USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=11 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 22:sc= 0.409 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0266 K(o=-0.027,f=-1.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc=-0.00776 K(o=-0.0078,f=-0.82) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc=-0.00143 USER MOD Single : A 61 GLN : amide:sc= -0.172 K(o=-0.17,f=-2.3!) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.339 USER MOD Single : A 66 SER OG : rot -33:sc= 0.659 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.0321 (180deg=-0.306) USER MOD Single : A 79 GLN : amide:sc= -5.98! K(o=-6!,f=-1) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 90 LYS NZ :NH3+ 151:sc= -0.149 (180deg=-0.94) 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= -0.0509 K(o=-0.051,f=-1.1) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -6.02! C(o=-6!,f=-5.6!) USER MOD Single : A 103 ASN : amide:sc= -4.86! C(o=-4.9!,f=-5.1!) USER MOD Single : A 105 LYS NZ :NH3+ -166:sc=-0.00402 (180deg=-0.23) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 40 -56.071 -11.032 10.910 1.00 0.00 N ATOM 2 CA THR A 40 -56.703 -9.975 10.073 1.00 0.00 C ATOM 3 C THR A 40 -55.867 -8.703 10.145 1.00 0.00 C ATOM 4 O THR A 40 -56.407 -7.596 10.171 1.00 0.00 O ATOM 5 CB THR A 40 -58.118 -9.697 10.587 1.00 0.00 C ATOM 6 OG1 THR A 40 -58.760 -10.927 10.892 1.00 0.00 O ATOM 7 CG2 THR A 40 -58.915 -8.953 9.515 1.00 0.00 C ATOM 0 HA THR A 40 -56.756 -10.311 9.037 1.00 0.00 H new ATOM 0 HB THR A 40 -58.065 -9.083 11.486 1.00 0.00 H new ATOM 0 HG1 THR A 40 -58.084 -11.620 11.043 1.00 0.00 H new ATOM 0 HG21 THR A 40 -59.922 -8.756 9.882 1.00 0.00 H new ATOM 0 HG22 THR A 40 -58.421 -8.009 9.284 1.00 0.00 H new ATOM 0 HG23 THR A 40 -58.970 -9.563 8.614 1.00 0.00 H new ATOM 14 N LYS A 41 -54.549 -8.865 10.175 1.00 0.00 N ATOM 15 CA LYS A 41 -53.649 -7.719 10.241 1.00 0.00 C ATOM 16 C LYS A 41 -52.312 -8.065 9.593 1.00 0.00 C ATOM 17 O LYS A 41 -51.764 -9.142 9.822 1.00 0.00 O ATOM 18 CB LYS A 41 -53.432 -7.311 11.700 1.00 0.00 C ATOM 19 CG LYS A 41 -52.548 -6.062 11.764 1.00 0.00 C ATOM 20 CD LYS A 41 -52.373 -5.636 13.222 1.00 0.00 C ATOM 21 CE LYS A 41 -51.490 -4.388 13.289 1.00 0.00 C ATOM 22 NZ LYS A 41 -51.334 -3.968 14.711 1.00 0.00 N ATOM 0 H LYS A 41 -54.082 -9.772 10.155 1.00 0.00 H new ATOM 0 HA LYS A 41 -54.097 -6.885 9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -54.391 -7.114 12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -52.964 -8.128 12.250 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -51.576 -6.268 11.315 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -53.000 -5.254 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -53.345 -5.431 13.671 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -51.921 -6.445 13.796 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -50.514 -4.596 12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -51.936 -3.582 12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -50.734 -3.120 14.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -52.268 -3.754 15.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -50.890 -4.737 15.253 1.00 0.00 H new ATOM 36 N GLN A 42 -51.791 -7.148 8.783 1.00 0.00 N ATOM 37 CA GLN A 42 -50.517 -7.380 8.113 1.00 0.00 C ATOM 38 C GLN A 42 -49.371 -6.760 8.905 1.00 0.00 C ATOM 39 O GLN A 42 -49.122 -5.557 8.820 1.00 0.00 O ATOM 40 CB GLN A 42 -50.550 -6.782 6.704 1.00 0.00 C ATOM 41 CG GLN A 42 -51.497 -7.599 5.825 1.00 0.00 C ATOM 42 CD GLN A 42 -51.702 -6.897 4.487 1.00 0.00 C ATOM 43 OE1 GLN A 42 -51.621 -5.671 4.410 1.00 0.00 O ATOM 44 NE2 GLN A 42 -51.965 -7.604 3.423 1.00 0.00 N ATOM 0 H GLN A 42 -52.225 -6.248 8.577 1.00 0.00 H new ATOM 0 HA GLN A 42 -50.355 -8.456 8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -50.880 -5.744 6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -49.548 -6.781 6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -51.087 -8.596 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -52.455 -7.726 6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -52.032 -8.620 3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -52.104 -7.141 2.525 1.00 0.00 H new ATOM 53 N LYS A 43 -48.679 -7.593 9.677 1.00 0.00 N ATOM 54 CA LYS A 43 -47.561 -7.123 10.487 1.00 0.00 C ATOM 55 C LYS A 43 -46.233 -7.541 9.862 1.00 0.00 C ATOM 56 O LYS A 43 -46.005 -8.721 9.597 1.00 0.00 O ATOM 57 CB LYS A 43 -47.667 -7.699 11.902 1.00 0.00 C ATOM 58 CG LYS A 43 -46.606 -7.055 12.805 1.00 0.00 C ATOM 59 CD LYS A 43 -46.608 -7.719 14.190 1.00 0.00 C ATOM 60 CE LYS A 43 -47.829 -7.267 15.000 1.00 0.00 C ATOM 61 NZ LYS A 43 -47.703 -7.764 16.399 1.00 0.00 N ATOM 0 H LYS A 43 -48.872 -8.591 9.758 1.00 0.00 H new ATOM 0 HA LYS A 43 -47.599 -6.035 10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -48.662 -7.515 12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -47.529 -8.780 11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -45.621 -7.155 12.348 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -46.804 -5.988 12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -46.618 -8.803 14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -45.694 -7.461 14.725 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -47.902 -6.179 14.993 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -48.743 -7.651 14.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -48.530 -7.459 16.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -47.653 -8.803 16.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -46.838 -7.377 16.828 1.00 0.00 H new ATOM 75 N GLU A 44 -45.359 -6.566 9.634 1.00 0.00 N ATOM 76 CA GLU A 44 -44.055 -6.848 9.045 1.00 0.00 C ATOM 77 C GLU A 44 -43.021 -7.077 10.143 1.00 0.00 C ATOM 78 O GLU A 44 -42.499 -6.126 10.724 1.00 0.00 O ATOM 79 CB GLU A 44 -43.614 -5.679 8.162 1.00 0.00 C ATOM 80 CG GLU A 44 -44.493 -5.622 6.912 1.00 0.00 C ATOM 81 CD GLU A 44 -44.180 -4.362 6.111 1.00 0.00 C ATOM 82 OE1 GLU A 44 -43.497 -3.501 6.643 1.00 0.00 O ATOM 83 OE2 GLU A 44 -44.626 -4.276 4.979 1.00 0.00 O ATOM 0 H GLU A 44 -45.527 -5.583 9.846 1.00 0.00 H new ATOM 0 HA GLU A 44 -44.135 -7.748 8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -43.690 -4.743 8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -42.568 -5.798 7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -44.322 -6.506 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -45.545 -5.630 7.197 1.00 0.00 H new ATOM 90 N ALA A 45 -42.729 -8.344 10.418 1.00 0.00 N ATOM 91 CA ALA A 45 -41.753 -8.684 11.447 1.00 0.00 C ATOM 92 C ALA A 45 -40.374 -8.148 11.076 1.00 0.00 C ATOM 93 O ALA A 45 -39.646 -7.637 11.927 1.00 0.00 O ATOM 94 CB ALA A 45 -41.683 -10.202 11.618 1.00 0.00 C ATOM 0 H ALA A 45 -43.150 -9.145 9.948 1.00 0.00 H new ATOM 0 HA ALA A 45 -42.068 -8.227 12.385 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -40.952 -10.448 12.388 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -42.662 -10.580 11.913 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -41.385 -10.661 10.675 1.00 0.00 H new ATOM 100 N VAL A 46 -40.023 -8.275 9.800 1.00 0.00 N ATOM 101 CA VAL A 46 -38.730 -7.808 9.320 1.00 0.00 C ATOM 102 C VAL A 46 -38.886 -7.024 8.022 1.00 0.00 C ATOM 103 O VAL A 46 -39.882 -7.166 7.314 1.00 0.00 O ATOM 104 CB VAL A 46 -37.809 -9.004 9.085 1.00 0.00 C ATOM 105 CG1 VAL A 46 -37.586 -9.746 10.405 1.00 0.00 C ATOM 106 CG2 VAL A 46 -38.455 -9.953 8.071 1.00 0.00 C ATOM 0 H VAL A 46 -40.614 -8.696 9.083 1.00 0.00 H new ATOM 0 HA VAL A 46 -38.298 -7.150 10.074 1.00 0.00 H new ATOM 0 HB VAL A 46 -36.852 -8.654 8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -36.929 -10.599 10.236 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -37.127 -9.072 11.128 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -38.543 -10.096 10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -37.799 -10.807 7.902 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -39.412 -10.302 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -38.614 -9.426 7.130 1.00 0.00 H new ATOM 116 N ASN A 47 -37.888 -6.203 7.712 1.00 0.00 N ATOM 117 CA ASN A 47 -37.914 -5.407 6.492 1.00 0.00 C ATOM 118 C ASN A 47 -37.514 -6.265 5.295 1.00 0.00 C ATOM 119 O ASN A 47 -36.810 -7.262 5.446 1.00 0.00 O ATOM 120 CB ASN A 47 -36.956 -4.221 6.619 1.00 0.00 C ATOM 121 CG ASN A 47 -37.422 -3.293 7.736 1.00 0.00 C ATOM 122 OD1 ASN A 47 -38.621 -3.069 7.897 1.00 0.00 O ATOM 123 ND2 ASN A 47 -36.540 -2.739 8.521 1.00 0.00 N ATOM 0 H ASN A 47 -37.055 -6.072 8.286 1.00 0.00 H new ATOM 0 HA ASN A 47 -38.927 -5.034 6.340 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -35.948 -4.578 6.828 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -36.912 -3.676 5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -36.844 -2.118 9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -35.547 -2.927 8.385 1.00 0.00 H new ATOM 130 N ASP A 48 -37.963 -5.872 4.107 1.00 0.00 N ATOM 131 CA ASP A 48 -37.635 -6.620 2.898 1.00 0.00 C ATOM 132 C ASP A 48 -37.411 -5.675 1.722 1.00 0.00 C ATOM 133 O ASP A 48 -36.302 -5.574 1.196 1.00 0.00 O ATOM 134 CB ASP A 48 -38.766 -7.595 2.561 1.00 0.00 C ATOM 135 CG ASP A 48 -40.107 -6.868 2.559 1.00 0.00 C ATOM 136 OD1 ASP A 48 -40.239 -5.905 3.296 1.00 0.00 O ATOM 137 OD2 ASP A 48 -40.981 -7.282 1.818 1.00 0.00 O ATOM 0 H ASP A 48 -38.548 -5.050 3.956 1.00 0.00 H new ATOM 0 HA ASP A 48 -36.716 -7.177 3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -38.588 -8.046 1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -38.785 -8.406 3.289 1.00 0.00 H new ATOM 142 N LYS A 49 -38.472 -4.987 1.311 1.00 0.00 N ATOM 143 CA LYS A 49 -38.380 -4.057 0.192 1.00 0.00 C ATOM 144 C LYS A 49 -37.415 -2.918 0.510 1.00 0.00 C ATOM 145 O LYS A 49 -36.637 -2.498 -0.347 1.00 0.00 O ATOM 146 CB LYS A 49 -39.764 -3.486 -0.127 1.00 0.00 C ATOM 147 CG LYS A 49 -40.641 -4.588 -0.726 1.00 0.00 C ATOM 148 CD LYS A 49 -42.027 -4.025 -1.046 1.00 0.00 C ATOM 149 CE LYS A 49 -42.897 -5.128 -1.651 1.00 0.00 C ATOM 150 NZ LYS A 49 -44.250 -4.584 -1.955 1.00 0.00 N ATOM 0 H LYS A 49 -39.398 -5.055 1.733 1.00 0.00 H new ATOM 0 HA LYS A 49 -38.002 -4.600 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -40.224 -3.091 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -39.675 -2.656 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -40.180 -4.982 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -40.728 -5.419 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -42.492 -3.636 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -41.941 -3.191 -1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -42.435 -5.512 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -42.977 -5.964 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -44.841 -5.334 -2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -44.690 -4.238 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -44.165 -3.800 -2.633 1.00 0.00 H new ATOM 164 N GLY A 50 -37.459 -2.432 1.746 1.00 0.00 N ATOM 165 CA GLY A 50 -36.568 -1.354 2.161 1.00 0.00 C ATOM 166 C GLY A 50 -36.881 -0.060 1.417 1.00 0.00 C ATOM 167 O GLY A 50 -36.010 0.793 1.250 1.00 0.00 O ATOM 0 H GLY A 50 -38.095 -2.763 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -36.665 -1.192 3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -35.533 -1.642 1.975 1.00 0.00 H new ATOM 171 N LYS A 51 -38.121 0.078 0.962 1.00 0.00 N ATOM 172 CA LYS A 51 -38.519 1.274 0.227 1.00 0.00 C ATOM 173 C LYS A 51 -38.390 2.526 1.094 1.00 0.00 C ATOM 174 O LYS A 51 -38.158 3.622 0.582 1.00 0.00 O ATOM 175 CB LYS A 51 -39.963 1.124 -0.267 1.00 0.00 C ATOM 176 CG LYS A 51 -40.922 1.040 0.925 1.00 0.00 C ATOM 177 CD LYS A 51 -42.351 0.848 0.412 1.00 0.00 C ATOM 178 CE LYS A 51 -43.313 0.762 1.598 1.00 0.00 C ATOM 179 NZ LYS A 51 -44.705 0.577 1.096 1.00 0.00 N ATOM 0 H LYS A 51 -38.860 -0.614 1.086 1.00 0.00 H new ATOM 0 HA LYS A 51 -37.852 1.386 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -40.229 1.971 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -40.054 0.228 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -40.642 0.210 1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -40.857 1.949 1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -42.630 1.678 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -42.414 -0.060 -0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -43.035 -0.069 2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -43.249 1.669 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -45.360 0.518 1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -44.967 1.384 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -44.760 -0.301 0.541 1.00 0.00 H new ATOM 193 N ALA A 52 -38.546 2.360 2.402 1.00 0.00 N ATOM 194 CA ALA A 52 -38.449 3.491 3.320 1.00 0.00 C ATOM 195 C ALA A 52 -37.054 4.114 3.284 1.00 0.00 C ATOM 196 O ALA A 52 -36.912 5.337 3.301 1.00 0.00 O ATOM 197 CB ALA A 52 -38.764 3.033 4.745 1.00 0.00 C ATOM 0 H ALA A 52 -38.738 1.463 2.849 1.00 0.00 H new ATOM 0 HA ALA A 52 -39.172 4.243 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -38.690 3.882 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -39.775 2.626 4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -38.052 2.264 5.046 1.00 0.00 H new ATOM 203 N ALA A 53 -36.031 3.264 3.244 1.00 0.00 N ATOM 204 CA ALA A 53 -34.646 3.736 3.213 1.00 0.00 C ATOM 205 C ALA A 53 -34.001 3.447 1.862 1.00 0.00 C ATOM 206 O ALA A 53 -34.397 2.514 1.165 1.00 0.00 O ATOM 207 CB ALA A 53 -33.840 3.050 4.316 1.00 0.00 C ATOM 0 H ALA A 53 -36.132 2.249 3.232 1.00 0.00 H new ATOM 0 HA ALA A 53 -34.650 4.814 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -32.810 3.405 4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -34.278 3.284 5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -33.856 1.971 4.161 1.00 0.00 H new ATOM 213 N VAL A 54 -33.001 4.246 1.499 1.00 0.00 N ATOM 214 CA VAL A 54 -32.315 4.042 0.230 1.00 0.00 C ATOM 215 C VAL A 54 -31.085 3.163 0.426 1.00 0.00 C ATOM 216 O VAL A 54 -30.171 3.506 1.177 1.00 0.00 O ATOM 217 CB VAL A 54 -31.891 5.382 -0.373 1.00 0.00 C ATOM 218 CG1 VAL A 54 -31.142 5.133 -1.683 1.00 0.00 C ATOM 219 CG2 VAL A 54 -33.134 6.230 -0.654 1.00 0.00 C ATOM 0 H VAL A 54 -32.653 5.027 2.055 1.00 0.00 H new ATOM 0 HA VAL A 54 -33.006 3.547 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 54 -31.241 5.908 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -30.838 6.086 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -30.258 4.526 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -31.795 4.609 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -32.833 7.185 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -33.782 5.705 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -33.673 6.405 0.277 1.00 0.00 H new ATOM 229 N VAL A 55 -31.081 2.025 -0.254 1.00 0.00 N ATOM 230 CA VAL A 55 -29.976 1.080 -0.164 1.00 0.00 C ATOM 231 C VAL A 55 -28.817 1.527 -1.058 1.00 0.00 C ATOM 232 O VAL A 55 -27.666 1.172 -0.823 1.00 0.00 O ATOM 233 CB VAL A 55 -30.464 -0.311 -0.594 1.00 0.00 C ATOM 234 CG1 VAL A 55 -29.375 -1.360 -0.345 1.00 0.00 C ATOM 235 CG2 VAL A 55 -31.715 -0.681 0.209 1.00 0.00 C ATOM 0 H VAL A 55 -31.834 1.733 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 55 -29.621 1.041 0.866 1.00 0.00 H new ATOM 0 HB VAL A 55 -30.697 -0.289 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -29.737 -2.340 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -28.485 -1.103 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -29.128 -1.383 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -32.063 -1.668 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -31.475 -0.692 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -32.498 0.054 0.022 1.00 0.00 H new ATOM 245 N LYS A 56 -29.138 2.287 -2.099 1.00 0.00 N ATOM 246 CA LYS A 56 -28.125 2.753 -3.049 1.00 0.00 C ATOM 247 C LYS A 56 -27.045 3.604 -2.383 1.00 0.00 C ATOM 248 O LYS A 56 -25.871 3.513 -2.743 1.00 0.00 O ATOM 249 CB LYS A 56 -28.787 3.594 -4.144 1.00 0.00 C ATOM 250 CG LYS A 56 -29.613 2.696 -5.071 1.00 0.00 C ATOM 251 CD LYS A 56 -30.480 3.553 -6.007 1.00 0.00 C ATOM 252 CE LYS A 56 -29.602 4.311 -7.013 1.00 0.00 C ATOM 253 NZ LYS A 56 -30.471 4.974 -8.025 1.00 0.00 N ATOM 0 H LYS A 56 -30.087 2.595 -2.309 1.00 0.00 H new ATOM 0 HA LYS A 56 -27.654 1.863 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -29.428 4.352 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -28.026 4.121 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -28.951 2.060 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -30.247 2.036 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -31.187 2.917 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -31.066 4.261 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -28.995 5.054 -6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -28.914 3.623 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -29.879 5.488 -8.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -31.032 4.255 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -31.110 5.642 -7.549 1.00 0.00 H new ATOM 267 N VAL A 57 -27.439 4.458 -1.448 1.00 0.00 N ATOM 268 CA VAL A 57 -26.478 5.344 -0.794 1.00 0.00 C ATOM 269 C VAL A 57 -25.382 4.577 -0.052 1.00 0.00 C ATOM 270 O VAL A 57 -24.226 4.998 -0.060 1.00 0.00 O ATOM 271 CB VAL A 57 -27.199 6.263 0.193 1.00 0.00 C ATOM 272 CG1 VAL A 57 -28.210 7.133 -0.558 1.00 0.00 C ATOM 273 CG2 VAL A 57 -27.927 5.415 1.237 1.00 0.00 C ATOM 0 H VAL A 57 -28.402 4.558 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 57 -26.002 5.928 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 57 -26.471 6.905 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -28.722 7.787 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -27.689 7.738 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -28.939 6.495 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -28.442 6.068 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -28.654 4.772 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -27.205 4.800 1.774 1.00 0.00 H new ATOM 283 N VAL A 58 -25.730 3.473 0.604 1.00 0.00 N ATOM 284 CA VAL A 58 -24.724 2.717 1.349 1.00 0.00 C ATOM 285 C VAL A 58 -23.880 1.833 0.429 1.00 0.00 C ATOM 286 O VAL A 58 -22.722 1.547 0.731 1.00 0.00 O ATOM 287 CB VAL A 58 -25.380 1.871 2.451 1.00 0.00 C ATOM 288 CG1 VAL A 58 -25.851 0.527 1.891 1.00 0.00 C ATOM 289 CG2 VAL A 58 -24.361 1.627 3.567 1.00 0.00 C ATOM 0 H VAL A 58 -26.674 3.089 0.637 1.00 0.00 H new ATOM 0 HA VAL A 58 -24.057 3.442 1.815 1.00 0.00 H new ATOM 0 HB VAL A 58 -26.245 2.408 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -26.313 -0.057 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -26.579 0.698 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -24.998 -0.019 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -24.819 1.027 4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -23.498 1.098 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -24.039 2.583 3.981 1.00 0.00 H new ATOM 299 N GLU A 59 -24.462 1.386 -0.682 1.00 0.00 N ATOM 300 CA GLU A 59 -23.732 0.519 -1.607 1.00 0.00 C ATOM 301 C GLU A 59 -22.486 1.207 -2.160 1.00 0.00 C ATOM 302 O GLU A 59 -21.418 0.597 -2.222 1.00 0.00 O ATOM 303 CB GLU A 59 -24.637 0.096 -2.765 1.00 0.00 C ATOM 304 CG GLU A 59 -25.672 -0.911 -2.263 1.00 0.00 C ATOM 305 CD GLU A 59 -26.714 -1.174 -3.344 1.00 0.00 C ATOM 306 OE1 GLU A 59 -26.758 -0.410 -4.294 1.00 0.00 O ATOM 307 OE2 GLU A 59 -27.451 -2.136 -3.206 1.00 0.00 O ATOM 0 H GLU A 59 -25.419 1.604 -0.961 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.416 -0.362 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -25.137 0.968 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -24.041 -0.347 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -25.180 -1.843 -1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -26.157 -0.529 -1.365 1.00 0.00 H new ATOM 314 N SER A 60 -22.607 2.471 -2.550 1.00 0.00 N ATOM 315 CA SER A 60 -21.456 3.198 -3.077 1.00 0.00 C ATOM 316 C SER A 60 -20.416 3.395 -1.981 1.00 0.00 C ATOM 317 O SER A 60 -19.211 3.365 -2.233 1.00 0.00 O ATOM 318 CB SER A 60 -21.897 4.560 -3.617 1.00 0.00 C ATOM 319 OG SER A 60 -22.419 5.341 -2.549 1.00 0.00 O ATOM 0 H SER A 60 -23.474 3.007 -2.513 1.00 0.00 H new ATOM 0 HA SER A 60 -21.017 2.617 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 60 -21.053 5.072 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 60 -22.653 4.430 -4.391 1.00 0.00 H new ATOM 0 HG SER A 60 -22.701 6.215 -2.891 1.00 0.00 H new ATOM 325 N GLN A 61 -20.904 3.599 -0.763 1.00 0.00 N ATOM 326 CA GLN A 61 -20.034 3.807 0.388 1.00 0.00 C ATOM 327 C GLN A 61 -19.196 2.564 0.668 1.00 0.00 C ATOM 328 O GLN A 61 -18.029 2.665 1.048 1.00 0.00 O ATOM 329 CB GLN A 61 -20.879 4.142 1.617 1.00 0.00 C ATOM 330 CG GLN A 61 -21.500 5.529 1.442 1.00 0.00 C ATOM 331 CD GLN A 61 -22.491 5.802 2.569 1.00 0.00 C ATOM 332 OE1 GLN A 61 -22.823 4.900 3.336 1.00 0.00 O ATOM 333 NE2 GLN A 61 -22.994 6.998 2.707 1.00 0.00 N ATOM 0 H GLN A 61 -21.900 3.625 -0.547 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.361 4.635 0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.662 3.395 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.261 4.118 2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.719 6.289 1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.006 5.591 0.479 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.717 7.744 2.069 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.664 7.186 3.452 1.00 0.00 H new ATOM 342 N ALA A 62 -19.798 1.394 0.481 1.00 0.00 N ATOM 343 CA ALA A 62 -19.093 0.142 0.723 1.00 0.00 C ATOM 344 C ALA A 62 -17.880 0.024 -0.196 1.00 0.00 C ATOM 345 O ALA A 62 -16.809 -0.407 0.230 1.00 0.00 O ATOM 346 CB ALA A 62 -20.032 -1.043 0.487 1.00 0.00 C ATOM 0 H ALA A 62 -20.762 1.287 0.166 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.753 0.134 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -19.496 -1.974 0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -20.882 -0.974 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -20.388 -1.026 -0.543 1.00 0.00 H new ATOM 352 N GLU A 63 -18.050 0.416 -1.456 1.00 0.00 N ATOM 353 CA GLU A 63 -16.951 0.350 -2.414 1.00 0.00 C ATOM 354 C GLU A 63 -15.828 1.293 -1.993 1.00 0.00 C ATOM 355 O GLU A 63 -14.649 0.945 -2.067 1.00 0.00 O ATOM 356 CB GLU A 63 -17.448 0.736 -3.808 1.00 0.00 C ATOM 357 CG GLU A 63 -18.417 -0.333 -4.321 1.00 0.00 C ATOM 358 CD GLU A 63 -17.665 -1.629 -4.603 1.00 0.00 C ATOM 359 OE1 GLU A 63 -16.453 -1.571 -4.733 1.00 0.00 O ATOM 360 OE2 GLU A 63 -18.312 -2.660 -4.683 1.00 0.00 O ATOM 0 H GLU A 63 -18.926 0.778 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.570 -0.671 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -17.945 1.705 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.605 0.835 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -19.199 -0.510 -3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.909 0.016 -5.229 1.00 0.00 H new ATOM 367 N LEU A 64 -16.207 2.484 -1.539 1.00 0.00 N ATOM 368 CA LEU A 64 -15.233 3.470 -1.092 1.00 0.00 C ATOM 369 C LEU A 64 -14.504 2.954 0.143 1.00 0.00 C ATOM 370 O LEU A 64 -13.292 3.119 0.281 1.00 0.00 O ATOM 371 CB LEU A 64 -15.948 4.788 -0.769 1.00 0.00 C ATOM 372 CG LEU A 64 -14.938 5.849 -0.322 1.00 0.00 C ATOM 373 CD1 LEU A 64 -13.935 6.117 -1.447 1.00 0.00 C ATOM 374 CD2 LEU A 64 -15.685 7.143 0.006 1.00 0.00 C ATOM 0 H LEU A 64 -17.178 2.787 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.505 3.643 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -16.490 5.140 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -16.686 4.626 0.017 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.404 5.493 0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.219 6.872 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.406 5.196 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.465 6.474 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.972 7.904 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -16.215 7.492 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -16.400 6.957 0.807 1.00 0.00 H new ATOM 386 N TYR A 65 -15.265 2.333 1.037 1.00 0.00 N ATOM 387 CA TYR A 65 -14.710 1.791 2.270 1.00 0.00 C ATOM 388 C TYR A 65 -13.628 0.756 1.971 1.00 0.00 C ATOM 389 O TYR A 65 -12.535 0.811 2.534 1.00 0.00 O ATOM 390 CB TYR A 65 -15.837 1.146 3.082 1.00 0.00 C ATOM 391 CG TYR A 65 -15.273 0.435 4.288 1.00 0.00 C ATOM 392 CD1 TYR A 65 -14.878 1.165 5.416 1.00 0.00 C ATOM 393 CD2 TYR A 65 -15.158 -0.960 4.283 1.00 0.00 C ATOM 394 CE1 TYR A 65 -14.368 0.500 6.536 1.00 0.00 C ATOM 395 CE2 TYR A 65 -14.645 -1.625 5.401 1.00 0.00 C ATOM 396 CZ TYR A 65 -14.251 -0.896 6.529 1.00 0.00 C ATOM 397 OH TYR A 65 -13.749 -1.552 7.634 1.00 0.00 O ATOM 0 H TYR A 65 -16.270 2.193 0.930 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.255 2.601 2.840 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.548 1.909 3.400 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -16.385 0.440 2.459 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.967 2.241 5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.466 -1.523 3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.064 1.063 7.406 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.553 -2.701 5.394 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.736 -2.517 7.464 1.00 0.00 H new ATOM 407 N SER A 66 -13.936 -0.185 1.085 1.00 0.00 N ATOM 408 CA SER A 66 -12.972 -1.220 0.728 1.00 0.00 C ATOM 409 C SER A 66 -11.770 -0.614 0.009 1.00 0.00 C ATOM 410 O SER A 66 -10.630 -1.024 0.231 1.00 0.00 O ATOM 411 CB SER A 66 -13.635 -2.259 -0.176 1.00 0.00 C ATOM 412 OG SER A 66 -14.044 -1.636 -1.386 1.00 0.00 O ATOM 0 H SER A 66 -14.834 -0.253 0.606 1.00 0.00 H new ATOM 0 HA SER A 66 -12.628 -1.699 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.939 -3.070 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.495 -2.701 0.328 1.00 0.00 H new ATOM 0 HG SER A 66 -14.307 -0.709 -1.204 1.00 0.00 H new ATOM 418 N LEU A 67 -12.033 0.364 -0.852 1.00 0.00 N ATOM 419 CA LEU A 67 -10.964 1.022 -1.598 1.00 0.00 C ATOM 420 C LEU A 67 -10.016 1.754 -0.653 1.00 0.00 C ATOM 421 O LEU A 67 -8.796 1.661 -0.784 1.00 0.00 O ATOM 422 CB LEU A 67 -11.567 2.013 -2.595 1.00 0.00 C ATOM 423 CG LEU A 67 -10.448 2.706 -3.374 1.00 0.00 C ATOM 424 CD1 LEU A 67 -10.816 2.756 -4.857 1.00 0.00 C ATOM 425 CD2 LEU A 67 -10.271 4.131 -2.846 1.00 0.00 C ATOM 0 H LEU A 67 -12.969 0.717 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.397 0.262 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.233 1.492 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.169 2.753 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.518 2.151 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.019 3.250 -5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.947 1.742 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.745 3.312 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.474 4.628 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.201 4.685 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.012 4.097 -1.788 1.00 0.00 H new ATOM 437 N GLU A 68 -10.590 2.483 0.297 1.00 0.00 N ATOM 438 CA GLU A 68 -9.798 3.234 1.265 1.00 0.00 C ATOM 439 C GLU A 68 -8.963 2.292 2.125 1.00 0.00 C ATOM 440 O GLU A 68 -7.805 2.577 2.434 1.00 0.00 O ATOM 441 CB GLU A 68 -10.724 4.067 2.157 1.00 0.00 C ATOM 442 CG GLU A 68 -9.890 4.914 3.124 1.00 0.00 C ATOM 443 CD GLU A 68 -10.807 5.794 3.967 1.00 0.00 C ATOM 444 OE1 GLU A 68 -12.009 5.713 3.780 1.00 0.00 O ATOM 445 OE2 GLU A 68 -10.292 6.535 4.788 1.00 0.00 O ATOM 0 H GLU A 68 -11.599 2.570 0.418 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.124 3.896 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.352 4.712 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.392 3.412 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.298 4.266 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.189 5.534 2.566 1.00 0.00 H new ATOM 452 N LYS A 69 -9.559 1.168 2.506 1.00 0.00 N ATOM 453 CA LYS A 69 -8.862 0.185 3.328 1.00 0.00 C ATOM 454 C LYS A 69 -7.799 -0.546 2.512 1.00 0.00 C ATOM 455 O LYS A 69 -6.851 -1.098 3.069 1.00 0.00 O ATOM 456 CB LYS A 69 -9.862 -0.821 3.912 1.00 0.00 C ATOM 457 CG LYS A 69 -10.786 -0.121 4.922 1.00 0.00 C ATOM 458 CD LYS A 69 -10.100 -0.016 6.292 1.00 0.00 C ATOM 459 CE LYS A 69 -11.076 0.581 7.307 1.00 0.00 C ATOM 460 NZ LYS A 69 -10.409 0.684 8.636 1.00 0.00 N ATOM 0 H LYS A 69 -10.516 0.915 2.261 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.368 0.710 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.454 -1.263 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.327 -1.636 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.043 0.874 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.719 -0.677 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.772 -1.001 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.209 0.608 6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.405 1.566 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.966 -0.043 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.072 1.090 9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.116 -0.263 8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.572 1.297 8.558 1.00 0.00 H new ATOM 474 N ASN A 70 -7.967 -0.553 1.193 1.00 0.00 N ATOM 475 CA ASN A 70 -7.008 -1.232 0.325 1.00 0.00 C ATOM 476 C ASN A 70 -6.938 -2.716 0.672 1.00 0.00 C ATOM 477 O ASN A 70 -5.886 -3.226 1.056 1.00 0.00 O ATOM 478 CB ASN A 70 -5.622 -0.602 0.477 1.00 0.00 C ATOM 479 CG ASN A 70 -4.725 -1.033 -0.680 1.00 0.00 C ATOM 480 OD1 ASN A 70 -5.196 -1.197 -1.805 1.00 0.00 O ATOM 481 ND2 ASN A 70 -3.451 -1.227 -0.470 1.00 0.00 N ATOM 0 H ASN A 70 -8.744 -0.105 0.707 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.339 -1.124 -0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.707 0.484 0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.178 -0.905 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.845 -1.515 -1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.061 -1.091 0.463 1.00 0.00 H new ATOM 488 N GLU A 71 -8.072 -3.396 0.547 1.00 0.00 N ATOM 489 CA GLU A 71 -8.148 -4.820 0.862 1.00 0.00 C ATOM 490 C GLU A 71 -7.179 -5.617 -0.007 1.00 0.00 C ATOM 491 O GLU A 71 -6.556 -6.570 0.461 1.00 0.00 O ATOM 492 CB GLU A 71 -9.572 -5.327 0.633 1.00 0.00 C ATOM 493 CG GLU A 71 -10.498 -4.750 1.705 1.00 0.00 C ATOM 494 CD GLU A 71 -11.948 -5.091 1.378 1.00 0.00 C ATOM 495 OE1 GLU A 71 -12.195 -5.531 0.267 1.00 0.00 O ATOM 496 OE2 GLU A 71 -12.790 -4.906 2.241 1.00 0.00 O ATOM 0 H GLU A 71 -8.951 -2.986 0.230 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.874 -4.956 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.919 -5.034 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.592 -6.416 0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.232 -5.153 2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.374 -3.669 1.761 1.00 0.00 H new ATOM 503 N ASP A 72 -7.048 -5.222 -1.268 1.00 0.00 N ATOM 504 CA ASP A 72 -6.140 -5.912 -2.176 1.00 0.00 C ATOM 505 C ASP A 72 -4.769 -6.059 -1.525 1.00 0.00 C ATOM 506 O ASP A 72 -4.329 -5.178 -0.786 1.00 0.00 O ATOM 507 CB ASP A 72 -6.009 -5.122 -3.481 1.00 0.00 C ATOM 508 CG ASP A 72 -5.204 -5.922 -4.500 1.00 0.00 C ATOM 509 OD1 ASP A 72 -4.656 -6.945 -4.123 1.00 0.00 O ATOM 510 OD2 ASP A 72 -5.147 -5.500 -5.643 1.00 0.00 O ATOM 0 H ASP A 72 -7.552 -4.437 -1.681 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.541 -6.902 -2.395 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.998 -4.900 -3.881 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.520 -4.167 -3.289 1.00 0.00 H new ATOM 515 N ALA A 73 -4.106 -7.184 -1.778 1.00 0.00 N ATOM 516 CA ALA A 73 -2.798 -7.427 -1.177 1.00 0.00 C ATOM 517 C ALA A 73 -1.898 -6.209 -1.347 1.00 0.00 C ATOM 518 O ALA A 73 -1.473 -5.880 -2.454 1.00 0.00 O ATOM 519 CB ALA A 73 -2.142 -8.643 -1.833 1.00 0.00 C ATOM 0 H ALA A 73 -4.445 -7.930 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.936 -7.618 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.166 -8.819 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.773 -9.520 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.018 -8.458 -2.900 1.00 0.00 H new ATOM 525 N SER A 74 -1.626 -5.542 -0.231 1.00 0.00 N ATOM 526 CA SER A 74 -0.786 -4.350 -0.233 1.00 0.00 C ATOM 527 C SER A 74 0.679 -4.706 0.000 1.00 0.00 C ATOM 528 O SER A 74 1.015 -5.852 0.295 1.00 0.00 O ATOM 529 CB SER A 74 -1.256 -3.381 0.852 1.00 0.00 C ATOM 530 OG SER A 74 -0.972 -3.933 2.130 1.00 0.00 O ATOM 0 H SER A 74 -1.976 -5.808 0.689 1.00 0.00 H new ATOM 0 HA SER A 74 -0.873 -3.878 -1.212 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.755 -2.420 0.739 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.326 -3.197 0.752 1.00 0.00 H new ATOM 0 HG SER A 74 -1.271 -3.313 2.828 1.00 0.00 H new ATOM 536 N LEU A 75 1.539 -3.698 -0.105 1.00 0.00 N ATOM 537 CA LEU A 75 2.968 -3.890 0.128 1.00 0.00 C ATOM 538 C LEU A 75 3.261 -3.840 1.621 1.00 0.00 C ATOM 539 O LEU A 75 4.251 -4.399 2.091 1.00 0.00 O ATOM 540 CB LEU A 75 3.767 -2.809 -0.599 1.00 0.00 C ATOM 541 CG LEU A 75 3.775 -3.108 -2.104 1.00 0.00 C ATOM 542 CD1 LEU A 75 4.186 -1.851 -2.872 1.00 0.00 C ATOM 543 CD2 LEU A 75 4.768 -4.234 -2.433 1.00 0.00 C ATOM 0 H LEU A 75 1.274 -2.744 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 75 3.262 -4.866 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.327 -1.829 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.788 -2.777 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 75 2.773 -3.421 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.192 -2.063 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.476 -1.050 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.183 -1.543 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.756 -4.428 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.771 -3.935 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.482 -5.139 -1.897 1.00 0.00 H new ATOM 555 N ARG A 76 2.388 -3.165 2.358 1.00 0.00 N ATOM 556 CA ARG A 76 2.556 -3.042 3.799 1.00 0.00 C ATOM 557 C ARG A 76 2.520 -4.421 4.448 1.00 0.00 C ATOM 558 O ARG A 76 3.299 -4.705 5.356 1.00 0.00 O ATOM 559 CB ARG A 76 1.448 -2.163 4.383 1.00 0.00 C ATOM 560 CG ARG A 76 1.654 -0.716 3.929 1.00 0.00 C ATOM 561 CD ARG A 76 0.466 0.137 4.379 1.00 0.00 C ATOM 562 NE ARG A 76 0.393 0.177 5.835 1.00 0.00 N ATOM 563 CZ ARG A 76 -0.647 0.725 6.455 1.00 0.00 C ATOM 564 NH1 ARG A 76 -0.694 0.747 7.759 1.00 0.00 N ATOM 565 NH2 ARG A 76 -1.621 1.245 5.759 1.00 0.00 N ATOM 0 H ARG A 76 1.562 -2.697 1.984 1.00 0.00 H new ATOM 0 HA ARG A 76 3.521 -2.578 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.473 -2.523 4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.460 -2.219 5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.579 -0.320 4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.754 -0.675 2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.566 1.148 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.459 -0.273 3.973 1.00 0.00 H new ATOM 0 HE ARG A 76 1.153 -0.222 6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.068 0.343 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.493 1.168 8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.584 1.231 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.419 1.666 6.234 1.00 0.00 H new ATOM 579 N LYS A 77 1.621 -5.279 3.973 1.00 0.00 N ATOM 580 CA LYS A 77 1.511 -6.629 4.513 1.00 0.00 C ATOM 581 C LYS A 77 2.605 -7.517 3.925 1.00 0.00 C ATOM 582 O LYS A 77 3.439 -8.062 4.647 1.00 0.00 O ATOM 583 CB LYS A 77 0.141 -7.199 4.160 1.00 0.00 C ATOM 584 CG LYS A 77 -0.940 -6.304 4.761 1.00 0.00 C ATOM 585 CD LYS A 77 -2.318 -6.823 4.357 1.00 0.00 C ATOM 586 CE LYS A 77 -3.387 -5.856 4.860 1.00 0.00 C ATOM 587 NZ LYS A 77 -3.397 -5.852 6.350 1.00 0.00 N ATOM 0 H LYS A 77 0.964 -5.066 3.222 1.00 0.00 H new ATOM 0 HA LYS A 77 1.628 -6.597 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.024 -7.255 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.045 -8.215 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.850 -6.288 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.811 -5.278 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.380 -6.920 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.483 -7.816 4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.189 -4.852 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.365 -6.150 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.279 -5.419 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.334 -6.829 6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.585 -5.305 6.701 1.00 0.00 H new ATOM 601 N LEU A 78 2.569 -7.669 2.603 1.00 0.00 N ATOM 602 CA LEU A 78 3.539 -8.510 1.903 1.00 0.00 C ATOM 603 C LEU A 78 4.924 -8.354 2.526 1.00 0.00 C ATOM 604 O LEU A 78 5.445 -9.294 3.128 1.00 0.00 O ATOM 605 CB LEU A 78 3.600 -8.127 0.424 1.00 0.00 C ATOM 606 CG LEU A 78 2.301 -8.550 -0.276 1.00 0.00 C ATOM 607 CD1 LEU A 78 2.281 -7.982 -1.695 1.00 0.00 C ATOM 608 CD2 LEU A 78 2.202 -10.081 -0.342 1.00 0.00 C ATOM 0 H LEU A 78 1.881 -7.223 1.996 1.00 0.00 H new ATOM 0 HA LEU A 78 3.221 -9.549 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.745 -7.051 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.454 -8.610 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 78 1.454 -8.165 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.359 -8.281 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.334 -6.894 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.136 -8.365 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.275 -10.365 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.051 -10.477 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.210 -10.490 0.668 1.00 0.00 H new ATOM 620 N GLN A 79 5.533 -7.183 2.366 1.00 0.00 N ATOM 621 CA GLN A 79 6.875 -6.956 2.907 1.00 0.00 C ATOM 622 C GLN A 79 6.910 -7.244 4.409 1.00 0.00 C ATOM 623 O GLN A 79 7.860 -7.848 4.908 1.00 0.00 O ATOM 624 CB GLN A 79 7.278 -5.500 2.655 1.00 0.00 C ATOM 625 CG GLN A 79 8.707 -5.254 3.146 1.00 0.00 C ATOM 626 CD GLN A 79 9.085 -3.796 2.915 1.00 0.00 C ATOM 627 OE1 GLN A 79 8.433 -2.894 3.442 1.00 0.00 O ATOM 628 NE2 GLN A 79 10.099 -3.507 2.148 1.00 0.00 N ATOM 0 H GLN A 79 5.129 -6.386 1.874 1.00 0.00 H new ATOM 0 HA GLN A 79 7.574 -7.629 2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.208 -5.275 1.591 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.589 -4.830 3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.785 -5.496 4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.401 -5.908 2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.638 -4.255 1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.353 -2.533 1.984 1.00 0.00 H new ATOM 637 N ALA A 80 5.881 -6.811 5.120 1.00 0.00 N ATOM 638 CA ALA A 80 5.823 -7.031 6.563 1.00 0.00 C ATOM 639 C ALA A 80 5.853 -8.526 6.877 1.00 0.00 C ATOM 640 O ALA A 80 6.468 -8.951 7.855 1.00 0.00 O ATOM 641 CB ALA A 80 4.556 -6.412 7.149 1.00 0.00 C ATOM 0 H ALA A 80 5.082 -6.311 4.731 1.00 0.00 H new ATOM 0 HA ALA A 80 6.693 -6.554 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.530 -6.586 8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.552 -5.339 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.681 -6.868 6.687 1.00 0.00 H new ATOM 647 N ASP A 81 5.189 -9.318 6.041 1.00 0.00 N ATOM 648 CA ASP A 81 5.150 -10.766 6.238 1.00 0.00 C ATOM 649 C ASP A 81 6.419 -11.413 5.688 1.00 0.00 C ATOM 650 O ASP A 81 6.613 -12.623 5.802 1.00 0.00 O ATOM 651 CB ASP A 81 3.926 -11.356 5.537 1.00 0.00 C ATOM 652 CG ASP A 81 2.656 -10.947 6.273 1.00 0.00 C ATOM 653 OD1 ASP A 81 2.771 -10.475 7.393 1.00 0.00 O ATOM 654 OD2 ASP A 81 1.586 -11.112 5.709 1.00 0.00 O ATOM 0 H ASP A 81 4.673 -8.986 5.226 1.00 0.00 H new ATOM 0 HA ASP A 81 5.086 -10.969 7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.886 -11.009 4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.004 -12.443 5.505 1.00 0.00 H new ATOM 659 N GLY A 82 7.281 -10.590 5.102 1.00 0.00 N ATOM 660 CA GLY A 82 8.537 -11.082 4.543 1.00 0.00 C ATOM 661 C GLY A 82 8.317 -11.766 3.199 1.00 0.00 C ATOM 662 O GLY A 82 9.184 -12.493 2.713 1.00 0.00 O ATOM 0 H GLY A 82 7.136 -9.585 5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.233 -10.252 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.997 -11.783 5.239 1.00 0.00 H new ATOM 666 N ARG A 83 7.156 -11.529 2.599 1.00 0.00 N ATOM 667 CA ARG A 83 6.837 -12.127 1.307 1.00 0.00 C ATOM 668 C ARG A 83 7.824 -11.647 0.247 1.00 0.00 C ATOM 669 O ARG A 83 8.236 -12.415 -0.623 1.00 0.00 O ATOM 670 CB ARG A 83 5.411 -11.752 0.889 1.00 0.00 C ATOM 671 CG ARG A 83 4.388 -12.428 1.813 1.00 0.00 C ATOM 672 CD ARG A 83 4.120 -13.866 1.351 1.00 0.00 C ATOM 673 NE ARG A 83 3.101 -14.481 2.194 1.00 0.00 N ATOM 674 CZ ARG A 83 1.808 -14.294 1.954 1.00 0.00 C ATOM 675 NH1 ARG A 83 0.913 -14.859 2.717 1.00 0.00 N ATOM 676 NH2 ARG A 83 1.433 -13.543 0.955 1.00 0.00 N ATOM 0 H ARG A 83 6.424 -10.931 2.983 1.00 0.00 H new ATOM 0 HA ARG A 83 6.910 -13.211 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.286 -10.670 0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.236 -12.056 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.760 -12.432 2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.458 -11.860 1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.792 -13.867 0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.040 -14.448 1.396 1.00 0.00 H new ATOM 0 HE ARG A 83 3.386 -15.064 2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.206 -15.445 3.499 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.080 -14.715 2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.133 -13.100 0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.440 -13.399 0.770 1.00 0.00 H new ATOM 690 N ILE A 84 8.201 -10.375 0.336 1.00 0.00 N ATOM 691 CA ILE A 84 9.144 -9.788 -0.610 1.00 0.00 C ATOM 692 C ILE A 84 10.379 -9.275 0.118 1.00 0.00 C ATOM 693 O ILE A 84 10.347 -9.045 1.328 1.00 0.00 O ATOM 694 CB ILE A 84 8.471 -8.645 -1.374 1.00 0.00 C ATOM 695 CG1 ILE A 84 7.923 -7.609 -0.387 1.00 0.00 C ATOM 696 CG2 ILE A 84 7.324 -9.201 -2.213 1.00 0.00 C ATOM 697 CD1 ILE A 84 7.429 -6.382 -1.156 1.00 0.00 C ATOM 0 H ILE A 84 7.868 -9.731 1.054 1.00 0.00 H new ATOM 0 HA ILE A 84 9.454 -10.557 -1.318 1.00 0.00 H new ATOM 0 HB ILE A 84 9.205 -8.168 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.107 -8.040 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 84 8.700 -7.319 0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 84 6.844 -8.388 -2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.713 -9.932 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.595 -9.681 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.039 -5.645 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.256 -5.947 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 84 6.639 -6.679 -1.846 1.00 0.00 H new ATOM 709 N THR A 85 11.471 -9.106 -0.621 1.00 0.00 N ATOM 710 CA THR A 85 12.709 -8.632 -0.024 1.00 0.00 C ATOM 711 C THR A 85 12.548 -7.199 0.475 1.00 0.00 C ATOM 712 O THR A 85 11.827 -6.400 -0.124 1.00 0.00 O ATOM 713 CB THR A 85 13.844 -8.711 -1.046 1.00 0.00 C ATOM 714 OG1 THR A 85 15.087 -8.534 -0.384 1.00 0.00 O ATOM 715 CG2 THR A 85 13.662 -7.617 -2.098 1.00 0.00 C ATOM 0 H THR A 85 11.522 -9.289 -1.623 1.00 0.00 H new ATOM 0 HA THR A 85 12.952 -9.268 0.827 1.00 0.00 H new ATOM 0 HB THR A 85 13.828 -9.686 -1.534 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.816 -8.586 -1.037 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.471 -7.674 -2.826 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.707 -7.755 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.678 -6.641 -1.614 1.00 0.00 H new ATOM 723 N GLU A 86 13.221 -6.884 1.576 1.00 0.00 N ATOM 724 CA GLU A 86 13.144 -5.545 2.150 1.00 0.00 C ATOM 725 C GLU A 86 14.176 -4.610 1.522 1.00 0.00 C ATOM 726 O GLU A 86 13.934 -3.411 1.385 1.00 0.00 O ATOM 727 CB GLU A 86 13.373 -5.614 3.661 1.00 0.00 C ATOM 728 CG GLU A 86 12.211 -6.357 4.323 1.00 0.00 C ATOM 729 CD GLU A 86 12.463 -6.491 5.822 1.00 0.00 C ATOM 730 OE1 GLU A 86 13.553 -6.151 6.252 1.00 0.00 O ATOM 731 OE2 GLU A 86 11.562 -6.931 6.517 1.00 0.00 O ATOM 0 H GLU A 86 13.822 -7.532 2.086 1.00 0.00 H new ATOM 0 HA GLU A 86 12.150 -5.148 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.312 -6.124 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.456 -4.608 4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.279 -5.819 4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.098 -7.344 3.875 1.00 0.00 H new ATOM 738 N GLU A 87 15.335 -5.158 1.168 1.00 0.00 N ATOM 739 CA GLU A 87 16.405 -4.348 0.589 1.00 0.00 C ATOM 740 C GLU A 87 15.945 -3.629 -0.676 1.00 0.00 C ATOM 741 O GLU A 87 16.373 -2.507 -0.943 1.00 0.00 O ATOM 742 CB GLU A 87 17.611 -5.233 0.265 1.00 0.00 C ATOM 743 CG GLU A 87 17.245 -6.209 -0.858 1.00 0.00 C ATOM 744 CD GLU A 87 17.424 -5.553 -2.228 1.00 0.00 C ATOM 745 OE1 GLU A 87 18.261 -4.673 -2.345 1.00 0.00 O ATOM 746 OE2 GLU A 87 16.718 -5.943 -3.142 1.00 0.00 O ATOM 0 H GLU A 87 15.557 -6.148 1.270 1.00 0.00 H new ATOM 0 HA GLU A 87 16.685 -3.594 1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 87 18.457 -4.616 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.920 -5.784 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.871 -7.099 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.212 -6.537 -0.739 1.00 0.00 H new ATOM 753 N GLN A 88 15.072 -4.264 -1.451 1.00 0.00 N ATOM 754 CA GLN A 88 14.578 -3.638 -2.674 1.00 0.00 C ATOM 755 C GLN A 88 13.793 -2.373 -2.337 1.00 0.00 C ATOM 756 O GLN A 88 13.944 -1.342 -2.990 1.00 0.00 O ATOM 757 CB GLN A 88 13.686 -4.616 -3.447 1.00 0.00 C ATOM 758 CG GLN A 88 13.216 -3.976 -4.757 1.00 0.00 C ATOM 759 CD GLN A 88 12.332 -4.954 -5.525 1.00 0.00 C ATOM 760 OE1 GLN A 88 11.322 -5.420 -4.999 1.00 0.00 O ATOM 761 NE2 GLN A 88 12.652 -5.291 -6.743 1.00 0.00 N ATOM 0 H GLN A 88 14.697 -5.193 -1.261 1.00 0.00 H new ATOM 0 HA GLN A 88 15.431 -3.370 -3.298 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.236 -5.533 -3.658 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.825 -4.893 -2.839 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.663 -3.061 -4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.077 -3.696 -5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.490 -4.903 -7.176 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.064 -5.943 -7.263 1.00 0.00 H new ATOM 770 N ALA A 89 12.954 -2.467 -1.311 1.00 0.00 N ATOM 771 CA ALA A 89 12.143 -1.331 -0.885 1.00 0.00 C ATOM 772 C ALA A 89 13.021 -0.181 -0.405 1.00 0.00 C ATOM 773 O ALA A 89 12.731 0.987 -0.666 1.00 0.00 O ATOM 774 CB ALA A 89 11.207 -1.760 0.245 1.00 0.00 C ATOM 0 H ALA A 89 12.818 -3.315 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 89 11.560 -0.989 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.603 -0.909 0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.553 -2.558 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.796 -2.119 1.089 1.00 0.00 H new ATOM 780 N LYS A 90 14.076 -0.516 0.330 1.00 0.00 N ATOM 781 CA LYS A 90 14.971 0.494 0.880 1.00 0.00 C ATOM 782 C LYS A 90 15.597 1.334 -0.225 1.00 0.00 C ATOM 783 O LYS A 90 15.777 2.538 -0.057 1.00 0.00 O ATOM 784 CB LYS A 90 16.085 -0.184 1.684 1.00 0.00 C ATOM 785 CG LYS A 90 15.507 -0.928 2.897 1.00 0.00 C ATOM 786 CD LYS A 90 15.019 0.057 3.964 1.00 0.00 C ATOM 787 CE LYS A 90 14.735 -0.707 5.254 1.00 0.00 C ATOM 788 NZ LYS A 90 16.010 -1.253 5.800 1.00 0.00 N ATOM 0 H LYS A 90 14.331 -1.477 0.558 1.00 0.00 H new ATOM 0 HA LYS A 90 14.385 1.147 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 90 16.626 -0.884 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 90 16.804 0.563 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.681 -1.563 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.267 -1.583 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.772 0.825 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.118 0.566 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.267 -0.047 5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.033 -1.518 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.942 -1.325 6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.184 -2.196 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.795 -0.619 5.548 1.00 0.00 H new ATOM 802 N ALA A 91 15.943 0.708 -1.343 1.00 0.00 N ATOM 803 CA ALA A 91 16.569 1.448 -2.432 1.00 0.00 C ATOM 804 C ALA A 91 15.783 2.724 -2.708 1.00 0.00 C ATOM 805 O ALA A 91 16.360 3.799 -2.852 1.00 0.00 O ATOM 806 CB ALA A 91 16.609 0.589 -3.698 1.00 0.00 C ATOM 0 H ALA A 91 15.805 -0.287 -1.518 1.00 0.00 H new ATOM 0 HA ALA A 91 17.588 1.705 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 91 17.079 1.152 -4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 91 17.184 -0.317 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.593 0.319 -3.987 1.00 0.00 H new ATOM 812 N TYR A 92 14.466 2.608 -2.751 1.00 0.00 N ATOM 813 CA TYR A 92 13.618 3.772 -2.974 1.00 0.00 C ATOM 814 C TYR A 92 13.808 4.774 -1.834 1.00 0.00 C ATOM 815 O TYR A 92 13.965 5.974 -2.053 1.00 0.00 O ATOM 816 CB TYR A 92 12.152 3.345 -3.041 1.00 0.00 C ATOM 817 CG TYR A 92 11.279 4.558 -3.249 1.00 0.00 C ATOM 818 CD1 TYR A 92 11.149 5.114 -4.527 1.00 0.00 C ATOM 819 CD2 TYR A 92 10.594 5.125 -2.166 1.00 0.00 C ATOM 820 CE1 TYR A 92 10.336 6.236 -4.724 1.00 0.00 C ATOM 821 CE2 TYR A 92 9.781 6.248 -2.363 1.00 0.00 C ATOM 822 CZ TYR A 92 9.651 6.803 -3.642 1.00 0.00 C ATOM 823 OH TYR A 92 8.848 7.908 -3.838 1.00 0.00 O ATOM 0 H TYR A 92 13.962 1.729 -2.636 1.00 0.00 H new ATOM 0 HA TYR A 92 13.898 4.239 -3.918 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.006 2.636 -3.856 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.869 2.835 -2.120 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.677 4.677 -5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.693 4.696 -1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.237 6.665 -5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.254 6.686 -1.528 1.00 0.00 H new ATOM 0 HH TYR A 92 8.445 8.175 -2.986 1.00 0.00 H new ATOM 833 N LYS A 93 13.768 4.247 -0.615 1.00 0.00 N ATOM 834 CA LYS A 93 13.909 5.048 0.598 1.00 0.00 C ATOM 835 C LYS A 93 15.282 5.728 0.693 1.00 0.00 C ATOM 836 O LYS A 93 15.480 6.615 1.522 1.00 0.00 O ATOM 837 CB LYS A 93 13.694 4.141 1.816 1.00 0.00 C ATOM 838 CG LYS A 93 13.587 4.976 3.095 1.00 0.00 C ATOM 839 CD LYS A 93 13.306 4.053 4.280 1.00 0.00 C ATOM 840 CE LYS A 93 13.183 4.885 5.557 1.00 0.00 C ATOM 841 NZ LYS A 93 12.903 3.982 6.710 1.00 0.00 N ATOM 0 H LYS A 93 13.637 3.251 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 93 13.161 5.840 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.787 3.552 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.521 3.437 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.512 5.528 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.790 5.713 2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.387 3.493 4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.109 3.323 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.104 5.442 5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.383 5.617 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.819 4.546 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.014 3.470 6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.681 3.300 6.814 1.00 0.00 H new ATOM 855 N GLU A 94 16.230 5.329 -0.151 1.00 0.00 N ATOM 856 CA GLU A 94 17.562 5.937 -0.108 1.00 0.00 C ATOM 857 C GLU A 94 17.505 7.426 -0.428 1.00 0.00 C ATOM 858 O GLU A 94 18.334 8.198 0.054 1.00 0.00 O ATOM 859 CB GLU A 94 18.514 5.252 -1.093 1.00 0.00 C ATOM 860 CG GLU A 94 18.853 3.844 -0.601 1.00 0.00 C ATOM 861 CD GLU A 94 19.704 3.123 -1.641 1.00 0.00 C ATOM 862 OE1 GLU A 94 19.842 3.651 -2.732 1.00 0.00 O ATOM 863 OE2 GLU A 94 20.203 2.054 -1.332 1.00 0.00 O ATOM 0 H GLU A 94 16.109 4.604 -0.859 1.00 0.00 H new ATOM 0 HA GLU A 94 17.936 5.805 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.054 5.200 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.426 5.839 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.390 3.899 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.937 3.283 -0.416 1.00 0.00 H new ATOM 870 N TYR A 95 16.533 7.836 -1.237 1.00 0.00 N ATOM 871 CA TYR A 95 16.413 9.245 -1.588 1.00 0.00 C ATOM 872 C TYR A 95 16.120 10.080 -0.345 1.00 0.00 C ATOM 873 O TYR A 95 16.702 11.148 -0.152 1.00 0.00 O ATOM 874 CB TYR A 95 15.298 9.438 -2.617 1.00 0.00 C ATOM 875 CG TYR A 95 15.795 9.022 -3.981 1.00 0.00 C ATOM 876 CD1 TYR A 95 15.761 7.675 -4.361 1.00 0.00 C ATOM 877 CD2 TYR A 95 16.293 9.986 -4.866 1.00 0.00 C ATOM 878 CE1 TYR A 95 16.225 7.292 -5.624 1.00 0.00 C ATOM 879 CE2 TYR A 95 16.757 9.603 -6.130 1.00 0.00 C ATOM 880 CZ TYR A 95 16.723 8.257 -6.510 1.00 0.00 C ATOM 881 OH TYR A 95 17.180 7.879 -7.756 1.00 0.00 O ATOM 0 H TYR A 95 15.830 7.226 -1.654 1.00 0.00 H new ATOM 0 HA TYR A 95 17.358 9.576 -2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 95 14.426 8.846 -2.340 1.00 0.00 H new ATOM 0 HB3 TYR A 95 14.982 10.481 -2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 95 15.376 6.931 -3.679 1.00 0.00 H new ATOM 0 HD2 TYR A 95 16.319 11.025 -4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 95 16.199 6.253 -5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 95 17.141 10.347 -6.812 1.00 0.00 H new ATOM 0 HH TYR A 95 17.490 8.670 -8.245 1.00 0.00 H new ATOM 891 N ASN A 96 15.225 9.581 0.500 1.00 0.00 N ATOM 892 CA ASN A 96 14.874 10.282 1.729 1.00 0.00 C ATOM 893 C ASN A 96 16.075 10.357 2.666 1.00 0.00 C ATOM 894 O ASN A 96 16.312 11.378 3.308 1.00 0.00 O ATOM 895 CB ASN A 96 13.721 9.563 2.430 1.00 0.00 C ATOM 896 CG ASN A 96 13.185 10.422 3.570 1.00 0.00 C ATOM 897 OD1 ASN A 96 13.160 11.648 3.466 1.00 0.00 O ATOM 898 ND2 ASN A 96 12.753 9.848 4.659 1.00 0.00 N ATOM 0 H ASN A 96 14.732 8.699 0.358 1.00 0.00 H new ATOM 0 HA ASN A 96 14.566 11.295 1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.924 9.354 1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 96 14.062 8.603 2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 96 12.394 10.416 5.427 1.00 0.00 H new ATOM 0 HD22 ASN A 96 12.775 8.832 4.743 1.00 0.00 H new ATOM 905 N ASP A 97 16.819 9.258 2.746 1.00 0.00 N ATOM 906 CA ASP A 97 17.990 9.190 3.615 1.00 0.00 C ATOM 907 C ASP A 97 19.043 10.218 3.210 1.00 0.00 C ATOM 908 O ASP A 97 19.697 10.816 4.063 1.00 0.00 O ATOM 909 CB ASP A 97 18.599 7.787 3.559 1.00 0.00 C ATOM 910 CG ASP A 97 17.690 6.794 4.276 1.00 0.00 C ATOM 911 OD1 ASP A 97 16.794 7.238 4.976 1.00 0.00 O ATOM 912 OD2 ASP A 97 17.903 5.603 4.116 1.00 0.00 O ATOM 0 H ASP A 97 16.633 8.404 2.221 1.00 0.00 H new ATOM 0 HA ASP A 97 17.666 9.413 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 97 18.737 7.483 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 97 19.585 7.791 4.024 1.00 0.00 H new ATOM 917 N LYS A 98 19.213 10.411 1.906 1.00 0.00 N ATOM 918 CA LYS A 98 20.204 11.361 1.411 1.00 0.00 C ATOM 919 C LYS A 98 19.906 12.764 1.936 1.00 0.00 C ATOM 920 O LYS A 98 20.806 13.469 2.393 1.00 0.00 O ATOM 921 CB LYS A 98 20.197 11.366 -0.121 1.00 0.00 C ATOM 922 CG LYS A 98 21.262 12.331 -0.649 1.00 0.00 C ATOM 923 CD LYS A 98 21.269 12.295 -2.179 1.00 0.00 C ATOM 924 CE LYS A 98 22.330 13.261 -2.710 1.00 0.00 C ATOM 925 NZ LYS A 98 22.340 13.217 -4.200 1.00 0.00 N ATOM 0 H LYS A 98 18.684 9.928 1.180 1.00 0.00 H new ATOM 0 HA LYS A 98 21.189 11.057 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 98 20.388 10.361 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 98 19.214 11.662 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 98 21.057 13.343 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 98 22.243 12.053 -0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 98 21.476 11.283 -2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 98 20.287 12.570 -2.564 1.00 0.00 H new ATOM 0 HE2 LYS A 98 22.119 14.274 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 98 23.311 12.990 -2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 23.061 13.873 -4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 22.560 12.251 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 21.406 13.495 -4.562 1.00 0.00 H new ATOM 939 N ASN A 99 18.641 13.163 1.869 1.00 0.00 N ATOM 940 CA ASN A 99 18.245 14.485 2.345 1.00 0.00 C ATOM 941 C ASN A 99 17.891 14.429 3.829 1.00 0.00 C ATOM 942 O ASN A 99 17.599 15.451 4.450 1.00 0.00 O ATOM 943 CB ASN A 99 17.040 14.987 1.544 1.00 0.00 C ATOM 944 CG ASN A 99 16.884 16.494 1.719 1.00 0.00 C ATOM 945 OD1 ASN A 99 16.829 16.989 2.844 1.00 0.00 O ATOM 946 ND2 ASN A 99 16.813 17.260 0.664 1.00 0.00 N ATOM 0 H ASN A 99 17.879 12.598 1.494 1.00 0.00 H new ATOM 0 HA ASN A 99 19.080 15.172 2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 99 17.170 14.747 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 99 16.135 14.479 1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.712 18.269 0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.859 16.849 -0.269 1.00 0.00 H new ATOM 953 N GLY A 100 17.923 13.225 4.391 1.00 0.00 N ATOM 954 CA GLY A 100 17.607 13.039 5.802 1.00 0.00 C ATOM 955 C GLY A 100 16.114 12.798 5.997 1.00 0.00 C ATOM 956 O GLY A 100 15.299 13.185 5.159 1.00 0.00 O ATOM 0 H GLY A 100 18.163 12.368 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.171 12.194 6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 100 17.914 13.919 6.367 1.00 0.00 H new ATOM 960 N GLY A 101 15.758 12.164 7.110 1.00 0.00 N ATOM 961 CA GLY A 101 14.357 11.887 7.403 1.00 0.00 C ATOM 962 C GLY A 101 13.566 13.182 7.539 1.00 0.00 C ATOM 963 O GLY A 101 12.427 13.279 7.087 1.00 0.00 O ATOM 0 H GLY A 101 16.414 11.835 7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.929 11.276 6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.281 11.311 8.325 1.00 0.00 H new ATOM 967 N ALA A 102 14.178 14.170 8.183 1.00 0.00 N ATOM 968 CA ALA A 102 13.529 15.458 8.405 1.00 0.00 C ATOM 969 C ALA A 102 13.136 16.114 7.084 1.00 0.00 C ATOM 970 O ALA A 102 12.306 17.022 7.058 1.00 0.00 O ATOM 971 CB ALA A 102 14.470 16.388 9.174 1.00 0.00 C ATOM 0 H ALA A 102 15.123 14.104 8.561 1.00 0.00 H new ATOM 0 HA ALA A 102 12.624 15.283 8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.980 17.348 9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 102 14.719 15.940 10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 102 15.383 16.540 8.598 1.00 0.00 H new ATOM 977 N ASN A 103 13.724 15.646 5.990 1.00 0.00 N ATOM 978 CA ASN A 103 13.402 16.203 4.680 1.00 0.00 C ATOM 979 C ASN A 103 11.917 16.005 4.381 1.00 0.00 C ATOM 980 O ASN A 103 11.238 16.914 3.900 1.00 0.00 O ATOM 981 CB ASN A 103 14.240 15.523 3.598 1.00 0.00 C ATOM 982 CG ASN A 103 14.075 16.255 2.271 1.00 0.00 C ATOM 983 OD1 ASN A 103 13.920 17.477 2.252 1.00 0.00 O ATOM 984 ND2 ASN A 103 14.099 15.580 1.156 1.00 0.00 N ATOM 0 H ASN A 103 14.415 14.895 5.981 1.00 0.00 H new ATOM 0 HA ASN A 103 13.628 17.269 4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.290 15.516 3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.933 14.483 3.489 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.989 16.064 0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.228 14.568 1.175 1.00 0.00 H new ATOM 991 N ARG A 104 11.425 14.802 4.662 1.00 0.00 N ATOM 992 CA ARG A 104 10.023 14.478 4.413 1.00 0.00 C ATOM 993 C ARG A 104 9.121 15.606 4.907 1.00 0.00 C ATOM 994 O ARG A 104 9.532 16.423 5.732 1.00 0.00 O ATOM 995 CB ARG A 104 9.649 13.172 5.119 1.00 0.00 C ATOM 996 CG ARG A 104 9.433 13.430 6.614 1.00 0.00 C ATOM 997 CD ARG A 104 9.442 12.100 7.371 1.00 0.00 C ATOM 998 NE ARG A 104 8.306 11.280 6.966 1.00 0.00 N ATOM 999 CZ ARG A 104 8.179 10.026 7.387 1.00 0.00 C ATOM 1000 NH1 ARG A 104 7.150 9.314 7.017 1.00 0.00 N ATOM 1001 NH2 ARG A 104 9.084 9.506 8.170 1.00 0.00 N ATOM 0 H ARG A 104 11.972 14.039 5.060 1.00 0.00 H new ATOM 0 HA ARG A 104 9.883 14.357 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 104 8.743 12.757 4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 104 10.439 12.434 4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 104 10.217 14.084 6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 104 8.484 13.943 6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 104 10.372 11.568 7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 104 9.402 12.284 8.445 1.00 0.00 H new ATOM 0 HE ARG A 104 7.597 11.676 6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.443 9.720 6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.053 8.352 7.340 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.889 10.062 8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 104 8.987 8.543 8.493 1.00 0.00 H new ATOM 1015 N LYS A 105 7.891 15.641 4.398 1.00 0.00 N ATOM 1016 CA LYS A 105 6.931 16.670 4.790 1.00 0.00 C ATOM 1017 C LYS A 105 7.628 18.019 4.948 1.00 0.00 C ATOM 1018 O LYS A 105 8.663 18.268 4.331 1.00 0.00 O ATOM 1019 CB LYS A 105 6.252 16.280 6.110 1.00 0.00 C ATOM 1020 CG LYS A 105 5.594 14.897 5.986 1.00 0.00 C ATOM 1021 CD LYS A 105 4.250 15.011 5.255 1.00 0.00 C ATOM 1022 CE LYS A 105 3.541 13.655 5.281 1.00 0.00 C ATOM 1023 NZ LYS A 105 4.304 12.680 4.453 1.00 0.00 N ATOM 0 H LYS A 105 7.537 14.971 3.715 1.00 0.00 H new ATOM 0 HA LYS A 105 6.176 16.754 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.987 16.269 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.501 17.025 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.254 14.220 5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.442 14.469 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.628 15.768 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.409 15.331 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.461 13.294 6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.525 13.756 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.715 11.842 4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.563 13.121 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.167 12.395 4.959 1.00 0.00 H new ATOM 1037 N VAL A 106 7.064 18.881 5.790 1.00 0.00 N ATOM 1038 CA VAL A 106 7.651 20.193 6.030 1.00 0.00 C ATOM 1039 C VAL A 106 7.533 20.567 7.503 1.00 0.00 C ATOM 1040 O VAL A 106 6.601 20.141 8.185 1.00 0.00 O ATOM 1041 CB VAL A 106 6.943 21.245 5.176 1.00 0.00 C ATOM 1042 CG1 VAL A 106 7.129 20.912 3.696 1.00 0.00 C ATOM 1043 CG2 VAL A 106 5.449 21.250 5.513 1.00 0.00 C ATOM 0 H VAL A 106 6.208 18.696 6.313 1.00 0.00 H new ATOM 0 HA VAL A 106 8.706 20.156 5.758 1.00 0.00 H new ATOM 0 HB VAL A 106 7.368 22.227 5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.624 21.662 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.192 20.905 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.704 19.930 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.941 21.999 4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.026 20.267 5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.315 21.487 6.568 1.00 0.00 H new ATOM 1053 N ASN A 107 8.477 21.367 7.988 1.00 0.00 N ATOM 1054 CA ASN A 107 8.468 21.798 9.370 1.00 0.00 C ATOM 1055 C ASN A 107 8.461 20.603 10.313 1.00 0.00 C ATOM 1056 O ASN A 107 7.932 20.679 11.423 1.00 0.00 O ATOM 1057 CB ASN A 107 7.247 22.664 9.616 1.00 0.00 C ATOM 1058 CG ASN A 107 7.232 23.837 8.644 1.00 0.00 C ATOM 1059 OD1 ASN A 107 6.289 23.988 7.865 1.00 0.00 O ATOM 1060 ND2 ASN A 107 8.225 24.683 8.640 1.00 0.00 N ATOM 0 H ASN A 107 9.257 21.727 7.438 1.00 0.00 H new ATOM 0 HA ASN A 107 9.372 22.374 9.565 1.00 0.00 H new ATOM 0 HB2 ASN A 107 6.341 22.071 9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 107 7.253 23.032 10.642 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.221 25.470 7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 107 9.005 24.557 9.285 1.00 0.00 H new ATOM 1067 N ASP A 108 9.060 19.508 9.861 1.00 0.00 N ATOM 1068 CA ASP A 108 9.139 18.290 10.652 1.00 0.00 C ATOM 1069 C ASP A 108 7.875 18.090 11.484 1.00 0.00 C ATOM 1070 O ASP A 108 6.799 18.197 10.922 1.00 0.00 O ATOM 1071 CB ASP A 108 10.356 18.364 11.567 1.00 0.00 C ATOM 1072 CG ASP A 108 11.638 18.155 10.765 1.00 0.00 C ATOM 1073 OD1 ASP A 108 11.541 17.758 9.616 1.00 0.00 O ATOM 1074 OD2 ASP A 108 12.701 18.398 11.315 1.00 0.00 O ATOM 0 H ASP A 108 9.501 19.441 8.944 1.00 0.00 H new ATOM 0 HA ASP A 108 9.234 17.441 9.975 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.385 19.333 12.066 1.00 0.00 H new ATOM 0 HB3 ASP A 108 10.279 17.606 12.347 1.00 0.00 H new TER 1079 ASP A 108