USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 384 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 53 GLN :FLIP amide:sc= 0.211 F(o=-3.6,f=0.11) USER MOD Set 1.2: A 58 ASN : amide:sc= -0.098 K(o=0.11,f=-7.3!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 32:sc= 0.35 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 136:sc= -1.62! (180deg=-2.53!) USER MOD Single : A 55 ASN : amide:sc= -14.9! C(o=-15!,f=-22!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -172:sc= -9.51! (180deg=-9.86!) USER MOD Single : A 63 SER OG : rot -65:sc= 0.643 USER MOD Single : A 64 ASN : amide:sc=-0.00689 X(o=-0.0069,f=-0.01) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.046) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 75:sc= 0.923 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.158 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.525 -5.225 -2.589 1.00 0.00 N ATOM 16 CA VAL A 2 6.027 -5.855 -3.801 1.00 0.00 C ATOM 17 C VAL A 2 6.012 -4.828 -4.935 1.00 0.00 C ATOM 18 O VAL A 2 5.716 -3.656 -4.712 1.00 0.00 O ATOM 19 CB VAL A 2 4.654 -6.478 -3.540 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.150 -7.232 -4.772 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.691 -7.394 -2.315 1.00 0.00 C ATOM 0 HA VAL A 2 6.685 -6.668 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 2 3.954 -5.669 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.173 -7.665 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.066 -6.542 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.852 -8.027 -5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.703 -7.824 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.412 -8.195 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.985 -6.817 -1.438 1.00 0.00 H new ATOM 31 N THR A 3 6.334 -5.307 -6.128 1.00 0.00 N ATOM 32 CA THR A 3 6.361 -4.445 -7.298 1.00 0.00 C ATOM 33 C THR A 3 5.289 -4.875 -8.301 1.00 0.00 C ATOM 34 O THR A 3 5.492 -5.815 -9.068 1.00 0.00 O ATOM 35 CB THR A 3 7.779 -4.475 -7.874 1.00 0.00 C ATOM 36 OG1 THR A 3 8.563 -3.792 -6.899 1.00 0.00 O ATOM 37 CG2 THR A 3 7.918 -3.617 -9.132 1.00 0.00 C ATOM 0 H THR A 3 6.578 -6.281 -6.310 1.00 0.00 H new ATOM 0 HA THR A 3 6.122 -3.414 -7.036 1.00 0.00 H new ATOM 0 HB THR A 3 8.056 -5.504 -8.105 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.498 -3.766 -7.191 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.943 -3.673 -9.500 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.236 -3.984 -9.900 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.674 -2.581 -8.895 1.00 0.00 H new ATOM 201 N ILE A 14 -8.316 -0.143 -2.802 1.00 0.00 N ATOM 202 CA ILE A 14 -7.490 -0.329 -1.622 1.00 0.00 C ATOM 203 C ILE A 14 -7.763 0.803 -0.630 1.00 0.00 C ATOM 204 O ILE A 14 -8.499 1.739 -0.938 1.00 0.00 O ATOM 205 CB ILE A 14 -6.016 -0.460 -2.014 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.658 0.520 -3.133 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.675 -1.904 -2.387 1.00 0.00 C ATOM 208 CD1 ILE A 14 -4.254 1.094 -2.929 1.00 0.00 C ATOM 0 HA ILE A 14 -7.747 -1.262 -1.121 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.407 -0.198 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.711 0.013 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.386 1.331 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.622 -1.970 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.869 -2.555 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.290 -2.217 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.023 1.788 -3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.211 1.621 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.526 0.283 -2.928 1.00 0.00 H new ATOM 219 N SER A 15 -7.155 0.680 0.541 1.00 0.00 N ATOM 220 CA SER A 15 -7.324 1.681 1.580 1.00 0.00 C ATOM 221 C SER A 15 -6.233 1.523 2.641 1.00 0.00 C ATOM 222 O SER A 15 -5.673 0.441 2.804 1.00 0.00 O ATOM 223 CB SER A 15 -8.708 1.580 2.224 1.00 0.00 C ATOM 224 OG SER A 15 -8.814 0.453 3.088 1.00 0.00 O ATOM 0 H SER A 15 -6.545 -0.098 0.793 1.00 0.00 H new ATOM 0 HA SER A 15 -7.238 2.666 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.912 2.490 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.466 1.511 1.444 1.00 0.00 H new ATOM 0 HG SER A 15 -9.711 0.425 3.481 1.00 0.00 H new ATOM 229 N ILE A 16 -5.965 2.620 3.337 1.00 0.00 N ATOM 230 CA ILE A 16 -4.952 2.616 4.378 1.00 0.00 C ATOM 231 C ILE A 16 -5.620 2.847 5.735 1.00 0.00 C ATOM 232 O ILE A 16 -6.810 3.151 5.801 1.00 0.00 O ATOM 233 CB ILE A 16 -3.849 3.626 4.055 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.408 5.049 3.999 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.118 3.246 2.766 1.00 0.00 C ATOM 236 CD1 ILE A 16 -3.842 5.906 5.132 1.00 0.00 C ATOM 0 H ILE A 16 -6.432 3.516 3.200 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.459 1.645 4.427 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.115 3.600 4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.163 5.502 3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.495 5.019 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.339 3.980 2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.667 2.261 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.827 3.226 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.256 6.912 5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.110 5.463 6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.757 5.954 5.045 1.00 0.00 H new ATOM 247 N VAL A 17 -4.824 2.695 6.783 1.00 0.00 N ATOM 248 CA VAL A 17 -5.324 2.883 8.135 1.00 0.00 C ATOM 249 C VAL A 17 -4.149 3.167 9.073 1.00 0.00 C ATOM 250 O VAL A 17 -2.990 3.017 8.686 1.00 0.00 O ATOM 251 CB VAL A 17 -6.150 1.668 8.561 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.333 0.380 8.444 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.693 1.845 9.981 1.00 0.00 C ATOM 0 H VAL A 17 -3.837 2.444 6.724 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.991 3.744 8.180 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.000 1.588 7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.944 -0.468 8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.017 0.242 7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.454 0.447 9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.277 0.967 10.259 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.862 1.964 10.676 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.328 2.730 10.020 1.00 0.00 H new ATOM 263 N GLY A 18 -4.488 3.570 10.289 1.00 0.00 N ATOM 264 CA GLY A 18 -3.475 3.875 11.286 1.00 0.00 C ATOM 265 C GLY A 18 -3.828 3.247 12.635 1.00 0.00 C ATOM 266 O GLY A 18 -4.432 2.176 12.687 1.00 0.00 O ATOM 0 H GLY A 18 -5.450 3.692 10.607 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.506 3.505 10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.382 4.955 11.397 1.00 0.00 H new ATOM 366 N GLY A 27 2.945 2.977 11.998 1.00 0.00 N ATOM 367 CA GLY A 27 3.133 2.919 10.558 1.00 0.00 C ATOM 368 C GLY A 27 1.833 2.525 9.852 1.00 0.00 C ATOM 369 O GLY A 27 1.402 1.376 9.933 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.471 3.889 10.192 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.915 2.198 10.318 1.00 0.00 H new ATOM 373 N ILE A 28 1.246 3.502 9.174 1.00 0.00 N ATOM 374 CA ILE A 28 0.006 3.272 8.453 1.00 0.00 C ATOM 375 C ILE A 28 0.145 2.013 7.595 1.00 0.00 C ATOM 376 O ILE A 28 1.198 1.771 7.008 1.00 0.00 O ATOM 377 CB ILE A 28 -0.390 4.518 7.659 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.518 5.737 8.575 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.667 4.270 6.853 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.500 5.463 9.717 1.00 0.00 C ATOM 0 H ILE A 28 1.607 4.454 9.109 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.813 3.093 9.150 1.00 0.00 H new ATOM 0 HB ILE A 28 0.405 4.735 6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.459 5.993 8.984 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.857 6.597 7.997 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.927 5.171 6.297 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.503 3.448 6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.481 4.014 7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.573 6.345 10.354 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.482 5.231 9.305 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.145 4.618 10.307 1.00 0.00 H new ATOM 391 N TYR A 29 -0.933 1.244 7.550 1.00 0.00 N ATOM 392 CA TYR A 29 -0.944 0.016 6.774 1.00 0.00 C ATOM 393 C TYR A 29 -2.251 -0.125 5.991 1.00 0.00 C ATOM 394 O TYR A 29 -3.279 0.421 6.388 1.00 0.00 O ATOM 395 CB TYR A 29 -0.845 -1.125 7.788 1.00 0.00 C ATOM 396 CG TYR A 29 -1.860 -1.033 8.929 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.667 -0.127 9.952 1.00 0.00 C ATOM 398 CD2 TYR A 29 -2.968 -1.857 8.936 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.622 -0.041 11.027 1.00 0.00 C ATOM 400 CE2 TYR A 29 -3.923 -1.770 10.010 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.703 -0.866 11.002 1.00 0.00 C ATOM 402 OH TYR A 29 -4.605 -0.785 12.017 1.00 0.00 O ATOM 0 H TYR A 29 -1.805 1.448 8.038 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.124 0.008 6.056 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.983 -2.073 7.268 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.160 -1.137 8.210 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.800 0.517 9.947 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.118 -2.567 8.136 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.483 0.663 11.834 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.794 -2.408 10.027 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.641 0.136 12.350 1.00 0.00 H new ATOM 411 N ILE A 30 -2.169 -0.861 4.892 1.00 0.00 N ATOM 412 CA ILE A 30 -3.332 -1.081 4.049 1.00 0.00 C ATOM 413 C ILE A 30 -4.486 -1.602 4.908 1.00 0.00 C ATOM 414 O ILE A 30 -4.374 -2.657 5.530 1.00 0.00 O ATOM 415 CB ILE A 30 -2.978 -1.994 2.875 1.00 0.00 C ATOM 416 CG1 ILE A 30 -3.845 -1.679 1.653 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.069 -3.467 3.277 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.415 -0.363 1.001 1.00 0.00 C ATOM 0 H ILE A 30 -1.315 -1.313 4.566 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.663 -0.143 3.603 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.943 -1.801 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.768 -2.490 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.892 -1.616 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.812 -4.094 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.375 -3.665 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.085 -3.694 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.046 -0.162 0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.516 0.450 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.375 -0.438 0.682 1.00 0.00 H new ATOM 429 N GLY A 31 -5.569 -0.839 4.913 1.00 0.00 N ATOM 430 CA GLY A 31 -6.744 -1.212 5.684 1.00 0.00 C ATOM 431 C GLY A 31 -7.227 -2.613 5.305 1.00 0.00 C ATOM 432 O GLY A 31 -7.523 -3.428 6.177 1.00 0.00 O ATOM 0 H GLY A 31 -5.658 0.036 4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.510 -1.180 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.541 -0.489 5.511 1.00 0.00 H new ATOM 436 N SER A 32 -7.292 -2.850 4.003 1.00 0.00 N ATOM 437 CA SER A 32 -7.734 -4.138 3.498 1.00 0.00 C ATOM 438 C SER A 32 -7.713 -4.135 1.968 1.00 0.00 C ATOM 439 O SER A 32 -7.552 -3.085 1.348 1.00 0.00 O ATOM 440 CB SER A 32 -9.136 -4.478 4.008 1.00 0.00 C ATOM 441 OG SER A 32 -10.135 -3.653 3.416 1.00 0.00 O ATOM 0 H SER A 32 -7.046 -2.171 3.283 1.00 0.00 H new ATOM 0 HA SER A 32 -7.048 -4.902 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.356 -5.524 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.165 -4.362 5.091 1.00 0.00 H new ATOM 0 HG SER A 32 -11.015 -3.903 3.766 1.00 0.00 H new ATOM 446 N ILE A 33 -7.879 -5.323 1.404 1.00 0.00 N ATOM 447 CA ILE A 33 -7.880 -5.471 -0.042 1.00 0.00 C ATOM 448 C ILE A 33 -9.200 -6.105 -0.484 1.00 0.00 C ATOM 449 O ILE A 33 -9.692 -7.034 0.156 1.00 0.00 O ATOM 450 CB ILE A 33 -6.642 -6.243 -0.504 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.360 -5.560 -0.024 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.654 -6.442 -2.020 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.945 -6.079 1.354 1.00 0.00 C ATOM 0 H ILE A 33 -8.014 -6.191 1.922 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.816 -4.496 -0.524 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.668 -7.234 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.558 -5.739 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.513 -4.482 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.763 -6.993 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.543 -7.004 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.664 -5.471 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.031 -5.577 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.739 -5.877 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.769 -7.153 1.300 1.00 0.00 H new ATOM 464 N MET A 34 -9.738 -5.578 -1.575 1.00 0.00 N ATOM 465 CA MET A 34 -10.991 -6.081 -2.109 1.00 0.00 C ATOM 466 C MET A 34 -10.992 -7.610 -2.160 1.00 0.00 C ATOM 467 O MET A 34 -12.051 -8.235 -2.133 1.00 0.00 O ATOM 468 CB MET A 34 -11.206 -5.523 -3.518 1.00 0.00 C ATOM 469 CG MET A 34 -11.812 -4.119 -3.464 1.00 0.00 C ATOM 470 SD MET A 34 -13.372 -4.093 -4.332 1.00 0.00 S ATOM 471 CE MET A 34 -14.392 -3.284 -3.112 1.00 0.00 C ATOM 0 H MET A 34 -9.328 -4.808 -2.103 1.00 0.00 H new ATOM 0 HA MET A 34 -11.799 -5.758 -1.453 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.255 -5.493 -4.050 1.00 0.00 H new ATOM 0 HB3 MET A 34 -11.864 -6.186 -4.079 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.958 -3.817 -2.427 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.126 -3.400 -3.911 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.408 -3.186 -3.494 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.404 -3.876 -2.197 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.988 -2.295 -2.898 1.00 0.00 H new ATOM 595 N ILE A 45 -3.192 -10.641 -0.208 1.00 0.00 N ATOM 596 CA ILE A 45 -2.486 -9.593 0.510 1.00 0.00 C ATOM 597 C ILE A 45 -3.100 -9.434 1.903 1.00 0.00 C ATOM 598 O ILE A 45 -4.200 -9.921 2.160 1.00 0.00 O ATOM 599 CB ILE A 45 -2.471 -8.299 -0.307 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.619 -8.457 -1.568 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.016 -7.116 0.549 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.184 -8.854 -1.213 1.00 0.00 C ATOM 0 HA ILE A 45 -1.440 -9.865 0.650 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.490 -8.088 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.060 -9.214 -2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.614 -7.522 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.014 -6.209 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.699 -6.991 1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.010 -7.304 0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.401 -8.960 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.262 -8.083 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.191 -9.802 -0.675 1.00 0.00 H new ATOM 613 N GLU A 46 -2.361 -8.750 2.764 1.00 0.00 N ATOM 614 CA GLU A 46 -2.819 -8.521 4.125 1.00 0.00 C ATOM 615 C GLU A 46 -2.913 -7.021 4.407 1.00 0.00 C ATOM 616 O GLU A 46 -2.327 -6.212 3.689 1.00 0.00 O ATOM 617 CB GLU A 46 -1.902 -9.213 5.136 1.00 0.00 C ATOM 618 CG GLU A 46 -2.178 -10.717 5.188 1.00 0.00 C ATOM 619 CD GLU A 46 -2.357 -11.191 6.631 1.00 0.00 C ATOM 620 OE1 GLU A 46 -3.460 -11.615 7.011 1.00 0.00 O ATOM 621 OE2 GLU A 46 -1.301 -11.112 7.367 1.00 0.00 O ATOM 0 H GLU A 46 -1.449 -8.347 2.547 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.814 -8.954 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.860 -9.040 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.051 -8.778 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.075 -10.946 4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.354 -11.258 4.723 1.00 0.00 H new ATOM 627 N PRO A 47 -3.676 -6.684 5.482 1.00 0.00 N ATOM 628 CA PRO A 47 -3.855 -5.296 5.868 1.00 0.00 C ATOM 629 C PRO A 47 -2.597 -4.749 6.546 1.00 0.00 C ATOM 630 O PRO A 47 -2.256 -3.579 6.378 1.00 0.00 O ATOM 631 CB PRO A 47 -5.069 -5.294 6.782 1.00 0.00 C ATOM 632 CG PRO A 47 -5.245 -6.731 7.244 1.00 0.00 C ATOM 633 CD PRO A 47 -4.385 -7.615 6.355 1.00 0.00 C ATOM 0 HA PRO A 47 -4.016 -4.640 5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.918 -4.627 7.631 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.955 -4.942 6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.948 -6.835 8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.292 -7.027 7.179 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.690 -8.213 6.945 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.995 -8.311 5.779 1.00 0.00 H new ATOM 638 N GLY A 48 -1.941 -5.621 7.297 1.00 0.00 N ATOM 639 CA GLY A 48 -0.728 -5.239 8.001 1.00 0.00 C ATOM 640 C GLY A 48 0.489 -5.312 7.075 1.00 0.00 C ATOM 641 O GLY A 48 1.627 -5.284 7.539 1.00 0.00 O ATOM 0 H GLY A 48 -2.226 -6.591 7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.833 -4.226 8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.578 -5.896 8.857 1.00 0.00 H new ATOM 645 N ASP A 49 0.205 -5.403 5.785 1.00 0.00 N ATOM 646 CA ASP A 49 1.262 -5.479 4.790 1.00 0.00 C ATOM 647 C ASP A 49 2.220 -4.302 4.979 1.00 0.00 C ATOM 648 O ASP A 49 3.413 -4.417 4.700 1.00 0.00 O ATOM 649 CB ASP A 49 0.691 -5.401 3.372 1.00 0.00 C ATOM 650 CG ASP A 49 0.952 -6.631 2.501 1.00 0.00 C ATOM 651 OD1 ASP A 49 0.685 -7.772 2.908 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.460 -6.380 1.342 1.00 0.00 O ATOM 0 H ASP A 49 -0.741 -5.426 5.405 1.00 0.00 H new ATOM 0 HA ASP A 49 1.778 -6.430 4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.385 -5.243 3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.111 -4.527 2.875 1.00 0.00 H new ATOM 657 N MET A 50 1.663 -3.197 5.452 1.00 0.00 N ATOM 658 CA MET A 50 2.454 -2.000 5.682 1.00 0.00 C ATOM 659 C MET A 50 2.629 -1.201 4.388 1.00 0.00 C ATOM 660 O MET A 50 3.743 -0.816 4.039 1.00 0.00 O ATOM 661 CB MET A 50 3.828 -2.392 6.230 1.00 0.00 C ATOM 662 CG MET A 50 4.396 -1.290 7.125 1.00 0.00 C ATOM 663 SD MET A 50 4.230 -1.752 8.841 1.00 0.00 S ATOM 664 CE MET A 50 4.223 -0.134 9.598 1.00 0.00 C ATOM 0 H MET A 50 0.674 -3.105 5.682 1.00 0.00 H new ATOM 0 HA MET A 50 1.930 -1.375 6.405 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.746 -3.320 6.797 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.512 -2.583 5.403 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.446 -1.120 6.885 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.871 -0.353 6.940 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.442 -0.091 10.357 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.191 0.055 10.063 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.032 0.623 8.837 1.00 0.00 H new ATOM 672 N LEU A 51 1.511 -0.977 3.713 1.00 0.00 N ATOM 673 CA LEU A 51 1.526 -0.233 2.466 1.00 0.00 C ATOM 674 C LEU A 51 1.435 1.265 2.770 1.00 0.00 C ATOM 675 O LEU A 51 0.352 1.846 2.730 1.00 0.00 O ATOM 676 CB LEU A 51 0.429 -0.737 1.527 1.00 0.00 C ATOM 677 CG LEU A 51 0.475 -0.204 0.093 1.00 0.00 C ATOM 678 CD1 LEU A 51 0.018 1.255 0.036 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.866 -0.392 -0.517 1.00 0.00 C ATOM 0 H LEU A 51 0.589 -1.298 4.007 1.00 0.00 H new ATOM 0 HA LEU A 51 2.465 -0.396 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.481 -1.825 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.538 -0.479 1.959 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.223 -0.785 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.060 1.609 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.005 1.330 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.673 1.866 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.872 -0.005 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.601 0.148 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.117 -1.453 -0.530 1.00 0.00 H new ATOM 690 N LEU A 52 2.588 1.846 3.069 1.00 0.00 N ATOM 691 CA LEU A 52 2.652 3.264 3.379 1.00 0.00 C ATOM 692 C LEU A 52 3.726 3.925 2.511 1.00 0.00 C ATOM 693 O LEU A 52 4.013 5.110 2.668 1.00 0.00 O ATOM 694 CB LEU A 52 2.860 3.475 4.881 1.00 0.00 C ATOM 695 CG LEU A 52 4.312 3.599 5.346 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.192 2.537 4.683 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.844 5.013 5.110 1.00 0.00 C ATOM 0 H LEU A 52 3.485 1.361 3.103 1.00 0.00 H new ATOM 0 HA LEU A 52 1.706 3.749 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.326 4.377 5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.399 2.642 5.412 1.00 0.00 H new ATOM 0 HG LEU A 52 4.344 3.419 6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.219 2.647 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.825 1.545 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.160 2.662 3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.878 5.074 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.797 5.247 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.237 5.728 5.666 1.00 0.00 H new ATOM 708 N GLN A 53 4.291 3.127 1.616 1.00 0.00 N ATOM 709 CA GLN A 53 5.326 3.618 0.724 1.00 0.00 C ATOM 710 C GLN A 53 5.076 3.125 -0.702 1.00 0.00 C ATOM 711 O GLN A 53 4.637 1.993 -0.903 1.00 0.00 O ATOM 712 CB GLN A 53 6.715 3.202 1.213 1.00 0.00 C ATOM 713 CG GLN A 53 6.693 1.781 1.780 1.00 0.00 C ATOM 714 CD GLN A 53 7.761 1.606 2.863 1.00 0.00 C ATOM 715 OE1 GLN A 53 7.381 0.834 3.876 1.00 0.00 O flip ATOM 716 NE2 GLN A 53 8.856 2.138 2.782 1.00 0.00 N flip ATOM 0 H GLN A 53 4.051 2.144 1.490 1.00 0.00 H new ATOM 0 HA GLN A 53 5.289 4.707 0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.426 3.258 0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.059 3.898 1.979 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.709 1.567 2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.862 1.063 0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.082 2.719 1.975 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.545 2.001 3.521 1.00 0.00 H new ATOM 723 N VAL A 54 5.367 3.997 -1.657 1.00 0.00 N ATOM 724 CA VAL A 54 5.179 3.664 -3.058 1.00 0.00 C ATOM 725 C VAL A 54 6.372 4.180 -3.865 1.00 0.00 C ATOM 726 O VAL A 54 6.972 5.195 -3.513 1.00 0.00 O ATOM 727 CB VAL A 54 3.839 4.214 -3.552 1.00 0.00 C ATOM 728 CG1 VAL A 54 3.683 4.003 -5.059 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.673 3.587 -2.786 1.00 0.00 C ATOM 0 H VAL A 54 5.732 4.934 -1.487 1.00 0.00 H new ATOM 0 HA VAL A 54 5.140 2.583 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 54 3.826 5.287 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.723 4.403 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.487 4.519 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.728 2.937 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.733 3.995 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.682 2.507 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.773 3.812 -1.724 1.00 0.00 H new ATOM 739 N ASN A 55 6.682 3.458 -4.932 1.00 0.00 N ATOM 740 CA ASN A 55 7.792 3.831 -5.791 1.00 0.00 C ATOM 741 C ASN A 55 8.981 4.256 -4.926 1.00 0.00 C ATOM 742 O ASN A 55 9.257 3.640 -3.897 1.00 0.00 O ATOM 743 CB ASN A 55 7.419 5.008 -6.694 1.00 0.00 C ATOM 744 CG ASN A 55 7.114 6.258 -5.866 1.00 0.00 C ATOM 745 OD1 ASN A 55 7.979 7.069 -5.577 1.00 0.00 O ATOM 746 ND2 ASN A 55 5.839 6.368 -5.502 1.00 0.00 N ATOM 0 H ASN A 55 6.183 2.616 -5.221 1.00 0.00 H new ATOM 0 HA ASN A 55 8.044 2.969 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.237 5.215 -7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.550 4.747 -7.298 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.534 7.168 -4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.166 5.653 -5.778 1.00 0.00 H new ATOM 752 N ASP A 56 9.653 5.305 -5.375 1.00 0.00 N ATOM 753 CA ASP A 56 10.805 5.820 -4.655 1.00 0.00 C ATOM 754 C ASP A 56 10.328 6.732 -3.522 1.00 0.00 C ATOM 755 O ASP A 56 11.136 7.376 -2.857 1.00 0.00 O ATOM 756 CB ASP A 56 11.708 6.644 -5.576 1.00 0.00 C ATOM 757 CG ASP A 56 13.152 6.152 -5.676 1.00 0.00 C ATOM 758 OD1 ASP A 56 13.424 4.946 -5.576 1.00 0.00 O ATOM 759 OD2 ASP A 56 14.031 7.075 -5.868 1.00 0.00 O ATOM 0 H ASP A 56 9.422 5.813 -6.229 1.00 0.00 H new ATOM 0 HA ASP A 56 11.366 4.970 -4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.273 6.651 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.715 7.676 -5.224 1.00 0.00 H new ATOM 764 N VAL A 57 9.016 6.755 -3.337 1.00 0.00 N ATOM 765 CA VAL A 57 8.422 7.576 -2.297 1.00 0.00 C ATOM 766 C VAL A 57 8.400 6.791 -0.984 1.00 0.00 C ATOM 767 O VAL A 57 8.312 5.564 -0.991 1.00 0.00 O ATOM 768 CB VAL A 57 7.033 8.050 -2.732 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.113 8.236 -1.524 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.127 9.336 -3.555 1.00 0.00 C ATOM 0 H VAL A 57 8.348 6.218 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 57 9.020 8.472 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 57 6.598 7.278 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.133 8.573 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.009 7.288 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.541 8.980 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.127 9.652 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.592 10.119 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.729 9.155 -4.445 1.00 0.00 H new ATOM 780 N ASN A 58 8.482 7.530 0.113 1.00 0.00 N ATOM 781 CA ASN A 58 8.473 6.919 1.430 1.00 0.00 C ATOM 782 C ASN A 58 7.774 7.855 2.418 1.00 0.00 C ATOM 783 O ASN A 58 8.416 8.700 3.039 1.00 0.00 O ATOM 784 CB ASN A 58 9.897 6.678 1.936 1.00 0.00 C ATOM 785 CG ASN A 58 10.419 5.316 1.473 1.00 0.00 C ATOM 786 OD1 ASN A 58 9.692 4.341 1.381 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.718 5.304 1.187 1.00 0.00 N ATOM 0 H ASN A 58 8.555 8.547 0.116 1.00 0.00 H new ATOM 0 HA ASN A 58 7.950 5.966 1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.555 7.467 1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.913 6.727 3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.162 4.443 0.869 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.270 6.156 1.286 1.00 0.00 H new ATOM 793 N PHE A 59 6.465 7.673 2.531 1.00 0.00 N ATOM 794 CA PHE A 59 5.672 8.491 3.433 1.00 0.00 C ATOM 795 C PHE A 59 5.812 8.010 4.878 1.00 0.00 C ATOM 796 O PHE A 59 4.814 7.790 5.563 1.00 0.00 O ATOM 797 CB PHE A 59 4.212 8.347 3.000 1.00 0.00 C ATOM 798 CG PHE A 59 3.925 8.880 1.594 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.460 10.064 1.192 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.135 8.168 0.746 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.193 10.558 -0.112 1.00 0.00 C ATOM 802 CE2 PHE A 59 2.869 8.661 -0.559 1.00 0.00 C ATOM 803 CZ PHE A 59 3.404 9.846 -0.960 1.00 0.00 C ATOM 0 H PHE A 59 5.935 6.972 2.013 1.00 0.00 H new ATOM 0 HA PHE A 59 6.010 9.526 3.389 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.933 7.294 3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.578 8.874 3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.088 10.629 1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.710 7.228 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.617 11.499 -0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.242 8.096 -1.233 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.202 10.221 -1.952 1.00 0.00 H new ATOM 812 N GLU A 60 7.060 7.858 5.300 1.00 0.00 N ATOM 813 CA GLU A 60 7.343 7.406 6.651 1.00 0.00 C ATOM 814 C GLU A 60 7.028 8.513 7.658 1.00 0.00 C ATOM 815 O GLU A 60 6.410 8.260 8.692 1.00 0.00 O ATOM 816 CB GLU A 60 8.796 6.943 6.781 1.00 0.00 C ATOM 817 CG GLU A 60 8.976 5.536 6.209 1.00 0.00 C ATOM 818 CD GLU A 60 10.024 5.526 5.094 1.00 0.00 C ATOM 819 OE1 GLU A 60 9.941 4.702 4.172 1.00 0.00 O ATOM 820 OE2 GLU A 60 10.950 6.418 5.209 1.00 0.00 O ATOM 0 H GLU A 60 7.886 8.040 4.729 1.00 0.00 H new ATOM 0 HA GLU A 60 6.703 6.551 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.451 7.639 6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.092 6.954 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.278 4.853 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.024 5.173 5.821 1.00 0.00 H new ATOM 826 N ASN A 61 7.467 9.717 7.322 1.00 0.00 N ATOM 827 CA ASN A 61 7.240 10.864 8.184 1.00 0.00 C ATOM 828 C ASN A 61 5.794 11.342 8.021 1.00 0.00 C ATOM 829 O ASN A 61 5.375 12.296 8.673 1.00 0.00 O ATOM 830 CB ASN A 61 8.166 12.025 7.814 1.00 0.00 C ATOM 831 CG ASN A 61 9.164 12.310 8.938 1.00 0.00 C ATOM 832 OD1 ASN A 61 10.193 11.670 9.066 1.00 0.00 O ATOM 833 ND2 ASN A 61 8.802 13.306 9.742 1.00 0.00 N ATOM 0 H ASN A 61 7.979 9.923 6.464 1.00 0.00 H new ATOM 0 HA ASN A 61 7.439 10.557 9.211 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.704 11.787 6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.574 12.918 7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.401 13.575 10.523 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.925 13.801 9.578 1.00 0.00 H new ATOM 839 N MET A 62 5.074 10.655 7.147 1.00 0.00 N ATOM 840 CA MET A 62 3.685 10.997 6.889 1.00 0.00 C ATOM 841 C MET A 62 2.757 10.310 7.893 1.00 0.00 C ATOM 842 O MET A 62 2.224 10.956 8.795 1.00 0.00 O ATOM 843 CB MET A 62 3.309 10.568 5.469 1.00 0.00 C ATOM 844 CG MET A 62 2.518 11.667 4.757 1.00 0.00 C ATOM 845 SD MET A 62 3.129 11.877 3.093 1.00 0.00 S ATOM 846 CE MET A 62 1.922 10.916 2.196 1.00 0.00 C ATOM 0 H MET A 62 5.426 9.863 6.608 1.00 0.00 H new ATOM 0 HA MET A 62 3.569 12.076 6.994 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.212 10.340 4.903 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.716 9.654 5.506 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.459 11.408 4.735 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.606 12.604 5.307 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.232 10.822 1.155 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.842 9.925 2.642 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.953 11.414 2.242 1.00 0.00 H new ATOM 854 N SER A 63 2.590 9.009 7.703 1.00 0.00 N ATOM 855 CA SER A 63 1.735 8.228 8.580 1.00 0.00 C ATOM 856 C SER A 63 0.632 9.115 9.161 1.00 0.00 C ATOM 857 O SER A 63 0.375 9.085 10.364 1.00 0.00 O ATOM 858 CB SER A 63 2.544 7.582 9.707 1.00 0.00 C ATOM 859 OG SER A 63 1.768 7.403 10.888 1.00 0.00 O ATOM 0 H SER A 63 3.033 8.476 6.954 1.00 0.00 H new ATOM 0 HA SER A 63 1.280 7.431 7.992 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.923 6.616 9.373 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.410 8.204 9.933 1.00 0.00 H new ATOM 0 HG SER A 63 1.509 8.278 11.245 1.00 0.00 H new ATOM 864 N ASN A 64 0.009 9.884 8.280 1.00 0.00 N ATOM 865 CA ASN A 64 -1.060 10.778 8.691 1.00 0.00 C ATOM 866 C ASN A 64 -2.401 10.053 8.564 1.00 0.00 C ATOM 867 O ASN A 64 -3.439 10.688 8.375 1.00 0.00 O ATOM 868 CB ASN A 64 -1.110 12.022 7.802 1.00 0.00 C ATOM 869 CG ASN A 64 -1.453 13.268 8.622 1.00 0.00 C ATOM 870 OD1 ASN A 64 -0.694 13.716 9.466 1.00 0.00 O ATOM 871 ND2 ASN A 64 -2.634 13.802 8.326 1.00 0.00 N ATOM 0 H ASN A 64 0.224 9.906 7.283 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.871 11.078 9.722 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.148 12.160 7.309 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.853 11.883 7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.953 14.637 8.817 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.221 13.377 7.608 1.00 0.00 H new ATOM 877 N ASP A 65 -2.338 8.735 8.674 1.00 0.00 N ATOM 878 CA ASP A 65 -3.535 7.917 8.573 1.00 0.00 C ATOM 879 C ASP A 65 -4.437 8.473 7.470 1.00 0.00 C ATOM 880 O ASP A 65 -5.659 8.353 7.543 1.00 0.00 O ATOM 881 CB ASP A 65 -4.325 7.934 9.884 1.00 0.00 C ATOM 882 CG ASP A 65 -5.603 7.093 9.879 1.00 0.00 C ATOM 883 OD1 ASP A 65 -5.735 6.135 9.102 1.00 0.00 O ATOM 884 OD2 ASP A 65 -6.500 7.460 10.730 1.00 0.00 O ATOM 0 H ASP A 65 -1.476 8.212 8.832 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.227 6.895 8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.677 7.579 10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.587 8.965 10.119 1.00 0.00 H new ATOM 889 N ASP A 66 -3.799 9.069 6.473 1.00 0.00 N ATOM 890 CA ASP A 66 -4.529 9.645 5.356 1.00 0.00 C ATOM 891 C ASP A 66 -3.563 9.894 4.196 1.00 0.00 C ATOM 892 O ASP A 66 -3.761 10.817 3.407 1.00 0.00 O ATOM 893 CB ASP A 66 -5.160 10.985 5.742 1.00 0.00 C ATOM 894 CG ASP A 66 -6.139 10.924 6.917 1.00 0.00 C ATOM 895 OD1 ASP A 66 -5.807 11.321 8.044 1.00 0.00 O ATOM 896 OD2 ASP A 66 -7.300 10.439 6.636 1.00 0.00 O ATOM 0 H ASP A 66 -2.785 9.165 6.415 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.315 8.946 5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.363 11.687 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.682 11.387 4.874 1.00 0.00 H new ATOM 901 N ALA A 67 -2.540 9.055 4.130 1.00 0.00 N ATOM 902 CA ALA A 67 -1.543 9.173 3.079 1.00 0.00 C ATOM 903 C ALA A 67 -2.222 9.012 1.717 1.00 0.00 C ATOM 904 O ALA A 67 -1.639 9.343 0.687 1.00 0.00 O ATOM 905 CB ALA A 67 -0.438 8.138 3.306 1.00 0.00 C ATOM 0 H ALA A 67 -2.380 8.291 4.787 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.077 10.158 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.310 8.226 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.032 8.314 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.868 7.137 3.288 1.00 0.00 H new ATOM 911 N VAL A 68 -3.445 8.503 1.758 1.00 0.00 N ATOM 912 CA VAL A 68 -4.209 8.294 0.540 1.00 0.00 C ATOM 913 C VAL A 68 -4.395 9.633 -0.175 1.00 0.00 C ATOM 914 O VAL A 68 -4.260 9.712 -1.395 1.00 0.00 O ATOM 915 CB VAL A 68 -5.534 7.600 0.866 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.586 7.900 -0.203 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.336 6.092 1.033 1.00 0.00 C ATOM 0 H VAL A 68 -3.925 8.229 2.615 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.671 7.634 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.897 7.997 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.518 7.395 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.757 8.975 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.233 7.543 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.292 5.623 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.940 5.672 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.634 5.905 1.846 1.00 0.00 H new ATOM 927 N ARG A 69 -4.703 10.652 0.613 1.00 0.00 N ATOM 928 CA ARG A 69 -4.909 11.983 0.071 1.00 0.00 C ATOM 929 C ARG A 69 -3.850 12.295 -0.989 1.00 0.00 C ATOM 930 O ARG A 69 -4.085 13.098 -1.889 1.00 0.00 O ATOM 931 CB ARG A 69 -4.848 13.043 1.172 1.00 0.00 C ATOM 932 CG ARG A 69 -4.946 14.452 0.584 1.00 0.00 C ATOM 933 CD ARG A 69 -6.050 15.257 1.272 1.00 0.00 C ATOM 934 NE ARG A 69 -7.172 15.484 0.334 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.197 14.624 0.159 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.251 13.470 0.859 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.147 14.926 -0.707 1.00 0.00 N ATOM 0 H ARG A 69 -4.815 10.582 1.624 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.900 12.006 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.661 12.884 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.916 12.941 1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.991 14.965 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.148 14.391 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.405 14.723 2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.654 16.213 1.616 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.170 16.344 -0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.513 13.243 1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.029 12.826 0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.099 15.799 -1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.928 14.286 -0.851 1.00 0.00 H new ATOM 947 N VAL A 70 -2.706 11.642 -0.844 1.00 0.00 N ATOM 948 CA VAL A 70 -1.609 11.840 -1.778 1.00 0.00 C ATOM 949 C VAL A 70 -1.471 10.601 -2.665 1.00 0.00 C ATOM 950 O VAL A 70 -1.313 10.717 -3.879 1.00 0.00 O ATOM 951 CB VAL A 70 -0.326 12.173 -1.014 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.790 11.187 -1.359 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.112 13.614 -1.284 1.00 0.00 C ATOM 0 H VAL A 70 -2.515 10.976 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.812 12.688 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.536 12.080 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.690 11.447 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.478 10.177 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.999 11.233 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.026 13.826 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.296 13.745 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.673 14.299 -0.965 1.00 0.00 H new ATOM 963 N LEU A 71 -1.536 9.443 -2.024 1.00 0.00 N ATOM 964 CA LEU A 71 -1.420 8.184 -2.740 1.00 0.00 C ATOM 965 C LEU A 71 -2.385 8.186 -3.927 1.00 0.00 C ATOM 966 O LEU A 71 -2.035 7.738 -5.018 1.00 0.00 O ATOM 967 CB LEU A 71 -1.622 7.004 -1.786 1.00 0.00 C ATOM 968 CG LEU A 71 -0.726 5.787 -2.025 1.00 0.00 C ATOM 969 CD1 LEU A 71 -0.799 5.330 -3.484 1.00 0.00 C ATOM 970 CD2 LEU A 71 0.712 6.071 -1.585 1.00 0.00 C ATOM 0 H LEU A 71 -1.667 9.350 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.415 8.068 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.460 7.355 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.662 6.683 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.095 4.965 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.153 4.464 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.826 5.061 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.470 6.139 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.328 5.190 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.107 6.913 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.726 6.312 -0.522 1.00 0.00 H new ATOM 981 N ARG A 72 -3.581 8.697 -3.676 1.00 0.00 N ATOM 982 CA ARG A 72 -4.599 8.765 -4.711 1.00 0.00 C ATOM 983 C ARG A 72 -4.149 9.694 -5.839 1.00 0.00 C ATOM 984 O ARG A 72 -4.694 9.648 -6.941 1.00 0.00 O ATOM 985 CB ARG A 72 -5.928 9.269 -4.144 1.00 0.00 C ATOM 986 CG ARG A 72 -7.080 8.979 -5.107 1.00 0.00 C ATOM 987 CD ARG A 72 -8.015 10.185 -5.223 1.00 0.00 C ATOM 988 NE ARG A 72 -9.224 9.816 -5.994 1.00 0.00 N ATOM 989 CZ ARG A 72 -10.088 10.710 -6.521 1.00 0.00 C ATOM 990 NH1 ARG A 72 -9.883 12.035 -6.363 1.00 0.00 N ATOM 991 NH2 ARG A 72 -11.135 10.268 -7.192 1.00 0.00 N ATOM 0 H ARG A 72 -3.868 9.068 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.742 7.757 -5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.123 8.791 -3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.865 10.341 -3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.682 8.727 -6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.641 8.112 -4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.299 10.532 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.499 11.010 -5.713 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.416 8.824 -6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.071 12.367 -5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.540 12.704 -6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.281 9.265 -7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.798 10.929 -7.597 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.158 10.517 -5.525 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.628 11.456 -6.500 1.00 0.00 C ATOM 1003 C GLU A 73 -1.653 10.748 -7.442 1.00 0.00 C ATOM 1004 O GLU A 73 -1.378 11.237 -8.537 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.957 12.644 -5.807 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.433 12.531 -5.879 1.00 0.00 C ATOM 1007 CD GLU A 73 0.237 13.765 -5.271 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -0.437 14.583 -4.626 1.00 0.00 O ATOM 1009 OE2 GLU A 73 1.505 13.858 -5.486 1.00 0.00 O ATOM 0 H GLU A 73 -2.709 10.553 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.457 11.844 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.279 13.573 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.273 12.688 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.106 11.637 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.122 12.418 -6.917 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.157 9.609 -6.983 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.218 8.829 -7.771 1.00 0.00 C ATOM 1017 C ILE A 74 -0.931 8.281 -9.009 1.00 0.00 C ATOM 1018 O ILE A 74 -0.996 8.950 -10.039 1.00 0.00 O ATOM 1019 CB ILE A 74 0.438 7.748 -6.910 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.032 8.350 -5.633 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.478 6.963 -7.711 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.518 8.666 -5.817 1.00 0.00 C ATOM 0 H ILE A 74 -1.388 9.207 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 74 0.598 9.459 -8.125 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.333 7.040 -6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.493 9.260 -5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.904 7.653 -4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.928 6.201 -7.075 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.996 6.485 -8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.252 7.643 -8.067 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.916 9.092 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.058 7.750 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.640 9.381 -6.630 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.446 7.068 -8.868 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.151 6.423 -9.961 1.00 0.00 C ATOM 1035 C VAL A 75 -2.975 7.467 -10.719 1.00 0.00 C ATOM 1036 O VAL A 75 -3.065 7.421 -11.944 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.998 5.265 -9.426 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.233 3.944 -9.507 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.465 5.543 -7.997 1.00 0.00 C ATOM 0 H VAL A 75 -1.389 6.515 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.444 5.991 -10.669 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.883 5.177 -10.056 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.857 3.138 -9.121 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.974 3.737 -10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.322 4.014 -8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.065 4.705 -7.641 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.598 5.670 -7.349 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.066 6.452 -7.981 1.00 0.00 H new ATOM 1049 N SER A 76 -3.555 8.382 -9.957 1.00 0.00 N ATOM 1050 CA SER A 76 -4.368 9.436 -10.540 1.00 0.00 C ATOM 1051 C SER A 76 -3.595 10.133 -11.661 1.00 0.00 C ATOM 1052 O SER A 76 -4.039 10.150 -12.809 1.00 0.00 O ATOM 1053 CB SER A 76 -4.797 10.452 -9.479 1.00 0.00 C ATOM 1054 OG SER A 76 -5.173 11.698 -10.057 1.00 0.00 O ATOM 0 H SER A 76 -3.478 8.416 -8.940 1.00 0.00 H new ATOM 0 HA SER A 76 -5.269 8.983 -10.955 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.634 10.049 -8.909 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.979 10.610 -8.776 1.00 0.00 H new ATOM 0 HG SER A 76 -5.442 12.319 -9.348 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.452 10.691 -11.290 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.613 11.388 -12.250 1.00 0.00 C ATOM 1061 C GLN A 77 -0.147 10.996 -12.056 1.00 0.00 C ATOM 1062 O GLN A 77 0.213 9.830 -12.209 1.00 0.00 O ATOM 1063 CB GLN A 77 -1.796 12.903 -12.138 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.250 13.302 -12.398 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.337 14.408 -13.451 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -2.875 14.271 -14.571 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -3.951 15.509 -13.029 1.00 0.00 N ATOM 0 H GLN A 77 -2.087 10.675 -10.338 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.918 11.092 -13.254 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.496 13.236 -11.144 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.144 13.405 -12.853 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.815 12.432 -12.732 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.709 13.642 -11.470 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.315 15.557 -12.077 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.058 16.306 -13.657 1.00 0.00 H new ATOM 1074 N THR A 78 0.660 11.993 -11.724 1.00 0.00 N ATOM 1075 CA THR A 78 2.078 11.767 -11.508 1.00 0.00 C ATOM 1076 C THR A 78 2.292 10.617 -10.522 1.00 0.00 C ATOM 1077 O THR A 78 1.335 9.965 -10.106 1.00 0.00 O ATOM 1078 CB THR A 78 2.702 13.086 -11.047 1.00 0.00 C ATOM 1079 OG1 THR A 78 2.085 13.340 -9.788 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.277 14.271 -11.917 1.00 0.00 C ATOM 0 H THR A 78 0.358 12.959 -11.599 1.00 0.00 H new ATOM 0 HA THR A 78 2.574 11.460 -12.429 1.00 0.00 H new ATOM 0 HB THR A 78 3.788 12.998 -11.060 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.433 14.177 -9.416 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.748 15.182 -11.547 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.587 14.096 -12.947 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.193 14.381 -11.878 1.00 0.00 H new ATOM 1088 N GLY A 79 3.553 10.401 -10.178 1.00 0.00 N ATOM 1089 CA GLY A 79 3.903 9.340 -9.249 1.00 0.00 C ATOM 1090 C GLY A 79 3.864 7.974 -9.937 1.00 0.00 C ATOM 1091 O GLY A 79 2.804 7.519 -10.361 1.00 0.00 O ATOM 0 H GLY A 79 4.345 10.942 -10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.899 9.519 -8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.212 9.347 -8.406 1.00 0.00 H new ATOM 1095 N PRO A 80 5.064 7.341 -10.027 1.00 0.00 N ATOM 1096 CA PRO A 80 5.177 6.036 -10.656 1.00 0.00 C ATOM 1097 C PRO A 80 4.628 4.938 -9.742 1.00 0.00 C ATOM 1098 O PRO A 80 4.752 5.023 -8.521 1.00 0.00 O ATOM 1099 CB PRO A 80 6.658 5.872 -10.958 1.00 0.00 C ATOM 1100 CG PRO A 80 7.378 6.877 -10.075 1.00 0.00 C ATOM 1101 CD PRO A 80 6.341 7.850 -9.535 1.00 0.00 C ATOM 0 HA PRO A 80 4.587 5.956 -11.569 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.990 4.856 -10.744 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.865 6.060 -12.012 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.888 6.369 -9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.140 7.409 -10.645 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.360 7.885 -8.446 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.526 8.864 -9.890 1.00 0.00 H new ATOM 1106 N ILE A 81 4.034 3.934 -10.368 1.00 0.00 N ATOM 1107 CA ILE A 81 3.465 2.821 -9.627 1.00 0.00 C ATOM 1108 C ILE A 81 4.594 1.910 -9.138 1.00 0.00 C ATOM 1109 O ILE A 81 5.605 1.748 -9.819 1.00 0.00 O ATOM 1110 CB ILE A 81 2.413 2.098 -10.469 1.00 0.00 C ATOM 1111 CG1 ILE A 81 1.012 2.640 -10.180 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.495 0.583 -10.268 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.049 2.311 -11.323 1.00 0.00 C ATOM 0 H ILE A 81 3.934 3.867 -11.381 1.00 0.00 H new ATOM 0 HA ILE A 81 2.939 3.181 -8.743 1.00 0.00 H new ATOM 0 HB ILE A 81 2.623 2.294 -11.520 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.638 2.212 -9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.058 3.720 -10.038 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.736 0.093 -10.878 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.483 0.230 -10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.325 0.346 -9.218 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.939 2.708 -11.092 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.413 2.761 -12.247 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.014 1.230 -11.446 1.00 0.00 H new ATOM 1124 N SER A 82 4.383 1.339 -7.961 1.00 0.00 N ATOM 1125 CA SER A 82 5.370 0.449 -7.374 1.00 0.00 C ATOM 1126 C SER A 82 5.181 0.387 -5.857 1.00 0.00 C ATOM 1127 O SER A 82 6.129 0.594 -5.101 1.00 0.00 O ATOM 1128 CB SER A 82 6.791 0.901 -7.714 1.00 0.00 C ATOM 1129 OG SER A 82 7.341 0.163 -8.802 1.00 0.00 O ATOM 0 H SER A 82 3.543 1.475 -7.398 1.00 0.00 H new ATOM 0 HA SER A 82 5.225 -0.547 -7.793 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.784 1.962 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.428 0.783 -6.837 1.00 0.00 H new ATOM 0 HG SER A 82 6.941 0.471 -9.642 1.00 0.00 H new ATOM 1134 N LEU A 83 3.951 0.101 -5.457 1.00 0.00 N ATOM 1135 CA LEU A 83 3.626 0.010 -4.044 1.00 0.00 C ATOM 1136 C LEU A 83 4.813 -0.592 -3.290 1.00 0.00 C ATOM 1137 O LEU A 83 5.515 -1.454 -3.816 1.00 0.00 O ATOM 1138 CB LEU A 83 2.317 -0.758 -3.844 1.00 0.00 C ATOM 1139 CG LEU A 83 1.885 -1.659 -5.002 1.00 0.00 C ATOM 1140 CD1 LEU A 83 3.073 -2.443 -5.561 1.00 0.00 C ATOM 1141 CD2 LEU A 83 0.737 -2.580 -4.581 1.00 0.00 C ATOM 0 H LEU A 83 3.167 -0.071 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 83 3.454 1.003 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.412 -1.372 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.521 -0.038 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 83 1.512 -1.025 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.737 -3.075 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.830 -1.747 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.500 -3.066 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.449 -3.210 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.060 -3.208 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.117 -1.978 -4.269 1.00 0.00 H new ATOM 1152 N THR A 84 5.003 -0.113 -2.069 1.00 0.00 N ATOM 1153 CA THR A 84 6.093 -0.592 -1.237 1.00 0.00 C ATOM 1154 C THR A 84 5.640 -0.712 0.219 1.00 0.00 C ATOM 1155 O THR A 84 4.912 0.144 0.720 1.00 0.00 O ATOM 1156 CB THR A 84 7.283 0.351 -1.428 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.620 0.210 -2.805 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.533 -0.126 -0.686 1.00 0.00 C ATOM 0 H THR A 84 4.419 0.603 -1.636 1.00 0.00 H new ATOM 0 HA THR A 84 6.404 -1.595 -1.531 1.00 0.00 H new ATOM 0 HB THR A 84 7.015 1.349 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.382 0.789 -3.016 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.347 0.579 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.321 -0.187 0.382 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.822 -1.110 -1.055 1.00 0.00 H new ATOM 1166 N VAL A 85 6.090 -1.782 0.859 1.00 0.00 N ATOM 1167 CA VAL A 85 5.739 -2.025 2.248 1.00 0.00 C ATOM 1168 C VAL A 85 6.976 -2.520 3.001 1.00 0.00 C ATOM 1169 O VAL A 85 7.904 -3.054 2.397 1.00 0.00 O ATOM 1170 CB VAL A 85 4.562 -2.998 2.328 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.514 -2.679 1.260 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.039 -4.447 2.214 1.00 0.00 C ATOM 0 H VAL A 85 6.694 -2.490 0.441 1.00 0.00 H new ATOM 0 HA VAL A 85 5.413 -1.102 2.727 1.00 0.00 H new ATOM 0 HB VAL A 85 4.093 -2.877 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.688 -3.385 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.140 -1.666 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.966 -2.758 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.182 -5.118 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.545 -4.589 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.730 -4.668 3.028 1.00 0.00 H new ATOM 1182 N ALA A 86 6.948 -2.324 4.311 1.00 0.00 N ATOM 1183 CA ALA A 86 8.055 -2.744 5.155 1.00 0.00 C ATOM 1184 C ALA A 86 7.777 -4.149 5.692 1.00 0.00 C ATOM 1185 O ALA A 86 8.102 -4.454 6.839 1.00 0.00 O ATOM 1186 CB ALA A 86 8.260 -1.721 6.275 1.00 0.00 C ATOM 0 H ALA A 86 6.177 -1.880 4.809 1.00 0.00 H new ATOM 0 HA ALA A 86 8.980 -2.788 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.090 -2.036 6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.484 -0.746 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.352 -1.651 6.875 1.00 0.00 H new