USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 584 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.032 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00162 USER MOD Single : A 88 MET CE :methyl -125:sc= -0.0116 (180deg=-0.0989) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 154:sc= -0.147 (180deg=-0.453) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.372 K(o=0.37,f=-7.7!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 151:sc= 1.29 (180deg=0.693) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.255 K(o=-0.25,f=-2.6!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 7.024 1.651 -13.219 1.00 0.00 N ATOM 2 CA ALA A 47 8.257 1.661 -12.382 1.00 0.00 C ATOM 3 C ALA A 47 7.929 2.259 -11.019 1.00 0.00 C ATOM 4 O ALA A 47 6.880 2.877 -10.831 1.00 0.00 O ATOM 5 CB ALA A 47 9.368 2.486 -13.035 1.00 0.00 C ATOM 0 HA ALA A 47 8.608 0.634 -12.278 1.00 0.00 H new ATOM 0 HB1 ALA A 47 10.253 2.473 -12.399 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.614 2.060 -14.008 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.030 3.514 -13.164 1.00 0.00 H new ATOM 13 N GLY A 48 8.840 2.070 -10.069 1.00 0.00 N ATOM 14 CA GLY A 48 8.641 2.596 -8.721 1.00 0.00 C ATOM 15 C GLY A 48 9.256 3.984 -8.586 1.00 0.00 C ATOM 16 O GLY A 48 9.557 4.645 -9.580 1.00 0.00 O ATOM 0 H GLY A 48 9.714 1.562 -10.204 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.575 2.642 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.091 1.921 -7.992 1.00 0.00 H new ATOM 20 N ALA A 49 9.440 4.418 -7.343 1.00 0.00 N ATOM 21 CA ALA A 49 10.022 5.732 -7.082 1.00 0.00 C ATOM 22 C ALA A 49 11.262 5.602 -6.207 1.00 0.00 C ATOM 23 O ALA A 49 12.387 5.823 -6.659 1.00 0.00 O ATOM 24 CB ALA A 49 9.007 6.636 -6.379 1.00 0.00 C ATOM 0 H ALA A 49 9.198 3.886 -6.507 1.00 0.00 H new ATOM 0 HA ALA A 49 10.299 6.173 -8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.457 7.611 -6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.128 6.757 -7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.712 6.184 -5.432 1.00 0.00 H new ATOM 30 N GLY A 50 11.046 5.239 -4.945 1.00 0.00 N ATOM 31 CA GLY A 50 12.154 5.080 -4.007 1.00 0.00 C ATOM 32 C GLY A 50 11.657 5.143 -2.568 1.00 0.00 C ATOM 33 O GLY A 50 12.068 4.352 -1.718 1.00 0.00 O ATOM 0 H GLY A 50 10.124 5.051 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.652 4.126 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.894 5.862 -4.176 1.00 0.00 H new ATOM 37 N LYS A 51 10.766 6.093 -2.304 1.00 0.00 N ATOM 38 CA LYS A 51 10.214 6.256 -0.962 1.00 0.00 C ATOM 39 C LYS A 51 9.130 7.330 -0.957 1.00 0.00 C ATOM 40 O LYS A 51 9.326 8.433 -1.468 1.00 0.00 O ATOM 41 CB LYS A 51 11.313 6.654 0.025 1.00 0.00 C ATOM 42 CG LYS A 51 12.050 7.887 -0.501 1.00 0.00 C ATOM 43 CD LYS A 51 13.364 8.060 0.264 1.00 0.00 C ATOM 44 CE LYS A 51 14.134 9.252 -0.305 1.00 0.00 C ATOM 45 NZ LYS A 51 15.095 9.806 0.691 1.00 0.00 N ATOM 0 H LYS A 51 10.413 6.756 -2.994 1.00 0.00 H new ATOM 0 HA LYS A 51 9.782 5.302 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.879 6.866 1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.012 5.829 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.249 7.778 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.428 8.774 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.162 8.217 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.965 7.154 0.185 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.673 8.944 -1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.432 10.030 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.601 10.613 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.576 10.122 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.779 9.070 0.960 1.00 0.00 H new ATOM 59 N ALA A 52 7.984 6.993 -0.373 1.00 0.00 N ATOM 60 CA ALA A 52 6.871 7.935 -0.304 1.00 0.00 C ATOM 61 C ALA A 52 7.197 9.075 0.658 1.00 0.00 C ATOM 62 O ALA A 52 8.267 9.108 1.264 1.00 0.00 O ATOM 63 CB ALA A 52 5.598 7.226 0.170 1.00 0.00 C ATOM 0 H ALA A 52 7.802 6.085 0.055 1.00 0.00 H new ATOM 0 HA ALA A 52 6.708 8.340 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.778 7.943 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.344 6.428 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.765 6.802 1.160 1.00 0.00 H new ATOM 69 N GLY A 53 6.258 10.008 0.788 1.00 0.00 N ATOM 70 CA GLY A 53 6.450 11.149 1.679 1.00 0.00 C ATOM 71 C GLY A 53 5.897 12.425 1.054 1.00 0.00 C ATOM 72 O GLY A 53 6.549 13.468 1.056 1.00 0.00 O ATOM 0 H GLY A 53 5.366 9.998 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.953 10.960 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.511 11.274 1.893 1.00 0.00 H new ATOM 76 N GLU A 54 4.683 12.330 0.518 1.00 0.00 N ATOM 77 CA GLU A 54 4.046 13.483 -0.111 1.00 0.00 C ATOM 78 C GLU A 54 2.599 13.158 -0.476 1.00 0.00 C ATOM 79 O GLU A 54 2.086 13.604 -1.503 1.00 0.00 O ATOM 80 CB GLU A 54 4.805 13.882 -1.377 1.00 0.00 C ATOM 81 CG GLU A 54 4.270 15.218 -1.896 1.00 0.00 C ATOM 82 CD GLU A 54 5.393 15.981 -2.589 1.00 0.00 C ATOM 83 OE1 GLU A 54 5.855 15.514 -3.616 1.00 0.00 O ATOM 84 OE2 GLU A 54 5.775 17.023 -2.081 1.00 0.00 O ATOM 0 H GLU A 54 4.126 11.476 0.506 1.00 0.00 H new ATOM 0 HA GLU A 54 4.062 14.310 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.871 13.964 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.691 13.112 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.449 15.047 -2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.871 15.807 -1.070 1.00 0.00 H new ATOM 91 N GLY A 55 1.949 12.374 0.379 1.00 0.00 N ATOM 92 CA GLY A 55 0.560 11.990 0.139 1.00 0.00 C ATOM 93 C GLY A 55 0.443 10.483 -0.060 1.00 0.00 C ATOM 94 O GLY A 55 -0.567 9.873 0.291 1.00 0.00 O ATOM 0 H GLY A 55 2.355 11.995 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.059 12.299 0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.181 12.508 -0.742 1.00 0.00 H new ATOM 98 N GLU A 56 1.490 9.890 -0.628 1.00 0.00 N ATOM 99 CA GLU A 56 1.498 8.450 -0.871 1.00 0.00 C ATOM 100 C GLU A 56 1.802 7.696 0.420 1.00 0.00 C ATOM 101 O GLU A 56 2.614 8.133 1.236 1.00 0.00 O ATOM 102 CB GLU A 56 2.552 8.089 -1.920 1.00 0.00 C ATOM 103 CG GLU A 56 2.313 8.912 -3.188 1.00 0.00 C ATOM 104 CD GLU A 56 3.527 8.799 -4.103 1.00 0.00 C ATOM 105 OE1 GLU A 56 3.652 7.782 -4.766 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.313 9.732 -4.130 1.00 0.00 O ATOM 0 H GLU A 56 2.335 10.378 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 56 0.512 8.164 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.551 8.284 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.502 7.025 -2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.421 8.555 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.135 9.956 -2.929 1.00 0.00 H new ATOM 113 N ILE A 57 1.141 6.556 0.593 1.00 0.00 N ATOM 114 CA ILE A 57 1.345 5.741 1.789 1.00 0.00 C ATOM 115 C ILE A 57 2.592 4.862 1.626 1.00 0.00 C ATOM 116 O ILE A 57 2.620 3.978 0.771 1.00 0.00 O ATOM 117 CB ILE A 57 0.132 4.841 2.037 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.142 5.690 2.046 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.282 4.139 3.388 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.366 4.776 1.959 1.00 0.00 C ATOM 0 H ILE A 57 0.466 6.177 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 57 1.478 6.412 2.637 1.00 0.00 H new ATOM 0 HB ILE A 57 0.068 4.096 1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.186 6.289 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.134 6.385 1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.582 3.499 3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.188 3.533 3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.348 4.885 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.273 5.381 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.323 4.197 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.376 4.099 2.813 1.00 0.00 H new ATOM 132 N PRO A 58 3.637 5.085 2.438 1.00 0.00 N ATOM 133 CA PRO A 58 4.873 4.291 2.356 1.00 0.00 C ATOM 134 C PRO A 58 4.681 2.867 2.870 1.00 0.00 C ATOM 135 O PRO A 58 3.871 2.618 3.764 1.00 0.00 O ATOM 136 CB PRO A 58 5.860 5.049 3.240 1.00 0.00 C ATOM 137 CG PRO A 58 5.013 5.803 4.206 1.00 0.00 C ATOM 138 CD PRO A 58 3.726 6.109 3.498 1.00 0.00 C ATOM 0 HA PRO A 58 5.212 4.182 1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.533 4.365 3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.481 5.723 2.650 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.831 5.213 5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.509 6.721 4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.876 6.052 4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.733 7.115 3.079 1.00 0.00 H new ATOM 146 N ALA A 59 5.436 1.934 2.295 1.00 0.00 N ATOM 147 CA ALA A 59 5.341 0.535 2.700 1.00 0.00 C ATOM 148 C ALA A 59 6.158 0.290 3.972 1.00 0.00 C ATOM 149 O ALA A 59 7.211 0.898 4.166 1.00 0.00 O ATOM 150 CB ALA A 59 5.860 -0.380 1.591 1.00 0.00 C ATOM 0 H ALA A 59 6.113 2.119 1.555 1.00 0.00 H new ATOM 0 HA ALA A 59 4.292 0.311 2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.782 -1.419 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.266 -0.232 0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.903 -0.142 1.382 1.00 0.00 H new ATOM 156 N PRO A 60 5.686 -0.604 4.854 1.00 0.00 N ATOM 157 CA PRO A 60 6.390 -0.917 6.107 1.00 0.00 C ATOM 158 C PRO A 60 7.642 -1.761 5.876 1.00 0.00 C ATOM 159 O PRO A 60 8.595 -1.709 6.653 1.00 0.00 O ATOM 160 CB PRO A 60 5.363 -1.700 6.920 1.00 0.00 C ATOM 161 CG PRO A 60 4.442 -2.299 5.915 1.00 0.00 C ATOM 162 CD PRO A 60 4.441 -1.385 4.722 1.00 0.00 C ATOM 0 HA PRO A 60 6.742 -0.014 6.605 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.843 -2.471 7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.825 -1.047 7.607 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.774 -3.299 5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.437 -2.400 6.325 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.423 -1.949 3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.564 -0.737 4.719 1.00 0.00 H new ATOM 170 N LEU A 61 7.629 -2.538 4.796 1.00 0.00 N ATOM 171 CA LEU A 61 8.769 -3.390 4.468 1.00 0.00 C ATOM 172 C LEU A 61 8.701 -3.834 3.012 1.00 0.00 C ATOM 173 O LEU A 61 7.635 -3.831 2.395 1.00 0.00 O ATOM 174 CB LEU A 61 8.793 -4.628 5.367 1.00 0.00 C ATOM 175 CG LEU A 61 7.477 -5.412 5.443 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.477 -6.519 4.386 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.336 -6.039 6.833 1.00 0.00 C ATOM 0 H LEU A 61 6.851 -2.596 4.139 1.00 0.00 H new ATOM 0 HA LEU A 61 9.678 -2.810 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.576 -5.299 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.071 -4.319 6.375 1.00 0.00 H new ATOM 0 HG LEU A 61 6.643 -4.735 5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.541 -7.075 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.578 -6.076 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.312 -7.195 4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.401 -6.596 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.172 -6.714 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.335 -5.253 7.588 1.00 0.00 H new ATOM 189 N ALA A 62 9.853 -4.217 2.467 1.00 0.00 N ATOM 190 CA ALA A 62 9.917 -4.665 1.079 1.00 0.00 C ATOM 191 C ALA A 62 9.342 -6.071 0.949 1.00 0.00 C ATOM 192 O ALA A 62 10.055 -7.064 1.095 1.00 0.00 O ATOM 193 CB ALA A 62 11.364 -4.668 0.583 1.00 0.00 C ATOM 0 H ALA A 62 10.746 -4.226 2.959 1.00 0.00 H new ATOM 0 HA ALA A 62 9.330 -3.975 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.393 -5.005 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.773 -3.660 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.959 -5.342 1.200 1.00 0.00 H new ATOM 199 N GLY A 63 8.043 -6.143 0.674 1.00 0.00 N ATOM 200 CA GLY A 63 7.376 -7.434 0.527 1.00 0.00 C ATOM 201 C GLY A 63 6.746 -7.564 -0.854 1.00 0.00 C ATOM 202 O GLY A 63 6.978 -6.741 -1.740 1.00 0.00 O ATOM 0 H GLY A 63 7.436 -5.333 0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.094 -8.239 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.608 -7.541 1.293 1.00 0.00 H new ATOM 206 N THR A 64 5.943 -8.611 -1.028 1.00 0.00 N ATOM 207 CA THR A 64 5.279 -8.844 -2.306 1.00 0.00 C ATOM 208 C THR A 64 3.792 -8.523 -2.199 1.00 0.00 C ATOM 209 O THR A 64 3.126 -8.910 -1.238 1.00 0.00 O ATOM 210 CB THR A 64 5.443 -10.303 -2.737 1.00 0.00 C ATOM 211 OG1 THR A 64 6.810 -10.675 -2.632 1.00 0.00 O ATOM 212 CG2 THR A 64 4.977 -10.466 -4.184 1.00 0.00 C ATOM 0 H THR A 64 5.738 -9.304 -0.308 1.00 0.00 H new ATOM 0 HA THR A 64 5.740 -8.192 -3.048 1.00 0.00 H new ATOM 0 HB THR A 64 4.841 -10.943 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.917 -11.610 -2.906 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.095 -11.506 -4.489 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.928 -10.181 -4.263 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.576 -9.827 -4.833 1.00 0.00 H new ATOM 220 N VAL A 65 3.279 -7.811 -3.198 1.00 0.00 N ATOM 221 CA VAL A 65 1.867 -7.442 -3.209 1.00 0.00 C ATOM 222 C VAL A 65 1.002 -8.679 -3.436 1.00 0.00 C ATOM 223 O VAL A 65 1.135 -9.371 -4.444 1.00 0.00 O ATOM 224 CB VAL A 65 1.585 -6.417 -4.313 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.137 -5.934 -4.212 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.529 -5.222 -4.151 1.00 0.00 C ATOM 0 H VAL A 65 3.813 -7.481 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 65 1.624 -7.000 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 65 1.744 -6.883 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.059 -5.205 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.538 -6.782 -4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.025 -5.470 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.330 -4.492 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.368 -4.761 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.562 -5.562 -4.225 1.00 0.00 H new ATOM 236 N SER A 66 0.112 -8.945 -2.484 1.00 0.00 N ATOM 237 CA SER A 66 -0.774 -10.099 -2.585 1.00 0.00 C ATOM 238 C SER A 66 -2.118 -9.687 -3.175 1.00 0.00 C ATOM 239 O SER A 66 -2.531 -10.183 -4.224 1.00 0.00 O ATOM 240 CB SER A 66 -1.004 -10.722 -1.208 1.00 0.00 C ATOM 241 OG SER A 66 -1.265 -12.112 -1.359 1.00 0.00 O ATOM 0 H SER A 66 -0.014 -8.383 -1.642 1.00 0.00 H new ATOM 0 HA SER A 66 -0.299 -10.831 -3.238 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.128 -10.571 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.843 -10.235 -0.711 1.00 0.00 H new ATOM 0 HG SER A 66 -1.411 -12.515 -0.478 1.00 0.00 H new ATOM 247 N LYS A 67 -2.798 -8.774 -2.486 1.00 0.00 N ATOM 248 CA LYS A 67 -4.101 -8.301 -2.950 1.00 0.00 C ATOM 249 C LYS A 67 -4.336 -6.863 -2.503 1.00 0.00 C ATOM 250 O LYS A 67 -3.897 -6.450 -1.429 1.00 0.00 O ATOM 251 CB LYS A 67 -5.223 -9.182 -2.393 1.00 0.00 C ATOM 252 CG LYS A 67 -4.912 -10.654 -2.678 1.00 0.00 C ATOM 253 CD LYS A 67 -6.148 -11.504 -2.381 1.00 0.00 C ATOM 254 CE LYS A 67 -6.955 -11.698 -3.666 1.00 0.00 C ATOM 255 NZ LYS A 67 -8.411 -11.836 -3.379 1.00 0.00 N ATOM 0 H LYS A 67 -2.475 -8.351 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.106 -8.351 -4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.325 -9.023 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.175 -8.907 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.614 -10.779 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.074 -10.985 -2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.849 -12.471 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.763 -11.019 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.793 -10.850 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.600 -12.586 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.930 -11.966 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.567 -12.660 -2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.754 -10.978 -2.901 1.00 0.00 H new ATOM 269 N ILE A 68 -5.040 -6.105 -3.339 1.00 0.00 N ATOM 270 CA ILE A 68 -5.337 -4.710 -3.022 1.00 0.00 C ATOM 271 C ILE A 68 -6.779 -4.582 -2.540 1.00 0.00 C ATOM 272 O ILE A 68 -7.716 -4.985 -3.228 1.00 0.00 O ATOM 273 CB ILE A 68 -5.141 -3.817 -4.254 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.779 -4.110 -4.893 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.197 -2.345 -3.834 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.714 -3.461 -6.277 1.00 0.00 C ATOM 0 H ILE A 68 -5.412 -6.428 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.653 -4.388 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.932 -4.022 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.979 -3.725 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.629 -5.186 -4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.058 -1.711 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.166 -2.132 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.407 -2.143 -3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.745 -3.669 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.505 -3.867 -6.907 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.845 -2.383 -6.180 1.00 0.00 H new ATOM 288 N LEU A 69 -6.947 -4.022 -1.345 1.00 0.00 N ATOM 289 CA LEU A 69 -8.283 -3.855 -0.775 1.00 0.00 C ATOM 290 C LEU A 69 -8.809 -2.441 -1.018 1.00 0.00 C ATOM 291 O LEU A 69 -9.619 -1.927 -0.246 1.00 0.00 O ATOM 292 CB LEU A 69 -8.259 -4.123 0.730 1.00 0.00 C ATOM 293 CG LEU A 69 -8.294 -5.598 1.134 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.933 -6.237 0.859 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.616 -5.709 2.626 1.00 0.00 C ATOM 0 H LEU A 69 -6.186 -3.680 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.942 -4.571 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.360 -3.670 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.111 -3.619 1.185 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.060 -6.114 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.959 -7.288 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.702 -6.158 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.166 -5.722 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.641 -6.760 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.849 -5.192 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.587 -5.255 2.823 1.00 0.00 H new ATOM 307 N VAL A 70 -8.345 -1.817 -2.099 1.00 0.00 N ATOM 308 CA VAL A 70 -8.783 -0.464 -2.430 1.00 0.00 C ATOM 309 C VAL A 70 -8.665 -0.217 -3.929 1.00 0.00 C ATOM 310 O VAL A 70 -7.864 -0.849 -4.618 1.00 0.00 O ATOM 311 CB VAL A 70 -7.938 0.577 -1.694 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.193 0.475 -0.189 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.456 0.323 -1.976 1.00 0.00 C ATOM 0 H VAL A 70 -7.674 -2.221 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.824 -0.370 -2.121 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.210 1.574 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.590 1.218 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.248 0.656 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.923 -0.522 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.854 1.065 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.186 -0.675 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.272 0.398 -3.048 1.00 0.00 H new ATOM 323 N LYS A 71 -9.474 0.713 -4.425 1.00 0.00 N ATOM 324 CA LYS A 71 -9.460 1.048 -5.844 1.00 0.00 C ATOM 325 C LYS A 71 -9.641 2.550 -6.030 1.00 0.00 C ATOM 326 O LYS A 71 -10.157 3.240 -5.152 1.00 0.00 O ATOM 327 CB LYS A 71 -10.581 0.314 -6.582 1.00 0.00 C ATOM 328 CG LYS A 71 -10.477 -1.187 -6.306 1.00 0.00 C ATOM 329 CD LYS A 71 -11.604 -1.920 -7.038 1.00 0.00 C ATOM 330 CE LYS A 71 -11.608 -3.393 -6.624 1.00 0.00 C ATOM 331 NZ LYS A 71 -12.701 -4.146 -7.303 1.00 0.00 N ATOM 0 H LYS A 71 -10.144 1.245 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.499 0.740 -6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.551 0.688 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.510 0.503 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.509 -1.562 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.542 -1.376 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.564 -1.462 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.468 -1.835 -8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.647 -3.844 -6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.729 -3.468 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.677 -5.141 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.619 -3.730 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.571 -4.094 -8.333 1.00 0.00 H new ATOM 345 N GLU A 72 -9.210 3.049 -7.185 1.00 0.00 N ATOM 346 CA GLU A 72 -9.331 4.476 -7.478 1.00 0.00 C ATOM 347 C GLU A 72 -10.795 4.901 -7.461 1.00 0.00 C ATOM 348 O GLU A 72 -11.495 4.816 -8.470 1.00 0.00 O ATOM 349 CB GLU A 72 -8.735 4.793 -8.851 1.00 0.00 C ATOM 350 CG GLU A 72 -7.208 4.712 -8.775 1.00 0.00 C ATOM 351 CD GLU A 72 -6.627 4.730 -10.185 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.493 3.665 -10.763 1.00 0.00 O ATOM 353 OE2 GLU A 72 -6.324 5.809 -10.665 1.00 0.00 O ATOM 0 H GLU A 72 -8.779 2.496 -7.926 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.785 5.025 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.111 4.089 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.042 5.789 -9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.817 5.550 -8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.907 3.801 -8.258 1.00 0.00 H new ATOM 360 N GLY A 73 -11.250 5.358 -6.298 1.00 0.00 N ATOM 361 CA GLY A 73 -12.636 5.792 -6.150 1.00 0.00 C ATOM 362 C GLY A 73 -13.208 5.351 -4.805 1.00 0.00 C ATOM 363 O GLY A 73 -14.118 5.982 -4.268 1.00 0.00 O ATOM 0 H GLY A 73 -10.686 5.437 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.692 6.877 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.239 5.378 -6.959 1.00 0.00 H new ATOM 367 N ASP A 74 -12.669 4.258 -4.265 1.00 0.00 N ATOM 368 CA ASP A 74 -13.141 3.747 -2.981 1.00 0.00 C ATOM 369 C ASP A 74 -12.560 4.567 -1.834 1.00 0.00 C ATOM 370 O ASP A 74 -11.418 5.024 -1.894 1.00 0.00 O ATOM 371 CB ASP A 74 -12.733 2.283 -2.804 1.00 0.00 C ATOM 372 CG ASP A 74 -13.475 1.421 -3.820 1.00 0.00 C ATOM 373 OD1 ASP A 74 -13.239 1.600 -5.003 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.269 0.596 -3.400 1.00 0.00 O ATOM 0 H ASP A 74 -11.916 3.717 -4.690 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.228 3.824 -2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.657 2.176 -2.938 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.963 1.950 -1.792 1.00 0.00 H new ATOM 379 N THR A 75 -13.360 4.745 -0.787 1.00 0.00 N ATOM 380 CA THR A 75 -12.919 5.510 0.374 1.00 0.00 C ATOM 381 C THR A 75 -12.372 4.576 1.448 1.00 0.00 C ATOM 382 O THR A 75 -12.961 3.537 1.746 1.00 0.00 O ATOM 383 CB THR A 75 -14.081 6.316 0.959 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.945 6.728 -0.091 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.536 7.546 1.687 1.00 0.00 C ATOM 0 H THR A 75 -14.308 4.374 -0.718 1.00 0.00 H new ATOM 0 HA THR A 75 -12.133 6.192 0.049 1.00 0.00 H new ATOM 0 HB THR A 75 -14.635 5.696 1.664 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.691 7.243 0.282 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.364 8.119 2.103 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.874 7.228 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.981 8.168 0.985 1.00 0.00 H new ATOM 393 N VAL A 76 -11.235 4.957 2.023 1.00 0.00 N ATOM 394 CA VAL A 76 -10.611 4.146 3.064 1.00 0.00 C ATOM 395 C VAL A 76 -10.597 4.896 4.391 1.00 0.00 C ATOM 396 O VAL A 76 -10.721 6.120 4.432 1.00 0.00 O ATOM 397 CB VAL A 76 -9.174 3.792 2.679 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.185 2.873 1.457 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.406 5.074 2.345 1.00 0.00 C ATOM 0 H VAL A 76 -10.731 5.813 1.789 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.195 3.232 3.170 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.689 3.283 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.161 2.621 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.733 1.961 1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.669 3.382 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.381 4.823 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.891 5.582 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.398 5.731 3.215 1.00 0.00 H new ATOM 409 N LYS A 77 -10.441 4.145 5.477 1.00 0.00 N ATOM 410 CA LYS A 77 -10.408 4.744 6.808 1.00 0.00 C ATOM 411 C LYS A 77 -9.065 4.472 7.477 1.00 0.00 C ATOM 412 O LYS A 77 -8.484 3.398 7.323 1.00 0.00 O ATOM 413 CB LYS A 77 -11.525 4.171 7.682 1.00 0.00 C ATOM 414 CG LYS A 77 -12.882 4.471 7.042 1.00 0.00 C ATOM 415 CD LYS A 77 -13.945 3.555 7.652 1.00 0.00 C ATOM 416 CE LYS A 77 -15.030 3.269 6.612 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.994 4.400 6.504 1.00 0.00 N ATOM 0 H LYS A 77 -10.336 3.130 5.463 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.551 5.819 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.395 3.095 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.478 4.605 8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.150 5.515 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.830 4.318 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.489 2.622 7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.384 4.026 8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.567 3.090 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.564 2.359 6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.716 4.174 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.453 4.554 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.487 5.263 6.221 1.00 0.00 H new ATOM 431 N ALA A 78 -8.578 5.460 8.224 1.00 0.00 N ATOM 432 CA ALA A 78 -7.298 5.324 8.920 1.00 0.00 C ATOM 433 C ALA A 78 -7.319 4.122 9.862 1.00 0.00 C ATOM 434 O ALA A 78 -7.782 4.213 10.999 1.00 0.00 O ATOM 435 CB ALA A 78 -6.995 6.584 9.732 1.00 0.00 C ATOM 0 H ALA A 78 -9.044 6.356 8.363 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.524 5.178 8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.040 6.466 10.243 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.946 7.444 9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.784 6.741 10.468 1.00 0.00 H new ATOM 441 N GLY A 79 -6.811 2.994 9.373 1.00 0.00 N ATOM 442 CA GLY A 79 -6.774 1.775 10.176 1.00 0.00 C ATOM 443 C GLY A 79 -7.231 0.572 9.359 1.00 0.00 C ATOM 444 O GLY A 79 -6.771 -0.550 9.568 1.00 0.00 O ATOM 0 H GLY A 79 -6.423 2.898 8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.762 1.607 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.415 1.891 11.050 1.00 0.00 H new ATOM 448 N GLN A 80 -8.145 0.819 8.425 1.00 0.00 N ATOM 449 CA GLN A 80 -8.663 -0.254 7.578 1.00 0.00 C ATOM 450 C GLN A 80 -7.573 -0.765 6.641 1.00 0.00 C ATOM 451 O GLN A 80 -6.664 -0.029 6.262 1.00 0.00 O ATOM 452 CB GLN A 80 -9.845 0.244 6.744 1.00 0.00 C ATOM 453 CG GLN A 80 -10.612 -0.953 6.178 1.00 0.00 C ATOM 454 CD GLN A 80 -11.961 -0.488 5.644 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.996 -1.080 5.952 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.014 0.548 4.852 1.00 0.00 N ATOM 0 H GLN A 80 -8.539 1.741 8.236 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.994 -1.065 8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.506 0.855 7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.489 0.878 5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.036 -1.423 5.381 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.756 -1.705 6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.157 1.039 4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.912 0.867 4.489 1.00 0.00 H new ATOM 465 N THR A 81 -7.677 -2.039 6.273 1.00 0.00 N ATOM 466 CA THR A 81 -6.695 -2.646 5.378 1.00 0.00 C ATOM 467 C THR A 81 -6.831 -2.072 3.972 1.00 0.00 C ATOM 468 O THR A 81 -7.937 -1.902 3.459 1.00 0.00 O ATOM 469 CB THR A 81 -6.888 -4.163 5.319 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.131 -4.660 6.628 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.629 -4.819 4.748 1.00 0.00 C ATOM 0 H THR A 81 -8.422 -2.666 6.576 1.00 0.00 H new ATOM 0 HA THR A 81 -5.702 -2.423 5.767 1.00 0.00 H new ATOM 0 HB THR A 81 -7.738 -4.396 4.678 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.256 -5.631 6.591 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.768 -5.899 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.444 -4.438 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.776 -4.587 5.386 1.00 0.00 H new ATOM 479 N VAL A 82 -5.691 -1.770 3.356 1.00 0.00 N ATOM 480 CA VAL A 82 -5.693 -1.206 2.008 1.00 0.00 C ATOM 481 C VAL A 82 -5.076 -2.182 1.008 1.00 0.00 C ATOM 482 O VAL A 82 -5.463 -2.218 -0.161 1.00 0.00 O ATOM 483 CB VAL A 82 -4.906 0.107 1.976 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.602 1.141 2.863 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.486 -0.131 2.494 1.00 0.00 C ATOM 0 H VAL A 82 -4.765 -1.904 3.762 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.730 -1.017 1.729 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.861 0.475 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.042 2.076 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.613 1.315 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.648 0.770 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.928 0.805 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.530 -0.501 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.987 -0.867 1.863 1.00 0.00 H new ATOM 495 N LEU A 83 -4.109 -2.969 1.473 1.00 0.00 N ATOM 496 CA LEU A 83 -3.446 -3.933 0.599 1.00 0.00 C ATOM 497 C LEU A 83 -2.746 -5.012 1.419 1.00 0.00 C ATOM 498 O LEU A 83 -2.244 -4.754 2.514 1.00 0.00 O ATOM 499 CB LEU A 83 -2.413 -3.224 -0.280 1.00 0.00 C ATOM 500 CG LEU A 83 -1.592 -4.132 -1.202 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.260 -3.386 -2.497 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.292 -4.532 -0.499 1.00 0.00 C ATOM 0 H LEU A 83 -3.771 -2.960 2.435 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.206 -4.398 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.930 -2.486 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.727 -2.677 0.366 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.171 -5.025 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.676 -4.034 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.184 -3.101 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.683 -2.491 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.292 -5.178 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.284 -3.637 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.526 -5.066 0.422 1.00 0.00 H new ATOM 514 N VAL A 84 -2.714 -6.225 0.873 1.00 0.00 N ATOM 515 CA VAL A 84 -2.068 -7.343 1.556 1.00 0.00 C ATOM 516 C VAL A 84 -0.694 -7.606 0.947 1.00 0.00 C ATOM 517 O VAL A 84 -0.528 -7.590 -0.273 1.00 0.00 O ATOM 518 CB VAL A 84 -2.919 -8.611 1.439 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.323 -9.710 2.323 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.349 -8.312 1.897 1.00 0.00 C ATOM 0 H VAL A 84 -3.124 -6.458 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.959 -7.081 2.608 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.931 -8.944 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.929 -10.612 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.305 -9.925 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.311 -9.376 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.954 -9.215 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.336 -7.978 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.776 -7.530 1.269 1.00 0.00 H new ATOM 530 N LEU A 85 0.289 -7.847 1.809 1.00 0.00 N ATOM 531 CA LEU A 85 1.649 -8.109 1.344 1.00 0.00 C ATOM 532 C LEU A 85 2.116 -9.486 1.807 1.00 0.00 C ATOM 533 O LEU A 85 1.509 -10.103 2.681 1.00 0.00 O ATOM 534 CB LEU A 85 2.612 -7.047 1.878 1.00 0.00 C ATOM 535 CG LEU A 85 2.713 -5.772 1.038 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.303 -4.644 1.888 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.620 -6.029 -0.167 1.00 0.00 C ATOM 0 H LEU A 85 0.173 -7.867 2.822 1.00 0.00 H new ATOM 0 HA LEU A 85 1.644 -8.077 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.302 -6.774 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.605 -7.489 1.958 1.00 0.00 H new ATOM 0 HG LEU A 85 1.720 -5.484 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.375 -3.736 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.659 -4.461 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.296 -4.930 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.694 -5.122 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.613 -6.316 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.201 -6.832 -0.773 1.00 0.00 H new ATOM 549 N GLU A 86 3.207 -9.958 1.208 1.00 0.00 N ATOM 550 CA GLU A 86 3.755 -11.264 1.563 1.00 0.00 C ATOM 551 C GLU A 86 5.256 -11.158 1.816 1.00 0.00 C ATOM 552 O GLU A 86 6.041 -10.933 0.895 1.00 0.00 O ATOM 553 CB GLU A 86 3.509 -12.272 0.440 1.00 0.00 C ATOM 554 CG GLU A 86 2.099 -12.853 0.575 1.00 0.00 C ATOM 555 CD GLU A 86 1.988 -14.120 -0.267 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.521 -14.126 -1.365 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.372 -15.064 0.197 1.00 0.00 O ATOM 0 H GLU A 86 3.724 -9.462 0.482 1.00 0.00 H new ATOM 0 HA GLU A 86 3.255 -11.604 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.623 -11.787 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.249 -13.071 0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.885 -13.078 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.360 -12.121 0.249 1.00 0.00 H new ATOM 564 N ALA A 87 5.643 -11.326 3.077 1.00 0.00 N ATOM 565 CA ALA A 87 7.055 -11.249 3.447 1.00 0.00 C ATOM 566 C ALA A 87 7.373 -12.262 4.541 1.00 0.00 C ATOM 567 O ALA A 87 6.575 -12.489 5.449 1.00 0.00 O ATOM 568 CB ALA A 87 7.401 -9.847 3.949 1.00 0.00 C ATOM 0 H ALA A 87 5.008 -11.514 3.853 1.00 0.00 H new ATOM 0 HA ALA A 87 7.649 -11.472 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.456 -9.808 4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.201 -9.119 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.793 -9.613 4.823 1.00 0.00 H new ATOM 574 N MET A 88 8.553 -12.871 4.442 1.00 0.00 N ATOM 575 CA MET A 88 8.977 -13.864 5.427 1.00 0.00 C ATOM 576 C MET A 88 8.008 -15.042 5.453 1.00 0.00 C ATOM 577 O MET A 88 7.782 -15.657 6.494 1.00 0.00 O ATOM 578 CB MET A 88 9.042 -13.241 6.825 1.00 0.00 C ATOM 579 CG MET A 88 9.914 -11.984 6.784 1.00 0.00 C ATOM 580 SD MET A 88 9.762 -11.094 8.351 1.00 0.00 S ATOM 581 CE MET A 88 10.894 -12.130 9.311 1.00 0.00 C ATOM 0 H MET A 88 9.227 -12.697 3.697 1.00 0.00 H new ATOM 0 HA MET A 88 9.968 -14.216 5.140 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.039 -12.989 7.170 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.453 -13.958 7.536 1.00 0.00 H new ATOM 0 HG2 MET A 88 10.955 -12.256 6.607 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.607 -11.342 5.958 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.383 -12.501 10.199 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.221 -12.973 8.702 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.761 -11.541 9.611 1.00 0.00 H new ATOM 591 N LYS A 89 7.438 -15.349 4.290 1.00 0.00 N ATOM 592 CA LYS A 89 6.491 -16.458 4.181 1.00 0.00 C ATOM 593 C LYS A 89 5.278 -16.217 5.076 1.00 0.00 C ATOM 594 O LYS A 89 4.691 -17.153 5.618 1.00 0.00 O ATOM 595 CB LYS A 89 7.156 -17.776 4.586 1.00 0.00 C ATOM 596 CG LYS A 89 7.805 -18.419 3.360 1.00 0.00 C ATOM 597 CD LYS A 89 6.728 -19.097 2.510 1.00 0.00 C ATOM 598 CE LYS A 89 6.285 -20.395 3.186 1.00 0.00 C ATOM 599 NZ LYS A 89 4.850 -20.689 2.912 1.00 0.00 N ATOM 0 H LYS A 89 7.612 -14.851 3.417 1.00 0.00 H new ATOM 0 HA LYS A 89 6.168 -16.520 3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.907 -17.595 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.416 -18.452 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.325 -17.663 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.551 -19.150 3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.875 -18.430 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.116 -19.308 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.901 -21.221 2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.443 -20.319 4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.581 -21.576 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.261 -19.912 3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.705 -20.785 1.887 1.00 0.00 H new ATOM 613 N MET A 90 4.911 -14.946 5.223 1.00 0.00 N ATOM 614 CA MET A 90 3.766 -14.587 6.055 1.00 0.00 C ATOM 615 C MET A 90 2.986 -13.441 5.420 1.00 0.00 C ATOM 616 O MET A 90 3.565 -12.529 4.830 1.00 0.00 O ATOM 617 CB MET A 90 4.227 -14.164 7.450 1.00 0.00 C ATOM 618 CG MET A 90 3.154 -14.529 8.477 1.00 0.00 C ATOM 619 SD MET A 90 3.290 -13.433 9.911 1.00 0.00 S ATOM 620 CE MET A 90 1.577 -12.849 9.912 1.00 0.00 C ATOM 0 H MET A 90 5.383 -14.156 4.783 1.00 0.00 H new ATOM 0 HA MET A 90 3.123 -15.463 6.138 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.166 -14.658 7.699 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.416 -13.091 7.472 1.00 0.00 H new ATOM 0 HG2 MET A 90 2.164 -14.440 8.031 1.00 0.00 H new ATOM 0 HG3 MET A 90 3.271 -15.567 8.787 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.297 -12.546 10.921 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.482 -11.998 9.238 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.919 -13.651 9.578 1.00 0.00 H new ATOM 630 N GLU A 91 1.664 -13.497 5.549 1.00 0.00 N ATOM 631 CA GLU A 91 0.808 -12.458 4.984 1.00 0.00 C ATOM 632 C GLU A 91 0.762 -11.246 5.909 1.00 0.00 C ATOM 633 O GLU A 91 0.392 -11.353 7.078 1.00 0.00 O ATOM 634 CB GLU A 91 -0.614 -12.986 4.782 1.00 0.00 C ATOM 635 CG GLU A 91 -0.676 -13.802 3.490 1.00 0.00 C ATOM 636 CD GLU A 91 -2.119 -13.871 3.000 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.974 -14.239 3.790 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.348 -13.554 1.845 1.00 0.00 O ATOM 0 H GLU A 91 1.165 -14.243 6.035 1.00 0.00 H new ATOM 0 HA GLU A 91 1.225 -12.165 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.908 -13.605 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.318 -12.156 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.044 -13.346 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.291 -14.807 3.663 1.00 0.00 H new ATOM 645 N THR A 92 1.140 -10.091 5.369 1.00 0.00 N ATOM 646 CA THR A 92 1.139 -8.858 6.151 1.00 0.00 C ATOM 647 C THR A 92 0.084 -7.894 5.619 1.00 0.00 C ATOM 648 O THR A 92 0.123 -7.487 4.458 1.00 0.00 O ATOM 649 CB THR A 92 2.510 -8.181 6.089 1.00 0.00 C ATOM 650 OG1 THR A 92 3.528 -9.172 6.152 1.00 0.00 O ATOM 651 CG2 THR A 92 2.660 -7.217 7.266 1.00 0.00 C ATOM 0 H THR A 92 1.448 -9.983 4.403 1.00 0.00 H new ATOM 0 HA THR A 92 0.910 -9.115 7.185 1.00 0.00 H new ATOM 0 HB THR A 92 2.599 -7.625 5.155 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.407 -8.741 6.111 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.637 -6.736 7.220 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.879 -6.458 7.217 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.571 -7.769 8.202 1.00 0.00 H new ATOM 659 N GLU A 93 -0.863 -7.534 6.482 1.00 0.00 N ATOM 660 CA GLU A 93 -1.929 -6.617 6.091 1.00 0.00 C ATOM 661 C GLU A 93 -1.470 -5.170 6.240 1.00 0.00 C ATOM 662 O GLU A 93 -0.853 -4.799 7.239 1.00 0.00 O ATOM 663 CB GLU A 93 -3.171 -6.838 6.956 1.00 0.00 C ATOM 664 CG GLU A 93 -3.781 -8.203 6.634 1.00 0.00 C ATOM 665 CD GLU A 93 -5.191 -8.281 7.211 1.00 0.00 C ATOM 666 OE1 GLU A 93 -5.399 -7.742 8.286 1.00 0.00 O ATOM 667 OE2 GLU A 93 -6.040 -8.875 6.569 1.00 0.00 O ATOM 0 H GLU A 93 -0.914 -7.860 7.447 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.175 -6.814 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.906 -6.786 8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.900 -6.049 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.810 -8.355 5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.162 -8.997 7.051 1.00 0.00 H new ATOM 674 N ILE A 94 -1.781 -4.358 5.235 1.00 0.00 N ATOM 675 CA ILE A 94 -1.399 -2.949 5.260 1.00 0.00 C ATOM 676 C ILE A 94 -2.613 -2.077 5.564 1.00 0.00 C ATOM 677 O ILE A 94 -3.645 -2.173 4.899 1.00 0.00 O ATOM 678 CB ILE A 94 -0.808 -2.527 3.910 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.304 -3.508 3.496 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.237 -1.108 4.013 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.419 -3.532 4.551 1.00 0.00 C ATOM 0 H ILE A 94 -2.291 -4.647 4.400 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.649 -2.817 6.040 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.595 -2.542 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.112 -4.508 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.715 -3.214 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.182 -0.814 3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.032 -0.415 4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.546 -1.085 4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.197 -4.231 4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.846 -2.534 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.007 -3.848 5.509 1.00 0.00 H new ATOM 693 N ASN A 95 -2.478 -1.226 6.576 1.00 0.00 N ATOM 694 CA ASN A 95 -3.572 -0.339 6.964 1.00 0.00 C ATOM 695 C ASN A 95 -3.248 1.104 6.585 1.00 0.00 C ATOM 696 O ASN A 95 -2.108 1.553 6.710 1.00 0.00 O ATOM 697 CB ASN A 95 -3.823 -0.421 8.473 1.00 0.00 C ATOM 698 CG ASN A 95 -2.543 -0.083 9.236 1.00 0.00 C ATOM 699 OD1 ASN A 95 -1.446 -0.131 8.679 1.00 0.00 O ATOM 700 ND2 ASN A 95 -2.620 0.260 10.492 1.00 0.00 N ATOM 0 H ASN A 95 -1.632 -1.131 7.138 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.469 -0.659 6.434 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.618 0.270 8.756 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.161 -1.422 8.740 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.772 0.488 11.011 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.528 0.300 10.955 1.00 0.00 H new ATOM 707 N ALA A 96 -4.265 1.824 6.123 1.00 0.00 N ATOM 708 CA ALA A 96 -4.082 3.217 5.728 1.00 0.00 C ATOM 709 C ALA A 96 -3.644 4.058 6.931 1.00 0.00 C ATOM 710 O ALA A 96 -4.100 3.830 8.051 1.00 0.00 O ATOM 711 CB ALA A 96 -5.385 3.789 5.166 1.00 0.00 C ATOM 0 H ALA A 96 -5.216 1.471 6.013 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.310 3.252 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.231 4.828 4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.690 3.211 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.164 3.736 5.927 1.00 0.00 H new ATOM 717 N PRO A 97 -2.758 5.041 6.717 1.00 0.00 N ATOM 718 CA PRO A 97 -2.274 5.907 7.802 1.00 0.00 C ATOM 719 C PRO A 97 -3.333 6.906 8.261 1.00 0.00 C ATOM 720 O PRO A 97 -3.459 7.198 9.452 1.00 0.00 O ATOM 721 CB PRO A 97 -1.084 6.640 7.186 1.00 0.00 C ATOM 722 CG PRO A 97 -1.339 6.632 5.718 1.00 0.00 C ATOM 723 CD PRO A 97 -2.148 5.402 5.422 1.00 0.00 C ATOM 0 HA PRO A 97 -2.016 5.331 8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.008 7.658 7.567 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.146 6.139 7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.877 7.530 5.415 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.401 6.620 5.163 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.908 5.599 4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.521 4.596 5.040 1.00 0.00 H new ATOM 731 N THR A 98 -4.094 7.423 7.302 1.00 0.00 N ATOM 732 CA THR A 98 -5.145 8.389 7.613 1.00 0.00 C ATOM 733 C THR A 98 -6.338 8.191 6.683 1.00 0.00 C ATOM 734 O THR A 98 -6.200 7.663 5.579 1.00 0.00 O ATOM 735 CB THR A 98 -4.623 9.819 7.458 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.957 9.944 6.209 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.647 10.135 8.592 1.00 0.00 C ATOM 0 H THR A 98 -4.006 7.193 6.312 1.00 0.00 H new ATOM 0 HA THR A 98 -5.456 8.229 8.645 1.00 0.00 H new ATOM 0 HB THR A 98 -5.459 10.517 7.497 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.623 10.860 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.276 11.154 8.480 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.158 10.038 9.550 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.810 9.438 8.556 1.00 0.00 H new ATOM 745 N ASP A 99 -7.510 8.619 7.142 1.00 0.00 N ATOM 746 CA ASP A 99 -8.724 8.483 6.340 1.00 0.00 C ATOM 747 C ASP A 99 -8.633 9.348 5.089 1.00 0.00 C ATOM 748 O ASP A 99 -8.117 10.465 5.124 1.00 0.00 O ATOM 749 CB ASP A 99 -9.954 8.903 7.148 1.00 0.00 C ATOM 750 CG ASP A 99 -9.731 10.293 7.736 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.852 11.254 6.994 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.441 10.375 8.918 1.00 0.00 O ATOM 0 H ASP A 99 -7.646 9.058 8.053 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.821 7.436 6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.838 8.905 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.139 8.185 7.947 1.00 0.00 H new ATOM 757 N GLY A 100 -9.140 8.817 3.981 1.00 0.00 N ATOM 758 CA GLY A 100 -9.112 9.550 2.717 1.00 0.00 C ATOM 759 C GLY A 100 -9.709 8.718 1.587 1.00 0.00 C ATOM 760 O GLY A 100 -10.524 7.824 1.817 1.00 0.00 O ATOM 0 H GLY A 100 -9.570 7.894 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.669 10.481 2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.085 9.819 2.471 1.00 0.00 H new ATOM 764 N LYS A 101 -9.295 9.029 0.362 1.00 0.00 N ATOM 765 CA LYS A 101 -9.793 8.312 -0.809 1.00 0.00 C ATOM 766 C LYS A 101 -8.641 7.958 -1.745 1.00 0.00 C ATOM 767 O LYS A 101 -7.694 8.729 -1.906 1.00 0.00 O ATOM 768 CB LYS A 101 -10.804 9.173 -1.571 1.00 0.00 C ATOM 769 CG LYS A 101 -11.528 8.319 -2.617 1.00 0.00 C ATOM 770 CD LYS A 101 -12.889 7.882 -2.073 1.00 0.00 C ATOM 771 CE LYS A 101 -13.955 8.896 -2.491 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.450 8.628 -3.872 1.00 0.00 N ATOM 0 H LYS A 101 -8.622 9.766 0.154 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.278 7.398 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.526 9.603 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.294 10.005 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.659 8.888 -3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.927 7.444 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.144 6.893 -2.453 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.851 7.806 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.789 8.859 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.541 9.903 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.434 8.954 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.856 9.136 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.405 7.607 -4.065 1.00 0.00 H new ATOM 786 N VAL A 102 -8.732 6.783 -2.364 1.00 0.00 N ATOM 787 CA VAL A 102 -7.692 6.337 -3.286 1.00 0.00 C ATOM 788 C VAL A 102 -7.861 7.021 -4.639 1.00 0.00 C ATOM 789 O VAL A 102 -8.844 6.799 -5.345 1.00 0.00 O ATOM 790 CB VAL A 102 -7.761 4.818 -3.473 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.568 4.346 -4.309 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.725 4.134 -2.102 1.00 0.00 C ATOM 0 H VAL A 102 -9.506 6.130 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.722 6.602 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.687 4.559 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.620 3.265 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.593 4.831 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.641 4.605 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.774 3.053 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.800 4.396 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.576 4.466 -1.507 1.00 0.00 H new ATOM 802 N GLU A 103 -6.888 7.858 -4.990 1.00 0.00 N ATOM 803 CA GLU A 103 -6.936 8.576 -6.262 1.00 0.00 C ATOM 804 C GLU A 103 -6.142 7.829 -7.331 1.00 0.00 C ATOM 805 O GLU A 103 -6.461 7.892 -8.517 1.00 0.00 O ATOM 806 CB GLU A 103 -6.364 9.988 -6.108 1.00 0.00 C ATOM 807 CG GLU A 103 -4.970 9.916 -5.479 1.00 0.00 C ATOM 808 CD GLU A 103 -4.271 11.261 -5.637 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.911 11.592 -6.756 1.00 0.00 O ATOM 810 OE2 GLU A 103 -4.104 11.942 -4.638 1.00 0.00 O ATOM 0 H GLU A 103 -6.066 8.055 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.980 8.642 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.309 10.476 -7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.024 10.592 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.049 9.657 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.384 9.131 -5.957 1.00 0.00 H new ATOM 817 N LYS A 104 -5.103 7.119 -6.898 1.00 0.00 N ATOM 818 CA LYS A 104 -4.270 6.364 -7.830 1.00 0.00 C ATOM 819 C LYS A 104 -3.530 5.248 -7.100 1.00 0.00 C ATOM 820 O LYS A 104 -2.923 5.467 -6.051 1.00 0.00 O ATOM 821 CB LYS A 104 -3.247 7.285 -8.501 1.00 0.00 C ATOM 822 CG LYS A 104 -2.983 6.803 -9.929 1.00 0.00 C ATOM 823 CD LYS A 104 -2.529 7.983 -10.790 1.00 0.00 C ATOM 824 CE LYS A 104 -1.003 8.092 -10.743 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.555 9.506 -10.886 1.00 0.00 N ATOM 0 H LYS A 104 -4.820 7.051 -5.920 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.922 5.932 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.619 8.310 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.318 7.291 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.219 6.026 -9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.887 6.360 -10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.863 7.846 -11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.981 8.906 -10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.636 7.686 -9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.569 7.489 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.484 9.546 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.885 9.884 -11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.951 10.076 -10.111 1.00 0.00 H new ATOM 839 N VAL A 105 -3.587 4.047 -7.669 1.00 0.00 N ATOM 840 CA VAL A 105 -2.919 2.895 -7.068 1.00 0.00 C ATOM 841 C VAL A 105 -1.705 2.494 -7.901 1.00 0.00 C ATOM 842 O VAL A 105 -1.835 1.860 -8.949 1.00 0.00 O ATOM 843 CB VAL A 105 -3.879 1.707 -6.972 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.216 0.562 -6.196 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.157 2.144 -6.248 1.00 0.00 C ATOM 0 H VAL A 105 -4.084 3.846 -8.537 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.595 3.176 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.126 1.362 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.905 -0.280 -6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.308 0.250 -6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.963 0.902 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.843 1.299 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.907 2.492 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.632 2.952 -6.804 1.00 0.00 H new ATOM 855 N LEU A 106 -0.523 2.872 -7.424 1.00 0.00 N ATOM 856 CA LEU A 106 0.713 2.548 -8.131 1.00 0.00 C ATOM 857 C LEU A 106 1.053 1.072 -7.960 1.00 0.00 C ATOM 858 O LEU A 106 1.609 0.440 -8.858 1.00 0.00 O ATOM 859 CB LEU A 106 1.871 3.392 -7.599 1.00 0.00 C ATOM 860 CG LEU A 106 1.586 4.889 -7.463 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.455 5.477 -6.350 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.910 5.591 -8.785 1.00 0.00 C ATOM 0 H LEU A 106 -0.394 3.398 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 106 0.563 2.766 -9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.161 3.005 -6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.727 3.261 -8.261 1.00 0.00 H new ATOM 0 HG LEU A 106 0.534 5.037 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.251 6.543 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.227 4.978 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.507 5.329 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.707 6.658 -8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.962 5.442 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.291 5.174 -9.580 1.00 0.00 H new ATOM 874 N VAL A 107 0.714 0.530 -6.794 1.00 0.00 N ATOM 875 CA VAL A 107 0.989 -0.876 -6.512 1.00 0.00 C ATOM 876 C VAL A 107 0.032 -1.770 -7.292 1.00 0.00 C ATOM 877 O VAL A 107 -1.099 -1.384 -7.589 1.00 0.00 O ATOM 878 CB VAL A 107 0.836 -1.164 -5.017 1.00 0.00 C ATOM 879 CG1 VAL A 107 1.914 -0.407 -4.239 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.547 -0.707 -4.547 1.00 0.00 C ATOM 0 H VAL A 107 0.254 1.035 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 107 2.014 -1.087 -6.817 1.00 0.00 H new ATOM 0 HB VAL A 107 0.944 -2.234 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.805 -0.612 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.899 -0.732 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.806 0.663 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.656 -0.912 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.656 0.363 -4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.316 -1.246 -5.101 1.00 0.00 H new ATOM 890 N LYS A 108 0.498 -2.970 -7.623 1.00 0.00 N ATOM 891 CA LYS A 108 -0.324 -3.914 -8.373 1.00 0.00 C ATOM 892 C LYS A 108 -0.115 -5.333 -7.854 1.00 0.00 C ATOM 893 O LYS A 108 0.911 -5.643 -7.249 1.00 0.00 O ATOM 894 CB LYS A 108 0.031 -3.870 -9.861 1.00 0.00 C ATOM 895 CG LYS A 108 -0.446 -2.545 -10.461 1.00 0.00 C ATOM 896 CD LYS A 108 -0.571 -2.688 -11.978 1.00 0.00 C ATOM 897 CE LYS A 108 -0.964 -1.341 -12.588 1.00 0.00 C ATOM 898 NZ LYS A 108 -0.625 -1.281 -14.038 1.00 0.00 N ATOM 0 H LYS A 108 1.430 -3.310 -7.387 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.368 -3.629 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.108 -3.974 -9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.436 -4.706 -10.382 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.407 -2.264 -10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.257 -1.749 -10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.374 -3.029 -12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.319 -3.442 -12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.034 -1.178 -12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.452 -0.537 -12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.904 -0.355 -14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.399 -1.412 -14.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.134 -2.033 -14.545 1.00 0.00 H new ATOM 912 N GLU A 109 -1.101 -6.191 -8.101 1.00 0.00 N ATOM 913 CA GLU A 109 -1.020 -7.581 -7.655 1.00 0.00 C ATOM 914 C GLU A 109 0.174 -8.280 -8.298 1.00 0.00 C ATOM 915 O GLU A 109 0.534 -8.003 -9.443 1.00 0.00 O ATOM 916 CB GLU A 109 -2.298 -8.336 -8.027 1.00 0.00 C ATOM 917 CG GLU A 109 -3.478 -7.760 -7.241 1.00 0.00 C ATOM 918 CD GLU A 109 -4.729 -8.585 -7.524 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.026 -8.793 -8.689 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.371 -8.996 -6.572 1.00 0.00 O ATOM 0 H GLU A 109 -1.957 -5.953 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.899 -7.580 -6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.484 -8.251 -9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.184 -9.397 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.257 -7.769 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.644 -6.720 -7.523 1.00 0.00 H new ATOM 927 N ARG A 110 0.787 -9.191 -7.544 1.00 0.00 N ATOM 928 CA ARG A 110 1.945 -9.932 -8.043 1.00 0.00 C ATOM 929 C ARG A 110 3.087 -8.973 -8.372 1.00 0.00 C ATOM 930 O ARG A 110 3.818 -9.160 -9.345 1.00 0.00 O ATOM 931 CB ARG A 110 1.572 -10.730 -9.302 1.00 0.00 C ATOM 932 CG ARG A 110 2.241 -12.110 -9.265 1.00 0.00 C ATOM 933 CD ARG A 110 3.447 -12.133 -10.209 1.00 0.00 C ATOM 934 NE ARG A 110 4.560 -12.859 -9.604 1.00 0.00 N ATOM 935 CZ ARG A 110 5.801 -12.384 -9.663 1.00 0.00 C ATOM 936 NH1 ARG A 110 6.311 -12.032 -10.812 1.00 0.00 N ATOM 937 NH2 ARG A 110 6.509 -12.267 -8.573 1.00 0.00 N ATOM 0 H ARG A 110 0.505 -9.433 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 110 2.267 -10.623 -7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.490 -10.843 -9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.887 -10.188 -10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.560 -12.342 -8.249 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.525 -12.878 -9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.169 -12.604 -11.152 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.754 -11.113 -10.440 1.00 0.00 H new ATOM 0 HE ARG A 110 4.383 -13.744 -9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.758 -12.121 -11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.263 -11.668 -10.857 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.111 -12.540 -7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.461 -11.903 -8.620 1.00 0.00 H new ATOM 951 N ASP A 111 3.233 -7.941 -7.545 1.00 0.00 N ATOM 952 CA ASP A 111 4.289 -6.954 -7.750 1.00 0.00 C ATOM 953 C ASP A 111 5.111 -6.780 -6.476 1.00 0.00 C ATOM 954 O ASP A 111 4.585 -6.859 -5.366 1.00 0.00 O ATOM 955 CB ASP A 111 3.689 -5.603 -8.143 1.00 0.00 C ATOM 956 CG ASP A 111 4.794 -4.682 -8.649 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.054 -4.700 -9.841 1.00 0.00 O ATOM 958 OD2 ASP A 111 5.364 -3.971 -7.837 1.00 0.00 O ATOM 0 H ASP A 111 2.639 -7.767 -6.734 1.00 0.00 H new ATOM 0 HA ASP A 111 4.934 -7.313 -8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.933 -5.740 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.190 -5.152 -7.286 1.00 0.00 H new ATOM 963 N ALA A 112 6.408 -6.546 -6.650 1.00 0.00 N ATOM 964 CA ALA A 112 7.299 -6.362 -5.508 1.00 0.00 C ATOM 965 C ALA A 112 7.424 -4.881 -5.161 1.00 0.00 C ATOM 966 O ALA A 112 7.551 -4.031 -6.042 1.00 0.00 O ATOM 967 CB ALA A 112 8.689 -6.920 -5.816 1.00 0.00 C ATOM 0 H ALA A 112 6.863 -6.480 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 112 6.873 -6.899 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.339 -6.774 -4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.613 -7.985 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.107 -6.400 -6.678 1.00 0.00 H new ATOM 973 N VAL A 113 7.388 -4.584 -3.865 1.00 0.00 N ATOM 974 CA VAL A 113 7.499 -3.204 -3.406 1.00 0.00 C ATOM 975 C VAL A 113 8.697 -3.049 -2.473 1.00 0.00 C ATOM 976 O VAL A 113 9.148 -4.012 -1.854 1.00 0.00 O ATOM 977 CB VAL A 113 6.231 -2.781 -2.663 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.053 -2.752 -3.637 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.941 -3.785 -1.544 1.00 0.00 C ATOM 0 H VAL A 113 7.284 -5.274 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 113 7.634 -2.569 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 113 6.373 -1.788 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.150 -2.450 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.259 -2.040 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.909 -3.745 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.038 -3.486 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.798 -4.777 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.780 -3.808 -0.849 1.00 0.00 H new ATOM 989 N GLN A 114 9.205 -1.823 -2.379 1.00 0.00 N ATOM 990 CA GLN A 114 10.352 -1.550 -1.518 1.00 0.00 C ATOM 991 C GLN A 114 9.896 -0.897 -0.217 1.00 0.00 C ATOM 992 O GLN A 114 8.952 -0.108 -0.199 1.00 0.00 O ATOM 993 CB GLN A 114 11.341 -0.618 -2.222 1.00 0.00 C ATOM 994 CG GLN A 114 12.268 -1.440 -3.120 1.00 0.00 C ATOM 995 CD GLN A 114 13.626 -0.752 -3.214 1.00 0.00 C ATOM 996 OE1 GLN A 114 14.019 -0.012 -2.312 1.00 0.00 O ATOM 997 NE2 GLN A 114 14.374 -0.954 -4.264 1.00 0.00 N ATOM 0 H GLN A 114 8.846 -1.012 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 114 10.841 -2.499 -1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.802 0.119 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.926 -0.067 -1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.385 -2.446 -2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.831 -1.544 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 114 14.049 -1.567 -5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 114 15.284 -0.499 -4.337 1.00 0.00 H new ATOM 1006 N GLY A 115 10.580 -1.236 0.873 1.00 0.00 N ATOM 1007 CA GLY A 115 10.240 -0.677 2.179 1.00 0.00 C ATOM 1008 C GLY A 115 10.398 0.839 2.174 1.00 0.00 C ATOM 1009 O GLY A 115 11.513 1.362 2.162 1.00 0.00 O ATOM 0 H GLY A 115 11.365 -1.888 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.214 -0.940 2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.882 -1.112 2.945 1.00 0.00 H new ATOM 1013 N GLY A 116 9.268 1.540 2.179 1.00 0.00 N ATOM 1014 CA GLY A 116 9.290 3.000 2.171 1.00 0.00 C ATOM 1015 C GLY A 116 8.667 3.549 0.890 1.00 0.00 C ATOM 1016 O GLY A 116 8.131 4.656 0.871 1.00 0.00 O ATOM 0 H GLY A 116 8.335 1.127 2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.747 3.380 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.318 3.352 2.260 1.00 0.00 H new ATOM 1020 N GLN A 117 8.743 2.761 -0.182 1.00 0.00 N ATOM 1021 CA GLN A 117 8.183 3.180 -1.467 1.00 0.00 C ATOM 1022 C GLN A 117 6.684 3.439 -1.342 1.00 0.00 C ATOM 1023 O GLN A 117 5.973 2.724 -0.637 1.00 0.00 O ATOM 1024 CB GLN A 117 8.415 2.102 -2.528 1.00 0.00 C ATOM 1025 CG GLN A 117 8.223 2.705 -3.921 1.00 0.00 C ATOM 1026 CD GLN A 117 8.152 1.586 -4.954 1.00 0.00 C ATOM 1027 OE1 GLN A 117 8.985 0.680 -4.955 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.196 1.594 -5.842 1.00 0.00 N ATOM 0 H GLN A 117 9.181 1.840 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 117 8.685 4.100 -1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.421 1.694 -2.433 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.720 1.275 -2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.309 3.299 -3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.048 3.378 -4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.506 2.345 -5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.139 0.849 -6.537 1.00 0.00 H new ATOM 1037 N GLY A 118 6.216 4.473 -2.034 1.00 0.00 N ATOM 1038 CA GLY A 118 4.799 4.824 -1.995 1.00 0.00 C ATOM 1039 C GLY A 118 3.942 3.683 -2.532 1.00 0.00 C ATOM 1040 O GLY A 118 4.168 3.184 -3.634 1.00 0.00 O ATOM 0 H GLY A 118 6.789 5.077 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.505 5.054 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.626 5.723 -2.586 1.00 0.00 H new ATOM 1044 N LEU A 119 2.955 3.277 -1.738 1.00 0.00 N ATOM 1045 CA LEU A 119 2.065 2.190 -2.139 1.00 0.00 C ATOM 1046 C LEU A 119 0.845 2.742 -2.871 1.00 0.00 C ATOM 1047 O LEU A 119 0.557 2.359 -4.005 1.00 0.00 O ATOM 1048 CB LEU A 119 1.598 1.404 -0.914 1.00 0.00 C ATOM 1049 CG LEU A 119 2.702 0.677 -0.139 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.093 -0.040 1.067 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.374 -0.347 -1.055 1.00 0.00 C ATOM 0 H LEU A 119 2.752 3.679 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 119 2.619 1.529 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.092 2.090 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.859 0.670 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 119 3.442 1.400 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.879 -0.557 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.612 0.689 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.353 -0.764 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.160 -0.866 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.633 -1.070 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.808 0.163 -1.915 1.00 0.00 H new ATOM 1063 N ILE A 120 0.131 3.646 -2.207 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.061 4.249 -2.801 1.00 0.00 C ATOM 1065 C ILE A 120 -1.140 5.731 -2.444 1.00 0.00 C ATOM 1066 O ILE A 120 -0.652 6.159 -1.397 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.326 3.545 -2.302 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.191 2.036 -2.522 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.541 4.062 -3.077 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.378 1.317 -1.881 1.00 0.00 C ATOM 0 H ILE A 120 0.352 3.975 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.991 4.138 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.457 3.750 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.152 1.816 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.258 1.677 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.440 3.560 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.640 5.137 -2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.409 3.858 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.281 0.243 -2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.396 1.527 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.305 1.668 -2.335 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.761 6.507 -3.326 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.901 7.942 -3.098 1.00 0.00 C ATOM 1084 C LYS A 121 -3.273 8.256 -2.506 1.00 0.00 C ATOM 1085 O LYS A 121 -4.305 7.866 -3.053 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.736 8.712 -4.409 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.103 10.076 -4.127 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.507 10.639 -5.418 1.00 0.00 C ATOM 1089 CE LYS A 121 0.735 11.467 -5.087 1.00 0.00 C ATOM 1090 NZ LYS A 121 1.378 12.001 -6.322 1.00 0.00 N ATOM 0 H LYS A 121 -2.172 6.172 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.124 8.248 -2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.111 8.145 -5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.705 8.842 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.852 10.761 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.327 9.979 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.245 9.826 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.243 11.257 -5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.459 12.294 -4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.449 10.852 -4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.217 12.558 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.662 11.210 -6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.703 12.608 -6.830 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.270 8.964 -1.380 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.520 9.327 -0.718 1.00 0.00 C ATOM 1106 C ILE A 122 -4.831 10.804 -0.942 1.00 0.00 C ATOM 1107 O ILE A 122 -3.931 11.640 -1.011 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.428 9.059 0.788 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.943 7.619 1.034 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.804 9.259 1.433 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.920 6.612 0.414 1.00 0.00 C ATOM 0 H ILE A 122 -2.427 9.295 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.316 8.718 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.717 9.756 1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.951 7.484 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.854 7.437 2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.735 9.068 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.138 10.283 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.519 8.568 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.563 5.599 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.905 6.736 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.988 6.785 -0.660 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.120 11.114 -1.056 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.546 12.494 -1.272 1.00 0.00 C ATOM 1125 C GLY A 123 -8.055 12.629 -1.097 1.00 0.00 C ATOM 1126 O GLY A 123 -8.476 13.596 -0.486 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.767 11.762 -1.578 1.00 0.00 O ATOM 0 H GLY A 123 -6.881 10.436 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.034 13.152 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.262 12.814 -2.274 1.00 0.00 H new TER 1131 GLY A 123