USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 369 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 47 THR OG1 : rot -150:sc= 0 USER MOD Set 1.2: A 72 GLN : amide:sc= 0 X(o=0,f=0.056) USER MOD Set 2.1: A 45 CYS SG : rot 152:sc= -0.718 USER MOD Set 2.2: A 48 CYS SG : rot -64:sc= -4.07! USER MOD Set 2.3: A 65 CYS SG : rot -128:sc= 0.241 USER MOD Set 3.1: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 49 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 18 CYS SG : rot 163:sc= 1.32 USER MOD Set 4.2: A 21 CYS SG : rot -57:sc= -0.511 USER MOD Set 4.3: A 39 HIS : no HD1:sc= -0.195 X(o=-0.66,f=-1.1) USER MOD Set 4.4: A 42 CYS SG : rot 138:sc= -1.27 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= -0.0113 (180deg=-0.747) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.06 K(o=-0.06,f=-1.5!) USER MOD Single : A 41 SER OG : rot -46:sc= 0.821 USER MOD Single : A 46 GLN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -170:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -112:sc= -0.15 (180deg=-0.414) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.79 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.551 X(o=-0.55,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 218 N HIS A 17 -7.985 -9.261 -4.116 1.00 0.00 N ATOM 219 CA HIS A 17 -6.683 -9.914 -4.047 1.00 0.00 C ATOM 220 C HIS A 17 -5.836 -9.321 -2.924 1.00 0.00 C ATOM 221 O HIS A 17 -5.874 -8.116 -2.674 1.00 0.00 O ATOM 222 CB HIS A 17 -5.949 -9.776 -5.381 1.00 0.00 C ATOM 223 CG HIS A 17 -6.847 -9.896 -6.574 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.197 -8.820 -7.363 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.467 -10.972 -7.111 1.00 0.00 C ATOM 226 CE1 HIS A 17 -7.995 -9.230 -8.333 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.174 -10.532 -8.203 1.00 0.00 N ATOM 0 HA HIS A 17 -6.845 -10.971 -3.837 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.446 -8.810 -5.411 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.175 -10.541 -5.441 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.415 -11.988 -6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.427 -8.606 -9.102 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.745 -11.116 -8.814 1.00 0.00 H new ATOM 236 N CYS A 18 -5.074 -10.176 -2.250 1.00 0.00 N ATOM 237 CA CYS A 18 -4.220 -9.738 -1.153 1.00 0.00 C ATOM 238 C CYS A 18 -3.431 -8.491 -1.542 1.00 0.00 C ATOM 239 O CYS A 18 -2.805 -8.445 -2.601 1.00 0.00 O ATOM 240 CB CYS A 18 -3.258 -10.857 -0.750 1.00 0.00 C ATOM 241 SG CYS A 18 -2.108 -10.404 0.588 1.00 0.00 S ATOM 0 H CYS A 18 -5.031 -11.176 -2.445 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.859 -9.493 -0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.838 -11.725 -0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.681 -11.158 -1.624 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.590 -11.482 1.099 1.00 0.00 H new ATOM 246 N ALA A 19 -3.466 -7.482 -0.678 1.00 0.00 N ATOM 247 CA ALA A 19 -2.754 -6.235 -0.930 1.00 0.00 C ATOM 248 C ALA A 19 -1.291 -6.345 -0.512 1.00 0.00 C ATOM 249 O ALA A 19 -0.635 -5.339 -0.244 1.00 0.00 O ATOM 250 CB ALA A 19 -3.429 -5.084 -0.199 1.00 0.00 C ATOM 0 H ALA A 19 -3.980 -7.504 0.203 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.785 -6.037 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.886 -4.159 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.456 -4.984 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.428 -5.283 0.873 1.00 0.00 H new ATOM 256 N GLY A 20 -0.786 -7.574 -0.457 1.00 0.00 N ATOM 257 CA GLY A 20 0.595 -7.792 -0.070 1.00 0.00 C ATOM 258 C GLY A 20 1.331 -8.700 -1.034 1.00 0.00 C ATOM 259 O GLY A 20 2.506 -8.481 -1.332 1.00 0.00 O ATOM 0 H GLY A 20 -1.309 -8.422 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.109 -6.833 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.625 -8.227 0.929 1.00 0.00 H new ATOM 263 N CYS A 21 0.641 -9.725 -1.522 1.00 0.00 N ATOM 264 CA CYS A 21 1.236 -10.673 -2.457 1.00 0.00 C ATOM 265 C CYS A 21 0.439 -10.729 -3.757 1.00 0.00 C ATOM 266 O CYS A 21 0.830 -11.403 -4.710 1.00 0.00 O ATOM 267 CB CYS A 21 1.306 -12.066 -1.828 1.00 0.00 C ATOM 268 SG CYS A 21 -0.318 -12.768 -1.394 1.00 0.00 S ATOM 0 H CYS A 21 -0.332 -9.921 -1.285 1.00 0.00 H new ATOM 0 HA CYS A 21 2.246 -10.334 -2.686 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.808 -12.741 -2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.921 -12.017 -0.929 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.937 -11.962 -0.584 1.00 0.00 H new ATOM 273 N LYS A 22 -0.681 -10.015 -3.788 1.00 0.00 N ATOM 274 CA LYS A 22 -1.534 -9.980 -4.970 1.00 0.00 C ATOM 275 C LYS A 22 -2.048 -11.375 -5.311 1.00 0.00 C ATOM 276 O LYS A 22 -1.923 -11.832 -6.447 1.00 0.00 O ATOM 277 CB LYS A 22 -0.767 -9.403 -6.162 1.00 0.00 C ATOM 278 CG LYS A 22 -0.657 -7.888 -6.138 1.00 0.00 C ATOM 279 CD LYS A 22 -1.992 -7.228 -6.438 1.00 0.00 C ATOM 280 CE LYS A 22 -2.161 -6.961 -7.926 1.00 0.00 C ATOM 281 NZ LYS A 22 -2.774 -8.120 -8.632 1.00 0.00 N ATOM 0 H LYS A 22 -1.019 -9.452 -3.007 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.388 -9.340 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.235 -9.832 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.262 -9.709 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.301 -7.563 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.083 -7.564 -6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.802 -7.868 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.067 -6.290 -5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.785 -6.078 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.189 -6.739 -8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.268 -7.786 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.030 -8.793 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.453 -8.591 -8.001 1.00 0.00 H new ATOM 295 N GLU A 23 -2.628 -12.046 -4.320 1.00 0.00 N ATOM 296 CA GLU A 23 -3.162 -13.388 -4.517 1.00 0.00 C ATOM 297 C GLU A 23 -4.618 -13.467 -4.067 1.00 0.00 C ATOM 298 O GLU A 23 -4.966 -13.010 -2.979 1.00 0.00 O ATOM 299 CB GLU A 23 -2.323 -14.412 -3.750 1.00 0.00 C ATOM 300 CG GLU A 23 -0.991 -14.725 -4.410 1.00 0.00 C ATOM 301 CD GLU A 23 -1.146 -15.190 -5.845 1.00 0.00 C ATOM 302 OE1 GLU A 23 -2.211 -15.752 -6.174 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.203 -14.991 -6.639 1.00 0.00 O ATOM 0 H GLU A 23 -2.740 -11.682 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.117 -13.616 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.141 -14.038 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.894 -15.335 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.360 -13.836 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.477 -15.496 -3.836 1.00 0.00 H new ATOM 419 N LEU A 31 -7.686 -10.687 6.392 1.00 0.00 N ATOM 420 CA LEU A 31 -7.389 -9.719 7.443 1.00 0.00 C ATOM 421 C LEU A 31 -7.751 -8.306 7.001 1.00 0.00 C ATOM 422 O LEU A 31 -7.112 -7.738 6.114 1.00 0.00 O ATOM 423 CB LEU A 31 -5.907 -9.784 7.819 1.00 0.00 C ATOM 424 CG LEU A 31 -5.544 -9.259 9.208 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.123 -9.658 9.575 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.707 -7.747 9.266 1.00 0.00 C ATOM 0 HA LEU A 31 -7.991 -9.972 8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.580 -10.821 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.340 -9.219 7.079 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.224 -9.706 9.933 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.882 -9.276 10.567 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.039 -10.745 9.575 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.428 -9.240 8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.444 -7.391 10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.052 -7.282 8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.742 -7.484 9.048 1.00 0.00 H new ATOM 438 N LEU A 32 -8.779 -7.741 7.625 1.00 0.00 N ATOM 439 CA LEU A 32 -9.226 -6.392 7.297 1.00 0.00 C ATOM 440 C LEU A 32 -8.277 -5.348 7.876 1.00 0.00 C ATOM 441 O LEU A 32 -8.034 -5.317 9.082 1.00 0.00 O ATOM 442 CB LEU A 32 -10.642 -6.160 7.827 1.00 0.00 C ATOM 443 CG LEU A 32 -11.783 -6.538 6.881 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.719 -5.709 5.608 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.735 -8.024 6.556 1.00 0.00 C ATOM 0 H LEU A 32 -9.319 -8.196 8.361 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.229 -6.291 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.760 -6.726 8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.744 -5.106 8.084 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.729 -6.326 7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.539 -5.992 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.803 -4.651 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.769 -5.888 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.554 -8.276 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.785 -8.261 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.832 -8.601 7.476 1.00 0.00 H new ATOM 457 N ALA A 33 -7.744 -4.494 7.008 1.00 0.00 N ATOM 458 CA ALA A 33 -6.825 -3.446 7.434 1.00 0.00 C ATOM 459 C ALA A 33 -6.612 -2.419 6.327 1.00 0.00 C ATOM 460 O ALA A 33 -6.471 -2.774 5.156 1.00 0.00 O ATOM 461 CB ALA A 33 -5.495 -4.051 7.859 1.00 0.00 C ATOM 0 H ALA A 33 -7.933 -4.508 6.006 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.268 -2.934 8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.818 -3.257 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.657 -4.740 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.056 -4.590 7.020 1.00 0.00 H new ATOM 467 N LEU A 34 -6.591 -1.145 6.704 1.00 0.00 N ATOM 468 CA LEU A 34 -6.395 -0.066 5.743 1.00 0.00 C ATOM 469 C LEU A 34 -7.392 -0.174 4.593 1.00 0.00 C ATOM 470 O LEU A 34 -7.046 0.059 3.434 1.00 0.00 O ATOM 471 CB LEU A 34 -4.966 -0.093 5.198 1.00 0.00 C ATOM 472 CG LEU A 34 -3.876 0.405 6.148 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.542 -0.659 7.182 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.632 0.805 5.369 1.00 0.00 C ATOM 0 H LEU A 34 -6.707 -0.834 7.669 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.562 0.880 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.728 -1.117 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.933 0.510 4.291 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.251 1.285 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.765 -0.287 7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.434 -0.896 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.187 -1.558 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.867 1.157 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.255 -0.057 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.882 1.602 4.669 1.00 0.00 H new ATOM 486 N ASP A 35 -8.630 -0.527 4.921 1.00 0.00 N ATOM 487 CA ASP A 35 -9.678 -0.663 3.916 1.00 0.00 C ATOM 488 C ASP A 35 -9.246 -1.616 2.806 1.00 0.00 C ATOM 489 O ASP A 35 -9.722 -1.525 1.674 1.00 0.00 O ATOM 490 CB ASP A 35 -10.027 0.703 3.325 1.00 0.00 C ATOM 491 CG ASP A 35 -10.346 1.732 4.392 1.00 0.00 C ATOM 492 OD1 ASP A 35 -11.390 1.588 5.061 1.00 0.00 O ATOM 493 OD2 ASP A 35 -9.551 2.681 4.558 1.00 0.00 O ATOM 0 H ASP A 35 -8.932 -0.724 5.875 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.562 -1.077 4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.192 1.058 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.882 0.599 2.658 1.00 0.00 H new ATOM 498 N LYS A 36 -8.340 -2.530 3.137 1.00 0.00 N ATOM 499 CA LYS A 36 -7.843 -3.501 2.169 1.00 0.00 C ATOM 500 C LYS A 36 -7.956 -4.921 2.715 1.00 0.00 C ATOM 501 O LYS A 36 -8.430 -5.129 3.832 1.00 0.00 O ATOM 502 CB LYS A 36 -6.387 -3.195 1.811 1.00 0.00 C ATOM 503 CG LYS A 36 -6.235 -2.289 0.602 1.00 0.00 C ATOM 504 CD LYS A 36 -4.882 -1.597 0.590 1.00 0.00 C ATOM 505 CE LYS A 36 -4.780 -0.594 -0.548 1.00 0.00 C ATOM 506 NZ LYS A 36 -4.391 -1.246 -1.829 1.00 0.00 N ATOM 0 H LYS A 36 -7.935 -2.619 4.069 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.455 -3.427 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.902 -2.728 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.864 -4.132 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.353 -2.875 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.027 -1.541 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.724 -1.088 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.092 -2.342 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.738 -0.089 -0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.047 0.171 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.332 -0.529 -2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.465 -1.707 -1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.103 -1.959 -2.086 1.00 0.00 H new ATOM 520 N GLN A 37 -7.517 -5.892 1.922 1.00 0.00 N ATOM 521 CA GLN A 37 -7.569 -7.292 2.327 1.00 0.00 C ATOM 522 C GLN A 37 -6.187 -7.932 2.252 1.00 0.00 C ATOM 523 O GLN A 37 -5.602 -8.043 1.174 1.00 0.00 O ATOM 524 CB GLN A 37 -8.551 -8.064 1.445 1.00 0.00 C ATOM 525 CG GLN A 37 -10.010 -7.790 1.774 1.00 0.00 C ATOM 526 CD GLN A 37 -10.945 -8.835 1.196 1.00 0.00 C ATOM 527 OE1 GLN A 37 -10.563 -9.990 1.008 1.00 0.00 O ATOM 528 NE2 GLN A 37 -12.178 -8.433 0.910 1.00 0.00 N ATOM 0 H GLN A 37 -7.121 -5.736 0.995 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.912 -7.333 3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.368 -7.807 0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.358 -9.132 1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.134 -7.756 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.287 -6.808 1.390 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.452 -7.466 1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.851 -9.092 0.518 1.00 0.00 H new ATOM 537 N TRP A 38 -5.671 -8.350 3.402 1.00 0.00 N ATOM 538 CA TRP A 38 -4.357 -8.979 3.466 1.00 0.00 C ATOM 539 C TRP A 38 -4.446 -10.363 4.100 1.00 0.00 C ATOM 540 O TRP A 38 -5.398 -10.667 4.820 1.00 0.00 O ATOM 541 CB TRP A 38 -3.387 -8.102 4.259 1.00 0.00 C ATOM 542 CG TRP A 38 -3.540 -6.639 3.973 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.623 -5.857 4.259 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.580 -5.783 3.345 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.393 -4.567 3.846 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.147 -4.495 3.282 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.295 -5.979 2.830 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.473 -3.412 2.725 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.628 -4.903 2.278 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.217 -3.632 2.229 1.00 0.00 C ATOM 0 H TRP A 38 -6.142 -8.265 4.303 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.985 -9.090 2.447 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.540 -8.275 5.324 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.365 -8.405 4.031 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.527 -6.202 4.739 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.045 -3.789 3.944 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.832 -6.954 2.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.926 -2.432 2.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.365 -5.043 1.877 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.669 -2.811 1.791 1.00 0.00 H new ATOM 561 N HIS A 39 -3.448 -11.199 3.830 1.00 0.00 N ATOM 562 CA HIS A 39 -3.414 -12.551 4.376 1.00 0.00 C ATOM 563 C HIS A 39 -2.983 -12.535 5.839 1.00 0.00 C ATOM 564 O HIS A 39 -2.624 -11.489 6.380 1.00 0.00 O ATOM 565 CB HIS A 39 -2.463 -13.429 3.561 1.00 0.00 C ATOM 566 CG HIS A 39 -3.022 -13.849 2.237 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.248 -13.991 1.104 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.287 -14.159 1.868 1.00 0.00 C ATOM 569 CE1 HIS A 39 -3.013 -14.370 0.096 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.255 -14.479 0.533 1.00 0.00 N ATOM 0 H HIS A 39 -2.652 -10.964 3.237 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.420 -12.966 4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.532 -12.887 3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.216 -14.319 4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.159 -14.155 2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.680 -14.559 -0.914 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.059 -14.756 -0.030 1.00 0.00 H new ATOM 578 N VAL A 40 -3.023 -13.702 6.475 1.00 0.00 N ATOM 579 CA VAL A 40 -2.636 -13.822 7.876 1.00 0.00 C ATOM 580 C VAL A 40 -1.119 -13.805 8.031 1.00 0.00 C ATOM 581 O VAL A 40 -0.600 -13.664 9.138 1.00 0.00 O ATOM 582 CB VAL A 40 -3.191 -15.115 8.502 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.840 -15.186 9.981 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.696 -15.202 8.298 1.00 0.00 C ATOM 0 H VAL A 40 -3.319 -14.577 6.043 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.061 -12.964 8.397 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.730 -15.967 8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.240 -16.106 10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.756 -15.173 10.099 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.271 -14.329 10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.071 -16.122 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.177 -14.345 8.770 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.919 -15.201 7.231 1.00 0.00 H new ATOM 594 N SER A 41 -0.414 -13.951 6.913 1.00 0.00 N ATOM 595 CA SER A 41 1.044 -13.956 6.925 1.00 0.00 C ATOM 596 C SER A 41 1.598 -12.919 5.953 1.00 0.00 C ATOM 597 O SER A 41 2.753 -12.999 5.533 1.00 0.00 O ATOM 598 CB SER A 41 1.573 -15.345 6.563 1.00 0.00 C ATOM 599 OG SER A 41 2.982 -15.406 6.699 1.00 0.00 O ATOM 0 H SER A 41 -0.829 -14.067 5.988 1.00 0.00 H new ATOM 0 HA SER A 41 1.376 -13.700 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.110 -16.093 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.293 -15.589 5.538 1.00 0.00 H new ATOM 0 HG SER A 41 3.386 -14.617 6.280 1.00 0.00 H new ATOM 605 N CYS A 42 0.767 -11.945 5.599 1.00 0.00 N ATOM 606 CA CYS A 42 1.171 -10.891 4.676 1.00 0.00 C ATOM 607 C CYS A 42 1.074 -9.520 5.340 1.00 0.00 C ATOM 608 O CYS A 42 1.881 -8.630 5.072 1.00 0.00 O ATOM 609 CB CYS A 42 0.301 -10.924 3.418 1.00 0.00 C ATOM 610 SG CYS A 42 0.708 -12.276 2.267 1.00 0.00 S ATOM 0 H CYS A 42 -0.192 -11.863 5.938 1.00 0.00 H new ATOM 0 HA CYS A 42 2.210 -11.067 4.395 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.744 -11.016 3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.402 -9.973 2.895 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.390 -12.806 1.815 1.00 0.00 H new ATOM 615 N PHE A 43 0.080 -9.358 6.207 1.00 0.00 N ATOM 616 CA PHE A 43 -0.124 -8.096 6.909 1.00 0.00 C ATOM 617 C PHE A 43 0.960 -7.878 7.960 1.00 0.00 C ATOM 618 O PHE A 43 0.787 -8.225 9.129 1.00 0.00 O ATOM 619 CB PHE A 43 -1.504 -8.073 7.569 1.00 0.00 C ATOM 620 CG PHE A 43 -1.843 -6.754 8.203 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.874 -5.594 7.446 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.130 -6.675 9.557 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.186 -4.379 8.027 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.443 -5.463 10.142 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.470 -4.313 9.376 1.00 0.00 C ATOM 0 H PHE A 43 -0.597 -10.085 6.440 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.065 -7.288 6.179 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.260 -8.313 6.821 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.548 -8.854 8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.652 -5.639 6.390 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.109 -7.570 10.161 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.207 -3.482 7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.666 -5.414 11.198 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.713 -3.365 9.832 1.00 0.00 H new ATOM 635 N LYS A 44 2.078 -7.299 7.537 1.00 0.00 N ATOM 636 CA LYS A 44 3.191 -7.032 8.440 1.00 0.00 C ATOM 637 C LYS A 44 3.735 -5.622 8.231 1.00 0.00 C ATOM 638 O LYS A 44 3.403 -4.956 7.250 1.00 0.00 O ATOM 639 CB LYS A 44 4.307 -8.057 8.224 1.00 0.00 C ATOM 640 CG LYS A 44 4.651 -8.283 6.762 1.00 0.00 C ATOM 641 CD LYS A 44 5.782 -9.286 6.604 1.00 0.00 C ATOM 642 CE LYS A 44 5.773 -9.922 5.222 1.00 0.00 C ATOM 643 NZ LYS A 44 6.157 -8.949 4.162 1.00 0.00 N ATOM 0 H LYS A 44 2.238 -7.005 6.573 1.00 0.00 H new ATOM 0 HA LYS A 44 2.824 -7.113 9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.201 -7.725 8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.008 -9.006 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.769 -8.641 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.936 -7.336 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.737 -8.788 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.690 -10.062 7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.462 -10.767 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.779 -10.317 5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.139 -9.420 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.485 -8.155 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.115 -8.591 4.350 1.00 0.00 H new ATOM 657 N CYS A 45 4.573 -5.173 9.159 1.00 0.00 N ATOM 658 CA CYS A 45 5.164 -3.843 9.077 1.00 0.00 C ATOM 659 C CYS A 45 5.749 -3.592 7.690 1.00 0.00 C ATOM 660 O CYS A 45 5.881 -4.514 6.886 1.00 0.00 O ATOM 661 CB CYS A 45 6.253 -3.680 10.139 1.00 0.00 C ATOM 662 SG CYS A 45 6.771 -1.955 10.414 1.00 0.00 S ATOM 0 H CYS A 45 4.858 -5.711 9.977 1.00 0.00 H new ATOM 0 HA CYS A 45 4.377 -3.111 9.258 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.892 -4.094 11.080 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.123 -4.267 9.845 1.00 0.00 H new ATOM 0 HG CYS A 45 7.191 -1.818 11.637 1.00 0.00 H new ATOM 667 N GLN A 46 6.097 -2.338 7.419 1.00 0.00 N ATOM 668 CA GLN A 46 6.668 -1.967 6.129 1.00 0.00 C ATOM 669 C GLN A 46 8.152 -1.643 6.264 1.00 0.00 C ATOM 670 O GLN A 46 8.893 -1.654 5.280 1.00 0.00 O ATOM 671 CB GLN A 46 5.922 -0.765 5.546 1.00 0.00 C ATOM 672 CG GLN A 46 6.471 -0.301 4.206 1.00 0.00 C ATOM 673 CD GLN A 46 6.096 -1.229 3.069 1.00 0.00 C ATOM 674 OE1 GLN A 46 6.964 -1.766 2.378 1.00 0.00 O ATOM 675 NE2 GLN A 46 4.798 -1.425 2.867 1.00 0.00 N ATOM 0 H GLN A 46 5.994 -1.563 8.074 1.00 0.00 H new ATOM 0 HA GLN A 46 6.561 -2.816 5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.869 -1.023 5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.971 0.061 6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.097 0.700 3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.557 -0.229 4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.113 -0.960 3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.486 -2.040 2.116 1.00 0.00 H new ATOM 684 N THR A 47 8.582 -1.355 7.488 1.00 0.00 N ATOM 685 CA THR A 47 9.977 -1.026 7.751 1.00 0.00 C ATOM 686 C THR A 47 10.750 -2.251 8.228 1.00 0.00 C ATOM 687 O THR A 47 11.901 -2.458 7.845 1.00 0.00 O ATOM 688 CB THR A 47 10.102 0.088 8.807 1.00 0.00 C ATOM 689 OG1 THR A 47 9.527 1.302 8.309 1.00 0.00 O ATOM 690 CG2 THR A 47 11.560 0.325 9.173 1.00 0.00 C ATOM 0 H THR A 47 7.983 -1.343 8.314 1.00 0.00 H new ATOM 0 HA THR A 47 10.402 -0.675 6.811 1.00 0.00 H new ATOM 0 HB THR A 47 9.565 -0.228 9.702 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.990 2.070 8.705 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.624 1.116 9.920 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.987 -0.592 9.578 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.115 0.621 8.283 1.00 0.00 H new ATOM 698 N CYS A 48 10.109 -3.060 9.064 1.00 0.00 N ATOM 699 CA CYS A 48 10.735 -4.266 9.593 1.00 0.00 C ATOM 700 C CYS A 48 10.105 -5.517 8.989 1.00 0.00 C ATOM 701 O CYS A 48 10.711 -6.588 8.981 1.00 0.00 O ATOM 702 CB CYS A 48 10.610 -4.304 11.118 1.00 0.00 C ATOM 703 SG CYS A 48 8.901 -4.488 11.719 1.00 0.00 S ATOM 0 H CYS A 48 9.155 -2.902 9.390 1.00 0.00 H new ATOM 0 HA CYS A 48 11.790 -4.246 9.322 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.209 -5.130 11.501 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.032 -3.387 11.529 1.00 0.00 H new ATOM 0 HG CYS A 48 8.206 -3.444 11.378 1.00 0.00 H new ATOM 708 N SER A 49 8.884 -5.372 8.483 1.00 0.00 N ATOM 709 CA SER A 49 8.169 -6.491 7.880 1.00 0.00 C ATOM 710 C SER A 49 7.875 -7.571 8.917 1.00 0.00 C ATOM 711 O SER A 49 8.190 -8.744 8.715 1.00 0.00 O ATOM 712 CB SER A 49 8.983 -7.082 6.728 1.00 0.00 C ATOM 713 OG SER A 49 8.662 -6.451 5.500 1.00 0.00 O ATOM 0 H SER A 49 8.370 -4.491 8.479 1.00 0.00 H new ATOM 0 HA SER A 49 7.221 -6.118 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.047 -6.965 6.933 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.788 -8.152 6.652 1.00 0.00 H new ATOM 0 HG SER A 49 9.197 -6.846 4.780 1.00 0.00 H new ATOM 719 N VAL A 50 7.270 -7.166 10.029 1.00 0.00 N ATOM 720 CA VAL A 50 6.932 -8.097 11.098 1.00 0.00 C ATOM 721 C VAL A 50 5.428 -8.339 11.162 1.00 0.00 C ATOM 722 O VAL A 50 4.639 -7.395 11.198 1.00 0.00 O ATOM 723 CB VAL A 50 7.416 -7.581 12.466 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.623 -6.353 12.885 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.312 -8.677 13.516 1.00 0.00 C ATOM 0 H VAL A 50 7.004 -6.199 10.213 1.00 0.00 H new ATOM 0 HA VAL A 50 7.439 -9.035 10.872 1.00 0.00 H new ATOM 0 HB VAL A 50 8.464 -7.294 12.376 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.979 -6.003 13.854 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.754 -5.565 12.144 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.566 -6.610 12.958 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.658 -8.295 14.476 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.274 -8.998 13.606 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.929 -9.525 13.219 1.00 0.00 H new ATOM 735 N ILE A 51 5.038 -9.609 11.176 1.00 0.00 N ATOM 736 CA ILE A 51 3.629 -9.975 11.237 1.00 0.00 C ATOM 737 C ILE A 51 2.896 -9.162 12.298 1.00 0.00 C ATOM 738 O ILE A 51 3.284 -9.152 13.467 1.00 0.00 O ATOM 739 CB ILE A 51 3.448 -11.474 11.539 1.00 0.00 C ATOM 740 CG1 ILE A 51 4.115 -12.319 10.452 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.971 -11.817 11.654 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.423 -12.232 9.109 1.00 0.00 C ATOM 0 H ILE A 51 5.679 -10.402 11.146 1.00 0.00 H new ATOM 0 HA ILE A 51 3.204 -9.757 10.257 1.00 0.00 H new ATOM 0 HB ILE A 51 3.927 -11.698 12.492 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.151 -11.999 10.339 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.136 -13.360 10.774 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.860 -12.880 11.868 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.524 -11.236 12.461 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.469 -11.581 10.716 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.950 -12.856 8.387 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.395 -12.580 9.206 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.425 -11.198 8.765 1.00 0.00 H new ATOM 754 N LEU A 52 1.832 -8.482 11.885 1.00 0.00 N ATOM 755 CA LEU A 52 1.041 -7.666 12.800 1.00 0.00 C ATOM 756 C LEU A 52 -0.312 -8.313 13.075 1.00 0.00 C ATOM 757 O LEU A 52 -1.178 -8.363 12.201 1.00 0.00 O ATOM 758 CB LEU A 52 0.842 -6.264 12.223 1.00 0.00 C ATOM 759 CG LEU A 52 2.113 -5.517 11.818 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.792 -4.424 10.811 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.800 -4.932 13.044 1.00 0.00 C ATOM 0 H LEU A 52 1.497 -8.480 10.922 1.00 0.00 H new ATOM 0 HA LEU A 52 1.584 -7.590 13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.196 -6.341 11.348 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.310 -5.662 12.960 1.00 0.00 H new ATOM 0 HG LEU A 52 2.795 -6.226 11.348 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.709 -3.903 10.535 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.345 -4.868 9.922 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.092 -3.716 11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.703 -4.404 12.738 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.124 -4.237 13.543 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.065 -5.736 13.731 1.00 0.00 H new ATOM 773 N THR A 53 -0.490 -8.807 14.297 1.00 0.00 N ATOM 774 CA THR A 53 -1.738 -9.449 14.688 1.00 0.00 C ATOM 775 C THR A 53 -2.325 -8.796 15.934 1.00 0.00 C ATOM 776 O THR A 53 -3.537 -8.614 16.038 1.00 0.00 O ATOM 777 CB THR A 53 -1.536 -10.952 14.957 1.00 0.00 C ATOM 778 OG1 THR A 53 -0.576 -11.139 16.002 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.068 -11.669 13.699 1.00 0.00 C ATOM 0 H THR A 53 0.216 -8.774 15.033 1.00 0.00 H new ATOM 0 HA THR A 53 -2.431 -9.326 13.856 1.00 0.00 H new ATOM 0 HB THR A 53 -2.493 -11.375 15.263 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.455 -12.097 16.168 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.932 -12.729 13.914 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.814 -11.550 12.914 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.122 -11.242 13.367 1.00 0.00 H new ATOM 787 N GLY A 54 -1.457 -8.446 16.879 1.00 0.00 N ATOM 788 CA GLY A 54 -1.910 -7.817 18.105 1.00 0.00 C ATOM 789 C GLY A 54 -2.096 -6.320 17.955 1.00 0.00 C ATOM 790 O GLY A 54 -3.193 -5.852 17.652 1.00 0.00 O ATOM 0 H GLY A 54 -0.449 -8.587 16.817 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.853 -8.268 18.414 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.188 -8.013 18.898 1.00 0.00 H new ATOM 794 N GLU A 55 -1.021 -5.567 18.169 1.00 0.00 N ATOM 795 CA GLU A 55 -1.073 -4.114 18.057 1.00 0.00 C ATOM 796 C GLU A 55 -0.324 -3.637 16.816 1.00 0.00 C ATOM 797 O GLU A 55 0.762 -4.127 16.506 1.00 0.00 O ATOM 798 CB GLU A 55 -0.477 -3.463 19.307 1.00 0.00 C ATOM 799 CG GLU A 55 -1.323 -3.655 20.555 1.00 0.00 C ATOM 800 CD GLU A 55 -0.613 -3.202 21.816 1.00 0.00 C ATOM 801 OE1 GLU A 55 0.303 -3.920 22.271 1.00 0.00 O ATOM 802 OE2 GLU A 55 -0.972 -2.132 22.349 1.00 0.00 O ATOM 0 H GLU A 55 -0.105 -5.939 18.420 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.118 -3.819 17.965 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.516 -3.877 19.484 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.350 -2.396 19.125 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.254 -3.099 20.447 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.589 -4.708 20.651 1.00 0.00 H new ATOM 809 N TYR A 56 -0.913 -2.678 16.110 1.00 0.00 N ATOM 810 CA TYR A 56 -0.304 -2.135 14.901 1.00 0.00 C ATOM 811 C TYR A 56 -0.815 -0.726 14.619 1.00 0.00 C ATOM 812 O TYR A 56 -1.941 -0.379 14.977 1.00 0.00 O ATOM 813 CB TYR A 56 -0.595 -3.045 13.706 1.00 0.00 C ATOM 814 CG TYR A 56 -1.886 -2.712 12.992 1.00 0.00 C ATOM 815 CD1 TYR A 56 -1.931 -1.714 12.027 1.00 0.00 C ATOM 816 CD2 TYR A 56 -3.060 -3.396 13.282 1.00 0.00 C ATOM 817 CE1 TYR A 56 -3.108 -1.406 11.372 1.00 0.00 C ATOM 818 CE2 TYR A 56 -4.241 -3.095 12.632 1.00 0.00 C ATOM 819 CZ TYR A 56 -4.260 -2.099 11.678 1.00 0.00 C ATOM 820 OH TYR A 56 -5.434 -1.796 11.028 1.00 0.00 O ATOM 0 H TYR A 56 -1.811 -2.261 16.354 1.00 0.00 H new ATOM 0 HA TYR A 56 0.774 -2.086 15.058 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.231 -2.976 12.998 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.635 -4.079 14.049 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.030 -1.169 11.784 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.049 -4.176 14.028 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.125 -0.627 10.624 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.145 -3.637 12.869 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.151 -2.377 11.359 1.00 0.00 H new ATOM 830 N ILE A 57 0.020 0.081 13.973 1.00 0.00 N ATOM 831 CA ILE A 57 -0.347 1.452 13.640 1.00 0.00 C ATOM 832 C ILE A 57 -0.201 1.712 12.145 1.00 0.00 C ATOM 833 O ILE A 57 0.791 1.321 11.530 1.00 0.00 O ATOM 834 CB ILE A 57 0.513 2.468 14.413 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.806 1.953 15.824 1.00 0.00 C ATOM 836 CG2 ILE A 57 -0.186 3.818 14.471 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.033 2.576 16.452 1.00 0.00 C ATOM 0 H ILE A 57 0.955 -0.191 13.670 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.391 1.579 13.928 1.00 0.00 H new ATOM 0 HB ILE A 57 1.460 2.593 13.888 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.057 2.149 16.460 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.936 0.871 15.788 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.435 4.526 15.021 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.348 4.188 13.458 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.146 3.709 14.975 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.180 2.164 17.451 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.907 2.358 15.838 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.898 3.655 16.521 1.00 0.00 H new ATOM 849 N SER A 58 -1.196 2.377 11.566 1.00 0.00 N ATOM 850 CA SER A 58 -1.180 2.688 10.141 1.00 0.00 C ATOM 851 C SER A 58 -0.769 4.139 9.907 1.00 0.00 C ATOM 852 O SER A 58 -1.261 5.051 10.571 1.00 0.00 O ATOM 853 CB SER A 58 -2.557 2.431 9.526 1.00 0.00 C ATOM 854 OG SER A 58 -2.677 3.063 8.263 1.00 0.00 O ATOM 0 H SER A 58 -2.023 2.711 12.061 1.00 0.00 H new ATOM 0 HA SER A 58 -0.448 2.039 9.660 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.715 1.358 9.416 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.333 2.801 10.196 1.00 0.00 H new ATOM 0 HG SER A 58 -3.609 3.019 7.963 1.00 0.00 H new ATOM 860 N LYS A 59 0.137 4.344 8.957 1.00 0.00 N ATOM 861 CA LYS A 59 0.616 5.682 8.632 1.00 0.00 C ATOM 862 C LYS A 59 0.555 5.932 7.129 1.00 0.00 C ATOM 863 O LYS A 59 0.965 5.087 6.333 1.00 0.00 O ATOM 864 CB LYS A 59 2.050 5.869 9.133 1.00 0.00 C ATOM 865 CG LYS A 59 2.412 7.317 9.417 1.00 0.00 C ATOM 866 CD LYS A 59 2.886 8.029 8.161 1.00 0.00 C ATOM 867 CE LYS A 59 2.732 9.537 8.284 1.00 0.00 C ATOM 868 NZ LYS A 59 1.301 9.948 8.318 1.00 0.00 N ATOM 0 H LYS A 59 0.555 3.600 8.398 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.033 6.403 9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.187 5.284 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.740 5.470 8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.545 7.836 9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.194 7.356 10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.931 7.783 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.317 7.673 7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.230 9.880 9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.229 10.022 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.069 10.469 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.699 9.103 8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.135 10.559 9.143 1.00 0.00 H new ATOM 882 N ASP A 60 0.043 7.097 6.748 1.00 0.00 N ATOM 883 CA ASP A 60 -0.069 7.459 5.339 1.00 0.00 C ATOM 884 C ASP A 60 -0.475 6.252 4.499 1.00 0.00 C ATOM 885 O ASP A 60 -0.062 6.117 3.348 1.00 0.00 O ATOM 886 CB ASP A 60 1.256 8.028 4.830 1.00 0.00 C ATOM 887 CG ASP A 60 1.075 8.917 3.615 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.688 8.394 2.549 1.00 0.00 O ATOM 889 OD2 ASP A 60 1.319 10.136 3.731 1.00 0.00 O ATOM 0 H ASP A 60 -0.301 7.807 7.395 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.843 8.221 5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.733 8.599 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.928 7.207 4.579 1.00 0.00 H new ATOM 894 N GLY A 61 -1.286 5.375 5.084 1.00 0.00 N ATOM 895 CA GLY A 61 -1.733 4.190 4.375 1.00 0.00 C ATOM 896 C GLY A 61 -0.681 3.099 4.349 1.00 0.00 C ATOM 897 O GLY A 61 -0.518 2.407 3.344 1.00 0.00 O ATOM 0 H GLY A 61 -1.641 5.464 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.638 3.807 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.997 4.460 3.353 1.00 0.00 H new ATOM 901 N VAL A 62 0.037 2.945 5.457 1.00 0.00 N ATOM 902 CA VAL A 62 1.080 1.931 5.557 1.00 0.00 C ATOM 903 C VAL A 62 1.126 1.326 6.956 1.00 0.00 C ATOM 904 O VAL A 62 1.224 2.031 7.961 1.00 0.00 O ATOM 905 CB VAL A 62 2.464 2.513 5.216 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.521 1.419 5.222 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.427 3.222 3.870 1.00 0.00 C ATOM 0 H VAL A 62 -0.085 3.509 6.298 1.00 0.00 H new ATOM 0 HA VAL A 62 0.834 1.152 4.835 1.00 0.00 H new ATOM 0 HB VAL A 62 2.729 3.244 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.492 1.850 4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.565 0.961 6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.265 0.661 4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.414 3.627 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.140 2.513 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.701 4.034 3.906 1.00 0.00 H new ATOM 917 N PRO A 63 1.053 -0.011 7.025 1.00 0.00 N ATOM 918 CA PRO A 63 1.085 -0.741 8.296 1.00 0.00 C ATOM 919 C PRO A 63 2.455 -0.683 8.963 1.00 0.00 C ATOM 920 O PRO A 63 3.474 -0.971 8.335 1.00 0.00 O ATOM 921 CB PRO A 63 0.749 -2.178 7.888 1.00 0.00 C ATOM 922 CG PRO A 63 1.169 -2.275 6.462 1.00 0.00 C ATOM 923 CD PRO A 63 0.934 -0.914 5.868 1.00 0.00 C ATOM 0 HA PRO A 63 0.395 -0.318 9.027 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.281 -2.900 8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.315 -2.383 8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.218 -2.560 6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.592 -3.035 5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.669 -0.679 5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.049 -0.843 5.402 1.00 0.00 H new ATOM 931 N TYR A 64 2.472 -0.310 10.238 1.00 0.00 N ATOM 932 CA TYR A 64 3.717 -0.213 10.990 1.00 0.00 C ATOM 933 C TYR A 64 3.543 -0.754 12.405 1.00 0.00 C ATOM 934 O TYR A 64 2.443 -0.736 12.959 1.00 0.00 O ATOM 935 CB TYR A 64 4.194 1.239 11.042 1.00 0.00 C ATOM 936 CG TYR A 64 4.657 1.773 9.705 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.781 1.251 9.078 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.968 2.799 9.069 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.208 1.737 7.857 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.387 3.290 7.847 1.00 0.00 C ATOM 941 CZ TYR A 64 5.508 2.755 7.245 1.00 0.00 C ATOM 942 OH TYR A 64 5.929 3.241 6.028 1.00 0.00 O ATOM 0 H TYR A 64 1.637 -0.070 10.772 1.00 0.00 H new ATOM 0 HA TYR A 64 4.467 -0.817 10.480 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.383 1.866 11.413 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.012 1.319 11.758 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.331 0.452 9.553 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.091 3.220 9.538 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.086 1.321 7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.841 4.088 7.366 1.00 0.00 H new ATOM 0 HH TYR A 64 5.325 3.955 5.734 1.00 0.00 H new ATOM 952 N CYS A 65 4.637 -1.234 12.987 1.00 0.00 N ATOM 953 CA CYS A 65 4.608 -1.781 14.338 1.00 0.00 C ATOM 954 C CYS A 65 4.916 -0.699 15.369 1.00 0.00 C ATOM 955 O CYS A 65 5.376 0.388 15.023 1.00 0.00 O ATOM 956 CB CYS A 65 5.613 -2.927 14.469 1.00 0.00 C ATOM 957 SG CYS A 65 7.343 -2.434 14.188 1.00 0.00 S ATOM 0 H CYS A 65 5.555 -1.255 12.544 1.00 0.00 H new ATOM 0 HA CYS A 65 3.605 -2.164 14.527 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.527 -3.359 15.466 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.350 -3.710 13.758 1.00 0.00 H new ATOM 0 HG CYS A 65 7.879 -3.219 13.301 1.00 0.00 H new ATOM 962 N GLU A 66 4.660 -1.007 16.637 1.00 0.00 N ATOM 963 CA GLU A 66 4.910 -0.060 17.718 1.00 0.00 C ATOM 964 C GLU A 66 6.403 0.225 17.856 1.00 0.00 C ATOM 965 O GLU A 66 6.812 1.079 18.643 1.00 0.00 O ATOM 966 CB GLU A 66 4.359 -0.603 19.038 1.00 0.00 C ATOM 967 CG GLU A 66 2.888 -0.979 18.975 1.00 0.00 C ATOM 968 CD GLU A 66 2.192 -0.837 20.314 1.00 0.00 C ATOM 969 OE1 GLU A 66 1.668 0.261 20.596 1.00 0.00 O ATOM 970 OE2 GLU A 66 2.169 -1.823 21.079 1.00 0.00 O ATOM 0 H GLU A 66 4.280 -1.904 16.941 1.00 0.00 H new ATOM 0 HA GLU A 66 4.400 0.873 17.476 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.937 -1.480 19.330 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.501 0.146 19.817 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.387 -0.348 18.241 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.794 -2.008 18.628 1.00 0.00 H new ATOM 977 N SER A 67 7.212 -0.497 17.087 1.00 0.00 N ATOM 978 CA SER A 67 8.659 -0.325 17.126 1.00 0.00 C ATOM 979 C SER A 67 9.107 0.740 16.130 1.00 0.00 C ATOM 980 O SER A 67 9.515 1.835 16.516 1.00 0.00 O ATOM 981 CB SER A 67 9.360 -1.651 16.822 1.00 0.00 C ATOM 982 OG SER A 67 10.726 -1.604 17.196 1.00 0.00 O ATOM 0 H SER A 67 6.889 -1.207 16.429 1.00 0.00 H new ATOM 0 HA SER A 67 8.934 0.002 18.129 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.861 -2.460 17.356 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.279 -1.873 15.758 1.00 0.00 H new ATOM 0 HG SER A 67 11.151 -2.464 16.993 1.00 0.00 H new ATOM 988 N ASP A 68 9.028 0.410 14.845 1.00 0.00 N ATOM 989 CA ASP A 68 9.424 1.337 13.792 1.00 0.00 C ATOM 990 C ASP A 68 8.623 2.633 13.880 1.00 0.00 C ATOM 991 O ASP A 68 9.191 3.716 14.029 1.00 0.00 O ATOM 992 CB ASP A 68 9.228 0.695 12.418 1.00 0.00 C ATOM 993 CG ASP A 68 10.197 -0.445 12.168 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.351 -0.354 12.635 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.801 -1.426 11.505 1.00 0.00 O ATOM 0 H ASP A 68 8.693 -0.493 14.508 1.00 0.00 H new ATOM 0 HA ASP A 68 10.480 1.573 13.927 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.206 0.324 12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.355 1.453 11.645 1.00 0.00 H new ATOM 1000 N TYR A 69 7.304 2.515 13.784 1.00 0.00 N ATOM 1001 CA TYR A 69 6.426 3.677 13.849 1.00 0.00 C ATOM 1002 C TYR A 69 6.849 4.618 14.974 1.00 0.00 C ATOM 1003 O TYR A 69 7.079 5.807 14.751 1.00 0.00 O ATOM 1004 CB TYR A 69 4.976 3.236 14.057 1.00 0.00 C ATOM 1005 CG TYR A 69 3.980 4.370 13.969 1.00 0.00 C ATOM 1006 CD1 TYR A 69 3.905 5.334 14.967 1.00 0.00 C ATOM 1007 CD2 TYR A 69 3.114 4.479 12.888 1.00 0.00 C ATOM 1008 CE1 TYR A 69 2.996 6.372 14.892 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.202 5.513 12.804 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.147 6.457 13.808 1.00 0.00 C ATOM 1011 OH TYR A 69 1.241 7.490 13.728 1.00 0.00 O ATOM 0 H TYR A 69 6.819 1.626 13.661 1.00 0.00 H new ATOM 0 HA TYR A 69 6.504 4.213 12.903 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.723 2.483 13.311 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.886 2.760 15.033 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.569 5.271 15.816 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.155 3.742 12.099 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.950 7.112 15.677 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.536 5.582 11.957 1.00 0.00 H new ATOM 0 HH TYR A 69 0.720 7.405 12.903 1.00 0.00 H new ATOM 1021 N HIS A 70 6.951 4.075 16.183 1.00 0.00 N ATOM 1022 CA HIS A 70 7.348 4.864 17.344 1.00 0.00 C ATOM 1023 C HIS A 70 8.734 5.468 17.142 1.00 0.00 C ATOM 1024 O HIS A 70 9.087 6.462 17.775 1.00 0.00 O ATOM 1025 CB HIS A 70 7.334 3.998 18.604 1.00 0.00 C ATOM 1026 CG HIS A 70 5.963 3.777 19.164 1.00 0.00 C ATOM 1027 ND1 HIS A 70 5.698 3.750 20.517 1.00 0.00 N ATOM 1028 CD2 HIS A 70 4.776 3.574 18.546 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.408 3.537 20.706 1.00 0.00 C ATOM 1030 NE2 HIS A 70 3.826 3.428 19.526 1.00 0.00 N ATOM 0 H HIS A 70 6.764 3.093 16.384 1.00 0.00 H new ATOM 0 HA HIS A 70 6.631 5.677 17.463 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.784 3.032 18.376 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.957 4.468 19.365 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.608 3.534 17.480 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.913 3.464 21.663 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.832 3.262 19.368 1.00 0.00 H new ATOM 1039 N ALA A 71 9.516 4.859 16.257 1.00 0.00 N ATOM 1040 CA ALA A 71 10.863 5.337 15.971 1.00 0.00 C ATOM 1041 C ALA A 71 10.868 6.282 14.774 1.00 0.00 C ATOM 1042 O ALA A 71 11.782 7.091 14.615 1.00 0.00 O ATOM 1043 CB ALA A 71 11.799 4.163 15.722 1.00 0.00 C ATOM 0 H ALA A 71 9.240 4.033 15.726 1.00 0.00 H new ATOM 0 HA ALA A 71 11.216 5.891 16.840 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.801 4.535 15.510 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.828 3.527 16.607 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.439 3.585 14.871 1.00 0.00 H new ATOM 1049 N GLN A 72 9.842 6.173 13.936 1.00 0.00 N ATOM 1050 CA GLN A 72 9.730 7.018 12.753 1.00 0.00 C ATOM 1051 C GLN A 72 8.956 8.294 13.066 1.00 0.00 C ATOM 1052 O GLN A 72 9.470 9.400 12.902 1.00 0.00 O ATOM 1053 CB GLN A 72 9.043 6.255 11.619 1.00 0.00 C ATOM 1054 CG GLN A 72 10.013 5.549 10.685 1.00 0.00 C ATOM 1055 CD GLN A 72 9.359 5.105 9.391 1.00 0.00 C ATOM 1056 OE1 GLN A 72 9.568 5.708 8.338 1.00 0.00 O ATOM 1057 NE2 GLN A 72 8.561 4.046 9.464 1.00 0.00 N ATOM 0 H GLN A 72 9.077 5.509 14.054 1.00 0.00 H new ATOM 0 HA GLN A 72 10.736 7.294 12.438 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.363 5.519 12.048 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.436 6.951 11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.844 6.217 10.457 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.433 4.680 11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.417 3.577 10.358 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.093 3.702 8.626 1.00 0.00 H new ATOM 1066 N PHE A 73 7.716 8.132 13.518 1.00 0.00 N ATOM 1067 CA PHE A 73 6.870 9.271 13.853 1.00 0.00 C ATOM 1068 C PHE A 73 6.585 9.314 15.352 1.00 0.00 C ATOM 1069 O PHE A 73 5.617 9.932 15.793 1.00 0.00 O ATOM 1070 CB PHE A 73 5.555 9.202 13.074 1.00 0.00 C ATOM 1071 CG PHE A 73 5.726 8.773 11.645 1.00 0.00 C ATOM 1072 CD1 PHE A 73 5.931 7.439 11.329 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.680 9.702 10.619 1.00 0.00 C ATOM 1074 CE1 PHE A 73 6.090 7.042 10.015 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.837 9.310 9.302 1.00 0.00 C ATOM 1076 CZ PHE A 73 6.041 7.978 9.000 1.00 0.00 C ATOM 0 H PHE A 73 7.276 7.223 13.660 1.00 0.00 H new ATOM 0 HA PHE A 73 7.401 10.181 13.576 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.881 8.507 13.575 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.077 10.181 13.096 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.967 6.702 12.118 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.520 10.745 10.850 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.253 6.000 9.781 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.800 10.044 8.511 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.162 7.669 7.972 1.00 0.00 H new ATOM 1086 N GLY A 74 7.437 8.653 16.129 1.00 0.00 N ATOM 1087 CA GLY A 74 7.260 8.628 17.570 1.00 0.00 C ATOM 1088 C GLY A 74 8.510 9.053 18.315 1.00 0.00 C ATOM 1089 O GLY A 74 8.576 8.950 19.539 1.00 0.00 O ATOM 0 H GLY A 74 8.246 8.135 15.787 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.436 9.287 17.843 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.980 7.622 17.881 1.00 0.00 H new