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 -160:sc= 0 USER MOD Set 1.2: A 72 GLN : amide:sc= 0.059 X(o=0.059,f=0.083) USER MOD Set 2.1: A 45 CYS SG : rot -153:sc= -0.809 USER MOD Set 2.2: A 48 CYS SG : rot 166:sc= -4.02! USER MOD Set 2.3: A 65 CYS SG : rot -124:sc= 0.199 USER MOD Set 3.1: A 18 CYS SG : rot 156:sc= 0.88 USER MOD Set 3.2: A 21 CYS SG : rot -51:sc= -0.54 USER MOD Set 3.3: A 39 HIS : no HE2:sc= -0.363 X(o=-1.1,f=-1.4) USER MOD Set 3.4: A 42 CYS SG : rot -165:sc= -1.09 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.14) USER MOD Single : A 49 SER OG : rot 180:sc= 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 14:sc= 0.142! USER MOD Single : A 59 LYS NZ :NH3+ -103:sc= 1.91 (180deg=-0.489) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.583 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= -0.0453 X(o=-0.045,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 218 N HIS A 17 -8.127 -9.053 -3.904 1.00 0.00 N ATOM 219 CA HIS A 17 -6.788 -9.631 -3.920 1.00 0.00 C ATOM 220 C HIS A 17 -5.964 -9.124 -2.740 1.00 0.00 C ATOM 221 O HIS A 17 -6.200 -8.029 -2.229 1.00 0.00 O ATOM 222 CB HIS A 17 -6.081 -9.296 -5.233 1.00 0.00 C ATOM 223 CG HIS A 17 -6.983 -9.338 -6.427 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.445 -8.204 -7.063 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.508 -10.387 -7.104 1.00 0.00 C ATOM 226 CE1 HIS A 17 -8.216 -8.554 -8.077 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.271 -9.873 -8.124 1.00 0.00 N ATOM 0 HA HIS A 17 -6.885 -10.713 -3.835 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.641 -8.302 -5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.260 -9.997 -5.383 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.355 -11.433 -6.883 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.717 -7.877 -8.753 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.795 -10.421 -8.807 1.00 0.00 H new ATOM 236 N CYS A 18 -4.997 -9.928 -2.312 1.00 0.00 N ATOM 237 CA CYS A 18 -4.138 -9.563 -1.192 1.00 0.00 C ATOM 238 C CYS A 18 -3.311 -8.323 -1.522 1.00 0.00 C ATOM 239 O CYS A 18 -2.698 -8.239 -2.585 1.00 0.00 O ATOM 240 CB CYS A 18 -3.211 -10.726 -0.832 1.00 0.00 C ATOM 241 SG CYS A 18 -2.193 -10.434 0.650 1.00 0.00 S ATOM 0 H CYS A 18 -4.788 -10.837 -2.724 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.775 -9.337 -0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.813 -11.621 -0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.553 -10.928 -1.678 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.847 -11.574 1.170 1.00 0.00 H new ATOM 246 N ALA A 19 -3.301 -7.363 -0.603 1.00 0.00 N ATOM 247 CA ALA A 19 -2.548 -6.130 -0.794 1.00 0.00 C ATOM 248 C ALA A 19 -1.084 -6.315 -0.414 1.00 0.00 C ATOM 249 O ALA A 19 -0.373 -5.346 -0.152 1.00 0.00 O ATOM 250 CB ALA A 19 -3.168 -5.002 0.017 1.00 0.00 C ATOM 0 H ALA A 19 -3.806 -7.416 0.282 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.590 -5.868 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.595 -4.087 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.197 -4.844 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.157 -5.265 1.075 1.00 0.00 H new ATOM 256 N GLY A 20 -0.638 -7.568 -0.384 1.00 0.00 N ATOM 257 CA GLY A 20 0.740 -7.857 -0.033 1.00 0.00 C ATOM 258 C GLY A 20 1.428 -8.733 -1.061 1.00 0.00 C ATOM 259 O GLY A 20 2.611 -8.551 -1.350 1.00 0.00 O ATOM 0 H GLY A 20 -1.207 -8.388 -0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.290 -6.921 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.769 -8.351 0.938 1.00 0.00 H new ATOM 263 N CYS A 21 0.687 -9.688 -1.614 1.00 0.00 N ATOM 264 CA CYS A 21 1.233 -10.597 -2.614 1.00 0.00 C ATOM 265 C CYS A 21 0.363 -10.613 -3.868 1.00 0.00 C ATOM 266 O CYS A 21 0.618 -11.370 -4.804 1.00 0.00 O ATOM 267 CB CYS A 21 1.345 -12.011 -2.040 1.00 0.00 C ATOM 268 SG CYS A 21 -0.237 -12.708 -1.466 1.00 0.00 S ATOM 0 H CYS A 21 -0.294 -9.852 -1.386 1.00 0.00 H new ATOM 0 HA CYS A 21 2.227 -10.242 -2.887 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.764 -12.669 -2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.048 -11.999 -1.207 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.824 -11.859 -0.676 1.00 0.00 H new ATOM 273 N LYS A 22 -0.664 -9.770 -3.878 1.00 0.00 N ATOM 274 CA LYS A 22 -1.572 -9.684 -5.016 1.00 0.00 C ATOM 275 C LYS A 22 -2.124 -11.060 -5.377 1.00 0.00 C ATOM 276 O LYS A 22 -2.040 -11.489 -6.527 1.00 0.00 O ATOM 277 CB LYS A 22 -0.852 -9.079 -6.224 1.00 0.00 C ATOM 278 CG LYS A 22 -0.558 -7.596 -6.076 1.00 0.00 C ATOM 279 CD LYS A 22 -1.812 -6.758 -6.256 1.00 0.00 C ATOM 280 CE LYS A 22 -2.107 -6.505 -7.727 1.00 0.00 C ATOM 281 NZ LYS A 22 -3.107 -5.416 -7.912 1.00 0.00 N ATOM 0 H LYS A 22 -0.888 -9.136 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.405 -9.039 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.085 -9.613 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.461 -9.233 -7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.130 -7.406 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.189 -7.297 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.660 -7.266 -5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.692 -5.806 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.184 -6.242 -8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.478 -7.421 -8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.281 -5.274 -8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.997 -5.678 -7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.742 -4.535 -7.497 1.00 0.00 H new ATOM 295 N GLU A 23 -2.689 -11.744 -4.387 1.00 0.00 N ATOM 296 CA GLU A 23 -3.256 -13.070 -4.602 1.00 0.00 C ATOM 297 C GLU A 23 -4.712 -13.120 -4.148 1.00 0.00 C ATOM 298 O GLU A 23 -5.043 -12.687 -3.045 1.00 0.00 O ATOM 299 CB GLU A 23 -2.439 -14.125 -3.853 1.00 0.00 C ATOM 300 CG GLU A 23 -1.136 -14.490 -4.543 1.00 0.00 C ATOM 301 CD GLU A 23 -0.191 -15.256 -3.638 1.00 0.00 C ATOM 302 OE1 GLU A 23 -0.626 -16.261 -3.040 1.00 0.00 O ATOM 303 OE2 GLU A 23 0.985 -14.848 -3.528 1.00 0.00 O ATOM 0 H GLU A 23 -2.766 -11.402 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.220 -13.284 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.219 -13.757 -2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.043 -15.025 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.353 -15.090 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.645 -13.580 -4.888 1.00 0.00 H new ATOM 419 N LEU A 31 -7.530 -10.649 6.339 1.00 0.00 N ATOM 420 CA LEU A 31 -7.247 -9.743 7.447 1.00 0.00 C ATOM 421 C LEU A 31 -7.608 -8.307 7.081 1.00 0.00 C ATOM 422 O LEU A 31 -7.006 -7.712 6.186 1.00 0.00 O ATOM 423 CB LEU A 31 -5.770 -9.826 7.836 1.00 0.00 C ATOM 424 CG LEU A 31 -5.446 -9.548 9.304 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.047 -10.037 9.644 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.582 -8.063 9.608 1.00 0.00 C ATOM 0 HA LEU A 31 -7.858 -10.047 8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.405 -10.822 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.213 -9.119 7.221 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.159 -10.092 9.923 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.834 -9.830 10.693 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.983 -11.110 9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.319 -9.521 9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.348 -7.883 10.657 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.892 -7.498 8.980 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.604 -7.742 9.404 1.00 0.00 H new ATOM 438 N LEU A 32 -8.593 -7.753 7.781 1.00 0.00 N ATOM 439 CA LEU A 32 -9.033 -6.385 7.531 1.00 0.00 C ATOM 440 C LEU A 32 -8.028 -5.380 8.085 1.00 0.00 C ATOM 441 O LEU A 32 -7.733 -5.376 9.279 1.00 0.00 O ATOM 442 CB LEU A 32 -10.407 -6.148 8.160 1.00 0.00 C ATOM 443 CG LEU A 32 -11.614 -6.500 7.290 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.613 -5.669 6.016 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.618 -7.985 6.960 1.00 0.00 C ATOM 0 H LEU A 32 -9.101 -8.230 8.525 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.104 -6.243 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.467 -6.727 9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.480 -5.097 8.439 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.521 -6.270 7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.479 -5.933 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.658 -4.610 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.701 -5.867 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.484 -8.218 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.706 -8.240 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.667 -8.563 7.883 1.00 0.00 H new ATOM 457 N ALA A 33 -7.506 -4.528 7.208 1.00 0.00 N ATOM 458 CA ALA A 33 -6.538 -3.516 7.609 1.00 0.00 C ATOM 459 C ALA A 33 -6.363 -2.462 6.521 1.00 0.00 C ATOM 460 O ALA A 33 -6.227 -2.788 5.342 1.00 0.00 O ATOM 461 CB ALA A 33 -5.201 -4.165 7.937 1.00 0.00 C ATOM 0 H ALA A 33 -7.738 -4.519 6.215 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.918 -3.019 8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.487 -3.397 8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.332 -4.875 8.753 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.825 -4.688 7.058 1.00 0.00 H new ATOM 467 N LEU A 34 -6.367 -1.196 6.925 1.00 0.00 N ATOM 468 CA LEU A 34 -6.210 -0.092 5.984 1.00 0.00 C ATOM 469 C LEU A 34 -7.234 -0.187 4.857 1.00 0.00 C ATOM 470 O LEU A 34 -6.906 0.016 3.688 1.00 0.00 O ATOM 471 CB LEU A 34 -4.795 -0.089 5.403 1.00 0.00 C ATOM 472 CG LEU A 34 -3.677 0.328 6.360 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.256 -0.844 7.232 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.487 0.874 5.585 1.00 0.00 C ATOM 0 H LEU A 34 -6.477 -0.909 7.897 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.377 0.840 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.574 -1.090 5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.778 0.580 4.543 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.056 1.118 7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.460 -0.528 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.110 -1.189 7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.896 -1.656 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.702 1.166 6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.108 0.105 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.798 1.743 5.005 1.00 0.00 H new ATOM 486 N ASP A 35 -8.475 -0.494 5.217 1.00 0.00 N ATOM 487 CA ASP A 35 -9.548 -0.612 4.237 1.00 0.00 C ATOM 488 C ASP A 35 -9.151 -1.557 3.107 1.00 0.00 C ATOM 489 O ASP A 35 -9.651 -1.448 1.987 1.00 0.00 O ATOM 490 CB ASP A 35 -9.902 0.763 3.669 1.00 0.00 C ATOM 491 CG ASP A 35 -11.342 0.842 3.201 1.00 0.00 C ATOM 492 OD1 ASP A 35 -11.741 0.004 2.366 1.00 0.00 O ATOM 493 OD2 ASP A 35 -12.070 1.743 3.669 1.00 0.00 O ATOM 0 H ASP A 35 -8.763 -0.666 6.180 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.423 -1.024 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.728 1.523 4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.239 0.990 2.834 1.00 0.00 H new ATOM 498 N LYS A 36 -8.247 -2.483 3.407 1.00 0.00 N ATOM 499 CA LYS A 36 -7.781 -3.448 2.418 1.00 0.00 C ATOM 500 C LYS A 36 -7.879 -4.871 2.958 1.00 0.00 C ATOM 501 O LYS A 36 -8.301 -5.085 4.094 1.00 0.00 O ATOM 502 CB LYS A 36 -6.336 -3.141 2.018 1.00 0.00 C ATOM 503 CG LYS A 36 -6.221 -2.205 0.827 1.00 0.00 C ATOM 504 CD LYS A 36 -4.882 -1.485 0.812 1.00 0.00 C ATOM 505 CE LYS A 36 -4.873 -0.305 1.770 1.00 0.00 C ATOM 506 NZ LYS A 36 -3.742 0.624 1.495 1.00 0.00 N ATOM 0 H LYS A 36 -7.822 -2.586 4.328 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.420 -3.367 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.818 -2.698 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.826 -4.076 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.341 -2.772 -0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.028 -1.473 0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.090 -2.182 1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.666 -1.137 -0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.816 0.236 1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.803 -0.670 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.771 1.415 2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.841 0.114 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.823 0.992 0.526 1.00 0.00 H new ATOM 520 N GLN A 37 -7.486 -5.839 2.136 1.00 0.00 N ATOM 521 CA GLN A 37 -7.529 -7.241 2.532 1.00 0.00 C ATOM 522 C GLN A 37 -6.165 -7.900 2.354 1.00 0.00 C ATOM 523 O GLN A 37 -5.659 -8.009 1.237 1.00 0.00 O ATOM 524 CB GLN A 37 -8.581 -7.992 1.715 1.00 0.00 C ATOM 525 CG GLN A 37 -10.005 -7.752 2.189 1.00 0.00 C ATOM 526 CD GLN A 37 -11.041 -8.193 1.174 1.00 0.00 C ATOM 527 OE1 GLN A 37 -11.877 -7.401 0.737 1.00 0.00 O ATOM 528 NE2 GLN A 37 -10.992 -9.464 0.791 1.00 0.00 N ATOM 0 H GLN A 37 -7.134 -5.678 1.192 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.799 -7.285 3.587 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.499 -7.692 0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.368 -9.060 1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.167 -8.288 3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.139 -6.691 2.402 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.283 -10.086 1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.664 -9.818 0.110 1.00 0.00 H new ATOM 537 N TRP A 38 -5.575 -8.336 3.462 1.00 0.00 N ATOM 538 CA TRP A 38 -4.268 -8.983 3.427 1.00 0.00 C ATOM 539 C TRP A 38 -4.332 -10.371 4.056 1.00 0.00 C ATOM 540 O TRP A 38 -5.221 -10.659 4.858 1.00 0.00 O ATOM 541 CB TRP A 38 -3.233 -8.126 4.156 1.00 0.00 C ATOM 542 CG TRP A 38 -3.430 -6.654 3.953 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.537 -5.924 4.278 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.495 -5.736 3.378 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.347 -4.606 3.939 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.101 -4.464 3.386 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.204 -5.862 2.859 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.460 -3.331 2.894 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.568 -4.737 2.370 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.196 -3.484 2.391 1.00 0.00 C ATOM 0 H TRP A 38 -5.980 -8.253 4.394 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.970 -9.090 2.384 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.275 -8.347 5.223 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.236 -8.403 3.812 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.431 -6.324 4.734 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.024 -3.855 4.077 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.711 -6.823 2.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.943 -2.365 2.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.429 -4.825 1.965 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.673 -2.623 2.003 1.00 0.00 H new ATOM 561 N HIS A 39 -3.384 -11.227 3.688 1.00 0.00 N ATOM 562 CA HIS A 39 -3.333 -12.585 4.217 1.00 0.00 C ATOM 563 C HIS A 39 -2.848 -12.586 5.664 1.00 0.00 C ATOM 564 O HIS A 39 -2.377 -11.568 6.172 1.00 0.00 O ATOM 565 CB HIS A 39 -2.414 -13.455 3.359 1.00 0.00 C ATOM 566 CG HIS A 39 -3.016 -13.845 2.044 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.277 -13.977 0.888 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.295 -14.133 1.706 1.00 0.00 C ATOM 569 CE1 HIS A 39 -3.074 -14.328 -0.105 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.304 -14.430 0.365 1.00 0.00 N ATOM 0 H HIS A 39 -2.641 -11.004 3.026 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.342 -12.998 4.189 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.483 -12.918 3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.159 -14.357 3.914 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -1.271 -13.827 0.811 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.149 -14.130 2.367 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.771 -14.502 -1.127 1.00 0.00 H new ATOM 578 N VAL A 40 -2.967 -13.734 6.322 1.00 0.00 N ATOM 579 CA VAL A 40 -2.540 -13.868 7.710 1.00 0.00 C ATOM 580 C VAL A 40 -1.019 -13.877 7.819 1.00 0.00 C ATOM 581 O VAL A 40 -0.462 -13.631 8.889 1.00 0.00 O ATOM 582 CB VAL A 40 -3.098 -15.154 8.348 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.805 -15.181 9.840 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.592 -15.273 8.087 1.00 0.00 C ATOM 0 H VAL A 40 -3.356 -14.585 5.916 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.934 -13.005 8.247 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.603 -16.010 7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.207 -16.097 10.273 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.727 -15.146 10.000 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.271 -14.319 10.318 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.970 -16.187 8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.106 -14.413 8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.772 -15.304 7.012 1.00 0.00 H new ATOM 594 N SER A 41 -0.353 -14.164 6.705 1.00 0.00 N ATOM 595 CA SER A 41 1.104 -14.209 6.676 1.00 0.00 C ATOM 596 C SER A 41 1.662 -13.140 5.741 1.00 0.00 C ATOM 597 O SER A 41 2.806 -13.226 5.293 1.00 0.00 O ATOM 598 CB SER A 41 1.583 -15.592 6.231 1.00 0.00 C ATOM 599 OG SER A 41 1.047 -15.935 4.965 1.00 0.00 O ATOM 0 H SER A 41 -0.799 -14.369 5.811 1.00 0.00 H new ATOM 0 HA SER A 41 1.470 -14.012 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.672 -15.605 6.184 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.287 -16.338 6.969 1.00 0.00 H new ATOM 0 HG SER A 41 1.370 -16.822 4.703 1.00 0.00 H new ATOM 605 N CYS A 42 0.845 -12.133 5.451 1.00 0.00 N ATOM 606 CA CYS A 42 1.254 -11.046 4.569 1.00 0.00 C ATOM 607 C CYS A 42 1.150 -9.700 5.280 1.00 0.00 C ATOM 608 O CYS A 42 1.952 -8.797 5.044 1.00 0.00 O ATOM 609 CB CYS A 42 0.394 -11.035 3.305 1.00 0.00 C ATOM 610 SG CYS A 42 0.805 -12.351 2.114 1.00 0.00 S ATOM 0 H CYS A 42 -0.104 -12.047 5.814 1.00 0.00 H new ATOM 0 HA CYS A 42 2.295 -11.210 4.290 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.653 -11.132 3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.502 -10.068 2.813 1.00 0.00 H new ATOM 0 HG CYS A 42 0.255 -12.085 0.967 1.00 0.00 H new ATOM 615 N PHE A 43 0.155 -9.573 6.152 1.00 0.00 N ATOM 616 CA PHE A 43 -0.056 -8.338 6.898 1.00 0.00 C ATOM 617 C PHE A 43 1.032 -8.145 7.950 1.00 0.00 C ATOM 618 O PHE A 43 0.978 -8.732 9.032 1.00 0.00 O ATOM 619 CB PHE A 43 -1.432 -8.350 7.567 1.00 0.00 C ATOM 620 CG PHE A 43 -1.835 -7.018 8.132 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.858 -5.889 7.330 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.190 -6.895 9.466 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.229 -4.661 7.847 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.562 -5.671 9.988 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.581 -4.552 9.178 1.00 0.00 C ATOM 0 H PHE A 43 -0.518 -10.311 6.359 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.009 -7.506 6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.178 -8.668 6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.432 -9.090 8.367 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.583 -5.969 6.289 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.176 -7.766 10.105 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.243 -3.788 7.211 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.838 -5.589 11.029 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.870 -3.594 9.585 1.00 0.00 H new ATOM 635 N LYS A 44 2.021 -7.320 7.625 1.00 0.00 N ATOM 636 CA LYS A 44 3.123 -7.047 8.541 1.00 0.00 C ATOM 637 C LYS A 44 3.678 -5.643 8.322 1.00 0.00 C ATOM 638 O LYS A 44 3.296 -4.954 7.376 1.00 0.00 O ATOM 639 CB LYS A 44 4.236 -8.081 8.354 1.00 0.00 C ATOM 640 CG LYS A 44 4.540 -8.391 6.898 1.00 0.00 C ATOM 641 CD LYS A 44 5.681 -9.386 6.766 1.00 0.00 C ATOM 642 CE LYS A 44 5.691 -10.044 5.395 1.00 0.00 C ATOM 643 NZ LYS A 44 6.901 -10.889 5.194 1.00 0.00 N ATOM 0 H LYS A 44 2.082 -6.828 6.734 1.00 0.00 H new ATOM 0 HA LYS A 44 2.741 -7.113 9.560 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.143 -7.717 8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.953 -9.003 8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.648 -8.793 6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.797 -7.470 6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.630 -8.877 6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.589 -10.151 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.797 -10.657 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.652 -9.275 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.870 -11.320 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.754 -10.300 5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.925 -11.638 5.915 1.00 0.00 H new ATOM 657 N CYS A 45 4.581 -5.225 9.203 1.00 0.00 N ATOM 658 CA CYS A 45 5.189 -3.904 9.106 1.00 0.00 C ATOM 659 C CYS A 45 5.815 -3.692 7.731 1.00 0.00 C ATOM 660 O CYS A 45 5.984 -4.639 6.963 1.00 0.00 O ATOM 661 CB CYS A 45 6.249 -3.727 10.195 1.00 0.00 C ATOM 662 SG CYS A 45 6.806 -2.006 10.418 1.00 0.00 S ATOM 0 H CYS A 45 4.908 -5.783 9.992 1.00 0.00 H new ATOM 0 HA CYS A 45 4.405 -3.159 9.246 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.848 -4.093 11.140 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.111 -4.348 9.952 1.00 0.00 H new ATOM 0 HG CYS A 45 8.019 -2.000 10.885 1.00 0.00 H new ATOM 667 N GLN A 46 6.158 -2.444 7.429 1.00 0.00 N ATOM 668 CA GLN A 46 6.765 -2.109 6.146 1.00 0.00 C ATOM 669 C GLN A 46 8.242 -1.768 6.315 1.00 0.00 C ATOM 670 O GLN A 46 9.003 -1.759 5.348 1.00 0.00 O ATOM 671 CB GLN A 46 6.029 -0.933 5.502 1.00 0.00 C ATOM 672 CG GLN A 46 6.651 -0.469 4.194 1.00 0.00 C ATOM 673 CD GLN A 46 6.790 -1.590 3.184 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.895 -1.918 2.752 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.666 -2.185 2.801 1.00 0.00 N ATOM 0 H GLN A 46 6.026 -1.649 8.054 1.00 0.00 H new ATOM 0 HA GLN A 46 6.684 -2.980 5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.993 -1.219 5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.012 -0.098 6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.039 0.326 3.767 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.634 -0.042 4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.771 -1.881 3.185 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.697 -2.946 2.123 1.00 0.00 H new ATOM 684 N THR A 47 8.642 -1.488 7.552 1.00 0.00 N ATOM 685 CA THR A 47 10.027 -1.146 7.848 1.00 0.00 C ATOM 686 C THR A 47 10.789 -2.352 8.386 1.00 0.00 C ATOM 687 O THR A 47 11.953 -2.565 8.048 1.00 0.00 O ATOM 688 CB THR A 47 10.115 0.001 8.873 1.00 0.00 C ATOM 689 OG1 THR A 47 9.651 1.221 8.284 1.00 0.00 O ATOM 690 CG2 THR A 47 11.544 0.180 9.363 1.00 0.00 C ATOM 0 H THR A 47 8.026 -1.492 8.365 1.00 0.00 H new ATOM 0 HA THR A 47 10.480 -0.822 6.911 1.00 0.00 H new ATOM 0 HB THR A 47 9.485 -0.253 9.725 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.992 1.983 8.798 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.581 0.995 10.086 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.884 -0.741 9.837 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.192 0.414 8.518 1.00 0.00 H new ATOM 698 N CYS A 48 10.124 -3.140 9.224 1.00 0.00 N ATOM 699 CA CYS A 48 10.738 -4.326 9.809 1.00 0.00 C ATOM 700 C CYS A 48 10.133 -5.598 9.221 1.00 0.00 C ATOM 701 O CYS A 48 10.737 -6.669 9.277 1.00 0.00 O ATOM 702 CB CYS A 48 10.562 -4.320 11.329 1.00 0.00 C ATOM 703 SG CYS A 48 8.839 -4.535 11.879 1.00 0.00 S ATOM 0 H CYS A 48 9.159 -2.979 9.513 1.00 0.00 H new ATOM 0 HA CYS A 48 11.802 -4.308 9.573 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.171 -5.116 11.758 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.944 -3.379 11.724 1.00 0.00 H new ATOM 0 HG CYS A 48 8.820 -4.814 13.149 1.00 0.00 H new ATOM 708 N SER A 49 8.936 -5.471 8.657 1.00 0.00 N ATOM 709 CA SER A 49 8.247 -6.610 8.061 1.00 0.00 C ATOM 710 C SER A 49 7.917 -7.659 9.119 1.00 0.00 C ATOM 711 O SER A 49 8.285 -8.827 8.988 1.00 0.00 O ATOM 712 CB SER A 49 9.106 -7.233 6.959 1.00 0.00 C ATOM 713 OG SER A 49 8.866 -6.608 5.711 1.00 0.00 O ATOM 0 H SER A 49 8.423 -4.591 8.600 1.00 0.00 H new ATOM 0 HA SER A 49 7.314 -6.252 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.160 -7.140 7.219 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.889 -8.299 6.883 1.00 0.00 H new ATOM 0 HG SER A 49 9.428 -7.023 5.024 1.00 0.00 H new ATOM 719 N VAL A 50 7.221 -7.234 10.168 1.00 0.00 N ATOM 720 CA VAL A 50 6.839 -8.135 11.249 1.00 0.00 C ATOM 721 C VAL A 50 5.333 -8.372 11.261 1.00 0.00 C ATOM 722 O VAL A 50 4.546 -7.433 11.135 1.00 0.00 O ATOM 723 CB VAL A 50 7.272 -7.582 12.620 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.460 -6.347 12.979 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.134 -8.652 13.693 1.00 0.00 C ATOM 0 H VAL A 50 6.910 -6.271 10.293 1.00 0.00 H new ATOM 0 HA VAL A 50 7.351 -9.080 11.069 1.00 0.00 H new ATOM 0 HB VAL A 50 8.321 -7.292 12.561 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.780 -5.971 13.951 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.615 -5.577 12.223 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.402 -6.607 13.021 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.444 -8.244 14.655 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.095 -8.975 13.754 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.764 -9.504 13.440 1.00 0.00 H new ATOM 735 N ILE A 51 4.939 -9.632 11.414 1.00 0.00 N ATOM 736 CA ILE A 51 3.527 -9.991 11.445 1.00 0.00 C ATOM 737 C ILE A 51 2.777 -9.184 12.499 1.00 0.00 C ATOM 738 O ILE A 51 3.139 -9.190 13.676 1.00 0.00 O ATOM 739 CB ILE A 51 3.335 -11.492 11.732 1.00 0.00 C ATOM 740 CG1 ILE A 51 4.035 -12.332 10.661 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.854 -11.834 11.795 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.464 -12.141 9.274 1.00 0.00 C ATOM 0 H ILE A 51 5.578 -10.421 11.518 1.00 0.00 H new ATOM 0 HA ILE A 51 3.121 -9.762 10.459 1.00 0.00 H new ATOM 0 HB ILE A 51 3.783 -11.722 12.699 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.095 -12.078 10.647 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.963 -13.385 10.933 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.735 -12.898 11.998 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.381 -11.257 12.590 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.384 -11.592 10.842 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.009 -12.767 8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.411 -12.423 9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.560 -11.095 8.982 1.00 0.00 H new ATOM 754 N LEU A 52 1.728 -8.491 12.069 1.00 0.00 N ATOM 755 CA LEU A 52 0.924 -7.679 12.976 1.00 0.00 C ATOM 756 C LEU A 52 -0.462 -8.286 13.165 1.00 0.00 C ATOM 757 O LEU A 52 -1.277 -8.302 12.242 1.00 0.00 O ATOM 758 CB LEU A 52 0.800 -6.252 12.439 1.00 0.00 C ATOM 759 CG LEU A 52 2.114 -5.514 12.183 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.914 -4.405 11.161 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.671 -4.949 13.482 1.00 0.00 C ATOM 0 H LEU A 52 1.415 -8.475 11.099 1.00 0.00 H new ATOM 0 HA LEU A 52 1.425 -7.654 13.944 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.237 -6.284 11.506 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.211 -5.669 13.147 1.00 0.00 H new ATOM 0 HG LEU A 52 2.835 -6.226 11.781 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.860 -3.891 10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.561 -4.834 10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.177 -3.694 11.535 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.606 -4.427 13.280 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.952 -4.252 13.913 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.854 -5.763 14.184 1.00 0.00 H new ATOM 773 N THR A 53 -0.725 -8.783 14.370 1.00 0.00 N ATOM 774 CA THR A 53 -2.013 -9.390 14.682 1.00 0.00 C ATOM 775 C THR A 53 -2.635 -8.753 15.919 1.00 0.00 C ATOM 776 O THR A 53 -3.837 -8.494 15.958 1.00 0.00 O ATOM 777 CB THR A 53 -1.878 -10.907 14.912 1.00 0.00 C ATOM 778 OG1 THR A 53 -0.880 -11.165 15.906 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.510 -11.619 13.619 1.00 0.00 C ATOM 0 H THR A 53 -0.063 -8.777 15.146 1.00 0.00 H new ATOM 0 HA THR A 53 -2.661 -9.217 13.823 1.00 0.00 H new ATOM 0 HB THR A 53 -2.840 -11.287 15.257 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.802 -12.132 16.048 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.420 -12.689 13.806 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.286 -11.445 12.874 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.560 -11.234 13.249 1.00 0.00 H new ATOM 787 N GLY A 54 -1.808 -8.503 16.930 1.00 0.00 N ATOM 788 CA GLY A 54 -2.297 -7.898 18.155 1.00 0.00 C ATOM 789 C GLY A 54 -2.465 -6.396 18.034 1.00 0.00 C ATOM 790 O GLY A 54 -3.578 -5.903 17.853 1.00 0.00 O ATOM 0 H GLY A 54 -0.809 -8.709 16.922 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.254 -8.347 18.421 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.604 -8.119 18.967 1.00 0.00 H new ATOM 794 N GLU A 55 -1.357 -5.668 18.134 1.00 0.00 N ATOM 795 CA GLU A 55 -1.389 -4.213 18.036 1.00 0.00 C ATOM 796 C GLU A 55 -0.537 -3.728 16.867 1.00 0.00 C ATOM 797 O GLU A 55 0.486 -4.329 16.538 1.00 0.00 O ATOM 798 CB GLU A 55 -0.894 -3.581 19.339 1.00 0.00 C ATOM 799 CG GLU A 55 -1.904 -3.650 20.471 1.00 0.00 C ATOM 800 CD GLU A 55 -1.341 -3.148 21.787 1.00 0.00 C ATOM 801 OE1 GLU A 55 -1.013 -1.946 21.872 1.00 0.00 O ATOM 802 OE2 GLU A 55 -1.229 -3.958 22.731 1.00 0.00 O ATOM 0 H GLU A 55 -0.428 -6.061 18.283 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.421 -3.909 17.862 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.023 -4.082 19.650 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.640 -2.537 19.153 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.781 -3.060 20.207 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.238 -4.680 20.593 1.00 0.00 H new ATOM 809 N TYR A 56 -0.968 -2.638 16.242 1.00 0.00 N ATOM 810 CA TYR A 56 -0.247 -2.073 15.107 1.00 0.00 C ATOM 811 C TYR A 56 -0.747 -0.667 14.790 1.00 0.00 C ATOM 812 O TYR A 56 -1.796 -0.244 15.277 1.00 0.00 O ATOM 813 CB TYR A 56 -0.404 -2.971 13.878 1.00 0.00 C ATOM 814 CG TYR A 56 -1.655 -2.688 13.077 1.00 0.00 C ATOM 815 CD1 TYR A 56 -2.863 -3.292 13.402 1.00 0.00 C ATOM 816 CD2 TYR A 56 -1.628 -1.818 11.994 1.00 0.00 C ATOM 817 CE1 TYR A 56 -4.008 -3.038 12.673 1.00 0.00 C ATOM 818 CE2 TYR A 56 -2.769 -1.556 11.260 1.00 0.00 C ATOM 819 CZ TYR A 56 -3.956 -2.169 11.603 1.00 0.00 C ATOM 820 OH TYR A 56 -5.094 -1.912 10.873 1.00 0.00 O ATOM 0 H TYR A 56 -1.812 -2.128 16.502 1.00 0.00 H new ATOM 0 HA TYR A 56 0.808 -2.013 15.373 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.466 -2.846 13.233 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.416 -4.013 14.199 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.907 -3.972 14.240 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.700 -1.338 11.721 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.939 -3.517 12.939 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.732 -0.875 10.423 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.886 -1.278 10.155 1.00 0.00 H new ATOM 830 N ILE A 57 0.011 0.052 13.969 1.00 0.00 N ATOM 831 CA ILE A 57 -0.355 1.410 13.585 1.00 0.00 C ATOM 832 C ILE A 57 -0.241 1.604 12.076 1.00 0.00 C ATOM 833 O ILE A 57 0.725 1.161 11.454 1.00 0.00 O ATOM 834 CB ILE A 57 0.530 2.453 14.293 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.806 2.024 15.735 1.00 0.00 C ATOM 836 CG2 ILE A 57 -0.135 3.821 14.260 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.018 2.694 16.343 1.00 0.00 C ATOM 0 H ILE A 57 0.882 -0.283 13.557 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.391 1.556 13.891 1.00 0.00 H new ATOM 0 HB ILE A 57 1.481 2.520 13.765 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.068 2.249 16.346 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.946 0.943 15.764 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.502 4.548 14.764 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.286 4.127 13.225 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.098 3.770 14.767 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.153 2.343 17.366 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.903 2.449 15.755 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.873 3.774 16.347 1.00 0.00 H new ATOM 849 N SER A 58 -1.233 2.271 11.495 1.00 0.00 N ATOM 850 CA SER A 58 -1.245 2.522 10.058 1.00 0.00 C ATOM 851 C SER A 58 -0.912 3.981 9.759 1.00 0.00 C ATOM 852 O SER A 58 -1.517 4.896 10.319 1.00 0.00 O ATOM 853 CB SER A 58 -2.612 2.169 9.469 1.00 0.00 C ATOM 854 OG SER A 58 -3.571 3.168 9.769 1.00 0.00 O ATOM 0 H SER A 58 -2.038 2.647 11.996 1.00 0.00 H new ATOM 0 HA SER A 58 -0.485 1.891 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.527 2.055 8.388 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.945 1.210 9.865 1.00 0.00 H new ATOM 0 HG SER A 58 -3.115 3.974 10.090 1.00 0.00 H new ATOM 860 N LYS A 59 0.055 4.190 8.873 1.00 0.00 N ATOM 861 CA LYS A 59 0.470 5.536 8.496 1.00 0.00 C ATOM 862 C LYS A 59 0.434 5.713 6.981 1.00 0.00 C ATOM 863 O LYS A 59 0.882 4.843 6.234 1.00 0.00 O ATOM 864 CB LYS A 59 1.879 5.823 9.020 1.00 0.00 C ATOM 865 CG LYS A 59 2.116 7.284 9.363 1.00 0.00 C ATOM 866 CD LYS A 59 2.437 8.102 8.123 1.00 0.00 C ATOM 867 CE LYS A 59 1.968 9.542 8.269 1.00 0.00 C ATOM 868 NZ LYS A 59 3.004 10.400 8.908 1.00 0.00 N ATOM 0 H LYS A 59 0.567 3.444 8.402 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.229 6.243 8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.058 5.217 9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.606 5.512 8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.231 7.693 9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.937 7.363 10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.512 8.085 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.960 7.649 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.718 9.944 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.056 9.568 8.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.750 10.569 9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.927 9.922 8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.060 11.309 8.406 1.00 0.00 H new ATOM 882 N ASP A 60 -0.100 6.845 6.535 1.00 0.00 N ATOM 883 CA ASP A 60 -0.192 7.137 5.110 1.00 0.00 C ATOM 884 C ASP A 60 -0.621 5.899 4.328 1.00 0.00 C ATOM 885 O ASP A 60 -0.281 5.744 3.156 1.00 0.00 O ATOM 886 CB ASP A 60 1.150 7.648 4.584 1.00 0.00 C ATOM 887 CG ASP A 60 1.056 8.168 3.163 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.247 9.087 2.921 1.00 0.00 O ATOM 889 OD2 ASP A 60 1.791 7.655 2.293 1.00 0.00 O ATOM 0 H ASP A 60 -0.476 7.575 7.140 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.946 7.912 4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.513 8.443 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.883 6.843 4.625 1.00 0.00 H new ATOM 894 N GLY A 61 -1.369 5.019 4.986 1.00 0.00 N ATOM 895 CA GLY A 61 -1.831 3.805 4.338 1.00 0.00 C ATOM 896 C GLY A 61 -0.784 2.709 4.346 1.00 0.00 C ATOM 897 O GLY A 61 -0.680 1.933 3.397 1.00 0.00 O ATOM 0 H GLY A 61 -1.664 5.125 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.730 3.448 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.109 4.030 3.308 1.00 0.00 H new ATOM 901 N VAL A 62 -0.004 2.646 5.421 1.00 0.00 N ATOM 902 CA VAL A 62 1.041 1.638 5.549 1.00 0.00 C ATOM 903 C VAL A 62 1.112 1.097 6.973 1.00 0.00 C ATOM 904 O VAL A 62 1.179 1.849 7.946 1.00 0.00 O ATOM 905 CB VAL A 62 2.419 2.204 5.157 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.468 1.103 5.157 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.348 2.884 3.798 1.00 0.00 C ATOM 0 H VAL A 62 -0.077 3.281 6.216 1.00 0.00 H new ATOM 0 HA VAL A 62 0.783 0.827 4.868 1.00 0.00 H new ATOM 0 HB VAL A 62 2.710 2.950 5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.435 1.522 4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.536 0.665 6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.186 0.332 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.330 3.278 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.035 2.161 3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.628 3.701 3.837 1.00 0.00 H new ATOM 917 N PRO A 63 1.098 -0.238 7.100 1.00 0.00 N ATOM 918 CA PRO A 63 1.161 -0.909 8.402 1.00 0.00 C ATOM 919 C PRO A 63 2.526 -0.762 9.064 1.00 0.00 C ATOM 920 O PRO A 63 3.560 -0.982 8.433 1.00 0.00 O ATOM 921 CB PRO A 63 0.888 -2.376 8.058 1.00 0.00 C ATOM 922 CG PRO A 63 1.313 -2.517 6.637 1.00 0.00 C ATOM 923 CD PRO A 63 1.019 -1.195 5.984 1.00 0.00 C ATOM 0 HA PRO A 63 0.453 -0.485 9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.450 -3.046 8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.167 -2.622 8.182 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.374 -2.759 6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.770 -3.324 6.146 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.743 -0.963 5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.034 -1.188 5.517 1.00 0.00 H new ATOM 931 N TYR A 64 2.523 -0.390 10.339 1.00 0.00 N ATOM 932 CA TYR A 64 3.763 -0.212 11.087 1.00 0.00 C ATOM 933 C TYR A 64 3.597 -0.671 12.532 1.00 0.00 C ATOM 934 O TYR A 64 2.534 -0.505 13.131 1.00 0.00 O ATOM 935 CB TYR A 64 4.198 1.254 11.051 1.00 0.00 C ATOM 936 CG TYR A 64 4.640 1.721 9.683 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.759 1.173 9.068 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.938 2.710 9.005 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.168 1.598 7.819 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.338 3.140 7.754 1.00 0.00 C ATOM 941 CZ TYR A 64 5.454 2.581 7.165 1.00 0.00 C ATOM 942 OH TYR A 64 5.856 3.006 5.920 1.00 0.00 O ATOM 0 H TYR A 64 1.676 -0.206 10.877 1.00 0.00 H new ATOM 0 HA TYR A 64 4.533 -0.824 10.617 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.371 1.878 11.389 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.016 1.399 11.757 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.319 0.401 9.575 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.065 3.150 9.463 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.042 1.163 7.357 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.780 3.909 7.240 1.00 0.00 H new ATOM 0 HH TYR A 64 5.245 3.701 5.599 1.00 0.00 H new ATOM 952 N CYS A 65 4.658 -1.248 13.088 1.00 0.00 N ATOM 953 CA CYS A 65 4.633 -1.731 14.463 1.00 0.00 C ATOM 954 C CYS A 65 4.948 -0.603 15.441 1.00 0.00 C ATOM 955 O CYS A 65 5.436 0.455 15.047 1.00 0.00 O ATOM 956 CB CYS A 65 5.637 -2.872 14.643 1.00 0.00 C ATOM 957 SG CYS A 65 7.365 -2.400 14.315 1.00 0.00 S ATOM 0 H CYS A 65 5.546 -1.392 12.607 1.00 0.00 H new ATOM 0 HA CYS A 65 3.630 -2.102 14.674 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.562 -3.250 15.663 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.363 -3.691 13.978 1.00 0.00 H new ATOM 0 HG CYS A 65 7.865 -3.186 13.409 1.00 0.00 H new ATOM 962 N GLU A 66 4.665 -0.839 16.719 1.00 0.00 N ATOM 963 CA GLU A 66 4.918 0.157 17.753 1.00 0.00 C ATOM 964 C GLU A 66 6.409 0.460 17.864 1.00 0.00 C ATOM 965 O GLU A 66 6.817 1.363 18.594 1.00 0.00 O ATOM 966 CB GLU A 66 4.383 -0.329 19.102 1.00 0.00 C ATOM 967 CG GLU A 66 2.932 -0.777 19.055 1.00 0.00 C ATOM 968 CD GLU A 66 2.213 -0.564 20.373 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.866 -0.679 21.431 1.00 0.00 O ATOM 970 OE2 GLU A 66 0.996 -0.283 20.346 1.00 0.00 O ATOM 0 H GLU A 66 4.261 -1.710 17.062 1.00 0.00 H new ATOM 0 HA GLU A 66 4.399 1.074 17.473 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.999 -1.158 19.451 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.484 0.473 19.834 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.412 -0.230 18.269 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.890 -1.833 18.789 1.00 0.00 H new ATOM 977 N SER A 67 7.218 -0.302 17.135 1.00 0.00 N ATOM 978 CA SER A 67 8.664 -0.119 17.154 1.00 0.00 C ATOM 979 C SER A 67 9.096 0.906 16.110 1.00 0.00 C ATOM 980 O SER A 67 9.509 2.016 16.448 1.00 0.00 O ATOM 981 CB SER A 67 9.371 -1.452 16.899 1.00 0.00 C ATOM 982 OG SER A 67 10.730 -1.392 17.296 1.00 0.00 O ATOM 0 H SER A 67 6.896 -1.052 16.524 1.00 0.00 H new ATOM 0 HA SER A 67 8.946 0.251 18.140 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.864 -2.247 17.446 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.309 -1.704 15.840 1.00 0.00 H new ATOM 0 HG SER A 67 11.159 -2.256 17.125 1.00 0.00 H new ATOM 988 N ASP A 68 8.997 0.527 14.841 1.00 0.00 N ATOM 989 CA ASP A 68 9.376 1.413 13.746 1.00 0.00 C ATOM 990 C ASP A 68 8.569 2.707 13.790 1.00 0.00 C ATOM 991 O ASP A 68 9.131 3.798 13.882 1.00 0.00 O ATOM 992 CB ASP A 68 9.170 0.714 12.402 1.00 0.00 C ATOM 993 CG ASP A 68 10.133 -0.439 12.195 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.280 -0.347 12.679 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.740 -1.432 11.547 1.00 0.00 O ATOM 0 H ASP A 68 8.657 -0.388 14.545 1.00 0.00 H new ATOM 0 HA ASP A 68 10.431 1.660 13.860 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.147 0.344 12.341 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.296 1.438 11.596 1.00 0.00 H new ATOM 1000 N TYR A 69 7.249 2.577 13.723 1.00 0.00 N ATOM 1001 CA TYR A 69 6.364 3.736 13.751 1.00 0.00 C ATOM 1002 C TYR A 69 6.816 4.740 14.807 1.00 0.00 C ATOM 1003 O TYR A 69 7.075 5.905 14.502 1.00 0.00 O ATOM 1004 CB TYR A 69 4.925 3.298 14.030 1.00 0.00 C ATOM 1005 CG TYR A 69 3.920 4.423 13.925 1.00 0.00 C ATOM 1006 CD1 TYR A 69 3.901 5.454 14.856 1.00 0.00 C ATOM 1007 CD2 TYR A 69 2.988 4.454 12.894 1.00 0.00 C ATOM 1008 CE1 TYR A 69 2.984 6.483 14.764 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.068 5.480 12.794 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.070 6.491 13.731 1.00 0.00 C ATOM 1011 OH TYR A 69 1.155 7.515 13.636 1.00 0.00 O ATOM 0 H TYR A 69 6.768 1.681 13.649 1.00 0.00 H new ATOM 0 HA TYR A 69 6.407 4.219 12.775 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.651 2.510 13.328 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.872 2.867 15.030 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.616 5.451 15.666 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.983 3.663 12.159 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.983 7.277 15.497 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.351 5.490 11.986 1.00 0.00 H new ATOM 0 HH TYR A 69 0.584 7.372 12.852 1.00 0.00 H new ATOM 1021 N HIS A 70 6.909 4.280 16.050 1.00 0.00 N ATOM 1022 CA HIS A 70 7.331 5.137 17.153 1.00 0.00 C ATOM 1023 C HIS A 70 8.713 5.726 16.885 1.00 0.00 C ATOM 1024 O HIS A 70 9.065 6.776 17.422 1.00 0.00 O ATOM 1025 CB HIS A 70 7.345 4.349 18.463 1.00 0.00 C ATOM 1026 CG HIS A 70 6.001 4.245 19.114 1.00 0.00 C ATOM 1027 ND1 HIS A 70 5.756 4.656 20.407 1.00 0.00 N ATOM 1028 CD2 HIS A 70 4.823 3.773 18.642 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.487 4.441 20.703 1.00 0.00 C ATOM 1030 NE2 HIS A 70 3.898 3.906 19.648 1.00 0.00 N ATOM 0 H HIS A 70 6.698 3.319 16.319 1.00 0.00 H new ATOM 0 HA HIS A 70 6.616 5.956 17.238 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.724 3.346 18.270 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.039 4.824 19.156 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.644 3.367 17.657 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.012 4.664 21.647 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.916 3.636 19.590 1.00 0.00 H new ATOM 1039 N ALA A 71 9.491 5.043 16.052 1.00 0.00 N ATOM 1040 CA ALA A 71 10.832 5.500 15.712 1.00 0.00 C ATOM 1041 C ALA A 71 10.823 6.327 14.431 1.00 0.00 C ATOM 1042 O ALA A 71 11.767 7.066 14.152 1.00 0.00 O ATOM 1043 CB ALA A 71 11.773 4.312 15.569 1.00 0.00 C ATOM 0 H ALA A 71 9.215 4.171 15.600 1.00 0.00 H new ATOM 0 HA ALA A 71 11.188 6.137 16.521 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.772 4.667 15.315 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.812 3.763 16.510 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.410 3.654 14.780 1.00 0.00 H new ATOM 1049 N GLN A 72 9.752 6.196 13.655 1.00 0.00 N ATOM 1050 CA GLN A 72 9.621 6.932 12.403 1.00 0.00 C ATOM 1051 C GLN A 72 8.814 8.210 12.604 1.00 0.00 C ATOM 1052 O GLN A 72 9.319 9.314 12.397 1.00 0.00 O ATOM 1053 CB GLN A 72 8.956 6.056 11.340 1.00 0.00 C ATOM 1054 CG GLN A 72 9.945 5.296 10.471 1.00 0.00 C ATOM 1055 CD GLN A 72 9.311 4.749 9.207 1.00 0.00 C ATOM 1056 OE1 GLN A 72 9.687 5.125 8.097 1.00 0.00 O ATOM 1057 NE2 GLN A 72 8.343 3.854 9.370 1.00 0.00 N ATOM 0 H GLN A 72 8.963 5.587 13.871 1.00 0.00 H new ATOM 0 HA GLN A 72 10.621 7.206 12.065 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.294 5.343 11.831 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.332 6.683 10.703 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.770 5.957 10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.370 4.473 11.045 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.063 3.571 10.309 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.880 3.450 8.556 1.00 0.00 H new ATOM 1066 N PHE A 73 7.558 8.054 13.007 1.00 0.00 N ATOM 1067 CA PHE A 73 6.680 9.196 13.235 1.00 0.00 C ATOM 1068 C PHE A 73 6.376 9.360 14.721 1.00 0.00 C ATOM 1069 O PHE A 73 5.384 9.983 15.097 1.00 0.00 O ATOM 1070 CB PHE A 73 5.377 9.028 12.451 1.00 0.00 C ATOM 1071 CG PHE A 73 5.572 8.444 11.081 1.00 0.00 C ATOM 1072 CD1 PHE A 73 5.787 7.085 10.918 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.540 9.253 9.957 1.00 0.00 C ATOM 1074 CE1 PHE A 73 5.967 6.545 9.658 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.719 8.719 8.695 1.00 0.00 C ATOM 1076 CZ PHE A 73 5.932 7.362 8.546 1.00 0.00 C ATOM 0 H PHE A 73 7.125 7.148 13.183 1.00 0.00 H new ATOM 0 HA PHE A 73 7.193 10.093 12.886 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.702 8.387 13.018 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.891 9.999 12.357 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.814 6.441 11.784 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.373 10.314 10.068 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.135 5.484 9.544 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.692 9.361 7.827 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.071 6.941 7.561 1.00 0.00 H new ATOM 1086 N GLY A 74 7.238 8.796 15.562 1.00 0.00 N ATOM 1087 CA GLY A 74 7.044 8.890 16.997 1.00 0.00 C ATOM 1088 C GLY A 74 8.141 9.683 17.679 1.00 0.00 C ATOM 1089 O GLY A 74 7.886 10.411 18.638 1.00 0.00 O ATOM 0 H GLY A 74 8.067 8.276 15.275 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.081 9.358 17.201 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.007 7.887 17.422 1.00 0.00 H new