USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 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 Single : A 4 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.201) USER MOD Single : A 5 GLN : amide:sc= -1.02 K(o=-1,f=-2) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0898 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc=-0.00295 (180deg=-0.293) USER MOD Single : A 27 MET CE :methyl 157:sc= -0.0215 (180deg=-0.569) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -6.36! C(o=-6.4!,f=-12!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.24! C(o=-2.2!,f=-3.4!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -61:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= -0.136 (180deg=-0.844) USER MOD Single : A 62 GLN : amide:sc= -0.0151 K(o=-0.015,f=-1.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.94! C(o=-1.9!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 53.672 -13.134 14.618 1.00 0.00 N ATOM 35 CA VAL A 3 54.563 -13.885 13.741 1.00 0.00 C ATOM 36 C VAL A 3 55.995 -13.374 13.869 1.00 0.00 C ATOM 37 O VAL A 3 56.270 -12.203 13.611 1.00 0.00 O ATOM 38 CB VAL A 3 54.100 -13.754 12.289 1.00 0.00 C ATOM 39 CG1 VAL A 3 55.112 -14.436 11.367 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.734 -14.423 12.129 1.00 0.00 C ATOM 0 HA VAL A 3 54.535 -14.934 14.037 1.00 0.00 H new ATOM 0 HB VAL A 3 54.022 -12.699 12.026 1.00 0.00 H new ATOM 0 HG11 VAL A 3 54.782 -14.343 10.332 1.00 0.00 H new ATOM 0 HG12 VAL A 3 56.086 -13.961 11.481 1.00 0.00 H new ATOM 0 HG13 VAL A 3 55.190 -15.491 11.629 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.402 -14.331 11.095 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.812 -15.478 12.392 1.00 0.00 H new ATOM 0 HG23 VAL A 3 52.012 -13.938 12.786 1.00 0.00 H new ATOM 50 N LYS A 4 56.900 -14.259 14.271 1.00 0.00 N ATOM 51 CA LYS A 4 58.300 -13.885 14.432 1.00 0.00 C ATOM 52 C LYS A 4 59.187 -14.712 13.507 1.00 0.00 C ATOM 53 O LYS A 4 58.759 -15.732 12.968 1.00 0.00 O ATOM 54 CB LYS A 4 58.734 -14.098 15.883 1.00 0.00 C ATOM 55 CG LYS A 4 57.978 -15.292 16.472 1.00 0.00 C ATOM 56 CD LYS A 4 58.441 -15.529 17.911 1.00 0.00 C ATOM 57 CE LYS A 4 57.701 -16.735 18.493 1.00 0.00 C ATOM 58 NZ LYS A 4 56.275 -16.374 18.731 1.00 0.00 N ATOM 0 H LYS A 4 56.692 -15.233 14.490 1.00 0.00 H new ATOM 0 HA LYS A 4 58.407 -12.832 14.172 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.808 -14.275 15.930 1.00 0.00 H new ATOM 0 HB3 LYS A 4 58.533 -13.201 16.469 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.905 -15.103 16.450 1.00 0.00 H new ATOM 0 HG3 LYS A 4 58.157 -16.183 15.870 1.00 0.00 H new ATOM 0 HD2 LYS A 4 59.517 -15.703 17.934 1.00 0.00 H new ATOM 0 HD3 LYS A 4 58.248 -14.644 18.517 1.00 0.00 H new ATOM 0 HE2 LYS A 4 57.764 -17.580 17.807 1.00 0.00 H new ATOM 0 HE3 LYS A 4 58.169 -17.047 19.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 55.835 -17.085 19.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 56.225 -15.440 19.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 55.768 -16.344 17.823 1.00 0.00 H new ATOM 72 N GLN A 5 60.426 -14.264 13.328 1.00 0.00 N ATOM 73 CA GLN A 5 61.368 -14.970 12.467 1.00 0.00 C ATOM 74 C GLN A 5 62.804 -14.636 12.858 1.00 0.00 C ATOM 75 O GLN A 5 63.168 -13.467 12.981 1.00 0.00 O ATOM 76 CB GLN A 5 61.131 -14.582 11.006 1.00 0.00 C ATOM 77 CG GLN A 5 59.948 -15.377 10.450 1.00 0.00 C ATOM 78 CD GLN A 5 59.717 -15.013 8.987 1.00 0.00 C ATOM 79 OE1 GLN A 5 59.112 -13.984 8.691 1.00 0.00 O ATOM 80 NE2 GLN A 5 60.166 -15.803 8.050 1.00 0.00 N ATOM 0 H GLN A 5 60.799 -13.421 13.765 1.00 0.00 H new ATOM 0 HA GLN A 5 61.210 -16.042 12.588 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.931 -13.513 10.931 1.00 0.00 H new ATOM 0 HB3 GLN A 5 62.026 -14.782 10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 5 60.142 -16.446 10.541 1.00 0.00 H new ATOM 0 HG3 GLN A 5 59.051 -15.165 11.032 1.00 0.00 H new ATOM 0 HE21 GLN A 5 60.667 -16.656 8.299 1.00 0.00 H new ATOM 0 HE22 GLN A 5 60.015 -15.568 7.069 1.00 0.00 H new ATOM 89 N THR A 6 63.615 -15.671 13.051 1.00 0.00 N ATOM 90 CA THR A 6 65.011 -15.474 13.429 1.00 0.00 C ATOM 91 C THR A 6 65.851 -15.119 12.206 1.00 0.00 C ATOM 92 O THR A 6 65.844 -15.836 11.206 1.00 0.00 O ATOM 93 CB THR A 6 65.561 -16.747 14.078 1.00 0.00 C ATOM 94 OG1 THR A 6 64.507 -17.685 14.243 1.00 0.00 O ATOM 95 CG2 THR A 6 66.162 -16.407 15.442 1.00 0.00 C ATOM 0 H THR A 6 63.334 -16.647 12.953 1.00 0.00 H new ATOM 0 HA THR A 6 65.063 -14.652 14.143 1.00 0.00 H new ATOM 0 HB THR A 6 66.334 -17.176 13.440 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.857 -18.501 14.657 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.553 -17.314 15.903 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.970 -15.687 15.314 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.391 -15.978 16.082 1.00 0.00 H new ATOM 103 N VAL A 7 66.574 -14.007 12.295 1.00 0.00 N ATOM 104 CA VAL A 7 67.417 -13.566 11.190 1.00 0.00 C ATOM 105 C VAL A 7 68.824 -13.244 11.684 1.00 0.00 C ATOM 106 O VAL A 7 68.996 -12.531 12.672 1.00 0.00 O ATOM 107 CB VAL A 7 66.809 -12.327 10.532 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.725 -11.844 9.407 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.436 -12.679 9.954 1.00 0.00 C ATOM 0 H VAL A 7 66.593 -13.399 13.114 1.00 0.00 H new ATOM 0 HA VAL A 7 67.477 -14.373 10.459 1.00 0.00 H new ATOM 0 HB VAL A 7 66.700 -11.538 11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.291 -10.961 8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.704 -11.594 9.817 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.834 -12.633 8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.002 -11.796 9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.546 -13.468 9.210 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.782 -13.023 10.755 1.00 0.00 H new ATOM 119 N GLU A 8 69.826 -13.771 10.987 1.00 0.00 N ATOM 120 CA GLU A 8 71.214 -13.531 11.364 1.00 0.00 C ATOM 121 C GLU A 8 71.650 -12.134 10.931 1.00 0.00 C ATOM 122 O GLU A 8 71.408 -11.721 9.798 1.00 0.00 O ATOM 123 CB GLU A 8 72.121 -14.576 10.711 1.00 0.00 C ATOM 124 CG GLU A 8 71.603 -15.978 11.041 1.00 0.00 C ATOM 125 CD GLU A 8 72.524 -17.031 10.435 1.00 0.00 C ATOM 126 OE1 GLU A 8 73.164 -16.727 9.441 1.00 0.00 O ATOM 127 OE2 GLU A 8 72.577 -18.124 10.973 1.00 0.00 O ATOM 0 H GLU A 8 69.704 -14.362 10.165 1.00 0.00 H new ATOM 0 HA GLU A 8 71.296 -13.607 12.448 1.00 0.00 H new ATOM 0 HB2 GLU A 8 72.144 -14.430 9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 8 73.144 -14.461 11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 8 71.549 -16.109 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 8 70.592 -16.101 10.654 1.00 0.00 H new ATOM 134 N ILE A 9 72.294 -11.412 11.843 1.00 0.00 N ATOM 135 CA ILE A 9 72.757 -10.062 11.545 1.00 0.00 C ATOM 136 C ILE A 9 74.110 -10.101 10.842 1.00 0.00 C ATOM 137 O ILE A 9 75.103 -10.557 11.410 1.00 0.00 O ATOM 138 CB ILE A 9 72.875 -9.254 12.839 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.487 -8.771 13.265 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.785 -8.046 12.605 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.788 -8.111 12.075 1.00 0.00 C ATOM 0 H ILE A 9 72.506 -11.736 12.787 1.00 0.00 H new ATOM 0 HA ILE A 9 72.032 -9.587 10.884 1.00 0.00 H new ATOM 0 HB ILE A 9 73.299 -9.882 13.623 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.894 -9.610 13.629 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.574 -8.062 14.088 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.869 -7.470 13.527 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.774 -8.389 12.300 1.00 0.00 H new ATOM 0 HG23 ILE A 9 73.361 -7.417 11.822 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.799 -7.767 12.379 1.00 0.00 H new ATOM 0 HD12 ILE A 9 71.378 -7.261 11.732 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.688 -8.834 11.265 1.00 0.00 H new ATOM 297 N PRO A 19 67.048 0.353 6.223 1.00 0.00 N ATOM 298 CA PRO A 19 66.130 -0.715 6.710 1.00 0.00 C ATOM 299 C PRO A 19 65.445 -0.330 8.019 1.00 0.00 C ATOM 300 O PRO A 19 64.217 -0.297 8.102 1.00 0.00 O ATOM 301 CB PRO A 19 67.051 -1.920 6.908 1.00 0.00 C ATOM 302 CG PRO A 19 68.197 -1.701 5.975 1.00 0.00 C ATOM 303 CD PRO A 19 68.351 -0.187 5.809 1.00 0.00 C ATOM 0 HA PRO A 19 65.316 -0.907 6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.393 -1.988 7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.533 -2.852 6.682 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.111 -2.141 6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.009 -2.178 5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.159 0.202 6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.584 0.079 4.778 1.00 0.00 H new ATOM 311 N ALA A 20 66.248 -0.040 9.038 1.00 0.00 N ATOM 312 CA ALA A 20 65.708 0.343 10.337 1.00 0.00 C ATOM 313 C ALA A 20 64.847 1.594 10.210 1.00 0.00 C ATOM 314 O ALA A 20 63.731 1.647 10.729 1.00 0.00 O ATOM 315 CB ALA A 20 66.850 0.605 11.321 1.00 0.00 C ATOM 0 H ALA A 20 67.267 -0.063 8.990 1.00 0.00 H new ATOM 0 HA ALA A 20 65.090 -0.474 10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.438 0.891 12.289 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.448 -0.299 11.434 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.479 1.411 10.942 1.00 0.00 H new ATOM 321 N MET A 21 65.370 2.599 9.515 1.00 0.00 N ATOM 322 CA MET A 21 64.639 3.846 9.325 1.00 0.00 C ATOM 323 C MET A 21 63.386 3.608 8.489 1.00 0.00 C ATOM 324 O MET A 21 62.320 4.152 8.780 1.00 0.00 O ATOM 325 CB MET A 21 65.531 4.874 8.628 1.00 0.00 C ATOM 326 CG MET A 21 66.597 5.372 9.605 1.00 0.00 C ATOM 327 SD MET A 21 67.638 6.606 8.788 1.00 0.00 S ATOM 328 CE MET A 21 68.770 6.898 10.168 1.00 0.00 C ATOM 0 H MET A 21 66.291 2.575 9.077 1.00 0.00 H new ATOM 0 HA MET A 21 64.344 4.226 10.303 1.00 0.00 H new ATOM 0 HB2 MET A 21 66.004 4.427 7.754 1.00 0.00 H new ATOM 0 HB3 MET A 21 64.930 5.711 8.272 1.00 0.00 H new ATOM 0 HG2 MET A 21 66.124 5.806 10.486 1.00 0.00 H new ATOM 0 HG3 MET A 21 67.207 4.537 9.950 1.00 0.00 H new ATOM 0 HE1 MET A 21 69.512 7.642 9.879 1.00 0.00 H new ATOM 0 HE2 MET A 21 68.208 7.261 11.029 1.00 0.00 H new ATOM 0 HE3 MET A 21 69.273 5.967 10.430 1.00 0.00 H new ATOM 338 N LYS A 22 63.520 2.789 7.450 1.00 0.00 N ATOM 339 CA LYS A 22 62.391 2.484 6.580 1.00 0.00 C ATOM 340 C LYS A 22 61.294 1.769 7.360 1.00 0.00 C ATOM 341 O LYS A 22 60.106 2.000 7.134 1.00 0.00 O ATOM 342 CB LYS A 22 62.851 1.602 5.416 1.00 0.00 C ATOM 343 CG LYS A 22 63.519 2.472 4.350 1.00 0.00 C ATOM 344 CD LYS A 22 63.752 1.643 3.086 1.00 0.00 C ATOM 345 CE LYS A 22 64.521 2.478 2.061 1.00 0.00 C ATOM 346 NZ LYS A 22 63.680 3.628 1.625 1.00 0.00 N ATOM 0 H LYS A 22 64.393 2.328 7.192 1.00 0.00 H new ATOM 0 HA LYS A 22 61.993 3.421 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.549 0.845 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 22 61.999 1.073 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 22 62.891 3.333 4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 22 64.467 2.859 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 22 64.312 0.740 3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.798 1.323 2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 22 65.453 2.840 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.788 1.863 1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.082 4.044 0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.713 3.298 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.657 4.346 2.377 1.00 0.00 H new ATOM 360 N LEU A 23 61.699 0.901 8.282 1.00 0.00 N ATOM 361 CA LEU A 23 60.740 0.159 9.091 1.00 0.00 C ATOM 362 C LEU A 23 59.691 1.102 9.672 1.00 0.00 C ATOM 363 O LEU A 23 58.494 0.817 9.631 1.00 0.00 O ATOM 364 CB LEU A 23 61.464 -0.565 10.227 1.00 0.00 C ATOM 365 CG LEU A 23 61.389 -2.076 10.000 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.257 -2.792 11.036 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.938 -2.540 10.142 1.00 0.00 C ATOM 0 H LEU A 23 62.677 0.696 8.486 1.00 0.00 H new ATOM 0 HA LEU A 23 60.243 -0.573 8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.505 -0.245 10.271 1.00 0.00 H new ATOM 0 HB3 LEU A 23 61.010 -0.307 11.184 1.00 0.00 H new ATOM 0 HG LEU A 23 61.751 -2.312 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.203 -3.869 10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.291 -2.461 10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 23 61.896 -2.557 12.037 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.883 -3.617 9.981 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.577 -2.304 11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.319 -2.030 9.404 1.00 0.00 H new ATOM 379 N PHE A 24 60.149 2.227 10.211 1.00 0.00 N ATOM 380 CA PHE A 24 59.240 3.206 10.795 1.00 0.00 C ATOM 381 C PHE A 24 58.192 3.635 9.774 1.00 0.00 C ATOM 382 O PHE A 24 57.010 3.759 10.097 1.00 0.00 O ATOM 383 CB PHE A 24 60.025 4.432 11.268 1.00 0.00 C ATOM 384 CG PHE A 24 60.496 4.213 12.686 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.691 3.525 12.928 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.737 4.697 13.758 1.00 0.00 C ATOM 387 CE1 PHE A 24 62.128 3.322 14.243 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.174 4.495 15.072 1.00 0.00 C ATOM 389 CZ PHE A 24 61.369 3.807 15.315 1.00 0.00 C ATOM 0 H PHE A 24 61.136 2.482 10.256 1.00 0.00 H new ATOM 0 HA PHE A 24 58.738 2.746 11.646 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.879 4.605 10.613 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.397 5.321 11.215 1.00 0.00 H new ATOM 0 HD1 PHE A 24 62.276 3.151 12.101 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.814 5.226 13.571 1.00 0.00 H new ATOM 0 HE1 PHE A 24 63.050 2.792 14.430 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.589 4.870 15.899 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.705 3.650 16.329 1.00 0.00 H new ATOM 399 N GLU A 25 58.633 3.856 8.540 1.00 0.00 N ATOM 400 CA GLU A 25 57.724 4.267 7.476 1.00 0.00 C ATOM 401 C GLU A 25 56.814 3.111 7.078 1.00 0.00 C ATOM 402 O GLU A 25 55.633 3.307 6.794 1.00 0.00 O ATOM 403 CB GLU A 25 58.521 4.736 6.259 1.00 0.00 C ATOM 404 CG GLU A 25 57.560 5.238 5.180 1.00 0.00 C ATOM 405 CD GLU A 25 56.956 4.056 4.430 1.00 0.00 C ATOM 406 OE1 GLU A 25 57.645 3.062 4.276 1.00 0.00 O ATOM 407 OE2 GLU A 25 55.812 4.163 4.020 1.00 0.00 O ATOM 0 H GLU A 25 59.607 3.758 8.253 1.00 0.00 H new ATOM 0 HA GLU A 25 57.110 5.089 7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.209 5.531 6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 25 59.126 3.917 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.769 5.834 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 25 58.089 5.889 4.484 1.00 0.00 H new ATOM 414 N LEU A 26 57.373 1.904 7.061 1.00 0.00 N ATOM 415 CA LEU A 26 56.601 0.721 6.697 1.00 0.00 C ATOM 416 C LEU A 26 55.478 0.489 7.702 1.00 0.00 C ATOM 417 O LEU A 26 54.349 0.177 7.325 1.00 0.00 O ATOM 418 CB LEU A 26 57.514 -0.506 6.656 1.00 0.00 C ATOM 419 CG LEU A 26 58.564 -0.327 5.558 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.498 -1.537 5.541 1.00 0.00 C ATOM 421 CD2 LEU A 26 57.865 -0.205 4.201 1.00 0.00 C ATOM 0 H LEU A 26 58.349 1.721 7.293 1.00 0.00 H new ATOM 0 HA LEU A 26 56.165 0.881 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 26 58.002 -0.641 7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.925 -1.404 6.468 1.00 0.00 H new ATOM 0 HG LEU A 26 59.143 0.576 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 26 60.246 -1.409 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 26 59.995 -1.626 6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 26 58.920 -2.440 5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.612 -0.077 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 57.286 -1.108 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.199 0.658 4.211 1.00 0.00 H new ATOM 433 N MET A 27 55.797 0.645 8.984 1.00 0.00 N ATOM 434 CA MET A 27 54.805 0.452 10.036 1.00 0.00 C ATOM 435 C MET A 27 53.607 1.370 9.816 1.00 0.00 C ATOM 436 O MET A 27 52.466 0.990 10.076 1.00 0.00 O ATOM 437 CB MET A 27 55.429 0.741 11.402 1.00 0.00 C ATOM 438 CG MET A 27 56.395 -0.385 11.772 1.00 0.00 C ATOM 439 SD MET A 27 57.519 0.186 13.071 1.00 0.00 S ATOM 440 CE MET A 27 56.282 0.368 14.379 1.00 0.00 C ATOM 0 H MET A 27 56.726 0.902 9.317 1.00 0.00 H new ATOM 0 HA MET A 27 54.466 -0.583 10.005 1.00 0.00 H new ATOM 0 HB2 MET A 27 55.957 1.694 11.378 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.649 0.828 12.158 1.00 0.00 H new ATOM 0 HG2 MET A 27 55.839 -1.257 12.115 1.00 0.00 H new ATOM 0 HG3 MET A 27 56.963 -0.694 10.895 1.00 0.00 H new ATOM 0 HE1 MET A 27 56.770 0.313 15.352 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.784 1.332 14.277 1.00 0.00 H new ATOM 0 HE3 MET A 27 55.546 -0.431 14.297 1.00 0.00 H new ATOM 450 N GLN A 28 53.877 2.579 9.333 1.00 0.00 N ATOM 451 CA GLN A 28 52.813 3.543 9.081 1.00 0.00 C ATOM 452 C GLN A 28 51.871 3.027 7.998 1.00 0.00 C ATOM 453 O GLN A 28 50.652 3.156 8.110 1.00 0.00 O ATOM 454 CB GLN A 28 53.414 4.880 8.642 1.00 0.00 C ATOM 455 CG GLN A 28 52.325 5.955 8.644 1.00 0.00 C ATOM 456 CD GLN A 28 52.915 7.294 8.217 1.00 0.00 C ATOM 457 OE1 GLN A 28 53.416 7.426 7.100 1.00 0.00 O ATOM 458 NE2 GLN A 28 52.884 8.304 9.044 1.00 0.00 N ATOM 0 H GLN A 28 54.815 2.912 9.110 1.00 0.00 H new ATOM 0 HA GLN A 28 52.248 3.684 10.003 1.00 0.00 H new ATOM 0 HB2 GLN A 28 54.223 5.166 9.315 1.00 0.00 H new ATOM 0 HB3 GLN A 28 53.846 4.787 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 28 51.520 5.670 7.967 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.889 6.041 9.639 1.00 0.00 H new ATOM 0 HE21 GLN A 28 52.469 8.193 9.969 1.00 0.00 H new ATOM 0 HE22 GLN A 28 53.275 9.204 8.765 1.00 0.00 H new ATOM 467 N GLY A 29 52.444 2.443 6.951 1.00 0.00 N ATOM 468 CA GLY A 29 51.645 1.909 5.854 1.00 0.00 C ATOM 469 C GLY A 29 51.259 0.459 6.120 1.00 0.00 C ATOM 470 O GLY A 29 50.305 -0.056 5.536 1.00 0.00 O ATOM 0 H GLY A 29 53.451 2.328 6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 29 50.746 2.512 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.208 1.975 4.923 1.00 0.00 H new ATOM 474 N PHE A 30 52.006 -0.194 7.003 1.00 0.00 N ATOM 475 CA PHE A 30 51.732 -1.587 7.340 1.00 0.00 C ATOM 476 C PHE A 30 50.957 -1.679 8.650 1.00 0.00 C ATOM 477 O PHE A 30 51.381 -1.139 9.672 1.00 0.00 O ATOM 478 CB PHE A 30 53.045 -2.361 7.468 1.00 0.00 C ATOM 479 CG PHE A 30 53.570 -2.699 6.093 1.00 0.00 C ATOM 480 CD1 PHE A 30 53.869 -1.674 5.187 1.00 0.00 C ATOM 481 CD2 PHE A 30 53.758 -4.036 5.724 1.00 0.00 C ATOM 482 CE1 PHE A 30 54.355 -1.987 3.912 1.00 0.00 C ATOM 483 CE2 PHE A 30 54.244 -4.349 4.449 1.00 0.00 C ATOM 484 CZ PHE A 30 54.543 -3.324 3.543 1.00 0.00 C ATOM 0 H PHE A 30 52.800 0.214 7.496 1.00 0.00 H new ATOM 0 HA PHE A 30 51.129 -2.022 6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 30 53.778 -1.766 8.012 1.00 0.00 H new ATOM 0 HB3 PHE A 30 52.886 -3.274 8.042 1.00 0.00 H new ATOM 0 HD1 PHE A 30 53.725 -0.642 5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 30 53.528 -4.826 6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 30 54.585 -1.197 3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 30 54.388 -5.381 4.164 1.00 0.00 H new ATOM 0 HZ PHE A 30 54.919 -3.565 2.560 1.00 0.00 H new ATOM 494 N ASP A 31 49.821 -2.366 8.614 1.00 0.00 N ATOM 495 CA ASP A 31 48.995 -2.521 9.806 1.00 0.00 C ATOM 496 C ASP A 31 49.539 -3.638 10.691 1.00 0.00 C ATOM 497 O ASP A 31 49.235 -4.812 10.482 1.00 0.00 O ATOM 498 CB ASP A 31 47.553 -2.841 9.405 1.00 0.00 C ATOM 499 CG ASP A 31 46.857 -1.578 8.914 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.457 -0.520 9.005 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.732 -1.686 8.453 1.00 0.00 O ATOM 0 H ASP A 31 49.453 -2.822 7.779 1.00 0.00 H new ATOM 0 HA ASP A 31 49.016 -1.586 10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.544 -3.599 8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 31 47.014 -3.256 10.256 1.00 0.00 H new ATOM 506 N ALA A 32 50.344 -3.263 11.680 1.00 0.00 N ATOM 507 CA ALA A 32 50.925 -4.242 12.592 1.00 0.00 C ATOM 508 C ALA A 32 52.098 -3.635 13.354 1.00 0.00 C ATOM 509 O ALA A 32 52.751 -2.709 12.874 1.00 0.00 O ATOM 510 CB ALA A 32 51.402 -5.466 11.808 1.00 0.00 C ATOM 0 H ALA A 32 50.607 -2.296 11.870 1.00 0.00 H new ATOM 0 HA ALA A 32 50.160 -4.544 13.307 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.835 -6.193 12.496 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.557 -5.917 11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.155 -5.162 11.081 1.00 0.00 H new ATOM 516 N GLU A 33 52.360 -4.164 14.546 1.00 0.00 N ATOM 517 CA GLU A 33 53.457 -3.666 15.367 1.00 0.00 C ATOM 518 C GLU A 33 54.683 -4.563 15.224 1.00 0.00 C ATOM 519 O GLU A 33 54.603 -5.775 15.426 1.00 0.00 O ATOM 520 CB GLU A 33 53.029 -3.613 16.835 1.00 0.00 C ATOM 521 CG GLU A 33 54.107 -2.901 17.656 1.00 0.00 C ATOM 522 CD GLU A 33 53.644 -2.745 19.100 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.528 -3.144 19.390 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.412 -2.228 19.895 1.00 0.00 O ATOM 0 H GLU A 33 51.832 -4.931 14.962 1.00 0.00 H new ATOM 0 HA GLU A 33 53.713 -2.662 15.028 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.079 -3.087 16.929 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.874 -4.622 17.216 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.036 -3.470 17.623 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.317 -1.922 17.225 1.00 0.00 H new ATOM 531 N VAL A 34 55.814 -3.961 14.874 1.00 0.00 N ATOM 532 CA VAL A 34 57.050 -4.717 14.705 1.00 0.00 C ATOM 533 C VAL A 34 57.975 -4.504 15.900 1.00 0.00 C ATOM 534 O VAL A 34 58.131 -3.384 16.385 1.00 0.00 O ATOM 535 CB VAL A 34 57.760 -4.279 13.424 1.00 0.00 C ATOM 536 CG1 VAL A 34 59.124 -4.966 13.336 1.00 0.00 C ATOM 537 CG2 VAL A 34 56.912 -4.674 12.212 1.00 0.00 C ATOM 0 H VAL A 34 55.901 -2.959 14.703 1.00 0.00 H new ATOM 0 HA VAL A 34 56.800 -5.776 14.637 1.00 0.00 H new ATOM 0 HB VAL A 34 57.898 -3.198 13.436 1.00 0.00 H new ATOM 0 HG11 VAL A 34 59.630 -4.654 12.423 1.00 0.00 H new ATOM 0 HG12 VAL A 34 59.728 -4.687 14.199 1.00 0.00 H new ATOM 0 HG13 VAL A 34 58.987 -6.047 13.323 1.00 0.00 H new ATOM 0 HG21 VAL A 34 57.417 -4.362 11.298 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.775 -5.755 12.201 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.939 -4.186 12.274 1.00 0.00 H new ATOM 547 N LEU A 35 58.586 -5.587 16.368 1.00 0.00 N ATOM 548 CA LEU A 35 59.494 -5.509 17.506 1.00 0.00 C ATOM 549 C LEU A 35 60.735 -6.364 17.262 1.00 0.00 C ATOM 550 O LEU A 35 60.637 -7.490 16.775 1.00 0.00 O ATOM 551 CB LEU A 35 58.785 -5.987 18.775 1.00 0.00 C ATOM 552 CG LEU A 35 59.812 -6.181 19.892 1.00 0.00 C ATOM 553 CD1 LEU A 35 59.249 -5.632 21.204 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.112 -7.673 20.052 1.00 0.00 C ATOM 0 H LEU A 35 58.470 -6.523 15.980 1.00 0.00 H new ATOM 0 HA LEU A 35 59.800 -4.470 17.631 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.033 -5.259 19.080 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.262 -6.923 18.581 1.00 0.00 H new ATOM 0 HG LEU A 35 60.729 -5.649 19.640 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.981 -5.770 22.000 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.032 -4.570 21.091 1.00 0.00 H new ATOM 0 HD13 LEU A 35 58.332 -6.164 21.458 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.844 -7.814 20.848 1.00 0.00 H new ATOM 0 HD22 LEU A 35 59.194 -8.204 20.305 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.512 -8.066 19.117 1.00 0.00 H new ATOM 566 N LEU A 36 61.898 -5.820 17.601 1.00 0.00 N ATOM 567 CA LEU A 36 63.152 -6.543 17.413 1.00 0.00 C ATOM 568 C LEU A 36 63.715 -6.999 18.755 1.00 0.00 C ATOM 569 O LEU A 36 63.528 -6.336 19.775 1.00 0.00 O ATOM 570 CB LEU A 36 64.171 -5.645 16.708 1.00 0.00 C ATOM 571 CG LEU A 36 63.615 -5.207 15.352 1.00 0.00 C ATOM 572 CD1 LEU A 36 64.181 -3.835 14.986 1.00 0.00 C ATOM 573 CD2 LEU A 36 64.018 -6.227 14.285 1.00 0.00 C ATOM 0 H LEU A 36 62.000 -4.889 18.004 1.00 0.00 H new ATOM 0 HA LEU A 36 62.955 -7.421 16.798 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.388 -4.772 17.323 1.00 0.00 H new ATOM 0 HB3 LEU A 36 65.110 -6.181 16.572 1.00 0.00 H new ATOM 0 HG LEU A 36 62.528 -5.147 15.407 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.784 -3.524 14.020 1.00 0.00 H new ATOM 0 HD12 LEU A 36 63.895 -3.109 15.747 1.00 0.00 H new ATOM 0 HD13 LEU A 36 65.268 -3.893 14.930 1.00 0.00 H new ATOM 0 HD21 LEU A 36 63.623 -5.917 13.318 1.00 0.00 H new ATOM 0 HD22 LEU A 36 65.105 -6.287 14.231 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.614 -7.205 14.546 1.00 0.00 H new ATOM 585 N ARG A 37 64.406 -8.134 18.745 1.00 0.00 N ATOM 586 CA ARG A 37 64.994 -8.671 19.968 1.00 0.00 C ATOM 587 C ARG A 37 66.292 -9.409 19.658 1.00 0.00 C ATOM 588 O ARG A 37 66.361 -10.192 18.711 1.00 0.00 O ATOM 589 CB ARG A 37 64.010 -9.626 20.644 1.00 0.00 C ATOM 590 CG ARG A 37 64.783 -10.645 21.483 1.00 0.00 C ATOM 591 CD ARG A 37 63.854 -11.249 22.539 1.00 0.00 C ATOM 592 NE ARG A 37 62.728 -11.918 21.897 1.00 0.00 N ATOM 593 CZ ARG A 37 62.832 -13.169 21.460 1.00 0.00 C ATOM 594 NH1 ARG A 37 61.810 -13.747 20.889 1.00 0.00 N ATOM 595 NH2 ARG A 37 63.954 -13.819 21.600 1.00 0.00 N ATOM 0 H ARG A 37 64.572 -8.697 17.911 1.00 0.00 H new ATOM 0 HA ARG A 37 65.213 -7.841 20.640 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.320 -9.067 21.276 1.00 0.00 H new ATOM 0 HB3 ARG A 37 63.409 -10.138 19.892 1.00 0.00 H new ATOM 0 HG2 ARG A 37 65.182 -11.431 20.842 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.634 -10.164 21.965 1.00 0.00 H new ATOM 0 HD2 ARG A 37 64.405 -11.960 23.155 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.490 -10.466 23.204 1.00 0.00 H new ATOM 0 HE ARG A 37 61.847 -11.418 21.782 1.00 0.00 H new ATOM 0 HH11 ARG A 37 60.933 -13.239 20.779 1.00 0.00 H new ATOM 0 HH12 ARG A 37 61.889 -14.707 20.553 1.00 0.00 H new ATOM 0 HH21 ARG A 37 64.753 -13.367 22.045 1.00 0.00 H new ATOM 0 HH22 ARG A 37 64.033 -14.779 21.264 1.00 0.00 H new ATOM 609 N ASN A 38 67.319 -9.153 20.462 1.00 0.00 N ATOM 610 CA ASN A 38 68.611 -9.800 20.265 1.00 0.00 C ATOM 611 C ASN A 38 68.679 -11.110 21.042 1.00 0.00 C ATOM 612 O ASN A 38 67.955 -11.302 22.019 1.00 0.00 O ATOM 613 CB ASN A 38 69.736 -8.871 20.728 1.00 0.00 C ATOM 614 CG ASN A 38 69.856 -7.684 19.778 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.365 -7.738 18.650 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.483 -6.609 20.169 1.00 0.00 N ATOM 0 H ASN A 38 67.283 -8.507 21.250 1.00 0.00 H new ATOM 0 HA ASN A 38 68.730 -10.015 19.203 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.535 -8.519 21.740 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.679 -9.417 20.762 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.567 -5.811 19.540 1.00 0.00 H new ATOM 0 HD22 ASN A 38 70.889 -6.567 21.104 1.00 0.00 H new ATOM 623 N ASP A 39 69.555 -12.009 20.601 1.00 0.00 N ATOM 624 CA ASP A 39 69.708 -13.299 21.264 1.00 0.00 C ATOM 625 C ASP A 39 69.991 -13.106 22.751 1.00 0.00 C ATOM 626 O ASP A 39 69.682 -13.973 23.568 1.00 0.00 O ATOM 627 CB ASP A 39 70.855 -14.082 20.622 1.00 0.00 C ATOM 628 CG ASP A 39 70.912 -15.492 21.200 1.00 0.00 C ATOM 629 OD1 ASP A 39 69.990 -16.250 20.951 1.00 0.00 O ATOM 630 OD2 ASP A 39 71.876 -15.792 21.885 1.00 0.00 O ATOM 0 H ASP A 39 70.164 -11.869 19.795 1.00 0.00 H new ATOM 0 HA ASP A 39 68.779 -13.858 21.152 1.00 0.00 H new ATOM 0 HB2 ASP A 39 70.715 -14.128 19.542 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.800 -13.569 20.799 1.00 0.00 H new ATOM 635 N GLU A 40 70.580 -11.965 23.093 1.00 0.00 N ATOM 636 CA GLU A 40 70.899 -11.670 24.484 1.00 0.00 C ATOM 637 C GLU A 40 69.624 -11.477 25.298 1.00 0.00 C ATOM 638 O GLU A 40 69.664 -11.399 26.526 1.00 0.00 O ATOM 639 CB GLU A 40 71.755 -10.404 24.567 1.00 0.00 C ATOM 640 CG GLU A 40 73.044 -10.606 23.768 1.00 0.00 C ATOM 641 CD GLU A 40 73.966 -11.573 24.502 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.763 -11.769 25.689 1.00 0.00 O ATOM 643 OE2 GLU A 40 74.863 -12.104 23.867 1.00 0.00 O ATOM 0 H GLU A 40 70.844 -11.235 22.432 1.00 0.00 H new ATOM 0 HA GLU A 40 71.455 -12.513 24.895 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.201 -9.551 24.174 1.00 0.00 H new ATOM 0 HB3 GLU A 40 71.991 -10.179 25.607 1.00 0.00 H new ATOM 0 HG2 GLU A 40 72.810 -10.995 22.777 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.546 -9.649 23.625 1.00 0.00 H new ATOM 650 N GLY A 41 68.492 -11.400 24.604 1.00 0.00 N ATOM 651 CA GLY A 41 67.209 -11.216 25.273 1.00 0.00 C ATOM 652 C GLY A 41 66.877 -9.735 25.414 1.00 0.00 C ATOM 653 O GLY A 41 65.980 -9.359 26.170 1.00 0.00 O ATOM 0 H GLY A 41 68.437 -11.462 23.587 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.424 -11.717 24.706 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.238 -11.682 26.258 1.00 0.00 H new ATOM 657 N THR A 42 67.605 -8.898 24.682 1.00 0.00 N ATOM 658 CA THR A 42 67.378 -7.457 24.734 1.00 0.00 C ATOM 659 C THR A 42 66.284 -7.051 23.751 1.00 0.00 C ATOM 660 O THR A 42 66.428 -7.225 22.541 1.00 0.00 O ATOM 661 CB THR A 42 68.671 -6.712 24.397 1.00 0.00 C ATOM 662 OG1 THR A 42 69.499 -6.660 25.551 1.00 0.00 O ATOM 663 CG2 THR A 42 68.340 -5.292 23.940 1.00 0.00 C ATOM 0 H THR A 42 68.351 -9.189 24.050 1.00 0.00 H new ATOM 0 HA THR A 42 67.060 -7.195 25.743 1.00 0.00 H new ATOM 0 HB THR A 42 69.194 -7.235 23.596 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.329 -6.185 25.337 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.262 -4.763 23.700 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.705 -5.333 23.055 1.00 0.00 H new ATOM 0 HG23 THR A 42 67.816 -4.766 24.738 1.00 0.00 H new ATOM 671 N GLU A 43 65.191 -6.511 24.280 1.00 0.00 N ATOM 672 CA GLU A 43 64.079 -6.084 23.438 1.00 0.00 C ATOM 673 C GLU A 43 64.373 -4.725 22.812 1.00 0.00 C ATOM 674 O GLU A 43 64.323 -3.696 23.485 1.00 0.00 O ATOM 675 CB GLU A 43 62.798 -5.998 24.270 1.00 0.00 C ATOM 676 CG GLU A 43 62.336 -7.408 24.644 1.00 0.00 C ATOM 677 CD GLU A 43 61.172 -7.331 25.626 1.00 0.00 C ATOM 678 OE1 GLU A 43 60.923 -6.252 26.137 1.00 0.00 O ATOM 679 OE2 GLU A 43 60.546 -8.354 25.853 1.00 0.00 O ATOM 0 H GLU A 43 65.051 -6.359 25.279 1.00 0.00 H new ATOM 0 HA GLU A 43 63.947 -6.817 22.642 1.00 0.00 H new ATOM 0 HB2 GLU A 43 62.976 -5.411 25.171 1.00 0.00 H new ATOM 0 HB3 GLU A 43 62.019 -5.486 23.705 1.00 0.00 H new ATOM 0 HG2 GLU A 43 62.032 -7.950 23.748 1.00 0.00 H new ATOM 0 HG3 GLU A 43 63.161 -7.964 25.088 1.00 0.00 H new ATOM 686 N ALA A 44 64.679 -4.730 21.518 1.00 0.00 N ATOM 687 CA ALA A 44 64.978 -3.491 20.810 1.00 0.00 C ATOM 688 C ALA A 44 63.742 -2.981 20.076 1.00 0.00 C ATOM 689 O ALA A 44 63.638 -3.104 18.856 1.00 0.00 O ATOM 690 CB ALA A 44 66.110 -3.725 19.807 1.00 0.00 C ATOM 0 H ALA A 44 64.726 -5.571 20.943 1.00 0.00 H new ATOM 0 HA ALA A 44 65.287 -2.742 21.539 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.328 -2.795 19.281 1.00 0.00 H new ATOM 0 HB2 ALA A 44 67.002 -4.061 20.336 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.807 -4.486 19.088 1.00 0.00 H new ATOM 696 N GLU A 45 62.809 -2.406 20.828 1.00 0.00 N ATOM 697 CA GLU A 45 61.584 -1.881 20.240 1.00 0.00 C ATOM 698 C GLU A 45 61.882 -1.181 18.917 1.00 0.00 C ATOM 699 O GLU A 45 62.657 -0.225 18.870 1.00 0.00 O ATOM 700 CB GLU A 45 60.923 -0.889 21.198 1.00 0.00 C ATOM 701 CG GLU A 45 60.335 -1.645 22.385 1.00 0.00 C ATOM 702 CD GLU A 45 59.848 -0.660 23.443 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.132 -1.085 24.334 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.198 0.505 23.346 1.00 0.00 O ATOM 0 H GLU A 45 62.878 -2.293 21.839 1.00 0.00 H new ATOM 0 HA GLU A 45 60.908 -2.717 20.057 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.654 -0.159 21.544 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.139 -0.335 20.681 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.508 -2.273 22.053 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.087 -2.308 22.813 1.00 0.00 H new ATOM 711 N ALA A 46 61.263 -1.662 17.845 1.00 0.00 N ATOM 712 CA ALA A 46 61.470 -1.074 16.527 1.00 0.00 C ATOM 713 C ALA A 46 60.919 0.347 16.482 1.00 0.00 C ATOM 714 O ALA A 46 61.219 1.111 15.563 1.00 0.00 O ATOM 715 CB ALA A 46 60.778 -1.926 15.461 1.00 0.00 C ATOM 0 H ALA A 46 60.618 -2.452 17.862 1.00 0.00 H new ATOM 0 HA ALA A 46 62.541 -1.042 16.328 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.937 -1.480 14.479 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.194 -2.933 15.474 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.709 -1.972 15.670 1.00 0.00 H new ATOM 721 N ASN A 47 60.112 0.696 17.478 1.00 0.00 N ATOM 722 CA ASN A 47 59.525 2.030 17.542 1.00 0.00 C ATOM 723 C ASN A 47 60.314 2.917 18.500 1.00 0.00 C ATOM 724 O ASN A 47 59.757 3.818 19.126 1.00 0.00 O ATOM 725 CB ASN A 47 58.072 1.937 18.008 1.00 0.00 C ATOM 726 CG ASN A 47 57.449 3.329 18.054 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.488 3.994 19.089 1.00 0.00 O ATOM 728 ND2 ASN A 47 56.876 3.812 16.987 1.00 0.00 N ATOM 0 H ASN A 47 59.851 0.079 18.247 1.00 0.00 H new ATOM 0 HA ASN A 47 59.560 2.471 16.546 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.505 1.298 17.332 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.027 1.476 18.995 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.459 4.743 17.009 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.845 3.259 16.130 1.00 0.00 H new ATOM 735 N SER A 48 61.612 2.655 18.608 1.00 0.00 N ATOM 736 CA SER A 48 62.468 3.438 19.494 1.00 0.00 C ATOM 737 C SER A 48 63.866 3.576 18.903 1.00 0.00 C ATOM 738 O SER A 48 64.510 2.582 18.566 1.00 0.00 O ATOM 739 CB SER A 48 62.554 2.765 20.863 1.00 0.00 C ATOM 740 OG SER A 48 63.579 3.387 21.627 1.00 0.00 O ATOM 0 H SER A 48 62.092 1.913 18.098 1.00 0.00 H new ATOM 0 HA SER A 48 62.034 4.432 19.605 1.00 0.00 H new ATOM 0 HB2 SER A 48 61.598 2.845 21.381 1.00 0.00 H new ATOM 0 HB3 SER A 48 62.765 1.702 20.746 1.00 0.00 H new ATOM 0 HG SER A 48 63.637 2.959 22.507 1.00 0.00 H new ATOM 746 N VAL A 49 64.333 4.816 18.781 1.00 0.00 N ATOM 747 CA VAL A 49 65.657 5.072 18.231 1.00 0.00 C ATOM 748 C VAL A 49 66.737 4.529 19.161 1.00 0.00 C ATOM 749 O VAL A 49 67.800 4.100 18.711 1.00 0.00 O ATOM 750 CB VAL A 49 65.860 6.575 18.035 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.075 7.041 16.807 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.357 7.321 19.273 1.00 0.00 C ATOM 0 H VAL A 49 63.817 5.652 19.054 1.00 0.00 H new ATOM 0 HA VAL A 49 65.733 4.567 17.268 1.00 0.00 H new ATOM 0 HB VAL A 49 66.920 6.783 17.889 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.220 8.112 16.668 1.00 0.00 H new ATOM 0 HG12 VAL A 49 65.430 6.509 15.925 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.015 6.834 16.953 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.501 8.393 19.135 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.297 7.113 19.418 1.00 0.00 H new ATOM 0 HG23 VAL A 49 65.915 6.990 20.149 1.00 0.00 H new ATOM 762 N ILE A 50 66.455 4.549 20.459 1.00 0.00 N ATOM 763 CA ILE A 50 67.410 4.055 21.446 1.00 0.00 C ATOM 764 C ILE A 50 67.708 2.579 21.209 1.00 0.00 C ATOM 765 O ILE A 50 68.850 2.137 21.340 1.00 0.00 O ATOM 766 CB ILE A 50 66.848 4.244 22.856 1.00 0.00 C ATOM 767 CG1 ILE A 50 66.778 5.739 23.180 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.760 3.547 23.867 1.00 0.00 C ATOM 769 CD1 ILE A 50 65.899 5.953 24.413 1.00 0.00 C ATOM 0 H ILE A 50 65.581 4.899 20.851 1.00 0.00 H new ATOM 0 HA ILE A 50 68.335 4.622 21.345 1.00 0.00 H new ATOM 0 HB ILE A 50 65.849 3.812 22.910 1.00 0.00 H new ATOM 0 HG12 ILE A 50 67.779 6.130 23.362 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.371 6.287 22.330 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.359 3.682 24.872 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.812 2.483 23.637 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.759 3.979 23.814 1.00 0.00 H new ATOM 0 HD11 ILE A 50 65.849 7.017 24.644 1.00 0.00 H new ATOM 0 HD12 ILE A 50 64.895 5.577 24.214 1.00 0.00 H new ATOM 0 HD13 ILE A 50 66.325 5.417 25.261 1.00 0.00 H new ATOM 781 N ALA A 51 66.675 1.820 20.859 1.00 0.00 N ATOM 782 CA ALA A 51 66.838 0.393 20.606 1.00 0.00 C ATOM 783 C ALA A 51 67.664 0.163 19.344 1.00 0.00 C ATOM 784 O ALA A 51 68.535 -0.706 19.309 1.00 0.00 O ATOM 785 CB ALA A 51 65.468 -0.270 20.449 1.00 0.00 C ATOM 0 H ALA A 51 65.722 2.166 20.745 1.00 0.00 H new ATOM 0 HA ALA A 51 67.360 -0.049 21.454 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.599 -1.336 20.260 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.890 -0.132 21.363 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.938 0.184 19.612 1.00 0.00 H new ATOM 791 N LEU A 52 67.385 0.949 18.308 1.00 0.00 N ATOM 792 CA LEU A 52 68.110 0.823 17.049 1.00 0.00 C ATOM 793 C LEU A 52 69.609 0.984 17.275 1.00 0.00 C ATOM 794 O LEU A 52 70.417 0.279 16.671 1.00 0.00 O ATOM 795 CB LEU A 52 67.623 1.882 16.058 1.00 0.00 C ATOM 796 CG LEU A 52 66.660 1.241 15.058 1.00 0.00 C ATOM 797 CD1 LEU A 52 65.542 0.521 15.815 1.00 0.00 C ATOM 798 CD2 LEU A 52 66.053 2.327 14.168 1.00 0.00 C ATOM 0 H LEU A 52 66.668 1.674 18.315 1.00 0.00 H new ATOM 0 HA LEU A 52 67.922 -0.170 16.640 1.00 0.00 H new ATOM 0 HB2 LEU A 52 67.125 2.692 16.591 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.471 2.321 15.532 1.00 0.00 H new ATOM 0 HG LEU A 52 67.202 0.524 14.441 1.00 0.00 H new ATOM 0 HD11 LEU A 52 64.856 0.064 15.102 1.00 0.00 H new ATOM 0 HD12 LEU A 52 65.973 -0.252 16.451 1.00 0.00 H new ATOM 0 HD13 LEU A 52 65.000 1.238 16.432 1.00 0.00 H new ATOM 0 HD21 LEU A 52 65.366 1.871 13.455 1.00 0.00 H new ATOM 0 HD22 LEU A 52 65.512 3.043 14.786 1.00 0.00 H new ATOM 0 HD23 LEU A 52 66.848 2.842 13.628 1.00 0.00 H new ATOM 810 N LEU A 53 69.974 1.917 18.149 1.00 0.00 N ATOM 811 CA LEU A 53 71.381 2.161 18.446 1.00 0.00 C ATOM 812 C LEU A 53 71.985 0.975 19.189 1.00 0.00 C ATOM 813 O LEU A 53 73.170 0.674 19.039 1.00 0.00 O ATOM 814 CB LEU A 53 71.521 3.424 19.299 1.00 0.00 C ATOM 815 CG LEU A 53 72.216 4.516 18.484 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.234 5.819 19.285 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.653 4.086 18.180 1.00 0.00 C ATOM 0 H LEU A 53 69.321 2.512 18.660 1.00 0.00 H new ATOM 0 HA LEU A 53 71.915 2.295 17.505 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.539 3.767 19.623 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.096 3.206 20.199 1.00 0.00 H new ATOM 0 HG LEU A 53 71.676 4.672 17.550 1.00 0.00 H new ATOM 0 HD11 LEU A 53 72.729 6.597 18.704 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.211 6.126 19.504 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.774 5.665 20.219 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.150 4.863 17.599 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.192 3.931 19.115 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.642 3.157 17.609 1.00 0.00 H new ATOM 829 N MET A 54 71.164 0.303 19.989 1.00 0.00 N ATOM 830 CA MET A 54 71.628 -0.851 20.751 1.00 0.00 C ATOM 831 C MET A 54 71.859 -2.044 19.828 1.00 0.00 C ATOM 832 O MET A 54 72.770 -2.842 20.047 1.00 0.00 O ATOM 833 CB MET A 54 70.596 -1.221 21.818 1.00 0.00 C ATOM 834 CG MET A 54 71.176 -2.295 22.739 1.00 0.00 C ATOM 835 SD MET A 54 72.374 -1.540 23.866 1.00 0.00 S ATOM 836 CE MET A 54 72.820 -3.047 24.764 1.00 0.00 C ATOM 0 H MET A 54 70.180 0.535 20.126 1.00 0.00 H new ATOM 0 HA MET A 54 72.571 -0.591 21.233 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.324 -0.339 22.397 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.684 -1.586 21.346 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.377 -2.772 23.307 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.657 -3.075 22.148 1.00 0.00 H new ATOM 0 HE1 MET A 54 73.563 -2.810 25.525 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.932 -3.463 25.240 1.00 0.00 H new ATOM 0 HE3 MET A 54 73.233 -3.777 24.068 1.00 0.00 H new ATOM 846 N LEU A 55 71.027 -2.160 18.799 1.00 0.00 N ATOM 847 CA LEU A 55 71.150 -3.261 17.850 1.00 0.00 C ATOM 848 C LEU A 55 72.456 -3.154 17.071 1.00 0.00 C ATOM 849 O LEU A 55 72.964 -4.149 16.552 1.00 0.00 O ATOM 850 CB LEU A 55 69.970 -3.244 16.877 1.00 0.00 C ATOM 851 CG LEU A 55 68.677 -3.543 17.636 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.479 -3.340 16.707 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.699 -4.992 18.129 1.00 0.00 C ATOM 0 H LEU A 55 70.266 -1.511 18.601 1.00 0.00 H new ATOM 0 HA LEU A 55 71.149 -4.198 18.407 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.901 -2.271 16.390 1.00 0.00 H new ATOM 0 HB3 LEU A 55 70.122 -3.984 16.091 1.00 0.00 H new ATOM 0 HG LEU A 55 68.593 -2.869 18.488 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.558 -3.553 17.249 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.462 -2.309 16.355 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.562 -4.013 15.854 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.777 -5.206 18.670 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.784 -5.665 17.276 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.552 -5.138 18.792 1.00 0.00 H new ATOM 865 N ASP A 56 72.997 -1.943 16.994 1.00 0.00 N ATOM 866 CA ASP A 56 74.246 -1.719 16.275 1.00 0.00 C ATOM 867 C ASP A 56 75.327 -2.674 16.770 1.00 0.00 C ATOM 868 O ASP A 56 76.161 -3.141 15.994 1.00 0.00 O ATOM 869 CB ASP A 56 74.711 -0.275 16.470 1.00 0.00 C ATOM 870 CG ASP A 56 73.809 0.673 15.686 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.048 0.190 14.863 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.891 1.867 15.920 1.00 0.00 O ATOM 0 H ASP A 56 72.594 -1.107 17.417 1.00 0.00 H new ATOM 0 HA ASP A 56 74.070 -1.903 15.215 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.691 -0.017 17.529 1.00 0.00 H new ATOM 0 HB3 ASP A 56 75.743 -0.168 16.136 1.00 0.00 H new ATOM 877 N SER A 57 75.307 -2.960 18.068 1.00 0.00 N ATOM 878 CA SER A 57 76.292 -3.861 18.657 1.00 0.00 C ATOM 879 C SER A 57 75.979 -5.308 18.291 1.00 0.00 C ATOM 880 O SER A 57 76.782 -6.209 18.537 1.00 0.00 O ATOM 881 CB SER A 57 76.296 -3.707 20.178 1.00 0.00 C ATOM 882 OG SER A 57 75.052 -4.156 20.699 1.00 0.00 O ATOM 0 H SER A 57 74.626 -2.585 18.728 1.00 0.00 H new ATOM 0 HA SER A 57 77.275 -3.603 18.264 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.114 -4.283 20.611 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.462 -2.664 20.449 1.00 0.00 H new ATOM 0 HG SER A 57 74.327 -3.607 20.334 1.00 0.00 H new ATOM 888 N ALA A 58 74.808 -5.525 17.701 1.00 0.00 N ATOM 889 CA ALA A 58 74.400 -6.868 17.305 1.00 0.00 C ATOM 890 C ALA A 58 75.050 -7.256 15.980 1.00 0.00 C ATOM 891 O ALA A 58 74.479 -8.014 15.197 1.00 0.00 O ATOM 892 CB ALA A 58 72.878 -6.931 17.167 1.00 0.00 C ATOM 0 H ALA A 58 74.129 -4.794 17.488 1.00 0.00 H new ATOM 0 HA ALA A 58 74.724 -7.569 18.075 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.581 -7.937 16.871 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.415 -6.682 18.122 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.552 -6.219 16.409 1.00 0.00 H new ATOM 898 N LYS A 59 76.247 -6.731 15.738 1.00 0.00 N ATOM 899 CA LYS A 59 76.965 -7.031 14.504 1.00 0.00 C ATOM 900 C LYS A 59 77.522 -8.450 14.540 1.00 0.00 C ATOM 901 O LYS A 59 78.586 -8.696 15.109 1.00 0.00 O ATOM 902 CB LYS A 59 78.111 -6.035 14.313 1.00 0.00 C ATOM 903 CG LYS A 59 78.743 -5.716 15.669 1.00 0.00 C ATOM 904 CD LYS A 59 80.124 -5.093 15.455 1.00 0.00 C ATOM 905 CE LYS A 59 81.183 -6.195 15.427 1.00 0.00 C ATOM 906 NZ LYS A 59 81.292 -6.814 16.778 1.00 0.00 N ATOM 0 H LYS A 59 76.737 -6.101 16.374 1.00 0.00 H new ATOM 0 HA LYS A 59 76.268 -6.948 13.670 1.00 0.00 H new ATOM 0 HB2 LYS A 59 78.860 -6.452 13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.739 -5.121 13.850 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.105 -5.030 16.227 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.831 -6.625 16.264 1.00 0.00 H new ATOM 0 HD2 LYS A 59 80.141 -4.534 14.519 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.343 -4.384 16.254 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.916 -6.952 14.689 1.00 0.00 H new ATOM 0 HE3 LYS A 59 82.146 -5.781 15.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 82.263 -7.155 16.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 81.059 -6.107 17.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.630 -7.613 16.848 1.00 0.00 H new ATOM 920 N GLY A 60 76.797 -9.380 13.929 1.00 0.00 N ATOM 921 CA GLY A 60 77.229 -10.773 13.896 1.00 0.00 C ATOM 922 C GLY A 60 76.436 -11.612 14.893 1.00 0.00 C ATOM 923 O GLY A 60 76.713 -12.796 15.080 1.00 0.00 O ATOM 0 H GLY A 60 75.914 -9.197 13.453 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.098 -11.175 12.891 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.292 -10.834 14.128 1.00 0.00 H new ATOM 927 N ARG A 61 75.450 -10.990 15.530 1.00 0.00 N ATOM 928 CA ARG A 61 74.624 -11.689 16.507 1.00 0.00 C ATOM 929 C ARG A 61 73.276 -12.063 15.898 1.00 0.00 C ATOM 930 O ARG A 61 72.913 -11.578 14.826 1.00 0.00 O ATOM 931 CB ARG A 61 74.402 -10.804 17.735 1.00 0.00 C ATOM 932 CG ARG A 61 75.755 -10.429 18.345 1.00 0.00 C ATOM 933 CD ARG A 61 75.547 -9.919 19.772 1.00 0.00 C ATOM 934 NE ARG A 61 76.813 -9.464 20.335 1.00 0.00 N ATOM 935 CZ ARG A 61 77.688 -10.326 20.842 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.816 -9.895 21.339 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.421 -11.603 20.844 1.00 0.00 N ATOM 0 H ARG A 61 75.204 -10.010 15.389 1.00 0.00 H new ATOM 0 HA ARG A 61 75.142 -12.600 16.806 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.856 -9.904 17.454 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.793 -11.330 18.470 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.416 -11.295 18.350 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.239 -9.662 17.740 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.826 -9.101 19.772 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.129 -10.712 20.392 1.00 0.00 H new ATOM 0 HE ARG A 61 77.030 -8.467 20.340 1.00 0.00 H new ATOM 0 HH11 ARG A 61 79.025 -8.897 21.338 1.00 0.00 H new ATOM 0 HH12 ARG A 61 79.488 -10.557 21.728 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.540 -11.940 20.456 1.00 0.00 H new ATOM 0 HH22 ARG A 61 78.093 -12.264 21.233 1.00 0.00 H new ATOM 951 N GLN A 62 72.540 -12.927 16.588 1.00 0.00 N ATOM 952 CA GLN A 62 71.233 -13.359 16.104 1.00 0.00 C ATOM 953 C GLN A 62 70.121 -12.578 16.798 1.00 0.00 C ATOM 954 O GLN A 62 70.220 -12.257 17.982 1.00 0.00 O ATOM 955 CB GLN A 62 71.048 -14.855 16.365 1.00 0.00 C ATOM 956 CG GLN A 62 71.980 -15.652 15.450 1.00 0.00 C ATOM 957 CD GLN A 62 71.893 -17.138 15.783 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.653 -17.503 16.934 1.00 0.00 O ATOM 959 NE2 GLN A 62 72.077 -18.020 14.840 1.00 0.00 N ATOM 0 H GLN A 62 72.822 -13.340 17.477 1.00 0.00 H new ATOM 0 HA GLN A 62 71.181 -13.169 15.032 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.264 -15.082 17.409 1.00 0.00 H new ATOM 0 HB3 GLN A 62 70.012 -15.141 16.184 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.707 -15.488 14.408 1.00 0.00 H new ATOM 0 HG3 GLN A 62 73.006 -15.304 15.570 1.00 0.00 H new ATOM 0 HE21 GLN A 62 72.276 -17.714 13.887 1.00 0.00 H new ATOM 0 HE22 GLN A 62 72.022 -19.016 15.055 1.00 0.00 H new ATOM 968 N ILE A 63 69.064 -12.273 16.051 1.00 0.00 N ATOM 969 CA ILE A 63 67.940 -11.528 16.605 1.00 0.00 C ATOM 970 C ILE A 63 66.619 -12.192 16.232 1.00 0.00 C ATOM 971 O ILE A 63 66.555 -12.979 15.287 1.00 0.00 O ATOM 972 CB ILE A 63 67.956 -10.091 16.080 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.659 -10.095 14.579 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.334 -9.474 16.325 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.750 -8.669 14.036 1.00 0.00 C ATOM 0 H ILE A 63 68.963 -12.528 15.069 1.00 0.00 H new ATOM 0 HA ILE A 63 68.035 -11.520 17.691 1.00 0.00 H new ATOM 0 HB ILE A 63 67.198 -9.505 16.600 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.368 -10.739 14.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.665 -10.502 14.396 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.346 -8.450 15.951 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.547 -9.472 17.394 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.092 -10.059 15.805 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.538 -8.673 12.967 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.023 -8.038 14.548 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.753 -8.278 14.206 1.00 0.00 H new ATOM 987 N GLU A 64 65.567 -11.870 16.979 1.00 0.00 N ATOM 988 CA GLU A 64 64.252 -12.442 16.716 1.00 0.00 C ATOM 989 C GLU A 64 63.235 -11.340 16.436 1.00 0.00 C ATOM 990 O GLU A 64 62.730 -10.700 17.357 1.00 0.00 O ATOM 991 CB GLU A 64 63.792 -13.270 17.918 1.00 0.00 C ATOM 992 CG GLU A 64 64.956 -14.126 18.425 1.00 0.00 C ATOM 993 CD GLU A 64 64.432 -15.460 18.946 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.681 -16.100 18.229 1.00 0.00 O ATOM 995 OE2 GLU A 64 64.791 -15.821 20.055 1.00 0.00 O ATOM 0 H GLU A 64 65.599 -11.221 17.765 1.00 0.00 H new ATOM 0 HA GLU A 64 64.325 -13.085 15.839 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.438 -12.612 18.712 1.00 0.00 H new ATOM 0 HB3 GLU A 64 62.954 -13.907 17.635 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.671 -14.296 17.620 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.487 -13.600 19.218 1.00 0.00 H new ATOM 1002 N VAL A 65 62.939 -11.125 15.158 1.00 0.00 N ATOM 1003 CA VAL A 65 61.980 -10.098 14.768 1.00 0.00 C ATOM 1004 C VAL A 65 60.553 -10.593 14.977 1.00 0.00 C ATOM 1005 O VAL A 65 60.188 -11.677 14.523 1.00 0.00 O ATOM 1006 CB VAL A 65 62.183 -9.725 13.298 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.346 -8.490 12.965 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.662 -9.420 13.051 1.00 0.00 C ATOM 0 H VAL A 65 63.346 -11.644 14.380 1.00 0.00 H new ATOM 0 HA VAL A 65 62.143 -9.219 15.391 1.00 0.00 H new ATOM 0 HB VAL A 65 61.871 -10.556 12.665 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.490 -8.224 11.918 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.292 -8.706 13.143 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.657 -7.658 13.597 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.809 -9.154 12.004 1.00 0.00 H new ATOM 0 HG22 VAL A 65 63.973 -8.589 13.684 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.260 -10.300 13.289 1.00 0.00 H new ATOM 1018 N GLU A 66 59.749 -9.791 15.669 1.00 0.00 N ATOM 1019 CA GLU A 66 58.364 -10.158 15.934 1.00 0.00 C ATOM 1020 C GLU A 66 57.414 -9.083 15.415 1.00 0.00 C ATOM 1021 O GLU A 66 57.657 -7.889 15.591 1.00 0.00 O ATOM 1022 CB GLU A 66 58.150 -10.347 17.437 1.00 0.00 C ATOM 1023 CG GLU A 66 56.667 -10.598 17.715 1.00 0.00 C ATOM 1024 CD GLU A 66 56.481 -11.089 19.147 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.474 -11.198 19.848 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.349 -11.347 19.521 1.00 0.00 O ATOM 0 H GLU A 66 60.031 -8.889 16.053 1.00 0.00 H new ATOM 0 HA GLU A 66 58.153 -11.094 15.417 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.745 -11.186 17.797 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.487 -9.462 17.977 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.099 -9.681 17.560 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.277 -11.337 17.015 1.00 0.00 H new ATOM 1033 N ALA A 67 56.333 -9.515 14.773 1.00 0.00 N ATOM 1034 CA ALA A 67 55.353 -8.580 14.233 1.00 0.00 C ATOM 1035 C ALA A 67 53.936 -9.060 14.531 1.00 0.00 C ATOM 1036 O ALA A 67 53.631 -10.245 14.398 1.00 0.00 O ATOM 1037 CB ALA A 67 55.539 -8.444 12.720 1.00 0.00 C ATOM 0 H ALA A 67 56.115 -10.499 14.615 1.00 0.00 H new ATOM 0 HA ALA A 67 55.504 -7.610 14.706 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.803 -7.744 12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.542 -8.074 12.509 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.404 -9.417 12.248 1.00 0.00 H new ATOM 1043 N THR A 68 53.074 -8.132 14.934 1.00 0.00 N ATOM 1044 CA THR A 68 51.691 -8.473 15.248 1.00 0.00 C ATOM 1045 C THR A 68 50.729 -7.614 14.436 1.00 0.00 C ATOM 1046 O THR A 68 50.940 -6.412 14.273 1.00 0.00 O ATOM 1047 CB THR A 68 51.429 -8.265 16.741 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.334 -9.060 17.495 1.00 0.00 O ATOM 1049 CG2 THR A 68 49.992 -8.673 17.070 1.00 0.00 C ATOM 0 H THR A 68 53.306 -7.146 15.050 1.00 0.00 H new ATOM 0 HA THR A 68 51.528 -9.520 14.993 1.00 0.00 H new ATOM 0 HB THR A 68 51.573 -7.214 16.992 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.168 -8.926 18.452 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.806 -8.525 18.134 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.299 -8.062 16.492 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.846 -9.724 16.819 1.00 0.00 H new ATOM 1057 N GLY A 69 49.671 -8.238 13.928 1.00 0.00 N ATOM 1058 CA GLY A 69 48.681 -7.520 13.133 1.00 0.00 C ATOM 1059 C GLY A 69 48.358 -8.279 11.851 1.00 0.00 C ATOM 1060 O GLY A 69 48.879 -9.368 11.612 1.00 0.00 O ATOM 0 H GLY A 69 49.478 -9.232 14.051 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.771 -7.381 13.717 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.057 -6.527 12.887 1.00 0.00 H new ATOM 1064 N PRO A 70 47.513 -7.719 11.029 1.00 0.00 N ATOM 1065 CA PRO A 70 47.106 -8.345 9.738 1.00 0.00 C ATOM 1066 C PRO A 70 48.227 -8.311 8.704 1.00 0.00 C ATOM 1067 O PRO A 70 48.287 -9.156 7.810 1.00 0.00 O ATOM 1068 CB PRO A 70 45.916 -7.499 9.283 1.00 0.00 C ATOM 1069 CG PRO A 70 46.094 -6.172 9.941 1.00 0.00 C ATOM 1070 CD PRO A 70 46.853 -6.423 11.245 1.00 0.00 C ATOM 0 HA PRO A 70 46.862 -9.401 9.854 1.00 0.00 H new ATOM 0 HB2 PRO A 70 45.898 -7.399 8.198 1.00 0.00 H new ATOM 0 HB3 PRO A 70 44.973 -7.959 9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 70 46.649 -5.492 9.295 1.00 0.00 H new ATOM 0 HG3 PRO A 70 45.129 -5.706 10.139 1.00 0.00 H new ATOM 0 HD2 PRO A 70 47.578 -5.634 11.443 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.178 -6.457 12.100 1.00 0.00 H new ATOM 1078 N GLN A 71 49.113 -7.329 8.832 1.00 0.00 N ATOM 1079 CA GLN A 71 50.229 -7.194 7.902 1.00 0.00 C ATOM 1080 C GLN A 71 51.529 -7.656 8.556 1.00 0.00 C ATOM 1081 O GLN A 71 52.613 -7.463 8.005 1.00 0.00 O ATOM 1082 CB GLN A 71 50.367 -5.736 7.460 1.00 0.00 C ATOM 1083 CG GLN A 71 49.213 -5.376 6.523 1.00 0.00 C ATOM 1084 CD GLN A 71 49.393 -3.956 5.997 1.00 0.00 C ATOM 1085 OE1 GLN A 71 48.894 -3.003 6.596 1.00 0.00 O ATOM 1086 NE2 GLN A 71 50.079 -3.756 4.905 1.00 0.00 N ATOM 0 H GLN A 71 49.081 -6.620 9.564 1.00 0.00 H new ATOM 0 HA GLN A 71 50.031 -7.819 7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.362 -5.079 8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 71 51.321 -5.587 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 71 49.176 -6.079 5.691 1.00 0.00 H new ATOM 0 HG3 GLN A 71 48.264 -5.459 7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 71 50.492 -4.547 4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 71 50.202 -2.809 4.547 1.00 0.00 H new ATOM 1095 N GLU A 72 51.410 -8.264 9.731 1.00 0.00 N ATOM 1096 CA GLU A 72 52.583 -8.749 10.450 1.00 0.00 C ATOM 1097 C GLU A 72 53.482 -9.561 9.523 1.00 0.00 C ATOM 1098 O GLU A 72 54.691 -9.340 9.467 1.00 0.00 O ATOM 1099 CB GLU A 72 52.148 -9.617 11.633 1.00 0.00 C ATOM 1100 CG GLU A 72 51.469 -10.885 11.112 1.00 0.00 C ATOM 1101 CD GLU A 72 50.759 -11.604 12.254 1.00 0.00 C ATOM 1102 OE1 GLU A 72 50.931 -11.187 13.387 1.00 0.00 O ATOM 1103 OE2 GLU A 72 50.051 -12.558 11.978 1.00 0.00 O ATOM 0 H GLU A 72 50.522 -8.432 10.203 1.00 0.00 H new ATOM 0 HA GLU A 72 53.143 -7.889 10.817 1.00 0.00 H new ATOM 0 HB2 GLU A 72 53.012 -9.879 12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.463 -9.061 12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.753 -10.629 10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.210 -11.545 10.661 1.00 0.00 H new ATOM 1110 N GLU A 73 52.883 -10.500 8.799 1.00 0.00 N ATOM 1111 CA GLU A 73 53.639 -11.341 7.878 1.00 0.00 C ATOM 1112 C GLU A 73 54.285 -10.492 6.788 1.00 0.00 C ATOM 1113 O GLU A 73 55.422 -10.740 6.386 1.00 0.00 O ATOM 1114 CB GLU A 73 52.716 -12.380 7.240 1.00 0.00 C ATOM 1115 CG GLU A 73 51.345 -11.753 6.978 1.00 0.00 C ATOM 1116 CD GLU A 73 50.554 -12.619 6.003 1.00 0.00 C ATOM 1117 OE1 GLU A 73 50.672 -13.830 6.087 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.844 -12.057 5.186 1.00 0.00 O ATOM 0 H GLU A 73 51.883 -10.697 8.831 1.00 0.00 H new ATOM 0 HA GLU A 73 54.422 -11.850 8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 73 53.147 -12.740 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 73 52.613 -13.243 7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.797 -11.652 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.467 -10.750 6.570 1.00 0.00 H new ATOM 1125 N GLU A 74 53.552 -9.492 6.310 1.00 0.00 N ATOM 1126 CA GLU A 74 54.064 -8.614 5.265 1.00 0.00 C ATOM 1127 C GLU A 74 55.216 -7.765 5.795 1.00 0.00 C ATOM 1128 O GLU A 74 56.277 -7.685 5.174 1.00 0.00 O ATOM 1129 CB GLU A 74 52.947 -7.701 4.756 1.00 0.00 C ATOM 1130 CG GLU A 74 51.715 -8.542 4.417 1.00 0.00 C ATOM 1131 CD GLU A 74 50.851 -7.813 3.393 1.00 0.00 C ATOM 1132 OE1 GLU A 74 51.217 -6.713 3.015 1.00 0.00 O ATOM 1133 OE2 GLU A 74 49.836 -8.366 3.004 1.00 0.00 O ATOM 0 H GLU A 74 52.608 -9.270 6.627 1.00 0.00 H new ATOM 0 HA GLU A 74 54.430 -9.232 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.696 -6.958 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.282 -7.156 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 74 52.023 -9.510 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 74 51.137 -8.736 5.321 1.00 0.00 H new ATOM 1140 N ALA A 75 55.000 -7.132 6.943 1.00 0.00 N ATOM 1141 CA ALA A 75 56.029 -6.293 7.546 1.00 0.00 C ATOM 1142 C ALA A 75 57.331 -7.072 7.705 1.00 0.00 C ATOM 1143 O ALA A 75 58.410 -6.566 7.401 1.00 0.00 O ATOM 1144 CB ALA A 75 55.560 -5.794 8.914 1.00 0.00 C ATOM 0 H ALA A 75 54.129 -7.183 7.471 1.00 0.00 H new ATOM 0 HA ALA A 75 56.207 -5.441 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.334 -5.168 9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.646 -5.212 8.795 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.365 -6.646 9.565 1.00 0.00 H new ATOM 1150 N LEU A 76 57.220 -8.308 8.183 1.00 0.00 N ATOM 1151 CA LEU A 76 58.395 -9.149 8.378 1.00 0.00 C ATOM 1152 C LEU A 76 59.080 -9.427 7.044 1.00 0.00 C ATOM 1153 O LEU A 76 60.307 -9.400 6.948 1.00 0.00 O ATOM 1154 CB LEU A 76 57.989 -10.471 9.031 1.00 0.00 C ATOM 1155 CG LEU A 76 57.624 -10.227 10.496 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.975 -11.483 11.078 1.00 0.00 C ATOM 1157 CD2 LEU A 76 58.893 -9.896 11.286 1.00 0.00 C ATOM 0 H LEU A 76 56.336 -8.746 8.440 1.00 0.00 H new ATOM 0 HA LEU A 76 59.092 -8.622 9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 76 57.141 -10.905 8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 76 58.807 -11.188 8.964 1.00 0.00 H new ATOM 0 HG LEU A 76 56.924 -9.394 10.563 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.715 -11.308 12.122 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.073 -11.721 10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 76 57.674 -12.317 11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 76 58.636 -9.722 12.331 1.00 0.00 H new ATOM 0 HD22 LEU A 76 59.592 -10.730 11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 76 59.356 -9.000 10.872 1.00 0.00 H new ATOM 1169 N ALA A 77 58.278 -9.691 6.017 1.00 0.00 N ATOM 1170 CA ALA A 77 58.819 -9.971 4.692 1.00 0.00 C ATOM 1171 C ALA A 77 59.658 -8.797 4.199 1.00 0.00 C ATOM 1172 O ALA A 77 60.749 -8.984 3.659 1.00 0.00 O ATOM 1173 CB ALA A 77 57.678 -10.236 3.708 1.00 0.00 C ATOM 0 H ALA A 77 57.260 -9.717 6.076 1.00 0.00 H new ATOM 0 HA ALA A 77 59.454 -10.855 4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.090 -10.444 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.097 -11.094 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.033 -9.359 3.654 1.00 0.00 H new ATOM 1179 N ALA A 78 59.142 -7.587 4.387 1.00 0.00 N ATOM 1180 CA ALA A 78 59.853 -6.388 3.958 1.00 0.00 C ATOM 1181 C ALA A 78 61.156 -6.234 4.736 1.00 0.00 C ATOM 1182 O ALA A 78 62.196 -5.905 4.164 1.00 0.00 O ATOM 1183 CB ALA A 78 58.976 -5.154 4.176 1.00 0.00 C ATOM 0 H ALA A 78 58.240 -7.411 4.830 1.00 0.00 H new ATOM 0 HA ALA A 78 60.085 -6.484 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.515 -4.263 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.058 -5.253 3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.729 -5.065 5.234 1.00 0.00 H new ATOM 1189 N VAL A 79 61.092 -6.474 6.041 1.00 0.00 N ATOM 1190 CA VAL A 79 62.275 -6.360 6.887 1.00 0.00 C ATOM 1191 C VAL A 79 63.275 -7.463 6.557 1.00 0.00 C ATOM 1192 O VAL A 79 64.471 -7.208 6.416 1.00 0.00 O ATOM 1193 CB VAL A 79 61.873 -6.455 8.360 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.116 -6.298 9.238 1.00 0.00 C ATOM 1195 CG2 VAL A 79 60.874 -5.343 8.688 1.00 0.00 C ATOM 0 H VAL A 79 60.241 -6.747 6.533 1.00 0.00 H new ATOM 0 HA VAL A 79 62.743 -5.393 6.701 1.00 0.00 H new ATOM 0 HB VAL A 79 61.413 -7.425 8.550 1.00 0.00 H new ATOM 0 HG11 VAL A 79 62.831 -6.365 10.288 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.829 -7.089 9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.575 -5.328 9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.587 -5.410 9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.334 -4.373 8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 79 59.989 -5.453 8.062 1.00 0.00 H new ATOM 1205 N ILE A 80 62.776 -8.689 6.434 1.00 0.00 N ATOM 1206 CA ILE A 80 63.636 -9.824 6.118 1.00 0.00 C ATOM 1207 C ILE A 80 64.275 -9.643 4.745 1.00 0.00 C ATOM 1208 O ILE A 80 65.457 -9.929 4.555 1.00 0.00 O ATOM 1209 CB ILE A 80 62.823 -11.118 6.140 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.514 -11.501 7.588 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.628 -12.238 5.478 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.494 -12.641 7.609 1.00 0.00 C ATOM 0 H ILE A 80 61.789 -8.921 6.547 1.00 0.00 H new ATOM 0 HA ILE A 80 64.424 -9.880 6.869 1.00 0.00 H new ATOM 0 HB ILE A 80 61.890 -10.970 5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.428 -11.807 8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.122 -10.639 8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 80 63.048 -13.161 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.849 -11.966 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.561 -12.386 6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.274 -12.914 8.641 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.577 -12.318 7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 80 61.903 -13.505 7.085 1.00 0.00 H new ATOM 1224 N ALA A 81 63.483 -9.164 3.790 1.00 0.00 N ATOM 1225 CA ALA A 81 63.983 -8.947 2.437 1.00 0.00 C ATOM 1226 C ALA A 81 65.082 -7.891 2.439 1.00 0.00 C ATOM 1227 O ALA A 81 66.048 -7.983 1.681 1.00 0.00 O ATOM 1228 CB ALA A 81 62.841 -8.497 1.524 1.00 0.00 C ATOM 0 H ALA A 81 62.502 -8.921 3.926 1.00 0.00 H new ATOM 0 HA ALA A 81 64.395 -9.885 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.223 -8.337 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 81 62.068 -9.266 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.417 -7.567 1.903 1.00 0.00 H new ATOM 1234 N LEU A 82 64.930 -6.889 3.299 1.00 0.00 N ATOM 1235 CA LEU A 82 65.917 -5.820 3.395 1.00 0.00 C ATOM 1236 C LEU A 82 67.187 -6.327 4.072 1.00 0.00 C ATOM 1237 O LEU A 82 68.296 -5.957 3.689 1.00 0.00 O ATOM 1238 CB LEU A 82 65.343 -4.648 4.193 1.00 0.00 C ATOM 1239 CG LEU A 82 64.392 -3.843 3.305 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.426 -3.045 4.184 1.00 0.00 C ATOM 1241 CD2 LEU A 82 65.201 -2.880 2.434 1.00 0.00 C ATOM 0 H LEU A 82 64.138 -6.795 3.935 1.00 0.00 H new ATOM 0 HA LEU A 82 66.163 -5.485 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 82 64.813 -5.017 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.150 -4.009 4.553 1.00 0.00 H new ATOM 0 HG LEU A 82 63.827 -4.523 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 82 62.748 -2.471 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 82 62.850 -3.730 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.991 -2.365 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 82 64.524 -2.306 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 82 65.766 -2.200 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 82 65.890 -3.447 1.808 1.00 0.00 H new ATOM 1253 N PHE A 83 67.013 -7.175 5.080 1.00 0.00 N ATOM 1254 CA PHE A 83 68.152 -7.729 5.803 1.00 0.00 C ATOM 1255 C PHE A 83 68.947 -8.673 4.906 1.00 0.00 C ATOM 1256 O PHE A 83 70.167 -8.780 5.027 1.00 0.00 O ATOM 1257 CB PHE A 83 67.666 -8.488 7.040 1.00 0.00 C ATOM 1258 CG PHE A 83 67.420 -7.512 8.166 1.00 0.00 C ATOM 1259 CD1 PHE A 83 66.798 -6.285 7.904 1.00 0.00 C ATOM 1260 CD2 PHE A 83 67.814 -7.833 9.470 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.570 -5.379 8.948 1.00 0.00 C ATOM 1262 CE2 PHE A 83 67.586 -6.928 10.513 1.00 0.00 C ATOM 1263 CZ PHE A 83 66.964 -5.701 10.252 1.00 0.00 C ATOM 0 H PHE A 83 66.102 -7.492 5.413 1.00 0.00 H new ATOM 0 HA PHE A 83 68.798 -6.907 6.111 1.00 0.00 H new ATOM 0 HB2 PHE A 83 66.750 -9.032 6.809 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.408 -9.227 7.341 1.00 0.00 H new ATOM 0 HD1 PHE A 83 66.494 -6.037 6.898 1.00 0.00 H new ATOM 0 HD2 PHE A 83 68.294 -8.779 9.671 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.090 -4.432 8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 83 67.890 -7.176 11.519 1.00 0.00 H new ATOM 0 HZ PHE A 83 66.788 -5.003 11.057 1.00 0.00 H new