USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 539 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 40 THR OG1 : rot 34:sc= 0.745 USER MOD Single : A 41 LYS NZ :NH3+ -136:sc= -0.0593 (180deg=-0.482) USER MOD Single : A 42 GLN : amide:sc= -2.09! C(o=-2.1!,f=-3.3!) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0.55 (180deg=0.129) USER MOD Single : A 47 ASN : amide:sc= -0.0421 K(o=-0.042,f=-1.4!) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= -0.121 (180deg=-0.717) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -136:sc= -0.0869 (180deg=-0.693) USER MOD Single : A 60 SER OG : rot -45:sc= 0.939 USER MOD Single : A 61 GLN : amide:sc= -0.408 K(o=-0.41,f=-2.9!) USER MOD Single : A 65 TYR OH : rot 150:sc= -0.823 USER MOD Single : A 66 SER OG : rot -28:sc= 1.08 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.5!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.504 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.76! C(o=-2.8!,f=-4.9!) USER MOD Single : A 85 THR OG1 : rot -90:sc= -3.14! USER MOD Single : A 88 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.69) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -5.64! C(o=-5.6!,f=-17!) USER MOD Single : A 98 LYS NZ :NH3+ -164:sc=-0.00595 (180deg=-0.288) USER MOD Single : A 99 ASN : amide:sc= -0.0235 K(o=-0.023,f=-1.2!) USER MOD Single : A 103 ASN : amide:sc= -0.057 K(o=-0.057,f=-2!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -1.53! C(o=-1.5!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 40 -39.466 -18.763 5.991 1.00 0.00 N ATOM 2 CA THR A 40 -40.726 -18.416 6.705 1.00 0.00 C ATOM 3 C THR A 40 -41.012 -16.928 6.533 1.00 0.00 C ATOM 4 O THR A 40 -40.093 -16.108 6.507 1.00 0.00 O ATOM 5 CB THR A 40 -40.574 -18.750 8.191 1.00 0.00 C ATOM 6 OG1 THR A 40 -39.630 -19.801 8.344 1.00 0.00 O ATOM 7 CG2 THR A 40 -41.926 -19.189 8.758 1.00 0.00 C ATOM 0 HA THR A 40 -41.555 -18.990 6.291 1.00 0.00 H new ATOM 0 HB THR A 40 -40.226 -17.868 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 40 -38.931 -19.715 7.662 1.00 0.00 H new ATOM 0 HG21 THR A 40 -41.817 -19.427 9.816 1.00 0.00 H new ATOM 0 HG22 THR A 40 -42.649 -18.382 8.640 1.00 0.00 H new ATOM 0 HG23 THR A 40 -42.276 -20.071 8.222 1.00 0.00 H new ATOM 14 N LYS A 41 -42.290 -16.587 6.410 1.00 0.00 N ATOM 15 CA LYS A 41 -42.690 -15.195 6.233 1.00 0.00 C ATOM 16 C LYS A 41 -42.929 -14.531 7.585 1.00 0.00 C ATOM 17 O LYS A 41 -43.376 -13.386 7.657 1.00 0.00 O ATOM 18 CB LYS A 41 -43.965 -15.123 5.390 1.00 0.00 C ATOM 19 CG LYS A 41 -43.676 -15.665 3.988 1.00 0.00 C ATOM 20 CD LYS A 41 -44.946 -15.589 3.137 1.00 0.00 C ATOM 21 CE LYS A 41 -44.667 -16.176 1.752 1.00 0.00 C ATOM 22 NZ LYS A 41 -43.622 -15.363 1.068 1.00 0.00 N ATOM 0 H LYS A 41 -43.064 -17.251 6.429 1.00 0.00 H new ATOM 0 HA LYS A 41 -41.887 -14.666 5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -44.759 -15.703 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -44.317 -14.093 5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -42.878 -15.088 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -43.329 -16.696 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -45.754 -16.138 3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -45.274 -14.554 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -44.336 -17.210 1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -45.581 -16.186 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -43.902 -15.199 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -43.519 -14.450 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -42.716 -15.872 1.091 1.00 0.00 H new ATOM 36 N GLN A 42 -42.630 -15.261 8.654 1.00 0.00 N ATOM 37 CA GLN A 42 -42.814 -14.744 10.004 1.00 0.00 C ATOM 38 C GLN A 42 -41.971 -13.488 10.209 1.00 0.00 C ATOM 39 O GLN A 42 -42.407 -12.534 10.853 1.00 0.00 O ATOM 40 CB GLN A 42 -42.419 -15.807 11.028 1.00 0.00 C ATOM 41 CG GLN A 42 -42.757 -15.311 12.432 1.00 0.00 C ATOM 42 CD GLN A 42 -42.435 -16.391 13.459 1.00 0.00 C ATOM 43 OE1 GLN A 42 -41.981 -17.477 13.097 1.00 0.00 O ATOM 44 NE2 GLN A 42 -42.646 -16.161 14.726 1.00 0.00 N ATOM 0 H GLN A 42 -42.260 -16.211 8.612 1.00 0.00 H new ATOM 0 HA GLN A 42 -43.865 -14.489 10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -42.946 -16.739 10.823 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -41.353 -16.021 10.953 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -42.190 -14.407 12.653 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -43.813 -15.047 12.489 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -43.022 -15.261 15.025 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -42.435 -16.881 15.417 1.00 0.00 H new ATOM 53 N LYS A 43 -40.770 -13.488 9.641 1.00 0.00 N ATOM 54 CA LYS A 43 -39.886 -12.331 9.752 1.00 0.00 C ATOM 55 C LYS A 43 -39.669 -11.951 11.214 1.00 0.00 C ATOM 56 O LYS A 43 -39.921 -10.812 11.610 1.00 0.00 O ATOM 57 CB LYS A 43 -40.500 -11.145 9.004 1.00 0.00 C ATOM 58 CG LYS A 43 -40.672 -11.508 7.525 1.00 0.00 C ATOM 59 CD LYS A 43 -41.684 -10.567 6.855 1.00 0.00 C ATOM 60 CE LYS A 43 -41.123 -9.144 6.776 1.00 0.00 C ATOM 61 NZ LYS A 43 -39.866 -9.147 5.977 1.00 0.00 N ATOM 0 H LYS A 43 -40.388 -14.267 9.104 1.00 0.00 H new ATOM 0 HA LYS A 43 -38.922 -12.589 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -41.465 -10.886 9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -39.860 -10.268 9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -39.711 -11.442 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -41.011 -12.540 7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -41.917 -10.928 5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -42.617 -10.566 7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -41.855 -8.478 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -40.928 -8.763 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -39.587 -8.168 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -39.111 -9.613 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -40.022 -9.662 5.087 1.00 0.00 H new ATOM 75 N GLU A 44 -39.203 -12.904 12.013 1.00 0.00 N ATOM 76 CA GLU A 44 -38.960 -12.644 13.429 1.00 0.00 C ATOM 77 C GLU A 44 -37.978 -11.488 13.602 1.00 0.00 C ATOM 78 O GLU A 44 -38.348 -10.321 13.473 1.00 0.00 O ATOM 79 CB GLU A 44 -38.396 -13.902 14.104 1.00 0.00 C ATOM 80 CG GLU A 44 -39.534 -14.863 14.470 1.00 0.00 C ATOM 81 CD GLU A 44 -40.410 -14.257 15.564 1.00 0.00 C ATOM 82 OE1 GLU A 44 -39.888 -13.991 16.634 1.00 0.00 O ATOM 83 OE2 GLU A 44 -41.589 -14.066 15.314 1.00 0.00 O ATOM 0 H GLU A 44 -38.988 -13.854 11.710 1.00 0.00 H new ATOM 0 HA GLU A 44 -39.907 -12.374 13.897 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -37.693 -14.398 13.435 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -37.842 -13.625 15.001 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -40.138 -15.075 13.588 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -39.121 -15.813 14.810 1.00 0.00 H new ATOM 90 N ALA A 45 -36.730 -11.824 13.901 1.00 0.00 N ATOM 91 CA ALA A 45 -35.698 -10.812 14.098 1.00 0.00 C ATOM 92 C ALA A 45 -35.071 -10.403 12.769 1.00 0.00 C ATOM 93 O ALA A 45 -34.202 -9.532 12.726 1.00 0.00 O ATOM 94 CB ALA A 45 -34.611 -11.352 15.030 1.00 0.00 C ATOM 0 H ALA A 45 -36.408 -12.785 14.012 1.00 0.00 H new ATOM 0 HA ALA A 45 -36.165 -9.935 14.546 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -33.843 -10.591 15.173 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.052 -11.608 15.993 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -34.162 -12.242 14.588 1.00 0.00 H new ATOM 100 N VAL A 46 -35.507 -11.039 11.687 1.00 0.00 N ATOM 101 CA VAL A 46 -34.967 -10.728 10.368 1.00 0.00 C ATOM 102 C VAL A 46 -35.425 -9.347 9.911 1.00 0.00 C ATOM 103 O VAL A 46 -36.618 -9.044 9.909 1.00 0.00 O ATOM 104 CB VAL A 46 -35.424 -11.780 9.356 1.00 0.00 C ATOM 105 CG1 VAL A 46 -34.952 -11.382 7.957 1.00 0.00 C ATOM 106 CG2 VAL A 46 -34.822 -13.138 9.728 1.00 0.00 C ATOM 0 H VAL A 46 -36.224 -11.764 11.695 1.00 0.00 H new ATOM 0 HA VAL A 46 -33.879 -10.733 10.432 1.00 0.00 H new ATOM 0 HB VAL A 46 -36.512 -11.847 9.367 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -35.278 -12.132 7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -35.377 -10.414 7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -33.864 -11.316 7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -35.146 -13.889 9.008 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -33.734 -13.069 9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -35.156 -13.423 10.726 1.00 0.00 H new ATOM 116 N ASN A 47 -34.463 -8.512 9.528 1.00 0.00 N ATOM 117 CA ASN A 47 -34.767 -7.161 9.072 1.00 0.00 C ATOM 118 C ASN A 47 -34.870 -7.108 7.550 1.00 0.00 C ATOM 119 O ASN A 47 -34.131 -7.793 6.843 1.00 0.00 O ATOM 120 CB ASN A 47 -33.679 -6.193 9.542 1.00 0.00 C ATOM 121 CG ASN A 47 -34.169 -4.755 9.408 1.00 0.00 C ATOM 122 OD1 ASN A 47 -35.351 -4.479 9.614 1.00 0.00 O ATOM 123 ND2 ASN A 47 -33.328 -3.816 9.071 1.00 0.00 N ATOM 0 H ASN A 47 -33.470 -8.747 9.525 1.00 0.00 H new ATOM 0 HA ASN A 47 -35.727 -6.869 9.497 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -33.418 -6.402 10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -32.774 -6.335 8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -33.650 -2.853 8.978 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -32.349 -4.045 8.901 1.00 0.00 H new ATOM 130 N ASP A 48 -35.789 -6.286 7.057 1.00 0.00 N ATOM 131 CA ASP A 48 -35.984 -6.141 5.619 1.00 0.00 C ATOM 132 C ASP A 48 -34.726 -5.578 4.965 1.00 0.00 C ATOM 133 O ASP A 48 -33.916 -4.922 5.619 1.00 0.00 O ATOM 134 CB ASP A 48 -37.166 -5.211 5.342 1.00 0.00 C ATOM 135 CG ASP A 48 -38.475 -5.909 5.696 1.00 0.00 C ATOM 136 OD1 ASP A 48 -38.445 -7.113 5.897 1.00 0.00 O ATOM 137 OD2 ASP A 48 -39.487 -5.231 5.760 1.00 0.00 O ATOM 0 H ASP A 48 -36.409 -5.712 7.629 1.00 0.00 H new ATOM 0 HA ASP A 48 -36.192 -7.124 5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -37.063 -4.296 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -37.172 -4.921 4.291 1.00 0.00 H new ATOM 142 N LYS A 49 -34.565 -5.846 3.673 1.00 0.00 N ATOM 143 CA LYS A 49 -33.395 -5.370 2.943 1.00 0.00 C ATOM 144 C LYS A 49 -33.324 -3.846 3.008 1.00 0.00 C ATOM 145 O LYS A 49 -32.246 -3.274 3.170 1.00 0.00 O ATOM 146 CB LYS A 49 -33.474 -5.828 1.479 1.00 0.00 C ATOM 147 CG LYS A 49 -32.176 -5.488 0.727 1.00 0.00 C ATOM 148 CD LYS A 49 -31.136 -6.593 0.954 1.00 0.00 C ATOM 149 CE LYS A 49 -29.866 -6.266 0.168 1.00 0.00 C ATOM 150 NZ LYS A 49 -30.179 -6.218 -1.288 1.00 0.00 N ATOM 0 H LYS A 49 -35.225 -6.386 3.113 1.00 0.00 H new ATOM 0 HA LYS A 49 -32.497 -5.786 3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -33.651 -6.903 1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -34.320 -5.347 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -32.380 -5.382 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -31.785 -4.532 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -30.907 -6.679 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -31.536 -7.555 0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -29.460 -5.309 0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -29.102 -7.019 0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -29.308 -6.369 -1.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -30.867 -6.962 -1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -30.581 -5.289 -1.526 1.00 0.00 H new ATOM 164 N GLY A 50 -34.475 -3.192 2.889 1.00 0.00 N ATOM 165 CA GLY A 50 -34.516 -1.736 2.943 1.00 0.00 C ATOM 166 C GLY A 50 -34.338 -1.122 1.559 1.00 0.00 C ATOM 167 O GLY A 50 -33.597 -0.152 1.392 1.00 0.00 O ATOM 0 H GLY A 50 -35.381 -3.641 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -35.467 -1.413 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -33.732 -1.373 3.607 1.00 0.00 H new ATOM 171 N LYS A 51 -35.025 -1.684 0.571 1.00 0.00 N ATOM 172 CA LYS A 51 -34.936 -1.173 -0.792 1.00 0.00 C ATOM 173 C LYS A 51 -35.421 0.272 -0.840 1.00 0.00 C ATOM 174 O LYS A 51 -34.851 1.107 -1.544 1.00 0.00 O ATOM 175 CB LYS A 51 -35.782 -2.032 -1.734 1.00 0.00 C ATOM 176 CG LYS A 51 -35.130 -3.407 -1.897 1.00 0.00 C ATOM 177 CD LYS A 51 -35.974 -4.266 -2.840 1.00 0.00 C ATOM 178 CE LYS A 51 -35.316 -5.637 -3.010 1.00 0.00 C ATOM 179 NZ LYS A 51 -36.143 -6.476 -3.921 1.00 0.00 N ATOM 0 H LYS A 51 -35.644 -2.486 0.686 1.00 0.00 H new ATOM 0 HA LYS A 51 -33.895 -1.213 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -36.791 -2.141 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -35.873 -1.544 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -34.121 -3.297 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -35.040 -3.895 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -36.981 -4.382 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -36.070 -3.775 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -34.311 -5.522 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -35.214 -6.126 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -35.696 -7.408 -4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -37.093 -6.596 -3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -36.219 -6.011 -4.848 1.00 0.00 H new ATOM 193 N ALA A 52 -36.471 0.560 -0.079 1.00 0.00 N ATOM 194 CA ALA A 52 -37.023 1.910 -0.031 1.00 0.00 C ATOM 195 C ALA A 52 -35.968 2.887 0.475 1.00 0.00 C ATOM 196 O ALA A 52 -35.871 4.017 -0.003 1.00 0.00 O ATOM 197 CB ALA A 52 -38.242 1.945 0.894 1.00 0.00 C ATOM 0 H ALA A 52 -36.955 -0.118 0.510 1.00 0.00 H new ATOM 0 HA ALA A 52 -37.328 2.201 -1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -38.647 2.956 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -39.003 1.260 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -37.945 1.643 1.899 1.00 0.00 H new ATOM 203 N ALA A 53 -35.178 2.439 1.446 1.00 0.00 N ATOM 204 CA ALA A 53 -34.127 3.274 2.014 1.00 0.00 C ATOM 205 C ALA A 53 -33.157 3.718 0.925 1.00 0.00 C ATOM 206 O ALA A 53 -33.073 3.096 -0.134 1.00 0.00 O ATOM 207 CB ALA A 53 -33.367 2.498 3.092 1.00 0.00 C ATOM 0 H ALA A 53 -35.246 1.507 1.854 1.00 0.00 H new ATOM 0 HA ALA A 53 -34.587 4.155 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -32.584 3.130 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -34.057 2.203 3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -32.918 1.608 2.651 1.00 0.00 H new ATOM 213 N VAL A 54 -32.438 4.804 1.185 1.00 0.00 N ATOM 214 CA VAL A 54 -31.490 5.330 0.210 1.00 0.00 C ATOM 215 C VAL A 54 -30.451 4.275 -0.162 1.00 0.00 C ATOM 216 O VAL A 54 -29.844 3.652 0.705 1.00 0.00 O ATOM 217 CB VAL A 54 -30.787 6.561 0.783 1.00 0.00 C ATOM 218 CG1 VAL A 54 -29.682 7.009 -0.173 1.00 0.00 C ATOM 219 CG2 VAL A 54 -31.802 7.693 0.955 1.00 0.00 C ATOM 0 H VAL A 54 -32.492 5.334 2.055 1.00 0.00 H new ATOM 0 HA VAL A 54 -32.041 5.607 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 54 -30.351 6.313 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -29.181 7.887 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -28.959 6.203 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.117 7.258 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -31.302 8.571 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -32.238 7.941 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -32.590 7.374 1.637 1.00 0.00 H new ATOM 229 N VAL A 55 -30.267 4.084 -1.463 1.00 0.00 N ATOM 230 CA VAL A 55 -29.310 3.105 -1.971 1.00 0.00 C ATOM 231 C VAL A 55 -27.884 3.655 -1.938 1.00 0.00 C ATOM 232 O VAL A 55 -26.917 2.895 -1.918 1.00 0.00 O ATOM 233 CB VAL A 55 -29.673 2.718 -3.405 1.00 0.00 C ATOM 234 CG1 VAL A 55 -28.595 1.794 -3.973 1.00 0.00 C ATOM 235 CG2 VAL A 55 -31.020 1.991 -3.409 1.00 0.00 C ATOM 0 H VAL A 55 -30.769 4.596 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 55 -29.355 2.226 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 55 -29.741 3.617 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -28.854 1.518 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -27.635 2.309 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -28.527 0.895 -3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -31.281 1.714 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -30.950 1.092 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -31.789 2.648 -3.003 1.00 0.00 H new ATOM 245 N LYS A 56 -27.760 4.977 -1.964 1.00 0.00 N ATOM 246 CA LYS A 56 -26.445 5.612 -1.970 1.00 0.00 C ATOM 247 C LYS A 56 -25.635 5.198 -0.740 1.00 0.00 C ATOM 248 O LYS A 56 -24.440 4.918 -0.847 1.00 0.00 O ATOM 249 CB LYS A 56 -26.610 7.139 -1.993 1.00 0.00 C ATOM 250 CG LYS A 56 -25.254 7.834 -2.201 1.00 0.00 C ATOM 251 CD LYS A 56 -24.929 7.911 -3.697 1.00 0.00 C ATOM 252 CE LYS A 56 -23.610 8.660 -3.893 1.00 0.00 C ATOM 253 NZ LYS A 56 -23.750 10.054 -3.385 1.00 0.00 N ATOM 0 H LYS A 56 -28.546 5.627 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 56 -25.907 5.288 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -27.295 7.423 -2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.056 7.475 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -25.281 8.837 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -24.471 7.285 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -24.856 6.908 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -25.732 8.421 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -22.806 8.148 -3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -23.340 8.672 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -23.321 10.715 -4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -24.758 10.282 -3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -23.268 10.139 -2.467 1.00 0.00 H new ATOM 267 N VAL A 57 -26.276 5.163 0.423 1.00 0.00 N ATOM 268 CA VAL A 57 -25.576 4.782 1.647 1.00 0.00 C ATOM 269 C VAL A 57 -25.070 3.343 1.549 1.00 0.00 C ATOM 270 O VAL A 57 -23.991 3.019 2.046 1.00 0.00 O ATOM 271 CB VAL A 57 -26.504 4.923 2.855 1.00 0.00 C ATOM 272 CG1 VAL A 57 -27.555 3.814 2.831 1.00 0.00 C ATOM 273 CG2 VAL A 57 -25.682 4.818 4.142 1.00 0.00 C ATOM 0 H VAL A 57 -27.263 5.390 0.545 1.00 0.00 H new ATOM 0 HA VAL A 57 -24.722 5.448 1.774 1.00 0.00 H new ATOM 0 HB VAL A 57 -27.002 5.892 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -28.214 3.918 3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -28.141 3.888 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -27.061 2.843 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -26.341 4.918 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -25.183 3.849 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -24.935 5.612 4.162 1.00 0.00 H new ATOM 283 N VAL A 58 -25.854 2.486 0.904 1.00 0.00 N ATOM 284 CA VAL A 58 -25.478 1.085 0.740 1.00 0.00 C ATOM 285 C VAL A 58 -24.210 0.963 -0.099 1.00 0.00 C ATOM 286 O VAL A 58 -23.333 0.152 0.195 1.00 0.00 O ATOM 287 CB VAL A 58 -26.612 0.306 0.070 1.00 0.00 C ATOM 288 CG1 VAL A 58 -26.123 -1.096 -0.295 1.00 0.00 C ATOM 289 CG2 VAL A 58 -27.794 0.198 1.036 1.00 0.00 C ATOM 0 H VAL A 58 -26.751 2.735 0.487 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.289 0.666 1.729 1.00 0.00 H new ATOM 0 HB VAL A 58 -26.926 0.827 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -26.931 -1.650 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -25.280 -1.020 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -25.809 -1.618 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -28.603 -0.357 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -27.479 -0.323 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -28.143 1.197 1.297 1.00 0.00 H new ATOM 299 N GLU A 59 -24.132 1.761 -1.159 1.00 0.00 N ATOM 300 CA GLU A 59 -22.978 1.718 -2.048 1.00 0.00 C ATOM 301 C GLU A 59 -21.695 2.043 -1.289 1.00 0.00 C ATOM 302 O GLU A 59 -20.664 1.407 -1.507 1.00 0.00 O ATOM 303 CB GLU A 59 -23.162 2.717 -3.192 1.00 0.00 C ATOM 304 CG GLU A 59 -24.264 2.221 -4.132 1.00 0.00 C ATOM 305 CD GLU A 59 -24.573 3.286 -5.179 1.00 0.00 C ATOM 306 OE1 GLU A 59 -24.113 4.403 -5.013 1.00 0.00 O ATOM 307 OE2 GLU A 59 -25.268 2.968 -6.131 1.00 0.00 O ATOM 0 H GLU A 59 -24.847 2.439 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 59 -22.898 0.709 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -23.423 3.698 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -22.227 2.834 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.949 1.299 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -25.163 1.988 -3.561 1.00 0.00 H new ATOM 314 N SER A 60 -21.758 3.021 -0.390 1.00 0.00 N ATOM 315 CA SER A 60 -20.583 3.389 0.393 1.00 0.00 C ATOM 316 C SER A 60 -20.171 2.232 1.299 1.00 0.00 C ATOM 317 O SER A 60 -18.985 1.982 1.510 1.00 0.00 O ATOM 318 CB SER A 60 -20.885 4.624 1.242 1.00 0.00 C ATOM 319 OG SER A 60 -21.918 4.317 2.168 1.00 0.00 O ATOM 0 H SER A 60 -22.596 3.566 -0.187 1.00 0.00 H new ATOM 0 HA SER A 60 -19.765 3.615 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 60 -19.988 4.942 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 60 -21.188 5.453 0.603 1.00 0.00 H new ATOM 0 HG SER A 60 -22.632 3.826 1.710 1.00 0.00 H new ATOM 325 N GLN A 61 -21.169 1.528 1.828 1.00 0.00 N ATOM 326 CA GLN A 61 -20.922 0.392 2.709 1.00 0.00 C ATOM 327 C GLN A 61 -20.213 -0.730 1.958 1.00 0.00 C ATOM 328 O GLN A 61 -19.349 -1.411 2.510 1.00 0.00 O ATOM 329 CB GLN A 61 -22.243 -0.127 3.280 1.00 0.00 C ATOM 330 CG GLN A 61 -22.808 0.891 4.271 1.00 0.00 C ATOM 331 CD GLN A 61 -24.217 0.485 4.688 1.00 0.00 C ATOM 332 OE1 GLN A 61 -24.935 -0.150 3.916 1.00 0.00 O ATOM 333 NE2 GLN A 61 -24.659 0.816 5.871 1.00 0.00 N ATOM 0 H GLN A 61 -22.156 1.725 1.661 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.281 0.726 3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.956 -0.300 2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -22.085 -1.084 3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.164 0.953 5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.825 1.882 3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -24.062 1.342 6.509 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -25.601 0.548 6.157 1.00 0.00 H new ATOM 342 N ALA A 62 -20.591 -0.919 0.699 1.00 0.00 N ATOM 343 CA ALA A 62 -19.994 -1.968 -0.121 1.00 0.00 C ATOM 344 C ALA A 62 -18.490 -1.756 -0.264 1.00 0.00 C ATOM 345 O ALA A 62 -17.717 -2.713 -0.239 1.00 0.00 O ATOM 346 CB ALA A 62 -20.641 -1.975 -1.507 1.00 0.00 C ATOM 0 H ALA A 62 -21.304 -0.364 0.225 1.00 0.00 H new ATOM 0 HA ALA A 62 -20.167 -2.926 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -20.191 -2.760 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -21.711 -2.160 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -20.483 -1.009 -1.987 1.00 0.00 H new ATOM 352 N GLU A 63 -18.078 -0.502 -0.415 1.00 0.00 N ATOM 353 CA GLU A 63 -16.662 -0.193 -0.561 1.00 0.00 C ATOM 354 C GLU A 63 -15.892 -0.657 0.673 1.00 0.00 C ATOM 355 O GLU A 63 -14.822 -1.253 0.561 1.00 0.00 O ATOM 356 CB GLU A 63 -16.473 1.314 -0.754 1.00 0.00 C ATOM 357 CG GLU A 63 -14.990 1.630 -0.961 1.00 0.00 C ATOM 358 CD GLU A 63 -14.806 3.120 -1.225 1.00 0.00 C ATOM 359 OE1 GLU A 63 -15.800 3.826 -1.235 1.00 0.00 O ATOM 360 OE2 GLU A 63 -13.673 3.533 -1.412 1.00 0.00 O ATOM 0 H GLU A 63 -18.697 0.308 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.277 -0.717 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -17.050 1.655 -1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.850 1.851 0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.421 1.336 -0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.600 1.053 -1.800 1.00 0.00 H new ATOM 367 N LEU A 64 -16.450 -0.388 1.849 1.00 0.00 N ATOM 368 CA LEU A 64 -15.815 -0.789 3.095 1.00 0.00 C ATOM 369 C LEU A 64 -15.707 -2.311 3.159 1.00 0.00 C ATOM 370 O LEU A 64 -14.681 -2.857 3.556 1.00 0.00 O ATOM 371 CB LEU A 64 -16.640 -0.270 4.278 1.00 0.00 C ATOM 372 CG LEU A 64 -15.984 -0.668 5.605 1.00 0.00 C ATOM 373 CD1 LEU A 64 -14.585 -0.057 5.695 1.00 0.00 C ATOM 374 CD2 LEU A 64 -16.839 -0.144 6.761 1.00 0.00 C ATOM 0 H LEU A 64 -17.336 0.104 1.963 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.812 -0.365 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -16.728 0.815 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -17.651 -0.675 4.229 1.00 0.00 H new ATOM 0 HG LEU A 64 -15.906 -1.754 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.123 -0.343 6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.975 -0.421 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.658 1.029 5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.379 -0.423 7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -16.910 0.942 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -17.837 -0.577 6.701 1.00 0.00 H new ATOM 386 N TYR A 65 -16.780 -2.984 2.765 1.00 0.00 N ATOM 387 CA TYR A 65 -16.811 -4.443 2.777 1.00 0.00 C ATOM 388 C TYR A 65 -15.730 -5.024 1.867 1.00 0.00 C ATOM 389 O TYR A 65 -15.027 -5.964 2.242 1.00 0.00 O ATOM 390 CB TYR A 65 -18.183 -4.940 2.320 1.00 0.00 C ATOM 391 CG TYR A 65 -18.186 -6.450 2.295 1.00 0.00 C ATOM 392 CD1 TYR A 65 -18.329 -7.169 3.488 1.00 0.00 C ATOM 393 CD2 TYR A 65 -18.044 -7.131 1.080 1.00 0.00 C ATOM 394 CE1 TYR A 65 -18.330 -8.569 3.466 1.00 0.00 C ATOM 395 CE2 TYR A 65 -18.046 -8.531 1.059 1.00 0.00 C ATOM 396 CZ TYR A 65 -18.188 -9.250 2.251 1.00 0.00 C ATOM 397 OH TYR A 65 -18.190 -10.629 2.230 1.00 0.00 O ATOM 0 H TYR A 65 -17.639 -2.545 2.434 1.00 0.00 H new ATOM 0 HA TYR A 65 -16.621 -4.776 3.797 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.958 -4.575 2.994 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -18.413 -4.548 1.329 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -18.439 -6.644 4.425 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.933 -6.577 0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.440 -9.123 4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.938 -9.057 0.122 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.556 -10.943 1.377 1.00 0.00 H new ATOM 407 N SER A 66 -15.621 -4.474 0.661 1.00 0.00 N ATOM 408 CA SER A 66 -14.645 -4.958 -0.311 1.00 0.00 C ATOM 409 C SER A 66 -13.216 -4.807 0.205 1.00 0.00 C ATOM 410 O SER A 66 -12.314 -5.521 -0.236 1.00 0.00 O ATOM 411 CB SER A 66 -14.794 -4.186 -1.621 1.00 0.00 C ATOM 412 OG SER A 66 -14.490 -2.816 -1.396 1.00 0.00 O ATOM 0 H SER A 66 -16.194 -3.696 0.334 1.00 0.00 H new ATOM 0 HA SER A 66 -14.838 -6.018 -0.477 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.127 -4.599 -2.378 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.810 -4.287 -2.002 1.00 0.00 H new ATOM 0 HG SER A 66 -14.689 -2.585 -0.465 1.00 0.00 H new ATOM 418 N LEU A 67 -13.009 -3.883 1.135 1.00 0.00 N ATOM 419 CA LEU A 67 -11.674 -3.668 1.685 1.00 0.00 C ATOM 420 C LEU A 67 -11.185 -4.942 2.370 1.00 0.00 C ATOM 421 O LEU A 67 -10.034 -5.347 2.208 1.00 0.00 O ATOM 422 CB LEU A 67 -11.699 -2.509 2.690 1.00 0.00 C ATOM 423 CG LEU A 67 -10.295 -2.258 3.252 1.00 0.00 C ATOM 424 CD1 LEU A 67 -9.340 -1.880 2.116 1.00 0.00 C ATOM 425 CD2 LEU A 67 -10.357 -1.109 4.261 1.00 0.00 C ATOM 0 H LEU A 67 -13.735 -3.279 1.520 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.992 -3.415 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.070 -1.606 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.387 -2.739 3.503 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.934 -3.163 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.344 -1.703 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.297 -2.693 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.698 -0.975 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.361 -0.925 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.719 -0.209 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -11.034 -1.374 5.073 1.00 0.00 H new ATOM 437 N GLU A 68 -12.075 -5.570 3.133 1.00 0.00 N ATOM 438 CA GLU A 68 -11.737 -6.800 3.839 1.00 0.00 C ATOM 439 C GLU A 68 -11.372 -7.901 2.847 1.00 0.00 C ATOM 440 O GLU A 68 -10.445 -8.677 3.076 1.00 0.00 O ATOM 441 CB GLU A 68 -12.924 -7.250 4.697 1.00 0.00 C ATOM 442 CG GLU A 68 -12.545 -8.502 5.492 1.00 0.00 C ATOM 443 CD GLU A 68 -13.701 -8.912 6.398 1.00 0.00 C ATOM 444 OE1 GLU A 68 -14.715 -8.234 6.373 1.00 0.00 O ATOM 445 OE2 GLU A 68 -13.555 -9.896 7.104 1.00 0.00 O ATOM 0 H GLU A 68 -13.032 -5.248 3.277 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.878 -6.608 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.216 -6.450 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.785 -7.458 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.300 -9.316 4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.654 -8.308 6.090 1.00 0.00 H new ATOM 452 N LYS A 69 -12.113 -7.961 1.745 1.00 0.00 N ATOM 453 CA LYS A 69 -11.868 -8.971 0.720 1.00 0.00 C ATOM 454 C LYS A 69 -10.545 -8.699 0.008 1.00 0.00 C ATOM 455 O LYS A 69 -9.945 -9.606 -0.569 1.00 0.00 O ATOM 456 CB LYS A 69 -13.009 -8.966 -0.302 1.00 0.00 C ATOM 457 CG LYS A 69 -14.317 -9.438 0.353 1.00 0.00 C ATOM 458 CD LYS A 69 -14.374 -10.971 0.394 1.00 0.00 C ATOM 459 CE LYS A 69 -15.739 -11.412 0.925 1.00 0.00 C ATOM 460 NZ LYS A 69 -15.805 -12.901 0.952 1.00 0.00 N ATOM 0 H LYS A 69 -12.884 -7.326 1.539 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.816 -9.947 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -13.139 -7.962 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.759 -9.617 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.389 -9.038 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.170 -9.051 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.210 -11.379 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.580 -11.359 1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.898 -11.012 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.533 -11.014 0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.733 -13.201 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.672 -13.272 -0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.056 -13.270 1.572 1.00 0.00 H new ATOM 474 N ASN A 70 -10.094 -7.450 0.055 1.00 0.00 N ATOM 475 CA ASN A 70 -8.839 -7.078 -0.589 1.00 0.00 C ATOM 476 C ASN A 70 -8.856 -7.459 -2.066 1.00 0.00 C ATOM 477 O ASN A 70 -7.889 -8.018 -2.584 1.00 0.00 O ATOM 478 CB ASN A 70 -7.669 -7.774 0.106 1.00 0.00 C ATOM 479 CG ASN A 70 -6.359 -7.088 -0.264 1.00 0.00 C ATOM 480 OD1 ASN A 70 -6.323 -5.869 -0.433 1.00 0.00 O ATOM 481 ND2 ASN A 70 -5.275 -7.801 -0.402 1.00 0.00 N ATOM 0 H ASN A 70 -10.574 -6.684 0.528 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.720 -5.998 -0.508 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.810 -7.748 1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.634 -8.824 -0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.395 -7.349 -0.650 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.307 -8.811 -0.261 1.00 0.00 H new ATOM 488 N GLU A 71 -9.960 -7.153 -2.737 1.00 0.00 N ATOM 489 CA GLU A 71 -10.096 -7.465 -4.155 1.00 0.00 C ATOM 490 C GLU A 71 -9.046 -6.718 -4.973 1.00 0.00 C ATOM 491 O GLU A 71 -8.487 -7.260 -5.927 1.00 0.00 O ATOM 492 CB GLU A 71 -11.495 -7.082 -4.642 1.00 0.00 C ATOM 493 CG GLU A 71 -12.524 -8.038 -4.038 1.00 0.00 C ATOM 494 CD GLU A 71 -13.935 -7.568 -4.378 1.00 0.00 C ATOM 495 OE1 GLU A 71 -14.068 -6.453 -4.855 1.00 0.00 O ATOM 496 OE2 GLU A 71 -14.861 -8.331 -4.157 1.00 0.00 O ATOM 0 H GLU A 71 -10.771 -6.691 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.946 -8.536 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.724 -6.056 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.537 -7.125 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.365 -9.046 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.398 -8.085 -2.956 1.00 0.00 H new ATOM 503 N ASP A 72 -8.776 -5.476 -4.585 1.00 0.00 N ATOM 504 CA ASP A 72 -7.782 -4.666 -5.282 1.00 0.00 C ATOM 505 C ASP A 72 -6.483 -4.621 -4.482 1.00 0.00 C ATOM 506 O ASP A 72 -6.403 -3.944 -3.457 1.00 0.00 O ATOM 507 CB ASP A 72 -8.312 -3.245 -5.482 1.00 0.00 C ATOM 508 CG ASP A 72 -7.288 -2.408 -6.239 1.00 0.00 C ATOM 509 OD1 ASP A 72 -7.063 -2.696 -7.404 1.00 0.00 O ATOM 510 OD2 ASP A 72 -6.745 -1.492 -5.645 1.00 0.00 O ATOM 0 H ASP A 72 -9.227 -5.011 -3.798 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.585 -5.117 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.251 -3.273 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.524 -2.788 -4.516 1.00 0.00 H new ATOM 515 N ALA A 73 -5.472 -5.348 -4.948 1.00 0.00 N ATOM 516 CA ALA A 73 -4.189 -5.382 -4.251 1.00 0.00 C ATOM 517 C ALA A 73 -3.164 -4.475 -4.929 1.00 0.00 C ATOM 518 O ALA A 73 -2.556 -4.846 -5.933 1.00 0.00 O ATOM 519 CB ALA A 73 -3.655 -6.813 -4.215 1.00 0.00 C ATOM 0 H ALA A 73 -5.514 -5.915 -5.795 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.350 -5.020 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.698 -6.831 -3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.365 -7.453 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.520 -7.177 -5.234 1.00 0.00 H new ATOM 525 N SER A 74 -2.983 -3.284 -4.368 1.00 0.00 N ATOM 526 CA SER A 74 -2.033 -2.315 -4.912 1.00 0.00 C ATOM 527 C SER A 74 -0.601 -2.718 -4.570 1.00 0.00 C ATOM 528 O SER A 74 -0.378 -3.696 -3.858 1.00 0.00 O ATOM 529 CB SER A 74 -2.323 -0.922 -4.350 1.00 0.00 C ATOM 530 OG SER A 74 -1.981 -0.891 -2.972 1.00 0.00 O ATOM 0 H SER A 74 -3.481 -2.965 -3.537 1.00 0.00 H new ATOM 0 HA SER A 74 -2.144 -2.297 -5.996 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.751 -0.171 -4.895 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.377 -0.677 -4.480 1.00 0.00 H new ATOM 0 HG SER A 74 -2.164 0.001 -2.609 1.00 0.00 H new ATOM 536 N LEU A 75 0.369 -1.960 -5.079 1.00 0.00 N ATOM 537 CA LEU A 75 1.766 -2.273 -4.802 1.00 0.00 C ATOM 538 C LEU A 75 1.962 -2.303 -3.293 1.00 0.00 C ATOM 539 O LEU A 75 2.543 -3.241 -2.747 1.00 0.00 O ATOM 540 CB LEU A 75 2.677 -1.215 -5.437 1.00 0.00 C ATOM 541 CG LEU A 75 4.149 -1.516 -5.120 1.00 0.00 C ATOM 542 CD1 LEU A 75 4.529 -2.888 -5.680 1.00 0.00 C ATOM 543 CD2 LEU A 75 5.030 -0.446 -5.768 1.00 0.00 C ATOM 0 H LEU A 75 0.218 -1.144 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 75 2.024 -3.243 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.527 -1.198 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.413 -0.226 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 75 4.295 -1.514 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.574 -3.097 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.899 -3.653 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.385 -2.893 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.077 -0.654 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.879 -0.455 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.763 0.534 -5.372 1.00 0.00 H new ATOM 555 N ARG A 76 1.481 -1.268 -2.624 1.00 0.00 N ATOM 556 CA ARG A 76 1.617 -1.193 -1.180 1.00 0.00 C ATOM 557 C ARG A 76 1.086 -2.478 -0.550 1.00 0.00 C ATOM 558 O ARG A 76 1.715 -3.042 0.345 1.00 0.00 O ATOM 559 CB ARG A 76 0.838 0.010 -0.641 1.00 0.00 C ATOM 560 CG ARG A 76 0.998 0.090 0.878 1.00 0.00 C ATOM 561 CD ARG A 76 0.330 1.364 1.395 1.00 0.00 C ATOM 562 NE ARG A 76 0.410 1.420 2.850 1.00 0.00 N ATOM 563 CZ ARG A 76 1.509 1.845 3.461 1.00 0.00 C ATOM 564 NH1 ARG A 76 1.557 1.886 4.765 1.00 0.00 N ATOM 565 NH2 ARG A 76 2.542 2.223 2.759 1.00 0.00 N ATOM 0 H ARG A 76 0.999 -0.478 -3.052 1.00 0.00 H new ATOM 0 HA ARG A 76 2.670 -1.074 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.202 0.928 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.217 -0.082 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.549 -0.785 1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.055 0.088 1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.816 2.239 0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.713 1.390 1.080 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.392 1.128 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.750 1.591 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.402 2.213 5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.505 2.192 1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.386 2.550 3.229 1.00 0.00 H new ATOM 579 N LYS A 77 -0.067 -2.946 -1.026 1.00 0.00 N ATOM 580 CA LYS A 77 -0.642 -4.178 -0.496 1.00 0.00 C ATOM 581 C LYS A 77 0.309 -5.343 -0.775 1.00 0.00 C ATOM 582 O LYS A 77 0.644 -6.115 0.123 1.00 0.00 O ATOM 583 CB LYS A 77 -1.989 -4.459 -1.178 1.00 0.00 C ATOM 584 CG LYS A 77 -2.976 -3.298 -0.963 1.00 0.00 C ATOM 585 CD LYS A 77 -3.451 -3.242 0.492 1.00 0.00 C ATOM 586 CE LYS A 77 -4.560 -2.196 0.620 1.00 0.00 C ATOM 587 NZ LYS A 77 -5.031 -2.139 2.033 1.00 0.00 N ATOM 0 H LYS A 77 -0.612 -2.500 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.793 -4.069 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.833 -4.614 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.415 -5.380 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.498 -2.356 -1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.834 -3.418 -1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.819 -4.219 0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.619 -2.989 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.190 -1.219 0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.389 -2.448 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.785 -1.428 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.400 -3.070 2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.238 -1.879 2.653 1.00 0.00 H new ATOM 601 N LEU A 78 0.716 -5.468 -2.037 1.00 0.00 N ATOM 602 CA LEU A 78 1.609 -6.553 -2.444 1.00 0.00 C ATOM 603 C LEU A 78 2.661 -6.807 -1.371 1.00 0.00 C ATOM 604 O LEU A 78 2.694 -7.885 -0.777 1.00 0.00 O ATOM 605 CB LEU A 78 2.297 -6.212 -3.766 1.00 0.00 C ATOM 606 CG LEU A 78 1.712 -7.068 -4.890 1.00 0.00 C ATOM 607 CD1 LEU A 78 0.209 -6.805 -5.007 1.00 0.00 C ATOM 608 CD2 LEU A 78 2.396 -6.709 -6.211 1.00 0.00 C ATOM 0 H LEU A 78 0.444 -4.837 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 78 1.011 -7.454 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.163 -5.155 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.370 -6.387 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 78 1.878 -8.122 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.206 -7.416 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.279 -7.060 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.040 -5.751 -5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.980 -7.318 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.229 -5.655 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.466 -6.898 -6.130 1.00 0.00 H new ATOM 620 N GLN A 79 3.528 -5.829 -1.127 1.00 0.00 N ATOM 621 CA GLN A 79 4.573 -6.002 -0.121 1.00 0.00 C ATOM 622 C GLN A 79 3.940 -6.381 1.211 1.00 0.00 C ATOM 623 O GLN A 79 4.475 -7.199 1.958 1.00 0.00 O ATOM 624 CB GLN A 79 5.369 -4.703 0.038 1.00 0.00 C ATOM 625 CG GLN A 79 6.604 -4.943 0.915 1.00 0.00 C ATOM 626 CD GLN A 79 6.204 -4.956 2.387 1.00 0.00 C ATOM 627 OE1 GLN A 79 5.244 -4.291 2.777 1.00 0.00 O ATOM 628 NE2 GLN A 79 6.888 -5.678 3.233 1.00 0.00 N ATOM 0 H GLN A 79 3.531 -4.926 -1.601 1.00 0.00 H new ATOM 0 HA GLN A 79 5.249 -6.795 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 79 5.675 -4.333 -0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.739 -3.935 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 79 7.071 -5.891 0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.344 -4.162 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.683 -6.228 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.627 -5.692 4.219 1.00 0.00 H new ATOM 637 N ALA A 80 2.793 -5.783 1.494 1.00 0.00 N ATOM 638 CA ALA A 80 2.087 -6.070 2.733 1.00 0.00 C ATOM 639 C ALA A 80 1.814 -7.569 2.821 1.00 0.00 C ATOM 640 O ALA A 80 1.708 -8.130 3.912 1.00 0.00 O ATOM 641 CB ALA A 80 0.767 -5.300 2.784 1.00 0.00 C ATOM 0 H ALA A 80 2.334 -5.102 0.889 1.00 0.00 H new ATOM 0 HA ALA A 80 2.704 -5.758 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.250 -5.525 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.968 -4.230 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.141 -5.595 1.942 1.00 0.00 H new ATOM 647 N ASP A 81 1.725 -8.213 1.660 1.00 0.00 N ATOM 648 CA ASP A 81 1.490 -9.652 1.602 1.00 0.00 C ATOM 649 C ASP A 81 2.817 -10.397 1.455 1.00 0.00 C ATOM 650 O ASP A 81 2.846 -11.623 1.347 1.00 0.00 O ATOM 651 CB ASP A 81 0.577 -9.987 0.422 1.00 0.00 C ATOM 652 CG ASP A 81 -0.832 -9.469 0.691 1.00 0.00 C ATOM 653 OD1 ASP A 81 -1.112 -9.140 1.832 1.00 0.00 O ATOM 654 OD2 ASP A 81 -1.609 -9.409 -0.247 1.00 0.00 O ATOM 0 H ASP A 81 1.812 -7.762 0.749 1.00 0.00 H new ATOM 0 HA ASP A 81 1.007 -9.965 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.970 -9.540 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.553 -11.065 0.264 1.00 0.00 H new ATOM 659 N GLY A 82 3.912 -9.640 1.453 1.00 0.00 N ATOM 660 CA GLY A 82 5.245 -10.226 1.320 1.00 0.00 C ATOM 661 C GLY A 82 5.555 -10.577 -0.133 1.00 0.00 C ATOM 662 O GLY A 82 6.484 -11.333 -0.417 1.00 0.00 O ATOM 0 H GLY A 82 3.904 -8.624 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.991 -9.525 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.313 -11.123 1.935 1.00 0.00 H new ATOM 666 N ARG A 83 4.768 -10.023 -1.048 1.00 0.00 N ATOM 667 CA ARG A 83 4.954 -10.276 -2.475 1.00 0.00 C ATOM 668 C ARG A 83 6.312 -9.765 -2.958 1.00 0.00 C ATOM 669 O ARG A 83 6.940 -10.382 -3.817 1.00 0.00 O ATOM 670 CB ARG A 83 3.831 -9.614 -3.274 1.00 0.00 C ATOM 671 CG ARG A 83 2.533 -10.400 -3.065 1.00 0.00 C ATOM 672 CD ARG A 83 2.313 -11.345 -4.248 1.00 0.00 C ATOM 673 NE ARG A 83 3.433 -12.271 -4.372 1.00 0.00 N ATOM 674 CZ ARG A 83 3.508 -13.365 -3.623 1.00 0.00 C ATOM 675 NH1 ARG A 83 4.524 -14.176 -3.754 1.00 0.00 N ATOM 676 NH2 ARG A 83 2.568 -13.629 -2.757 1.00 0.00 N ATOM 0 H ARG A 83 3.994 -9.395 -0.829 1.00 0.00 H new ATOM 0 HA ARG A 83 4.924 -11.354 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.700 -8.581 -2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.088 -9.588 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.585 -10.968 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.691 -9.714 -2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.386 -11.901 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.205 -10.769 -5.167 1.00 0.00 H new ATOM 0 HE ARG A 83 4.172 -12.075 -5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.258 -13.968 -4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.583 -15.017 -3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.775 -12.995 -2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.626 -14.469 -2.182 1.00 0.00 H new ATOM 690 N ILE A 84 6.757 -8.638 -2.403 1.00 0.00 N ATOM 691 CA ILE A 84 8.044 -8.056 -2.785 1.00 0.00 C ATOM 692 C ILE A 84 8.920 -7.829 -1.558 1.00 0.00 C ATOM 693 O ILE A 84 8.440 -7.882 -0.426 1.00 0.00 O ATOM 694 CB ILE A 84 7.826 -6.737 -3.533 1.00 0.00 C ATOM 695 CG1 ILE A 84 7.042 -5.757 -2.653 1.00 0.00 C ATOM 696 CG2 ILE A 84 7.038 -7.013 -4.813 1.00 0.00 C ATOM 697 CD1 ILE A 84 7.022 -4.378 -3.315 1.00 0.00 C ATOM 0 H ILE A 84 6.249 -8.112 -1.692 1.00 0.00 H new ATOM 0 HA ILE A 84 8.556 -8.756 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 84 8.793 -6.297 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.023 -6.117 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.500 -5.692 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 84 6.879 -6.078 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.598 -7.704 -5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.074 -7.454 -4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.464 -3.682 -2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.044 -4.018 -3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 84 6.544 -4.450 -4.292 1.00 0.00 H new ATOM 709 N THR A 85 10.210 -7.596 -1.785 1.00 0.00 N ATOM 710 CA THR A 85 11.133 -7.388 -0.678 1.00 0.00 C ATOM 711 C THR A 85 10.858 -6.069 0.032 1.00 0.00 C ATOM 712 O THR A 85 10.653 -5.034 -0.602 1.00 0.00 O ATOM 713 CB THR A 85 12.575 -7.387 -1.184 1.00 0.00 C ATOM 714 OG1 THR A 85 12.737 -6.346 -2.132 1.00 0.00 O ATOM 715 CG2 THR A 85 12.898 -8.726 -1.840 1.00 0.00 C ATOM 0 H THR A 85 10.633 -7.547 -2.712 1.00 0.00 H new ATOM 0 HA THR A 85 10.987 -8.206 0.028 1.00 0.00 H new ATOM 0 HB THR A 85 13.251 -7.230 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.539 -6.687 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.928 -8.717 -2.198 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.774 -9.527 -1.112 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.223 -8.892 -2.680 1.00 0.00 H new ATOM 723 N GLU A 86 10.886 -6.120 1.357 1.00 0.00 N ATOM 724 CA GLU A 86 10.670 -4.934 2.174 1.00 0.00 C ATOM 725 C GLU A 86 11.882 -4.005 2.105 1.00 0.00 C ATOM 726 O GLU A 86 11.744 -2.783 2.086 1.00 0.00 O ATOM 727 CB GLU A 86 10.417 -5.343 3.627 1.00 0.00 C ATOM 728 CG GLU A 86 10.120 -4.102 4.474 1.00 0.00 C ATOM 729 CD GLU A 86 9.799 -4.516 5.906 1.00 0.00 C ATOM 730 OE1 GLU A 86 9.821 -5.705 6.178 1.00 0.00 O ATOM 731 OE2 GLU A 86 9.536 -3.637 6.711 1.00 0.00 O ATOM 0 H GLU A 86 11.057 -6.973 1.890 1.00 0.00 H new ATOM 0 HA GLU A 86 9.800 -4.402 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.579 -6.038 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.288 -5.865 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.978 -3.430 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.280 -3.553 4.048 1.00 0.00 H new ATOM 738 N GLU A 87 13.070 -4.606 2.103 1.00 0.00 N ATOM 739 CA GLU A 87 14.319 -3.850 2.082 1.00 0.00 C ATOM 740 C GLU A 87 14.478 -3.005 0.820 1.00 0.00 C ATOM 741 O GLU A 87 14.981 -1.887 0.888 1.00 0.00 O ATOM 742 CB GLU A 87 15.505 -4.810 2.193 1.00 0.00 C ATOM 743 CG GLU A 87 15.552 -5.403 3.602 1.00 0.00 C ATOM 744 CD GLU A 87 16.620 -6.489 3.675 1.00 0.00 C ATOM 745 OE1 GLU A 87 17.099 -6.893 2.628 1.00 0.00 O ATOM 746 OE2 GLU A 87 16.944 -6.901 4.777 1.00 0.00 O ATOM 0 H GLU A 87 13.193 -5.618 2.116 1.00 0.00 H new ATOM 0 HA GLU A 87 14.291 -3.169 2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.412 -5.607 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.434 -4.283 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.768 -4.619 4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.579 -5.820 3.863 1.00 0.00 H new ATOM 753 N GLN A 88 14.081 -3.537 -0.330 1.00 0.00 N ATOM 754 CA GLN A 88 14.230 -2.795 -1.578 1.00 0.00 C ATOM 755 C GLN A 88 13.413 -1.510 -1.547 1.00 0.00 C ATOM 756 O GLN A 88 13.870 -0.461 -2.001 1.00 0.00 O ATOM 757 CB GLN A 88 13.768 -3.662 -2.742 1.00 0.00 C ATOM 758 CG GLN A 88 14.740 -4.828 -2.913 1.00 0.00 C ATOM 759 CD GLN A 88 16.104 -4.324 -3.374 1.00 0.00 C ATOM 760 OE1 GLN A 88 16.186 -3.486 -4.273 1.00 0.00 O ATOM 761 NE2 GLN A 88 17.185 -4.786 -2.808 1.00 0.00 N ATOM 0 H GLN A 88 13.661 -4.462 -0.426 1.00 0.00 H new ATOM 0 HA GLN A 88 15.281 -2.534 -1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.761 -4.036 -2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.725 -3.071 -3.657 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.844 -5.364 -1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.343 -5.536 -3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.114 -5.480 -2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.101 -4.453 -3.110 1.00 0.00 H new ATOM 770 N ALA A 89 12.212 -1.597 -1.000 1.00 0.00 N ATOM 771 CA ALA A 89 11.347 -0.432 -0.904 1.00 0.00 C ATOM 772 C ALA A 89 12.009 0.640 -0.048 1.00 0.00 C ATOM 773 O ALA A 89 11.898 1.833 -0.331 1.00 0.00 O ATOM 774 CB ALA A 89 10.003 -0.823 -0.288 1.00 0.00 C ATOM 0 H ALA A 89 11.815 -2.456 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 89 11.179 -0.038 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.364 0.057 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.521 -1.575 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.165 -1.231 0.710 1.00 0.00 H new ATOM 780 N LYS A 90 12.692 0.202 1.004 1.00 0.00 N ATOM 781 CA LYS A 90 13.365 1.135 1.906 1.00 0.00 C ATOM 782 C LYS A 90 14.701 1.579 1.316 1.00 0.00 C ATOM 783 O LYS A 90 15.248 2.613 1.702 1.00 0.00 O ATOM 784 CB LYS A 90 13.607 0.467 3.264 1.00 0.00 C ATOM 785 CG LYS A 90 12.287 -0.045 3.869 1.00 0.00 C ATOM 786 CD LYS A 90 11.353 1.118 4.226 1.00 0.00 C ATOM 787 CE LYS A 90 10.160 0.578 5.020 1.00 0.00 C ATOM 788 NZ LYS A 90 9.241 1.702 5.361 1.00 0.00 N ATOM 0 H LYS A 90 12.795 -0.782 1.253 1.00 0.00 H new ATOM 0 HA LYS A 90 12.726 2.008 2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.304 -0.363 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.072 1.179 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.792 -0.708 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.497 -0.633 4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.889 1.864 4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.007 1.614 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.631 -0.174 4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.507 0.088 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.430 1.336 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.750 2.405 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.901 2.150 4.486 1.00 0.00 H new ATOM 802 N ALA A 91 15.235 0.780 0.399 1.00 0.00 N ATOM 803 CA ALA A 91 16.521 1.083 -0.218 1.00 0.00 C ATOM 804 C ALA A 91 16.487 2.433 -0.925 1.00 0.00 C ATOM 805 O ALA A 91 17.466 3.178 -0.893 1.00 0.00 O ATOM 806 CB ALA A 91 16.886 -0.011 -1.223 1.00 0.00 C ATOM 0 H ALA A 91 14.799 -0.080 0.067 1.00 0.00 H new ATOM 0 HA ALA A 91 17.273 1.125 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 91 17.848 0.221 -1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 91 16.951 -0.970 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.120 -0.065 -1.996 1.00 0.00 H new ATOM 812 N TYR A 92 15.367 2.747 -1.565 1.00 0.00 N ATOM 813 CA TYR A 92 15.234 4.010 -2.275 1.00 0.00 C ATOM 814 C TYR A 92 15.434 5.193 -1.330 1.00 0.00 C ATOM 815 O TYR A 92 16.026 6.202 -1.707 1.00 0.00 O ATOM 816 CB TYR A 92 13.851 4.099 -2.922 1.00 0.00 C ATOM 817 CG TYR A 92 13.737 5.396 -3.688 1.00 0.00 C ATOM 818 CD1 TYR A 92 14.336 5.518 -4.947 1.00 0.00 C ATOM 819 CD2 TYR A 92 13.035 6.476 -3.139 1.00 0.00 C ATOM 820 CE1 TYR A 92 14.233 6.720 -5.658 1.00 0.00 C ATOM 821 CE2 TYR A 92 12.932 7.678 -3.849 1.00 0.00 C ATOM 822 CZ TYR A 92 13.531 7.800 -5.109 1.00 0.00 C ATOM 823 OH TYR A 92 13.429 8.984 -5.810 1.00 0.00 O ATOM 0 H TYR A 92 14.543 2.147 -1.606 1.00 0.00 H new ATOM 0 HA TYR A 92 16.003 4.050 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 92 13.696 3.253 -3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 92 13.076 4.046 -2.158 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.878 4.685 -5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.573 6.382 -2.167 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.695 6.814 -6.630 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.391 8.511 -3.425 1.00 0.00 H new ATOM 0 HH TYR A 92 12.909 9.630 -5.288 1.00 0.00 H new ATOM 833 N LYS A 93 14.923 5.072 -0.109 1.00 0.00 N ATOM 834 CA LYS A 93 15.042 6.153 0.866 1.00 0.00 C ATOM 835 C LYS A 93 16.510 6.507 1.098 1.00 0.00 C ATOM 836 O LYS A 93 16.869 7.684 1.141 1.00 0.00 O ATOM 837 CB LYS A 93 14.394 5.729 2.188 1.00 0.00 C ATOM 838 CG LYS A 93 14.481 6.872 3.207 1.00 0.00 C ATOM 839 CD LYS A 93 13.797 6.446 4.507 1.00 0.00 C ATOM 840 CE LYS A 93 13.888 7.581 5.527 1.00 0.00 C ATOM 841 NZ LYS A 93 13.211 7.171 6.790 1.00 0.00 N ATOM 0 H LYS A 93 14.428 4.246 0.228 1.00 0.00 H new ATOM 0 HA LYS A 93 14.530 7.033 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.351 5.459 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.894 4.843 2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.524 7.125 3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.003 7.767 2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.753 6.197 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.272 5.548 4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.932 7.824 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.421 8.481 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.273 7.943 7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.211 6.960 6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.675 6.323 7.173 1.00 0.00 H new ATOM 855 N GLU A 94 17.353 5.493 1.262 1.00 0.00 N ATOM 856 CA GLU A 94 18.774 5.725 1.505 1.00 0.00 C ATOM 857 C GLU A 94 19.345 6.710 0.490 1.00 0.00 C ATOM 858 O GLU A 94 20.337 7.382 0.760 1.00 0.00 O ATOM 859 CB GLU A 94 19.539 4.401 1.423 1.00 0.00 C ATOM 860 CG GLU A 94 21.007 4.630 1.791 1.00 0.00 C ATOM 861 CD GLU A 94 21.762 3.307 1.772 1.00 0.00 C ATOM 862 OE1 GLU A 94 21.143 2.297 1.479 1.00 0.00 O ATOM 863 OE2 GLU A 94 22.950 3.320 2.052 1.00 0.00 O ATOM 0 H GLU A 94 17.081 4.510 1.232 1.00 0.00 H new ATOM 0 HA GLU A 94 18.886 6.150 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.094 3.670 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.466 3.990 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 94 21.462 5.328 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 94 21.076 5.083 2.780 1.00 0.00 H new ATOM 870 N TYR A 95 18.727 6.784 -0.681 1.00 0.00 N ATOM 871 CA TYR A 95 19.214 7.686 -1.720 1.00 0.00 C ATOM 872 C TYR A 95 19.346 9.102 -1.166 1.00 0.00 C ATOM 873 O TYR A 95 20.367 9.760 -1.366 1.00 0.00 O ATOM 874 CB TYR A 95 18.250 7.693 -2.908 1.00 0.00 C ATOM 875 CG TYR A 95 18.736 8.679 -3.944 1.00 0.00 C ATOM 876 CD1 TYR A 95 19.784 8.331 -4.805 1.00 0.00 C ATOM 877 CD2 TYR A 95 18.139 9.941 -4.042 1.00 0.00 C ATOM 878 CE1 TYR A 95 20.234 9.246 -5.764 1.00 0.00 C ATOM 879 CE2 TYR A 95 18.589 10.856 -5.002 1.00 0.00 C ATOM 880 CZ TYR A 95 19.637 10.508 -5.862 1.00 0.00 C ATOM 881 OH TYR A 95 20.081 11.410 -6.808 1.00 0.00 O ATOM 0 H TYR A 95 17.901 6.241 -0.935 1.00 0.00 H new ATOM 0 HA TYR A 95 20.191 7.336 -2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 95 18.184 6.696 -3.342 1.00 0.00 H new ATOM 0 HB3 TYR A 95 17.248 7.963 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 95 20.245 7.357 -4.729 1.00 0.00 H new ATOM 0 HD2 TYR A 95 17.331 10.209 -3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 95 21.042 8.978 -6.428 1.00 0.00 H new ATOM 0 HE2 TYR A 95 18.128 11.829 -5.079 1.00 0.00 H new ATOM 0 HH TYR A 95 19.559 12.237 -6.742 1.00 0.00 H new ATOM 891 N ASN A 96 18.313 9.571 -0.474 1.00 0.00 N ATOM 892 CA ASN A 96 18.338 10.914 0.096 1.00 0.00 C ATOM 893 C ASN A 96 19.612 11.142 0.906 1.00 0.00 C ATOM 894 O ASN A 96 20.038 12.280 1.105 1.00 0.00 O ATOM 895 CB ASN A 96 17.119 11.119 0.995 1.00 0.00 C ATOM 896 CG ASN A 96 17.122 10.108 2.138 1.00 0.00 C ATOM 897 OD1 ASN A 96 18.134 9.455 2.392 1.00 0.00 O ATOM 898 ND2 ASN A 96 16.042 9.940 2.850 1.00 0.00 N ATOM 0 H ASN A 96 17.456 9.048 -0.295 1.00 0.00 H new ATOM 0 HA ASN A 96 18.316 11.632 -0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 96 17.123 12.132 1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 96 16.206 11.012 0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 96 16.036 9.268 3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 96 15.203 10.481 2.640 1.00 0.00 H new ATOM 905 N ASP A 97 20.215 10.054 1.366 1.00 0.00 N ATOM 906 CA ASP A 97 21.444 10.141 2.151 1.00 0.00 C ATOM 907 C ASP A 97 22.535 10.841 1.348 1.00 0.00 C ATOM 908 O ASP A 97 23.499 11.361 1.910 1.00 0.00 O ATOM 909 CB ASP A 97 21.919 8.741 2.549 1.00 0.00 C ATOM 910 CG ASP A 97 23.028 8.843 3.592 1.00 0.00 C ATOM 911 OD1 ASP A 97 23.517 9.940 3.803 1.00 0.00 O ATOM 912 OD2 ASP A 97 23.372 7.821 4.162 1.00 0.00 O ATOM 0 H ASP A 97 19.877 9.104 1.211 1.00 0.00 H new ATOM 0 HA ASP A 97 21.237 10.718 3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 97 21.084 8.165 2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 97 22.283 8.208 1.671 1.00 0.00 H new ATOM 917 N LYS A 98 22.375 10.845 0.030 1.00 0.00 N ATOM 918 CA LYS A 98 23.353 11.477 -0.850 1.00 0.00 C ATOM 919 C LYS A 98 23.481 12.960 -0.519 1.00 0.00 C ATOM 920 O LYS A 98 24.578 13.519 -0.547 1.00 0.00 O ATOM 921 CB LYS A 98 22.920 11.317 -2.312 1.00 0.00 C ATOM 922 CG LYS A 98 23.057 9.851 -2.747 1.00 0.00 C ATOM 923 CD LYS A 98 24.491 9.567 -3.211 1.00 0.00 C ATOM 924 CE LYS A 98 24.578 8.133 -3.737 1.00 0.00 C ATOM 925 NZ LYS A 98 24.358 7.178 -2.615 1.00 0.00 N ATOM 0 H LYS A 98 21.582 10.421 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 98 24.318 10.993 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 98 21.887 11.644 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 98 23.532 11.953 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 98 22.798 9.193 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 98 22.357 9.637 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 98 24.779 10.271 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 98 25.187 9.706 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 98 23.832 7.974 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 98 25.554 7.959 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 24.678 6.230 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 24.896 7.491 -1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 23.345 7.145 -2.380 1.00 0.00 H new ATOM 939 N ASN A 99 22.359 13.591 -0.192 1.00 0.00 N ATOM 940 CA ASN A 99 22.372 15.005 0.158 1.00 0.00 C ATOM 941 C ASN A 99 23.233 15.224 1.398 1.00 0.00 C ATOM 942 O ASN A 99 23.897 16.252 1.535 1.00 0.00 O ATOM 943 CB ASN A 99 20.947 15.494 0.428 1.00 0.00 C ATOM 944 CG ASN A 99 20.923 17.016 0.499 1.00 0.00 C ATOM 945 OD1 ASN A 99 21.663 17.685 -0.223 1.00 0.00 O ATOM 946 ND2 ASN A 99 20.111 17.609 1.332 1.00 0.00 N ATOM 0 H ASN A 99 21.439 13.151 -0.162 1.00 0.00 H new ATOM 0 HA ASN A 99 22.790 15.570 -0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 99 20.279 15.148 -0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 99 20.580 15.072 1.364 1.00 0.00 H new ATOM 0 HD21 ASN A 99 20.089 18.627 1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 99 19.498 17.054 1.930 1.00 0.00 H new ATOM 953 N GLY A 100 23.219 14.242 2.294 1.00 0.00 N ATOM 954 CA GLY A 100 24.005 14.322 3.520 1.00 0.00 C ATOM 955 C GLY A 100 25.420 13.800 3.289 1.00 0.00 C ATOM 956 O GLY A 100 26.257 13.825 4.192 1.00 0.00 O ATOM 0 H GLY A 100 22.675 13.385 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 100 24.045 15.355 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 100 23.522 13.742 4.306 1.00 0.00 H new ATOM 960 N GLY A 101 25.677 13.331 2.072 1.00 0.00 N ATOM 961 CA GLY A 101 26.994 12.805 1.723 1.00 0.00 C ATOM 962 C GLY A 101 27.885 13.908 1.164 1.00 0.00 C ATOM 963 O GLY A 101 29.006 13.654 0.723 1.00 0.00 O ATOM 0 H GLY A 101 24.995 13.304 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.461 12.366 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 101 26.889 12.008 0.987 1.00 0.00 H new ATOM 967 N ALA A 102 27.379 15.136 1.196 1.00 0.00 N ATOM 968 CA ALA A 102 28.138 16.278 0.700 1.00 0.00 C ATOM 969 C ALA A 102 29.411 16.467 1.518 1.00 0.00 C ATOM 970 O ALA A 102 30.467 16.800 0.979 1.00 0.00 O ATOM 971 CB ALA A 102 27.283 17.546 0.778 1.00 0.00 C ATOM 0 H ALA A 102 26.453 15.365 1.557 1.00 0.00 H new ATOM 0 HA ALA A 102 28.411 16.089 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 102 27.856 18.395 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 102 26.387 17.419 0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 102 26.996 17.728 1.814 1.00 0.00 H new ATOM 977 N ASN A 103 29.296 16.272 2.828 1.00 0.00 N ATOM 978 CA ASN A 103 30.439 16.446 3.718 1.00 0.00 C ATOM 979 C ASN A 103 31.674 15.737 3.165 1.00 0.00 C ATOM 980 O ASN A 103 32.634 16.390 2.757 1.00 0.00 O ATOM 981 CB ASN A 103 30.106 15.895 5.106 1.00 0.00 C ATOM 982 CG ASN A 103 29.113 16.817 5.806 1.00 0.00 C ATOM 983 OD1 ASN A 103 28.980 17.984 5.437 1.00 0.00 O ATOM 984 ND2 ASN A 103 28.403 16.361 6.803 1.00 0.00 N ATOM 0 H ASN A 103 28.431 15.996 3.294 1.00 0.00 H new ATOM 0 HA ASN A 103 30.657 17.512 3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 103 29.686 14.893 5.018 1.00 0.00 H new ATOM 0 HB3 ASN A 103 31.016 15.808 5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 103 27.738 16.972 7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 103 28.514 15.394 7.108 1.00 0.00 H new ATOM 991 N ARG A 104 31.656 14.405 3.151 1.00 0.00 N ATOM 992 CA ARG A 104 32.799 13.652 2.641 1.00 0.00 C ATOM 993 C ARG A 104 34.086 14.116 3.324 1.00 0.00 C ATOM 994 O ARG A 104 34.918 14.790 2.718 1.00 0.00 O ATOM 995 CB ARG A 104 32.910 13.839 1.123 1.00 0.00 C ATOM 996 CG ARG A 104 32.189 12.693 0.401 1.00 0.00 C ATOM 997 CD ARG A 104 32.957 11.376 0.583 1.00 0.00 C ATOM 998 NE ARG A 104 32.234 10.489 1.485 1.00 0.00 N ATOM 999 CZ ARG A 104 32.745 9.317 1.849 1.00 0.00 C ATOM 1000 NH1 ARG A 104 32.075 8.533 2.649 1.00 0.00 N ATOM 1001 NH2 ARG A 104 33.916 8.951 1.406 1.00 0.00 N ATOM 0 H ARG A 104 30.878 13.834 3.481 1.00 0.00 H new ATOM 0 HA ARG A 104 32.651 12.594 2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 104 32.474 14.795 0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 104 33.959 13.864 0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 104 31.177 12.588 0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 104 32.098 12.924 -0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 104 33.094 10.890 -0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 104 33.951 11.579 0.981 1.00 0.00 H new ATOM 0 HE ARG A 104 31.322 10.772 1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 104 31.159 8.820 2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 104 32.467 7.634 2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 104 34.439 9.564 0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 104 34.309 8.052 1.685 1.00 0.00 H new ATOM 1015 N LYS A 105 34.236 13.760 4.597 1.00 0.00 N ATOM 1016 CA LYS A 105 35.416 14.152 5.357 1.00 0.00 C ATOM 1017 C LYS A 105 36.517 13.101 5.240 1.00 0.00 C ATOM 1018 O LYS A 105 37.621 13.304 5.746 1.00 0.00 O ATOM 1019 CB LYS A 105 35.041 14.334 6.828 1.00 0.00 C ATOM 1020 CG LYS A 105 34.018 15.467 6.953 1.00 0.00 C ATOM 1021 CD LYS A 105 33.438 15.505 8.373 1.00 0.00 C ATOM 1022 CE LYS A 105 34.501 15.981 9.365 1.00 0.00 C ATOM 1023 NZ LYS A 105 33.863 16.243 10.685 1.00 0.00 N ATOM 0 H LYS A 105 33.559 13.204 5.120 1.00 0.00 H new ATOM 0 HA LYS A 105 35.790 15.091 4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 105 34.626 13.408 7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 105 35.929 14.564 7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 105 34.491 16.421 6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 105 33.216 15.324 6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 105 32.576 16.172 8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 105 33.084 14.514 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 105 35.281 15.227 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 105 34.981 16.887 8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 34.584 16.567 11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 33.134 16.977 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 33.425 15.369 11.039 1.00 0.00 H new ATOM 1037 N VAL A 106 36.208 11.985 4.574 1.00 0.00 N ATOM 1038 CA VAL A 106 37.171 10.896 4.388 1.00 0.00 C ATOM 1039 C VAL A 106 38.145 10.798 5.559 1.00 0.00 C ATOM 1040 O VAL A 106 39.336 11.069 5.411 1.00 0.00 O ATOM 1041 CB VAL A 106 37.953 11.092 3.087 1.00 0.00 C ATOM 1042 CG1 VAL A 106 37.144 10.525 1.918 1.00 0.00 C ATOM 1043 CG2 VAL A 106 38.207 12.584 2.854 1.00 0.00 C ATOM 0 H VAL A 106 35.295 11.812 4.153 1.00 0.00 H new ATOM 0 HA VAL A 106 36.604 9.966 4.337 1.00 0.00 H new ATOM 0 HB VAL A 106 38.908 10.572 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 106 37.699 10.664 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 106 36.967 9.462 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 106 36.189 11.045 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 106 38.764 12.718 1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 106 37.254 13.109 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 106 38.784 12.989 3.685 1.00 0.00 H new ATOM 1053 N ASN A 107 37.632 10.403 6.720 1.00 0.00 N ATOM 1054 CA ASN A 107 38.471 10.265 7.905 1.00 0.00 C ATOM 1055 C ASN A 107 39.137 8.893 7.930 1.00 0.00 C ATOM 1056 O ASN A 107 38.929 8.078 7.031 1.00 0.00 O ATOM 1057 CB ASN A 107 37.628 10.454 9.169 1.00 0.00 C ATOM 1058 CG ASN A 107 36.619 9.318 9.305 1.00 0.00 C ATOM 1059 OD1 ASN A 107 36.655 8.356 8.537 1.00 0.00 O ATOM 1060 ND2 ASN A 107 35.717 9.370 10.245 1.00 0.00 N ATOM 0 H ASN A 107 36.649 10.175 6.865 1.00 0.00 H new ATOM 0 HA ASN A 107 39.246 11.031 7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 107 38.275 10.482 10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 107 37.106 11.410 9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 107 35.040 8.613 10.345 1.00 0.00 H new ATOM 0 HD22 ASN A 107 35.688 10.167 10.881 1.00 0.00 H new ATOM 1067 N ASP A 108 39.935 8.641 8.963 1.00 0.00 N ATOM 1068 CA ASP A 108 40.620 7.360 9.087 1.00 0.00 C ATOM 1069 C ASP A 108 39.799 6.392 9.932 1.00 0.00 C ATOM 1070 O ASP A 108 40.196 6.133 11.056 1.00 0.00 O ATOM 1071 CB ASP A 108 41.993 7.563 9.730 1.00 0.00 C ATOM 1072 CG ASP A 108 42.722 6.227 9.838 1.00 0.00 C ATOM 1073 OD1 ASP A 108 42.115 5.217 9.522 1.00 0.00 O ATOM 1074 OD2 ASP A 108 43.876 6.235 10.233 1.00 0.00 O ATOM 0 H ASP A 108 40.122 9.300 9.719 1.00 0.00 H new ATOM 0 HA ASP A 108 40.744 6.938 8.090 1.00 0.00 H new ATOM 0 HB2 ASP A 108 42.582 8.261 9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 108 41.878 8.005 10.720 1.00 0.00 H new TER 1079 ASP A 108