USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 730 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 1 MET CE :methyl 174:sc= -0.0527 (180deg=-0.0646) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.3 (180deg=0.451) USER MOD Single : A 14 ASN : amide:sc= 0.0158 X(o=0.016,f=0) USER MOD Single : A 16 THR OG1 : rot -88:sc= 1.23 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -137:sc= 0.66 (180deg=0.265) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 0.963 (180deg=0.774) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 26:sc= 1.17 USER MOD Single : A 47 MET CE :methyl 176:sc= -1.2 (180deg=-1.28) USER MOD Single : A 53 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -0.278 (180deg=-0.5) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -133:sc= 1.17 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 76 MET CE :methyl 160:sc= -0.681 (180deg=-0.977) USER MOD Single : A 79 GLN : amide:sc= 0.327 X(o=0.33,f=-0.16) USER MOD Single : A 81 MET CE :methyl -175:sc= 0 (180deg=-0.0285) USER MOD Single : A 84 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 75:sc= 0.715 USER MOD Single : A 90 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 91 GLN : amide:sc= 0.535 K(o=0.54,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.544 13.396 5.916 1.00 1.00 N ATOM 2 CA MET A 1 -7.691 12.937 5.103 1.00 1.00 C ATOM 3 C MET A 1 -7.487 13.321 3.640 1.00 1.00 C ATOM 4 O MET A 1 -6.540 14.025 3.290 1.00 1.00 O ATOM 5 CB MET A 1 -9.030 13.510 5.602 1.00 1.00 C ATOM 6 CG MET A 1 -9.501 12.911 6.926 1.00 1.00 C ATOM 7 SD MET A 1 -8.489 13.309 8.369 1.00 1.00 S ATOM 8 CE MET A 1 -7.812 11.668 8.726 1.00 1.00 C ATOM 0 H1 MET A 1 -6.847 13.525 6.902 1.00 1.00 H new ATOM 0 H2 MET A 1 -5.785 12.686 5.877 1.00 1.00 H new ATOM 0 H3 MET A 1 -6.192 14.300 5.541 1.00 1.00 H new ATOM 0 HA MET A 1 -7.737 11.852 5.201 1.00 1.00 H new ATOM 0 HB2 MET A 1 -8.933 14.590 5.716 1.00 1.00 H new ATOM 0 HB3 MET A 1 -9.794 13.337 4.844 1.00 1.00 H new ATOM 0 HG2 MET A 1 -10.520 13.249 7.115 1.00 1.00 H new ATOM 0 HG3 MET A 1 -9.540 11.827 6.820 1.00 1.00 H new ATOM 0 HE1 MET A 1 -7.077 11.744 9.527 1.00 1.00 H new ATOM 0 HE2 MET A 1 -8.617 11.001 9.035 1.00 1.00 H new ATOM 0 HE3 MET A 1 -7.334 11.269 7.831 1.00 1.00 H new ATOM 20 N GLY A 2 -8.386 12.854 2.780 1.00 1.00 N ATOM 21 CA GLY A 2 -8.447 13.061 1.344 1.00 1.00 C ATOM 22 C GLY A 2 -8.866 11.726 0.745 1.00 1.00 C ATOM 23 O GLY A 2 -8.437 10.709 1.269 1.00 1.00 O ATOM 0 H GLY A 2 -9.157 12.270 3.103 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -9.163 13.843 1.093 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -7.480 13.377 0.954 1.00 1.00 H new ATOM 27 N ARG A 3 -9.611 11.673 -0.364 1.00 1.00 N ATOM 28 CA ARG A 3 -10.134 10.403 -0.905 1.00 1.00 C ATOM 29 C ARG A 3 -9.065 9.332 -1.050 1.00 1.00 C ATOM 30 O ARG A 3 -9.291 8.212 -0.608 1.00 1.00 O ATOM 31 CB ARG A 3 -10.833 10.588 -2.254 1.00 1.00 C ATOM 32 CG ARG A 3 -12.122 11.425 -2.212 1.00 1.00 C ATOM 33 CD ARG A 3 -11.910 12.888 -2.624 1.00 1.00 C ATOM 34 NE ARG A 3 -12.946 13.753 -2.038 1.00 1.00 N ATOM 35 CZ ARG A 3 -12.868 14.411 -0.876 1.00 1.00 C ATOM 36 NH1 ARG A 3 -11.696 14.625 -0.281 1.00 1.00 N ATOM 37 NH2 ARG A 3 -13.985 14.843 -0.308 1.00 1.00 N ATOM 0 H ARG A 3 -9.869 12.495 -0.910 1.00 1.00 H new ATOM 0 HA ARG A 3 -10.862 10.068 -0.166 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -10.135 11.059 -2.946 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.070 9.605 -2.661 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.862 10.973 -2.872 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -12.534 11.395 -1.203 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -10.925 13.222 -2.299 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -11.933 12.971 -3.711 1.00 1.00 H new ATOM 0 HE ARG A 3 -13.809 13.862 -2.571 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -10.836 14.285 -0.711 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -11.658 15.129 0.605 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -14.885 14.672 -0.757 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -13.945 15.347 0.578 1.00 1.00 H new ATOM 51 N ALA A 4 -7.909 9.674 -1.630 1.00 1.00 N ATOM 52 CA ALA A 4 -6.793 8.738 -1.748 1.00 1.00 C ATOM 53 C ALA A 4 -6.440 8.169 -0.380 1.00 1.00 C ATOM 54 O ALA A 4 -6.351 6.960 -0.201 1.00 1.00 O ATOM 55 CB ALA A 4 -5.570 9.428 -2.370 1.00 1.00 C ATOM 0 H ALA A 4 -7.725 10.596 -2.025 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.095 7.921 -2.403 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.750 8.714 -2.449 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.826 9.797 -3.363 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.264 10.263 -1.740 1.00 1.00 H new ATOM 61 N ARG A 5 -6.241 9.057 0.589 1.00 1.00 N ATOM 62 CA ARG A 5 -5.823 8.694 1.927 1.00 1.00 C ATOM 63 C ARG A 5 -6.885 7.843 2.597 1.00 1.00 C ATOM 64 O ARG A 5 -6.588 6.761 3.085 1.00 1.00 O ATOM 65 CB ARG A 5 -5.567 9.941 2.788 1.00 1.00 C ATOM 66 CG ARG A 5 -4.860 11.081 2.061 1.00 1.00 C ATOM 67 CD ARG A 5 -4.133 11.909 3.121 1.00 1.00 C ATOM 68 NE ARG A 5 -3.582 13.119 2.525 1.00 1.00 N ATOM 69 CZ ARG A 5 -2.322 13.542 2.625 1.00 1.00 C ATOM 70 NH1 ARG A 5 -1.468 13.037 3.513 1.00 1.00 N ATOM 71 NH2 ARG A 5 -1.916 14.467 1.772 1.00 1.00 N ATOM 0 H ARG A 5 -6.369 10.061 0.459 1.00 1.00 H new ATOM 0 HA ARG A 5 -4.895 8.129 1.839 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.521 10.306 3.168 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -4.969 9.653 3.653 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.155 10.691 1.327 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.578 11.696 1.518 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -4.822 12.172 3.923 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -3.333 11.319 3.568 1.00 1.00 H new ATOM 0 HE ARG A 5 -4.221 13.697 1.979 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -1.770 12.299 4.149 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -0.511 13.388 3.558 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -2.560 14.831 1.070 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -0.959 14.817 1.816 1.00 1.00 H new ATOM 85 N ASP A 6 -8.126 8.319 2.600 1.00 1.00 N ATOM 86 CA ASP A 6 -9.212 7.668 3.307 1.00 1.00 C ATOM 87 C ASP A 6 -9.453 6.275 2.748 1.00 1.00 C ATOM 88 O ASP A 6 -9.692 5.354 3.528 1.00 1.00 O ATOM 89 CB ASP A 6 -10.466 8.551 3.286 1.00 1.00 C ATOM 90 CG ASP A 6 -10.316 9.746 4.231 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.353 9.550 5.465 1.00 1.00 O ATOM 92 OD2 ASP A 6 -10.164 10.894 3.754 1.00 1.00 O ATOM 0 H ASP A 6 -8.403 9.169 2.110 1.00 1.00 H new ATOM 0 HA ASP A 6 -8.938 7.538 4.354 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.647 8.906 2.272 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.335 7.961 3.577 1.00 1.00 H new ATOM 97 N ALA A 7 -9.318 6.110 1.429 1.00 1.00 N ATOM 98 CA ALA A 7 -9.418 4.834 0.744 1.00 1.00 C ATOM 99 C ALA A 7 -8.267 3.894 1.112 1.00 1.00 C ATOM 100 O ALA A 7 -8.531 2.720 1.377 1.00 1.00 O ATOM 101 CB ALA A 7 -9.455 5.083 -0.767 1.00 1.00 C ATOM 0 H ALA A 7 -9.131 6.888 0.797 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.337 4.341 1.060 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.530 4.130 -1.291 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.318 5.701 -1.013 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.543 5.595 -1.074 1.00 1.00 H new ATOM 107 N ILE A 8 -7.012 4.371 1.115 1.00 1.00 N ATOM 108 CA ILE A 8 -5.858 3.572 1.538 1.00 1.00 C ATOM 109 C ILE A 8 -6.116 3.133 2.988 1.00 1.00 C ATOM 110 O ILE A 8 -6.021 1.944 3.273 1.00 1.00 O ATOM 111 CB ILE A 8 -4.516 4.334 1.335 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.257 4.641 -0.162 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.285 3.589 1.872 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.337 5.853 -0.367 1.00 1.00 C ATOM 0 H ILE A 8 -6.772 5.319 0.825 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.748 2.684 0.916 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.642 5.252 1.909 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.811 3.767 -0.636 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.209 4.824 -0.661 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.391 4.186 1.692 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.400 3.421 2.943 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.189 2.630 1.363 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.190 6.022 -1.434 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.793 6.736 0.081 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.374 5.663 0.106 1.00 1.00 H new ATOM 126 N LEU A 9 -6.510 4.039 3.886 1.00 1.00 N ATOM 127 CA LEU A 9 -6.769 3.719 5.288 1.00 1.00 C ATOM 128 C LEU A 9 -7.836 2.636 5.401 1.00 1.00 C ATOM 129 O LEU A 9 -7.612 1.631 6.076 1.00 1.00 O ATOM 130 CB LEU A 9 -7.152 4.998 6.053 1.00 1.00 C ATOM 131 CG LEU A 9 -7.213 4.904 7.592 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.501 4.283 8.138 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.004 4.189 8.196 1.00 1.00 C ATOM 0 H LEU A 9 -6.659 5.022 3.657 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.863 3.320 5.744 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.436 5.777 5.790 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.128 5.327 5.695 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.199 5.947 7.907 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.459 4.256 9.227 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.356 4.882 7.823 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.607 3.268 7.754 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.106 4.155 9.281 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -5.949 3.173 7.805 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.094 4.728 7.934 1.00 1.00 H new ATOM 145 N ASP A 10 -8.968 2.815 4.713 1.00 1.00 N ATOM 146 CA ASP A 10 -10.061 1.847 4.689 1.00 1.00 C ATOM 147 C ASP A 10 -9.538 0.472 4.264 1.00 1.00 C ATOM 148 O ASP A 10 -9.844 -0.540 4.903 1.00 1.00 O ATOM 149 CB ASP A 10 -11.182 2.283 3.723 1.00 1.00 C ATOM 150 CG ASP A 10 -12.155 3.315 4.288 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.774 3.051 5.347 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.475 4.319 3.614 1.00 1.00 O ATOM 0 H ASP A 10 -9.150 3.647 4.152 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.474 1.793 5.696 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.726 2.692 2.821 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.746 1.400 3.423 1.00 1.00 H new ATOM 157 N ALA A 11 -8.753 0.435 3.185 1.00 1.00 N ATOM 158 CA ALA A 11 -8.148 -0.764 2.633 1.00 1.00 C ATOM 159 C ALA A 11 -7.228 -1.436 3.652 1.00 1.00 C ATOM 160 O ALA A 11 -7.476 -2.582 4.016 1.00 1.00 O ATOM 161 CB ALA A 11 -7.418 -0.415 1.333 1.00 1.00 C ATOM 0 H ALA A 11 -8.517 1.275 2.657 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.929 -1.488 2.400 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.964 -1.315 0.918 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -8.128 -0.004 0.616 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.642 0.322 1.538 1.00 1.00 H new ATOM 167 N LEU A 12 -6.185 -0.745 4.123 1.00 1.00 N ATOM 168 CA LEU A 12 -5.228 -1.285 5.088 1.00 1.00 C ATOM 169 C LEU A 12 -5.908 -1.842 6.333 1.00 1.00 C ATOM 170 O LEU A 12 -5.513 -2.897 6.821 1.00 1.00 O ATOM 171 CB LEU A 12 -4.157 -0.272 5.504 1.00 1.00 C ATOM 172 CG LEU A 12 -2.954 -0.070 4.599 1.00 1.00 C ATOM 173 CD1 LEU A 12 -2.081 -1.322 4.536 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.323 0.362 3.206 1.00 1.00 C ATOM 0 H LEU A 12 -5.981 0.214 3.841 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.735 -2.102 4.561 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.646 0.695 5.625 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.786 -0.567 6.486 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.385 0.742 5.052 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -1.230 -1.140 3.879 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -1.722 -1.566 5.536 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.667 -2.155 4.148 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.418 0.488 2.612 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -3.956 -0.396 2.746 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.863 1.308 3.249 1.00 1.00 H new ATOM 186 N GLU A 13 -6.910 -1.148 6.858 1.00 1.00 N ATOM 187 CA GLU A 13 -7.692 -1.618 7.988 1.00 1.00 C ATOM 188 C GLU A 13 -8.468 -2.892 7.642 1.00 1.00 C ATOM 189 O GLU A 13 -8.495 -3.812 8.461 1.00 1.00 O ATOM 190 CB GLU A 13 -8.565 -0.495 8.552 1.00 1.00 C ATOM 191 CG GLU A 13 -7.692 0.533 9.297 1.00 1.00 C ATOM 192 CD GLU A 13 -8.437 1.332 10.367 1.00 1.00 C ATOM 193 OE1 GLU A 13 -9.638 1.651 10.205 1.00 1.00 O ATOM 194 OE2 GLU A 13 -7.827 1.654 11.419 1.00 1.00 O ATOM 0 H GLU A 13 -7.203 -0.236 6.507 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.012 -1.903 8.790 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.107 -0.005 7.743 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.311 -0.910 9.230 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -6.857 0.012 9.765 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -7.268 1.227 8.571 1.00 1.00 H new ATOM 201 N ASN A 14 -9.105 -2.974 6.465 1.00 1.00 N ATOM 202 CA ASN A 14 -9.776 -4.186 6.004 1.00 1.00 C ATOM 203 C ASN A 14 -8.828 -5.378 5.838 1.00 1.00 C ATOM 204 O ASN A 14 -9.313 -6.513 5.778 1.00 1.00 O ATOM 205 CB ASN A 14 -10.512 -3.943 4.676 1.00 1.00 C ATOM 206 CG ASN A 14 -11.879 -3.294 4.824 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.777 -3.868 5.434 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.078 -2.132 4.226 1.00 1.00 N ATOM 0 H ASN A 14 -9.166 -2.196 5.808 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.492 -4.437 6.787 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -9.891 -3.312 4.041 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.630 -4.896 4.160 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -12.996 -1.689 4.264 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.313 -1.678 3.726 1.00 1.00 H new ATOM 215 N LEU A 15 -7.508 -5.178 5.775 1.00 1.00 N ATOM 216 CA LEU A 15 -6.562 -6.266 5.609 1.00 1.00 C ATOM 217 C LEU A 15 -6.272 -6.886 6.968 1.00 1.00 C ATOM 218 O LEU A 15 -6.339 -6.232 8.012 1.00 1.00 O ATOM 219 CB LEU A 15 -5.247 -5.738 5.019 1.00 1.00 C ATOM 220 CG LEU A 15 -5.313 -5.289 3.553 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.936 -4.881 3.029 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.835 -6.408 2.657 1.00 1.00 C ATOM 0 H LEU A 15 -7.074 -4.257 5.838 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.990 -7.008 4.935 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.910 -4.896 5.624 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.490 -6.517 5.108 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.990 -4.435 3.525 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -4.021 -4.569 1.988 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.550 -4.054 3.625 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.254 -5.729 3.099 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.871 -6.061 1.624 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.171 -7.270 2.727 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.836 -6.694 2.978 1.00 1.00 H new ATOM 234 N THR A 16 -5.931 -8.168 6.958 1.00 1.00 N ATOM 235 CA THR A 16 -5.592 -8.924 8.150 1.00 1.00 C ATOM 236 C THR A 16 -4.080 -8.891 8.349 1.00 1.00 C ATOM 237 O THR A 16 -3.343 -8.479 7.453 1.00 1.00 O ATOM 238 CB THR A 16 -6.133 -10.360 8.021 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.607 -11.019 6.882 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.661 -10.405 7.930 1.00 1.00 C ATOM 0 H THR A 16 -5.882 -8.720 6.102 1.00 1.00 H new ATOM 0 HA THR A 16 -6.055 -8.480 9.031 1.00 1.00 H new ATOM 0 HB THR A 16 -5.812 -10.870 8.929 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.175 -10.834 6.105 1.00 1.00 H new ATOM 0 HG21 THR A 16 -7.990 -11.440 7.840 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.092 -9.964 8.829 1.00 1.00 H new ATOM 0 HG23 THR A 16 -7.990 -9.843 7.056 1.00 1.00 H new ATOM 248 N ALA A 17 -3.594 -9.331 9.511 1.00 1.00 N ATOM 249 CA ALA A 17 -2.176 -9.266 9.833 1.00 1.00 C ATOM 250 C ALA A 17 -1.330 -10.038 8.818 1.00 1.00 C ATOM 251 O ALA A 17 -0.256 -9.562 8.460 1.00 1.00 O ATOM 252 CB ALA A 17 -1.942 -9.773 11.255 1.00 1.00 C ATOM 0 H ALA A 17 -4.171 -9.739 10.247 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.859 -8.225 9.778 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -0.879 -9.722 11.489 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.499 -9.154 11.958 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.281 -10.806 11.333 1.00 1.00 H new ATOM 258 N GLU A 18 -1.793 -11.187 8.320 1.00 1.00 N ATOM 259 CA GLU A 18 -1.043 -11.951 7.328 1.00 1.00 C ATOM 260 C GLU A 18 -1.049 -11.254 5.965 1.00 1.00 C ATOM 261 O GLU A 18 -0.037 -11.257 5.267 1.00 1.00 O ATOM 262 CB GLU A 18 -1.606 -13.369 7.230 1.00 1.00 C ATOM 263 CG GLU A 18 -0.776 -14.248 6.283 1.00 1.00 C ATOM 264 CD GLU A 18 -0.934 -15.728 6.617 1.00 1.00 C ATOM 265 OE1 GLU A 18 -2.080 -16.235 6.684 1.00 1.00 O ATOM 266 OE2 GLU A 18 0.104 -16.379 6.887 1.00 1.00 O ATOM 0 H GLU A 18 -2.683 -11.606 8.589 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.003 -12.011 7.650 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.626 -13.821 8.222 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -2.637 -13.327 6.878 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.087 -14.071 5.253 1.00 1.00 H new ATOM 0 HG3 GLU A 18 0.275 -13.968 6.352 1.00 1.00 H new ATOM 273 N GLU A 19 -2.162 -10.629 5.576 1.00 1.00 N ATOM 274 CA GLU A 19 -2.192 -9.858 4.340 1.00 1.00 C ATOM 275 C GLU A 19 -1.239 -8.673 4.495 1.00 1.00 C ATOM 276 O GLU A 19 -0.398 -8.454 3.631 1.00 1.00 O ATOM 277 CB GLU A 19 -3.611 -9.396 4.007 1.00 1.00 C ATOM 278 CG GLU A 19 -4.532 -10.568 3.639 1.00 1.00 C ATOM 279 CD GLU A 19 -6.000 -10.150 3.650 1.00 1.00 C ATOM 280 OE1 GLU A 19 -6.494 -9.751 4.730 1.00 1.00 O ATOM 281 OE2 GLU A 19 -6.689 -10.250 2.610 1.00 1.00 O ATOM 0 H GLU A 19 -3.041 -10.643 6.093 1.00 1.00 H new ATOM 0 HA GLU A 19 -1.869 -10.482 3.507 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.028 -8.863 4.862 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.576 -8.690 3.178 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.267 -10.944 2.651 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.380 -11.386 4.343 1.00 1.00 H new ATOM 288 N LEU A 20 -1.295 -7.955 5.620 1.00 1.00 N ATOM 289 CA LEU A 20 -0.386 -6.854 5.904 1.00 1.00 C ATOM 290 C LEU A 20 1.063 -7.321 5.937 1.00 1.00 C ATOM 291 O LEU A 20 1.921 -6.610 5.430 1.00 1.00 O ATOM 292 CB LEU A 20 -0.767 -6.111 7.201 1.00 1.00 C ATOM 293 CG LEU A 20 -2.075 -5.292 7.121 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.240 -4.383 8.338 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.064 -4.369 5.908 1.00 1.00 C ATOM 0 H LEU A 20 -1.977 -8.126 6.359 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.484 -6.141 5.085 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -0.860 -6.840 8.006 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.049 -5.440 7.471 1.00 1.00 H new ATOM 0 HG LEU A 20 -2.884 -6.020 7.064 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.170 -3.822 8.249 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.267 -4.989 9.244 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.401 -3.689 8.390 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -2.995 -3.803 5.873 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.223 -3.680 5.983 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.966 -4.963 4.999 1.00 1.00 H new ATOM 307 N LYS A 21 1.358 -8.518 6.447 1.00 1.00 N ATOM 308 CA LYS A 21 2.701 -9.091 6.426 1.00 1.00 C ATOM 309 C LYS A 21 3.170 -9.152 4.979 1.00 1.00 C ATOM 310 O LYS A 21 4.200 -8.583 4.618 1.00 1.00 O ATOM 311 CB LYS A 21 2.661 -10.497 7.047 1.00 1.00 C ATOM 312 CG LYS A 21 4.049 -11.142 7.176 1.00 1.00 C ATOM 313 CD LYS A 21 3.973 -12.603 7.642 1.00 1.00 C ATOM 314 CE LYS A 21 3.519 -12.716 9.099 1.00 1.00 C ATOM 315 NZ LYS A 21 3.424 -14.124 9.537 1.00 1.00 N ATOM 0 H LYS A 21 0.664 -9.121 6.890 1.00 1.00 H new ATOM 0 HA LYS A 21 3.394 -8.480 7.004 1.00 1.00 H new ATOM 0 HB2 LYS A 21 2.202 -10.438 8.034 1.00 1.00 H new ATOM 0 HB3 LYS A 21 2.025 -11.138 6.437 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.559 -11.096 6.214 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.649 -10.569 7.883 1.00 1.00 H new ATOM 0 HD2 LYS A 21 3.281 -13.152 7.003 1.00 1.00 H new ATOM 0 HD3 LYS A 21 4.951 -13.071 7.529 1.00 1.00 H new ATOM 0 HE2 LYS A 21 4.220 -12.182 9.741 1.00 1.00 H new ATOM 0 HE3 LYS A 21 2.549 -12.233 9.216 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 3.114 -14.159 10.529 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 2.736 -14.627 8.941 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 4.355 -14.578 9.450 1.00 1.00 H new ATOM 329 N LYS A 22 2.408 -9.862 4.146 1.00 1.00 N ATOM 330 CA LYS A 22 2.765 -10.105 2.762 1.00 1.00 C ATOM 331 C LYS A 22 2.802 -8.798 1.968 1.00 1.00 C ATOM 332 O LYS A 22 3.681 -8.672 1.119 1.00 1.00 O ATOM 333 CB LYS A 22 1.812 -11.159 2.172 1.00 1.00 C ATOM 334 CG LYS A 22 1.927 -12.560 2.815 1.00 1.00 C ATOM 335 CD LYS A 22 3.273 -13.274 2.610 1.00 1.00 C ATOM 336 CE LYS A 22 3.456 -13.768 1.171 1.00 1.00 C ATOM 337 NZ LYS A 22 2.985 -15.156 0.997 1.00 1.00 N ATOM 0 H LYS A 22 1.521 -10.284 4.422 1.00 1.00 H new ATOM 0 HA LYS A 22 3.775 -10.510 2.699 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.787 -10.806 2.283 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.005 -11.247 1.103 1.00 1.00 H new ATOM 0 HG2 LYS A 22 1.745 -12.465 3.886 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.135 -13.192 2.412 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.085 -12.593 2.864 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.341 -14.120 3.294 1.00 1.00 H new ATOM 0 HE2 LYS A 22 2.911 -13.113 0.491 1.00 1.00 H new ATOM 0 HE3 LYS A 22 4.509 -13.706 0.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.127 -15.450 0.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.522 -15.786 1.627 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 1.973 -15.211 1.232 1.00 1.00 H new ATOM 351 N PHE A 23 1.934 -7.827 2.260 1.00 1.00 N ATOM 352 CA PHE A 23 1.904 -6.496 1.660 1.00 1.00 C ATOM 353 C PHE A 23 3.166 -5.725 2.007 1.00 1.00 C ATOM 354 O PHE A 23 3.903 -5.302 1.122 1.00 1.00 O ATOM 355 CB PHE A 23 0.675 -5.728 2.166 1.00 1.00 C ATOM 356 CG PHE A 23 0.558 -4.299 1.662 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.137 -4.041 0.345 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.846 -3.220 2.521 1.00 1.00 C ATOM 359 CE1 PHE A 23 -0.038 -2.718 -0.099 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.659 -1.901 2.077 1.00 1.00 C ATOM 361 CZ PHE A 23 0.215 -1.645 0.769 1.00 1.00 C ATOM 0 H PHE A 23 1.199 -7.956 2.955 1.00 1.00 H new ATOM 0 HA PHE A 23 1.847 -6.604 0.577 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.222 -6.275 1.874 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.698 -5.712 3.256 1.00 1.00 H new ATOM 0 HD1 PHE A 23 -0.053 -4.863 -0.329 1.00 1.00 H new ATOM 0 HD2 PHE A 23 1.210 -3.407 3.520 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -0.368 -2.528 -1.110 1.00 1.00 H new ATOM 0 HE2 PHE A 23 0.858 -1.077 2.746 1.00 1.00 H new ATOM 0 HZ PHE A 23 0.069 -0.629 0.434 1.00 1.00 H new ATOM 371 N LYS A 24 3.433 -5.542 3.298 1.00 1.00 N ATOM 372 CA LYS A 24 4.587 -4.822 3.802 1.00 1.00 C ATOM 373 C LYS A 24 5.882 -5.452 3.282 1.00 1.00 C ATOM 374 O LYS A 24 6.847 -4.740 3.017 1.00 1.00 O ATOM 375 CB LYS A 24 4.491 -4.775 5.329 1.00 1.00 C ATOM 376 CG LYS A 24 3.329 -3.898 5.859 1.00 1.00 C ATOM 377 CD LYS A 24 3.206 -4.044 7.384 1.00 1.00 C ATOM 378 CE LYS A 24 2.148 -3.155 8.046 1.00 1.00 C ATOM 379 NZ LYS A 24 2.291 -3.164 9.519 1.00 1.00 N ATOM 0 H LYS A 24 2.832 -5.903 4.039 1.00 1.00 H new ATOM 0 HA LYS A 24 4.602 -3.795 3.438 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.368 -5.790 5.707 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.431 -4.397 5.731 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.504 -2.854 5.599 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.394 -4.193 5.382 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.978 -5.085 7.615 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.174 -3.823 7.832 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.242 -2.135 7.675 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.152 -3.504 7.772 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.352 -3.241 9.959 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 2.875 -3.975 9.806 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.747 -2.282 9.829 1.00 1.00 H new ATOM 393 N LEU A 25 5.925 -6.776 3.112 1.00 1.00 N ATOM 394 CA LEU A 25 7.067 -7.456 2.510 1.00 1.00 C ATOM 395 C LEU A 25 7.097 -7.147 1.020 1.00 1.00 C ATOM 396 O LEU A 25 8.168 -6.804 0.528 1.00 1.00 O ATOM 397 CB LEU A 25 6.973 -8.977 2.715 1.00 1.00 C ATOM 398 CG LEU A 25 7.382 -9.430 4.125 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.788 -10.806 4.422 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.906 -9.525 4.257 1.00 1.00 C ATOM 0 H LEU A 25 5.169 -7.403 3.388 1.00 1.00 H new ATOM 0 HA LEU A 25 7.979 -7.102 2.989 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.950 -9.300 2.520 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.609 -9.475 1.983 1.00 1.00 H new ATOM 0 HG LEU A 25 7.006 -8.690 4.831 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.082 -11.121 5.423 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.701 -10.753 4.363 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.157 -11.527 3.692 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.164 -9.848 5.266 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.289 -10.247 3.536 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.350 -8.548 4.064 1.00 1.00 H new ATOM 412 N LYS A 26 5.973 -7.254 0.299 1.00 1.00 N ATOM 413 CA LYS A 26 5.891 -6.940 -1.127 1.00 1.00 C ATOM 414 C LYS A 26 6.400 -5.539 -1.419 1.00 1.00 C ATOM 415 O LYS A 26 7.214 -5.394 -2.331 1.00 1.00 O ATOM 416 CB LYS A 26 4.473 -7.143 -1.691 1.00 1.00 C ATOM 417 CG LYS A 26 4.169 -8.613 -2.025 1.00 1.00 C ATOM 418 CD LYS A 26 4.417 -8.955 -3.504 1.00 1.00 C ATOM 419 CE LYS A 26 5.858 -8.645 -3.930 1.00 1.00 C ATOM 420 NZ LYS A 26 6.079 -8.882 -5.362 1.00 1.00 N ATOM 0 H LYS A 26 5.087 -7.565 0.697 1.00 1.00 H new ATOM 0 HA LYS A 26 6.543 -7.648 -1.639 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.744 -6.782 -0.966 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.355 -6.539 -2.591 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.787 -9.258 -1.400 1.00 1.00 H new ATOM 0 HG3 LYS A 26 3.130 -8.829 -1.777 1.00 1.00 H new ATOM 0 HD2 LYS A 26 4.208 -10.012 -3.672 1.00 1.00 H new ATOM 0 HD3 LYS A 26 3.725 -8.390 -4.128 1.00 1.00 H new ATOM 0 HE2 LYS A 26 6.088 -7.605 -3.696 1.00 1.00 H new ATOM 0 HE3 LYS A 26 6.546 -9.261 -3.352 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 7.007 -8.502 -5.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 6.052 -9.904 -5.553 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 5.334 -8.408 -5.911 1.00 1.00 H new ATOM 434 N LEU A 27 5.992 -4.554 -0.614 1.00 1.00 N ATOM 435 CA LEU A 27 6.419 -3.160 -0.697 1.00 1.00 C ATOM 436 C LEU A 27 7.935 -3.025 -0.737 1.00 1.00 C ATOM 437 O LEU A 27 8.432 -2.068 -1.327 1.00 1.00 O ATOM 438 CB LEU A 27 5.896 -2.357 0.512 1.00 1.00 C ATOM 439 CG LEU A 27 4.437 -1.893 0.421 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.963 -1.270 1.738 1.00 1.00 C ATOM 441 CD2 LEU A 27 4.278 -0.809 -0.637 1.00 1.00 C ATOM 0 H LEU A 27 5.328 -4.716 0.143 1.00 1.00 H new ATOM 0 HA LEU A 27 6.004 -2.766 -1.625 1.00 1.00 H new ATOM 0 HB2 LEU A 27 6.008 -2.969 1.407 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.529 -1.480 0.644 1.00 1.00 H new ATOM 0 HG LEU A 27 3.853 -2.780 0.177 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.925 -0.952 1.638 1.00 1.00 H new ATOM 0 HD12 LEU A 27 4.041 -2.006 2.538 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.585 -0.407 1.977 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.235 -0.496 -0.683 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.902 0.046 -0.378 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.583 -1.200 -1.608 1.00 1.00 H new ATOM 453 N LEU A 28 8.670 -3.969 -0.144 1.00 1.00 N ATOM 454 CA LEU A 28 10.124 -3.949 -0.085 1.00 1.00 C ATOM 455 C LEU A 28 10.692 -5.279 -0.596 1.00 1.00 C ATOM 456 O LEU A 28 11.709 -5.773 -0.102 1.00 1.00 O ATOM 457 CB LEU A 28 10.546 -3.588 1.349 1.00 1.00 C ATOM 458 CG LEU A 28 11.983 -3.013 1.496 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.861 -3.792 2.472 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.763 -2.707 0.202 1.00 1.00 C ATOM 0 H LEU A 28 8.259 -4.781 0.315 1.00 1.00 H new ATOM 0 HA LEU A 28 10.542 -3.188 -0.744 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.839 -2.859 1.745 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.465 -4.481 1.969 1.00 1.00 H new ATOM 0 HG LEU A 28 11.758 -2.034 1.919 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.848 -3.331 2.521 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.405 -3.779 3.462 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.958 -4.823 2.131 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.747 -2.313 0.455 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.877 -3.622 -0.379 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.217 -1.970 -0.386 1.00 1.00 H new ATOM 472 N SER A 29 10.006 -5.895 -1.559 1.00 1.00 N ATOM 473 CA SER A 29 10.398 -7.121 -2.230 1.00 1.00 C ATOM 474 C SER A 29 10.542 -6.766 -3.698 1.00 1.00 C ATOM 475 O SER A 29 11.666 -6.797 -4.204 1.00 1.00 O ATOM 476 CB SER A 29 9.373 -8.230 -1.970 1.00 1.00 C ATOM 477 OG SER A 29 9.648 -9.401 -2.707 1.00 1.00 O ATOM 0 H SER A 29 9.119 -5.529 -1.905 1.00 1.00 H new ATOM 0 HA SER A 29 11.341 -7.518 -1.855 1.00 1.00 H new ATOM 0 HB2 SER A 29 9.361 -8.468 -0.906 1.00 1.00 H new ATOM 0 HB3 SER A 29 8.377 -7.868 -2.227 1.00 1.00 H new ATOM 0 HG SER A 29 8.970 -10.080 -2.508 1.00 1.00 H new ATOM 483 N VAL A 30 9.451 -6.408 -4.385 1.00 1.00 N ATOM 484 CA VAL A 30 9.544 -5.952 -5.764 1.00 1.00 C ATOM 485 C VAL A 30 10.333 -4.634 -5.737 1.00 1.00 C ATOM 486 O VAL A 30 9.940 -3.721 -5.003 1.00 1.00 O ATOM 487 CB VAL A 30 8.159 -5.860 -6.445 1.00 1.00 C ATOM 488 CG1 VAL A 30 7.057 -5.175 -5.623 1.00 1.00 C ATOM 489 CG2 VAL A 30 8.265 -5.182 -7.818 1.00 1.00 C ATOM 0 H VAL A 30 8.504 -6.427 -4.007 1.00 1.00 H new ATOM 0 HA VAL A 30 10.075 -6.671 -6.388 1.00 1.00 H new ATOM 0 HB VAL A 30 7.848 -6.900 -6.547 1.00 1.00 H new ATOM 0 HG11 VAL A 30 6.129 -5.165 -6.195 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.904 -5.722 -4.693 1.00 1.00 H new ATOM 0 HG13 VAL A 30 7.355 -4.151 -5.397 1.00 1.00 H new ATOM 0 HG21 VAL A 30 7.277 -5.130 -8.275 1.00 1.00 H new ATOM 0 HG22 VAL A 30 8.662 -4.174 -7.696 1.00 1.00 H new ATOM 0 HG23 VAL A 30 8.931 -5.760 -8.459 1.00 1.00 H new ATOM 499 N PRO A 31 11.467 -4.525 -6.450 1.00 1.00 N ATOM 500 CA PRO A 31 12.259 -3.310 -6.470 1.00 1.00 C ATOM 501 C PRO A 31 11.434 -2.211 -7.141 1.00 1.00 C ATOM 502 O PRO A 31 11.041 -2.331 -8.307 1.00 1.00 O ATOM 503 CB PRO A 31 13.540 -3.664 -7.230 1.00 1.00 C ATOM 504 CG PRO A 31 13.116 -4.815 -8.132 1.00 1.00 C ATOM 505 CD PRO A 31 12.080 -5.543 -7.288 1.00 1.00 C ATOM 0 HA PRO A 31 12.526 -2.934 -5.482 1.00 1.00 H new ATOM 0 HB2 PRO A 31 13.910 -2.817 -7.808 1.00 1.00 H new ATOM 0 HB3 PRO A 31 14.340 -3.960 -6.551 1.00 1.00 H new ATOM 0 HG2 PRO A 31 12.694 -4.458 -9.071 1.00 1.00 H new ATOM 0 HG3 PRO A 31 13.957 -5.461 -8.386 1.00 1.00 H new ATOM 0 HD2 PRO A 31 11.336 -6.032 -7.917 1.00 1.00 H new ATOM 0 HD3 PRO A 31 12.545 -6.320 -6.682 1.00 1.00 H new ATOM 513 N LEU A 32 11.164 -1.138 -6.406 1.00 1.00 N ATOM 514 CA LEU A 32 10.303 -0.052 -6.857 1.00 1.00 C ATOM 515 C LEU A 32 11.124 0.921 -7.723 1.00 1.00 C ATOM 516 O LEU A 32 12.333 0.747 -7.903 1.00 1.00 O ATOM 517 CB LEU A 32 9.693 0.601 -5.613 1.00 1.00 C ATOM 518 CG LEU A 32 8.535 1.564 -5.930 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.253 1.135 -5.220 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.947 2.978 -5.525 1.00 1.00 C ATOM 0 H LEU A 32 11.542 -0.997 -5.469 1.00 1.00 H new ATOM 0 HA LEU A 32 9.486 -0.405 -7.487 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.333 -0.179 -4.942 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.472 1.145 -5.079 1.00 1.00 H new ATOM 0 HG LEU A 32 8.326 1.542 -7.000 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.452 1.833 -5.462 1.00 1.00 H new ATOM 0 HD12 LEU A 32 6.973 0.134 -5.548 1.00 1.00 H new ATOM 0 HD13 LEU A 32 7.418 1.131 -4.143 1.00 1.00 H new ATOM 0 HD21 LEU A 32 8.135 3.671 -5.745 1.00 1.00 H new ATOM 0 HD22 LEU A 32 9.165 3.002 -4.457 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.836 3.272 -6.084 1.00 1.00 H new ATOM 532 N ARG A 33 10.472 1.937 -8.287 1.00 1.00 N ATOM 533 CA ARG A 33 11.077 2.878 -9.215 1.00 1.00 C ATOM 534 C ARG A 33 12.003 3.836 -8.475 1.00 1.00 C ATOM 535 O ARG A 33 11.761 4.214 -7.331 1.00 1.00 O ATOM 536 CB ARG A 33 9.973 3.710 -9.890 1.00 1.00 C ATOM 537 CG ARG A 33 9.066 2.898 -10.822 1.00 1.00 C ATOM 538 CD ARG A 33 8.091 3.833 -11.547 1.00 1.00 C ATOM 539 NE ARG A 33 7.238 3.091 -12.487 1.00 1.00 N ATOM 540 CZ ARG A 33 7.207 3.178 -13.822 1.00 1.00 C ATOM 541 NH1 ARG A 33 7.929 4.067 -14.499 1.00 1.00 N ATOM 542 NH2 ARG A 33 6.432 2.331 -14.484 1.00 1.00 N ATOM 0 H ARG A 33 9.487 2.129 -8.104 1.00 1.00 H new ATOM 0 HA ARG A 33 11.645 2.314 -9.955 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.360 4.177 -9.119 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.436 4.515 -10.460 1.00 1.00 H new ATOM 0 HG2 ARG A 33 9.670 2.354 -11.548 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.512 2.155 -10.248 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.468 4.349 -10.817 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.650 4.598 -12.086 1.00 1.00 H new ATOM 0 HE ARG A 33 6.588 2.426 -12.069 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.536 4.717 -14.000 1.00 1.00 H new ATOM 0 HH12 ARG A 33 7.875 4.099 -15.517 1.00 1.00 H new ATOM 0 HH21 ARG A 33 5.882 1.639 -13.975 1.00 1.00 H new ATOM 0 HH22 ARG A 33 6.386 2.371 -15.502 1.00 1.00 H new ATOM 556 N GLU A 34 13.034 4.283 -9.177 1.00 1.00 N ATOM 557 CA GLU A 34 13.974 5.282 -8.707 1.00 1.00 C ATOM 558 C GLU A 34 13.313 6.627 -8.993 1.00 1.00 C ATOM 559 O GLU A 34 12.603 6.768 -9.992 1.00 1.00 O ATOM 560 CB GLU A 34 15.281 5.088 -9.483 1.00 1.00 C ATOM 561 CG GLU A 34 16.393 6.102 -9.179 1.00 1.00 C ATOM 562 CD GLU A 34 16.339 7.402 -9.987 1.00 1.00 C ATOM 563 OE1 GLU A 34 16.055 7.366 -11.207 1.00 1.00 O ATOM 564 OE2 GLU A 34 16.721 8.453 -9.425 1.00 1.00 O ATOM 0 H GLU A 34 13.243 3.948 -10.118 1.00 1.00 H new ATOM 0 HA GLU A 34 14.212 5.213 -7.646 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.660 4.087 -9.275 1.00 1.00 H new ATOM 0 HB3 GLU A 34 15.058 5.129 -10.549 1.00 1.00 H new ATOM 0 HG2 GLU A 34 16.353 6.352 -8.119 1.00 1.00 H new ATOM 0 HG3 GLU A 34 17.356 5.623 -9.358 1.00 1.00 H new ATOM 571 N GLY A 35 13.503 7.592 -8.097 1.00 1.00 N ATOM 572 CA GLY A 35 12.864 8.901 -8.149 1.00 1.00 C ATOM 573 C GLY A 35 11.690 8.994 -7.170 1.00 1.00 C ATOM 574 O GLY A 35 11.371 10.095 -6.713 1.00 1.00 O ATOM 0 H GLY A 35 14.122 7.481 -7.294 1.00 1.00 H new ATOM 0 HA2 GLY A 35 13.596 9.674 -7.914 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.510 9.094 -9.162 1.00 1.00 H new ATOM 578 N TYR A 36 11.058 7.871 -6.814 1.00 1.00 N ATOM 579 CA TYR A 36 10.003 7.798 -5.807 1.00 1.00 C ATOM 580 C TYR A 36 10.603 7.229 -4.523 1.00 1.00 C ATOM 581 O TYR A 36 11.774 6.833 -4.482 1.00 1.00 O ATOM 582 CB TYR A 36 8.794 6.985 -6.319 1.00 1.00 C ATOM 583 CG TYR A 36 7.798 7.694 -7.238 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.641 9.099 -7.238 1.00 1.00 C ATOM 585 CD2 TYR A 36 6.959 6.915 -8.063 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.704 9.718 -8.082 1.00 1.00 C ATOM 587 CE2 TYR A 36 5.999 7.527 -8.889 1.00 1.00 C ATOM 588 CZ TYR A 36 5.877 8.934 -8.913 1.00 1.00 C ATOM 589 OH TYR A 36 4.984 9.521 -9.759 1.00 1.00 O ATOM 0 H TYR A 36 11.274 6.966 -7.231 1.00 1.00 H new ATOM 0 HA TYR A 36 9.613 8.794 -5.595 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.177 6.113 -6.849 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.246 6.616 -5.452 1.00 1.00 H new ATOM 0 HD1 TYR A 36 8.249 9.704 -6.581 1.00 1.00 H new ATOM 0 HD2 TYR A 36 7.055 5.839 -8.060 1.00 1.00 H new ATOM 0 HE1 TYR A 36 6.617 10.794 -8.095 1.00 1.00 H new ATOM 0 HE2 TYR A 36 5.354 6.920 -9.506 1.00 1.00 H new ATOM 0 HH TYR A 36 4.500 8.829 -10.255 1.00 1.00 H new ATOM 599 N GLY A 37 9.833 7.255 -3.438 1.00 1.00 N ATOM 600 CA GLY A 37 10.311 6.845 -2.127 1.00 1.00 C ATOM 601 C GLY A 37 10.327 5.331 -1.950 1.00 1.00 C ATOM 602 O GLY A 37 9.735 4.591 -2.731 1.00 1.00 O ATOM 0 H GLY A 37 8.860 7.562 -3.446 1.00 1.00 H new ATOM 0 HA2 GLY A 37 11.318 7.235 -1.974 1.00 1.00 H new ATOM 0 HA3 GLY A 37 9.677 7.289 -1.359 1.00 1.00 H new ATOM 606 N ARG A 38 11.002 4.852 -0.907 1.00 1.00 N ATOM 607 CA ARG A 38 11.041 3.451 -0.490 1.00 1.00 C ATOM 608 C ARG A 38 11.181 3.448 1.028 1.00 1.00 C ATOM 609 O ARG A 38 11.919 4.271 1.579 1.00 1.00 O ATOM 610 CB ARG A 38 12.146 2.634 -1.187 1.00 1.00 C ATOM 611 CG ARG A 38 11.762 2.152 -2.599 1.00 1.00 C ATOM 612 CD ARG A 38 12.633 0.965 -3.047 1.00 1.00 C ATOM 613 NE ARG A 38 13.994 1.384 -3.412 1.00 1.00 N ATOM 614 CZ ARG A 38 15.128 0.684 -3.257 1.00 1.00 C ATOM 615 NH1 ARG A 38 15.110 -0.572 -2.822 1.00 1.00 N ATOM 616 NH2 ARG A 38 16.294 1.248 -3.517 1.00 1.00 N ATOM 0 H ARG A 38 11.561 5.455 -0.303 1.00 1.00 H new ATOM 0 HA ARG A 38 10.122 2.950 -0.794 1.00 1.00 H new ATOM 0 HB2 ARG A 38 13.048 3.242 -1.253 1.00 1.00 H new ATOM 0 HB3 ARG A 38 12.389 1.768 -0.571 1.00 1.00 H new ATOM 0 HG2 ARG A 38 10.712 1.859 -2.611 1.00 1.00 H new ATOM 0 HG3 ARG A 38 11.872 2.973 -3.307 1.00 1.00 H new ATOM 0 HD2 ARG A 38 12.684 0.230 -2.244 1.00 1.00 H new ATOM 0 HD3 ARG A 38 12.165 0.474 -3.900 1.00 1.00 H new ATOM 0 HE ARG A 38 14.086 2.310 -3.830 1.00 1.00 H new ATOM 0 HH11 ARG A 38 14.222 -1.022 -2.599 1.00 1.00 H new ATOM 0 HH12 ARG A 38 15.984 -1.086 -2.711 1.00 1.00 H new ATOM 0 HH21 ARG A 38 16.332 2.216 -3.836 1.00 1.00 H new ATOM 0 HH22 ARG A 38 17.156 0.715 -3.399 1.00 1.00 H new ATOM 630 N ILE A 39 10.434 2.569 1.691 1.00 1.00 N ATOM 631 CA ILE A 39 10.316 2.436 3.143 1.00 1.00 C ATOM 632 C ILE A 39 10.815 1.011 3.436 1.00 1.00 C ATOM 633 O ILE A 39 10.484 0.113 2.653 1.00 1.00 O ATOM 634 CB ILE A 39 8.832 2.638 3.569 1.00 1.00 C ATOM 635 CG1 ILE A 39 8.175 3.925 2.999 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.725 2.657 5.104 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.637 3.923 3.057 1.00 1.00 C ATOM 0 H ILE A 39 9.858 1.887 1.198 1.00 1.00 H new ATOM 0 HA ILE A 39 10.891 3.177 3.698 1.00 1.00 H new ATOM 0 HB ILE A 39 8.286 1.795 3.146 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.548 4.786 3.553 1.00 1.00 H new ATOM 0 HG13 ILE A 39 8.489 4.052 1.963 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.684 2.799 5.394 1.00 1.00 H new ATOM 0 HG22 ILE A 39 9.088 1.711 5.506 1.00 1.00 H new ATOM 0 HG23 ILE A 39 9.327 3.475 5.501 1.00 1.00 H new ATOM 0 HD11 ILE A 39 6.256 4.855 2.641 1.00 1.00 H new ATOM 0 HD12 ILE A 39 6.252 3.083 2.478 1.00 1.00 H new ATOM 0 HD13 ILE A 39 6.312 3.829 4.093 1.00 1.00 H new ATOM 649 N PRO A 40 11.658 0.757 4.453 1.00 1.00 N ATOM 650 CA PRO A 40 12.180 -0.583 4.690 1.00 1.00 C ATOM 651 C PRO A 40 11.099 -1.432 5.381 1.00 1.00 C ATOM 652 O PRO A 40 10.138 -0.913 5.959 1.00 1.00 O ATOM 653 CB PRO A 40 13.440 -0.365 5.526 1.00 1.00 C ATOM 654 CG PRO A 40 12.985 0.775 6.417 1.00 1.00 C ATOM 655 CD PRO A 40 12.187 1.669 5.460 1.00 1.00 C ATOM 0 HA PRO A 40 12.436 -1.136 3.786 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.718 -1.251 6.096 1.00 1.00 H new ATOM 0 HB3 PRO A 40 14.302 -0.096 4.915 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.370 0.419 7.244 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.830 1.306 6.854 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.385 2.190 5.982 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.822 2.431 5.009 1.00 1.00 H new ATOM 663 N ARG A 41 11.253 -2.755 5.371 1.00 1.00 N ATOM 664 CA ARG A 41 10.217 -3.638 5.902 1.00 1.00 C ATOM 665 C ARG A 41 10.119 -3.581 7.417 1.00 1.00 C ATOM 666 O ARG A 41 9.030 -3.783 7.948 1.00 1.00 O ATOM 667 CB ARG A 41 10.431 -5.074 5.418 1.00 1.00 C ATOM 668 CG ARG A 41 9.186 -5.947 5.634 1.00 1.00 C ATOM 669 CD ARG A 41 9.410 -7.102 6.615 1.00 1.00 C ATOM 670 NE ARG A 41 9.641 -6.700 8.017 1.00 1.00 N ATOM 671 CZ ARG A 41 10.117 -7.532 8.960 1.00 1.00 C ATOM 672 NH1 ARG A 41 10.574 -8.733 8.619 1.00 1.00 N ATOM 673 NH2 ARG A 41 10.120 -7.191 10.247 1.00 1.00 N ATOM 0 H ARG A 41 12.076 -3.235 5.005 1.00 1.00 H new ATOM 0 HA ARG A 41 9.263 -3.278 5.516 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.688 -5.065 4.359 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.277 -5.512 5.947 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.373 -5.321 6.002 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.866 -6.353 4.674 1.00 1.00 H new ATOM 0 HD2 ARG A 41 8.542 -7.760 6.581 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.266 -7.685 6.275 1.00 1.00 H new ATOM 0 HE ARG A 41 9.428 -5.739 8.285 1.00 1.00 H new ATOM 0 HH11 ARG A 41 10.564 -9.024 7.641 1.00 1.00 H new ATOM 0 HH12 ARG A 41 10.935 -9.363 9.335 1.00 1.00 H new ATOM 0 HH21 ARG A 41 9.756 -6.283 10.535 1.00 1.00 H new ATOM 0 HH22 ARG A 41 10.486 -7.838 10.945 1.00 1.00 H new ATOM 687 N GLY A 42 11.211 -3.334 8.135 1.00 1.00 N ATOM 688 CA GLY A 42 11.160 -3.180 9.581 1.00 1.00 C ATOM 689 C GLY A 42 10.253 -2.008 9.939 1.00 1.00 C ATOM 690 O GLY A 42 9.339 -2.175 10.749 1.00 1.00 O ATOM 0 H GLY A 42 12.144 -3.236 7.735 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.787 -4.095 10.041 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.162 -3.011 9.974 1.00 1.00 H new ATOM 694 N ALA A 43 10.466 -0.857 9.287 1.00 1.00 N ATOM 695 CA ALA A 43 9.641 0.333 9.444 1.00 1.00 C ATOM 696 C ALA A 43 8.185 -0.018 9.180 1.00 1.00 C ATOM 697 O ALA A 43 7.345 0.219 10.044 1.00 1.00 O ATOM 698 CB ALA A 43 10.082 1.445 8.490 1.00 1.00 C ATOM 0 H ALA A 43 11.232 -0.732 8.625 1.00 1.00 H new ATOM 0 HA ALA A 43 9.757 0.695 10.465 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.447 2.319 8.632 1.00 1.00 H new ATOM 0 HB2 ALA A 43 11.118 1.712 8.697 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.996 1.097 7.461 1.00 1.00 H new ATOM 704 N LEU A 44 7.900 -0.607 8.014 1.00 1.00 N ATOM 705 CA LEU A 44 6.538 -0.931 7.605 1.00 1.00 C ATOM 706 C LEU A 44 5.839 -1.821 8.626 1.00 1.00 C ATOM 707 O LEU A 44 4.694 -1.557 8.979 1.00 1.00 O ATOM 708 CB LEU A 44 6.517 -1.604 6.226 1.00 1.00 C ATOM 709 CG LEU A 44 6.779 -0.666 5.037 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.827 -1.511 3.763 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.685 0.398 4.877 1.00 1.00 C ATOM 0 H LEU A 44 8.610 -0.871 7.331 1.00 1.00 H new ATOM 0 HA LEU A 44 5.994 0.012 7.544 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.265 -2.397 6.215 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.546 -2.080 6.086 1.00 1.00 H new ATOM 0 HG LEU A 44 7.721 -0.147 5.218 1.00 1.00 H new ATOM 0 HD11 LEU A 44 7.012 -0.865 2.905 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.628 -2.246 3.844 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.875 -2.025 3.631 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.918 1.034 4.023 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.724 -0.090 4.714 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.635 1.007 5.780 1.00 1.00 H new ATOM 723 N LEU A 45 6.500 -2.880 9.099 1.00 1.00 N ATOM 724 CA LEU A 45 5.952 -3.730 10.151 1.00 1.00 C ATOM 725 C LEU A 45 5.672 -2.968 11.445 1.00 1.00 C ATOM 726 O LEU A 45 4.644 -3.251 12.056 1.00 1.00 O ATOM 727 CB LEU A 45 6.786 -4.998 10.392 1.00 1.00 C ATOM 728 CG LEU A 45 6.574 -6.208 9.454 1.00 1.00 C ATOM 729 CD1 LEU A 45 5.368 -7.030 9.909 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.366 -5.913 7.974 1.00 1.00 C ATOM 0 H LEU A 45 7.420 -3.168 8.766 1.00 1.00 H new ATOM 0 HA LEU A 45 4.985 -4.067 9.779 1.00 1.00 H new ATOM 0 HB2 LEU A 45 7.838 -4.718 10.340 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.595 -5.332 11.412 1.00 1.00 H new ATOM 0 HG LEU A 45 7.524 -6.737 9.535 1.00 1.00 H new ATOM 0 HD11 LEU A 45 5.232 -7.878 9.238 1.00 1.00 H new ATOM 0 HD12 LEU A 45 5.536 -7.392 10.923 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.474 -6.406 9.890 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.230 -6.849 7.432 1.00 1.00 H new ATOM 0 HD22 LEU A 45 5.481 -5.289 7.848 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.238 -5.390 7.581 1.00 1.00 H new ATOM 742 N SER A 46 6.525 -2.037 11.889 1.00 1.00 N ATOM 743 CA SER A 46 6.217 -1.222 13.062 1.00 1.00 C ATOM 744 C SER A 46 5.110 -0.194 12.801 1.00 1.00 C ATOM 745 O SER A 46 4.373 0.173 13.720 1.00 1.00 O ATOM 746 CB SER A 46 7.487 -0.554 13.583 1.00 1.00 C ATOM 747 OG SER A 46 8.360 -0.103 12.563 1.00 1.00 O ATOM 0 H SER A 46 7.426 -1.833 11.456 1.00 1.00 H new ATOM 0 HA SER A 46 5.827 -1.891 13.830 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.209 0.293 14.210 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.022 -1.259 14.219 1.00 1.00 H new ATOM 0 HG SER A 46 7.847 0.072 11.747 1.00 1.00 H new ATOM 753 N MET A 47 4.990 0.289 11.567 1.00 1.00 N ATOM 754 CA MET A 47 3.927 1.182 11.155 1.00 1.00 C ATOM 755 C MET A 47 2.610 0.410 11.149 1.00 1.00 C ATOM 756 O MET A 47 2.566 -0.823 11.140 1.00 1.00 O ATOM 757 CB MET A 47 4.220 1.744 9.756 1.00 1.00 C ATOM 758 CG MET A 47 5.344 2.785 9.723 1.00 1.00 C ATOM 759 SD MET A 47 6.023 3.095 8.065 1.00 1.00 S ATOM 760 CE MET A 47 4.508 3.486 7.144 1.00 1.00 C ATOM 0 H MET A 47 5.644 0.063 10.817 1.00 1.00 H new ATOM 0 HA MET A 47 3.858 2.018 11.851 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.483 0.920 9.093 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.310 2.195 9.359 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.967 3.723 10.131 1.00 1.00 H new ATOM 0 HG3 MET A 47 6.150 2.454 10.378 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.766 3.769 6.123 1.00 1.00 H new ATOM 0 HE2 MET A 47 3.858 2.611 7.125 1.00 1.00 H new ATOM 0 HE3 MET A 47 3.990 4.312 7.630 1.00 1.00 H new ATOM 770 N ASP A 48 1.535 1.176 11.112 1.00 1.00 N ATOM 771 CA ASP A 48 0.147 0.762 11.044 1.00 1.00 C ATOM 772 C ASP A 48 -0.470 1.338 9.781 1.00 1.00 C ATOM 773 O ASP A 48 0.220 1.821 8.881 1.00 1.00 O ATOM 774 CB ASP A 48 -0.606 1.282 12.272 1.00 1.00 C ATOM 775 CG ASP A 48 -0.523 2.797 12.365 1.00 1.00 C ATOM 776 OD1 ASP A 48 0.516 3.304 12.838 1.00 1.00 O ATOM 777 OD2 ASP A 48 -1.485 3.445 11.911 1.00 1.00 O ATOM 0 H ASP A 48 1.619 2.192 11.130 1.00 1.00 H new ATOM 0 HA ASP A 48 0.083 -0.326 11.025 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.650 0.975 12.219 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.188 0.836 13.174 1.00 1.00 H new ATOM 782 N ALA A 49 -1.781 1.180 9.670 1.00 1.00 N ATOM 783 CA ALA A 49 -2.550 1.586 8.503 1.00 1.00 C ATOM 784 C ALA A 49 -2.574 3.107 8.327 1.00 1.00 C ATOM 785 O ALA A 49 -2.516 3.576 7.191 1.00 1.00 O ATOM 786 CB ALA A 49 -3.981 1.060 8.663 1.00 1.00 C ATOM 0 H ALA A 49 -2.351 0.758 10.403 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.077 1.169 7.614 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.575 1.354 7.798 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -3.963 -0.027 8.739 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.424 1.479 9.567 1.00 1.00 H new ATOM 792 N LEU A 50 -2.672 3.873 9.416 1.00 1.00 N ATOM 793 CA LEU A 50 -2.735 5.332 9.401 1.00 1.00 C ATOM 794 C LEU A 50 -1.371 5.878 9.026 1.00 1.00 C ATOM 795 O LEU A 50 -1.273 6.643 8.065 1.00 1.00 O ATOM 796 CB LEU A 50 -3.199 5.838 10.772 1.00 1.00 C ATOM 797 CG LEU A 50 -3.547 7.332 10.846 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.264 7.563 12.177 1.00 1.00 C ATOM 799 CD2 LEU A 50 -2.340 8.277 10.797 1.00 1.00 C ATOM 0 H LEU A 50 -2.711 3.482 10.357 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.456 5.680 8.661 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.075 5.264 11.073 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.415 5.630 11.500 1.00 1.00 H new ATOM 0 HG LEU A 50 -4.152 7.560 9.969 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -4.529 8.616 12.269 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.169 6.956 12.213 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -3.605 7.281 12.999 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.684 9.310 10.855 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.679 8.067 11.638 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.798 8.127 9.863 1.00 1.00 H new ATOM 811 N ASP A 51 -0.323 5.455 9.742 1.00 1.00 N ATOM 812 CA ASP A 51 1.032 5.863 9.395 1.00 1.00 C ATOM 813 C ASP A 51 1.351 5.484 7.974 1.00 1.00 C ATOM 814 O ASP A 51 1.930 6.313 7.281 1.00 1.00 O ATOM 815 CB ASP A 51 2.136 5.295 10.304 1.00 1.00 C ATOM 816 CG ASP A 51 2.371 6.032 11.616 1.00 1.00 C ATOM 817 OD1 ASP A 51 1.667 7.015 11.936 1.00 1.00 O ATOM 818 OD2 ASP A 51 3.431 5.747 12.226 1.00 1.00 O ATOM 0 H ASP A 51 -0.390 4.840 10.553 1.00 1.00 H new ATOM 0 HA ASP A 51 1.033 6.944 9.533 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.892 4.258 10.533 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.071 5.286 9.743 1.00 1.00 H new ATOM 823 N LEU A 52 0.998 4.277 7.514 1.00 1.00 N ATOM 824 CA LEU A 52 1.219 3.972 6.113 1.00 1.00 C ATOM 825 C LEU A 52 0.457 4.957 5.259 1.00 1.00 C ATOM 826 O LEU A 52 1.099 5.554 4.420 1.00 1.00 O ATOM 827 CB LEU A 52 0.841 2.534 5.734 1.00 1.00 C ATOM 828 CG LEU A 52 0.932 2.325 4.193 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.960 1.272 3.795 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.435 2.002 3.582 1.00 1.00 C ATOM 0 H LEU A 52 0.577 3.532 8.069 1.00 1.00 H new ATOM 0 HA LEU A 52 2.290 4.060 5.931 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.505 1.833 6.240 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.171 2.317 6.076 1.00 1.00 H new ATOM 0 HG LEU A 52 1.275 3.276 3.785 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.977 1.172 2.710 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.946 1.575 4.147 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.693 0.315 4.244 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.329 1.863 2.506 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.826 1.088 4.029 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.124 2.824 3.776 1.00 1.00 H new ATOM 842 N THR A 53 -0.849 5.119 5.414 1.00 1.00 N ATOM 843 CA THR A 53 -1.638 5.980 4.553 1.00 1.00 C ATOM 844 C THR A 53 -0.974 7.341 4.383 1.00 1.00 C ATOM 845 O THR A 53 -0.647 7.748 3.265 1.00 1.00 O ATOM 846 CB THR A 53 -3.043 6.084 5.168 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.665 4.821 5.131 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.910 7.109 4.454 1.00 1.00 C ATOM 0 H THR A 53 -1.390 4.655 6.143 1.00 1.00 H new ATOM 0 HA THR A 53 -1.713 5.562 3.549 1.00 1.00 H new ATOM 0 HB THR A 53 -2.930 6.418 6.199 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.477 4.339 5.963 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.892 7.146 4.925 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.440 8.090 4.518 1.00 1.00 H new ATOM 0 HG23 THR A 53 -4.020 6.826 3.407 1.00 1.00 H new ATOM 856 N ASP A 54 -0.756 8.036 5.493 1.00 1.00 N ATOM 857 CA ASP A 54 -0.203 9.378 5.438 1.00 1.00 C ATOM 858 C ASP A 54 1.244 9.399 4.964 1.00 1.00 C ATOM 859 O ASP A 54 1.634 10.331 4.247 1.00 1.00 O ATOM 860 CB ASP A 54 -0.458 10.134 6.741 1.00 1.00 C ATOM 861 CG ASP A 54 -1.884 10.713 6.725 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.185 11.503 5.794 1.00 1.00 O ATOM 863 OD2 ASP A 54 -2.704 10.415 7.627 1.00 1.00 O ATOM 0 H ASP A 54 -0.953 7.694 6.433 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.739 9.931 4.667 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -0.335 9.465 7.593 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.271 10.936 6.858 1.00 1.00 H new ATOM 868 N LYS A 55 2.048 8.393 5.323 1.00 1.00 N ATOM 869 CA LYS A 55 3.414 8.273 4.819 1.00 1.00 C ATOM 870 C LYS A 55 3.355 8.066 3.317 1.00 1.00 C ATOM 871 O LYS A 55 3.838 8.900 2.574 1.00 1.00 O ATOM 872 CB LYS A 55 4.205 7.117 5.468 1.00 1.00 C ATOM 873 CG LYS A 55 5.703 7.255 5.120 1.00 1.00 C ATOM 874 CD LYS A 55 6.637 6.360 5.948 1.00 1.00 C ATOM 875 CE LYS A 55 7.108 7.004 7.259 1.00 1.00 C ATOM 876 NZ LYS A 55 6.012 7.349 8.182 1.00 1.00 N ATOM 0 H LYS A 55 1.772 7.649 5.964 1.00 1.00 H new ATOM 0 HA LYS A 55 3.942 9.191 5.076 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.070 7.132 6.549 1.00 1.00 H new ATOM 0 HB3 LYS A 55 3.826 6.159 5.113 1.00 1.00 H new ATOM 0 HG2 LYS A 55 5.840 7.022 4.064 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.000 8.294 5.258 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.123 5.427 6.177 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.509 6.104 5.346 1.00 1.00 H new ATOM 0 HE2 LYS A 55 7.793 6.321 7.762 1.00 1.00 H new ATOM 0 HE3 LYS A 55 7.672 7.907 7.027 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 6.407 7.603 9.110 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 5.478 8.156 7.801 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 5.377 6.532 8.288 1.00 1.00 H new ATOM 890 N LEU A 56 2.772 6.964 2.866 1.00 1.00 N ATOM 891 CA LEU A 56 2.681 6.483 1.498 1.00 1.00 C ATOM 892 C LEU A 56 2.116 7.573 0.589 1.00 1.00 C ATOM 893 O LEU A 56 2.495 7.631 -0.572 1.00 1.00 O ATOM 894 CB LEU A 56 1.894 5.162 1.567 1.00 1.00 C ATOM 895 CG LEU A 56 1.803 4.223 0.361 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.720 4.674 -0.603 1.00 1.00 C ATOM 897 CD2 LEU A 56 3.105 3.980 -0.401 1.00 1.00 C ATOM 0 H LEU A 56 2.308 6.325 3.511 1.00 1.00 H new ATOM 0 HA LEU A 56 3.644 6.264 1.037 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.317 4.583 2.388 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.872 5.416 1.849 1.00 1.00 H new ATOM 0 HG LEU A 56 1.549 3.260 0.804 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.678 3.989 -1.450 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.243 4.679 -0.092 1.00 1.00 H new ATOM 0 HD13 LEU A 56 0.946 5.679 -0.960 1.00 1.00 H new ATOM 0 HD21 LEU A 56 2.918 3.301 -1.233 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.484 4.927 -0.784 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.842 3.539 0.270 1.00 1.00 H new ATOM 909 N VAL A 57 1.266 8.468 1.093 1.00 1.00 N ATOM 910 CA VAL A 57 0.789 9.599 0.317 1.00 1.00 C ATOM 911 C VAL A 57 1.884 10.682 0.273 1.00 1.00 C ATOM 912 O VAL A 57 2.389 10.978 -0.808 1.00 1.00 O ATOM 913 CB VAL A 57 -0.573 10.051 0.871 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.961 11.445 0.371 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.642 9.028 0.442 1.00 1.00 C ATOM 0 H VAL A 57 0.895 8.425 2.042 1.00 1.00 H new ATOM 0 HA VAL A 57 0.604 9.337 -0.725 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.503 10.104 1.957 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.929 11.724 0.787 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.208 12.167 0.687 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.022 11.437 -0.717 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.614 9.335 0.827 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.682 8.978 -0.646 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.387 8.046 0.841 1.00 1.00 H new ATOM 925 N SER A 58 2.300 11.266 1.404 1.00 1.00 N ATOM 926 CA SER A 58 3.263 12.376 1.407 1.00 1.00 C ATOM 927 C SER A 58 4.600 11.991 0.752 1.00 1.00 C ATOM 928 O SER A 58 5.196 12.760 -0.009 1.00 1.00 O ATOM 929 CB SER A 58 3.486 12.826 2.861 1.00 1.00 C ATOM 930 OG SER A 58 4.460 13.853 2.976 1.00 1.00 O ATOM 0 H SER A 58 1.983 10.987 2.333 1.00 1.00 H new ATOM 0 HA SER A 58 2.852 13.193 0.814 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.542 13.179 3.276 1.00 1.00 H new ATOM 0 HB3 SER A 58 3.796 11.969 3.458 1.00 1.00 H new ATOM 0 HG SER A 58 4.562 14.103 3.918 1.00 1.00 H new ATOM 936 N PHE A 59 5.088 10.798 1.067 1.00 1.00 N ATOM 937 CA PHE A 59 6.368 10.215 0.689 1.00 1.00 C ATOM 938 C PHE A 59 6.393 9.790 -0.785 1.00 1.00 C ATOM 939 O PHE A 59 7.467 9.477 -1.305 1.00 1.00 O ATOM 940 CB PHE A 59 6.589 9.037 1.643 1.00 1.00 C ATOM 941 CG PHE A 59 7.992 8.530 1.858 1.00 1.00 C ATOM 942 CD1 PHE A 59 8.799 9.143 2.834 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.415 7.340 1.247 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.016 8.556 3.211 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.621 6.744 1.645 1.00 1.00 C ATOM 946 CZ PHE A 59 10.417 7.339 2.637 1.00 1.00 C ATOM 0 H PHE A 59 4.548 10.156 1.647 1.00 1.00 H new ATOM 0 HA PHE A 59 7.176 10.941 0.777 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.188 9.321 2.616 1.00 1.00 H new ATOM 0 HB3 PHE A 59 5.988 8.202 1.282 1.00 1.00 H new ATOM 0 HD1 PHE A 59 8.481 10.067 3.294 1.00 1.00 H new ATOM 0 HD2 PHE A 59 7.815 6.885 0.473 1.00 1.00 H new ATOM 0 HE1 PHE A 59 10.645 9.040 3.943 1.00 1.00 H new ATOM 0 HE2 PHE A 59 9.940 5.820 1.185 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.332 6.863 2.957 1.00 1.00 H new ATOM 956 N TYR A 60 5.237 9.778 -1.454 1.00 1.00 N ATOM 957 CA TYR A 60 5.115 9.511 -2.881 1.00 1.00 C ATOM 958 C TYR A 60 4.331 10.688 -3.456 1.00 1.00 C ATOM 959 O TYR A 60 4.946 11.735 -3.664 1.00 1.00 O ATOM 960 CB TYR A 60 4.480 8.140 -3.156 1.00 1.00 C ATOM 961 CG TYR A 60 5.309 6.951 -2.708 1.00 1.00 C ATOM 962 CD1 TYR A 60 5.372 6.594 -1.348 1.00 1.00 C ATOM 963 CD2 TYR A 60 6.002 6.182 -3.658 1.00 1.00 C ATOM 964 CE1 TYR A 60 6.089 5.462 -0.930 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.744 5.064 -3.246 1.00 1.00 C ATOM 966 CZ TYR A 60 6.782 4.693 -1.884 1.00 1.00 C ATOM 967 OH TYR A 60 7.538 3.636 -1.484 1.00 1.00 O ATOM 0 H TYR A 60 4.340 9.959 -1.003 1.00 1.00 H new ATOM 0 HA TYR A 60 6.087 9.440 -3.369 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.512 8.098 -2.658 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.292 8.051 -4.226 1.00 1.00 H new ATOM 0 HD1 TYR A 60 4.861 7.200 -0.615 1.00 1.00 H new ATOM 0 HD2 TYR A 60 5.964 6.451 -4.703 1.00 1.00 H new ATOM 0 HE1 TYR A 60 6.109 5.184 0.113 1.00 1.00 H new ATOM 0 HE2 TYR A 60 7.289 4.484 -3.975 1.00 1.00 H new ATOM 0 HH TYR A 60 8.410 3.671 -1.929 1.00 1.00 H new ATOM 977 N LEU A 61 3.014 10.561 -3.634 1.00 1.00 N ATOM 978 CA LEU A 61 2.018 11.549 -4.060 1.00 1.00 C ATOM 979 C LEU A 61 0.655 11.000 -3.613 1.00 1.00 C ATOM 980 O LEU A 61 0.542 9.811 -3.326 1.00 1.00 O ATOM 981 CB LEU A 61 1.940 11.732 -5.586 1.00 1.00 C ATOM 982 CG LEU A 61 2.940 12.618 -6.349 1.00 1.00 C ATOM 983 CD1 LEU A 61 3.292 13.899 -5.596 1.00 1.00 C ATOM 984 CD2 LEU A 61 4.171 11.854 -6.849 1.00 1.00 C ATOM 0 H LEU A 61 2.568 9.659 -3.463 1.00 1.00 H new ATOM 0 HA LEU A 61 2.291 12.512 -3.627 1.00 1.00 H new ATOM 0 HB2 LEU A 61 2.001 10.737 -6.026 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.945 12.118 -5.807 1.00 1.00 H new ATOM 0 HG LEU A 61 2.418 12.938 -7.251 1.00 1.00 H new ATOM 0 HD11 LEU A 61 4.001 14.483 -6.183 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.388 14.485 -5.432 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.739 13.645 -4.635 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.834 12.539 -7.378 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.700 11.420 -6.000 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.856 11.059 -7.525 1.00 1.00 H new ATOM 996 N GLU A 62 -0.403 11.814 -3.644 1.00 1.00 N ATOM 997 CA GLU A 62 -1.769 11.387 -3.353 1.00 1.00 C ATOM 998 C GLU A 62 -2.207 10.309 -4.353 1.00 1.00 C ATOM 999 O GLU A 62 -2.521 9.181 -3.968 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.741 12.584 -3.392 1.00 1.00 C ATOM 1001 CG GLU A 62 -2.586 13.614 -2.257 1.00 1.00 C ATOM 1002 CD GLU A 62 -1.439 14.624 -2.410 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -0.664 14.583 -3.393 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -1.346 15.543 -1.564 1.00 1.00 O ATOM 0 H GLU A 62 -0.331 12.805 -3.876 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.792 10.967 -2.347 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.614 13.099 -4.344 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.761 12.200 -3.371 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -3.520 14.168 -2.167 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -2.444 13.074 -1.321 1.00 1.00 H new ATOM 1011 N THR A 63 -2.231 10.640 -5.645 1.00 1.00 N ATOM 1012 CA THR A 63 -2.729 9.744 -6.680 1.00 1.00 C ATOM 1013 C THR A 63 -1.794 8.545 -6.828 1.00 1.00 C ATOM 1014 O THR A 63 -2.281 7.412 -6.841 1.00 1.00 O ATOM 1015 CB THR A 63 -2.915 10.480 -8.019 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.430 11.786 -7.831 1.00 1.00 O ATOM 1017 CG2 THR A 63 -3.904 9.730 -8.906 1.00 1.00 C ATOM 0 H THR A 63 -1.904 11.539 -6.000 1.00 1.00 H new ATOM 0 HA THR A 63 -3.711 9.380 -6.378 1.00 1.00 H new ATOM 0 HB THR A 63 -1.931 10.533 -8.484 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.534 12.225 -8.701 1.00 1.00 H new ATOM 0 HG21 THR A 63 -4.024 10.264 -9.849 1.00 1.00 H new ATOM 0 HG22 THR A 63 -3.528 8.726 -9.103 1.00 1.00 H new ATOM 0 HG23 THR A 63 -4.868 9.664 -8.401 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.470 8.765 -6.904 1.00 1.00 N ATOM 1026 CA TYR A 64 0.456 7.644 -6.988 1.00 1.00 C ATOM 1027 C TYR A 64 0.417 6.791 -5.720 1.00 1.00 C ATOM 1028 O TYR A 64 0.669 5.598 -5.802 1.00 1.00 O ATOM 1029 CB TYR A 64 1.900 8.064 -7.298 1.00 1.00 C ATOM 1030 CG TYR A 64 2.740 6.862 -7.706 1.00 1.00 C ATOM 1031 CD1 TYR A 64 2.588 6.320 -8.996 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.573 6.210 -6.776 1.00 1.00 C ATOM 1033 CE1 TYR A 64 3.252 5.134 -9.356 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.251 5.028 -7.130 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.082 4.479 -8.421 1.00 1.00 C ATOM 1036 OH TYR A 64 4.708 3.314 -8.749 1.00 1.00 O ATOM 0 H TYR A 64 -0.034 9.687 -6.908 1.00 1.00 H new ATOM 0 HA TYR A 64 0.112 7.046 -7.832 1.00 1.00 H new ATOM 0 HB2 TYR A 64 1.904 8.804 -8.098 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.341 8.540 -6.422 1.00 1.00 H new ATOM 0 HD1 TYR A 64 1.956 6.819 -9.715 1.00 1.00 H new ATOM 0 HD2 TYR A 64 3.693 6.620 -5.784 1.00 1.00 H new ATOM 0 HE1 TYR A 64 3.127 4.724 -10.347 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.899 4.542 -6.416 1.00 1.00 H new ATOM 0 HH TYR A 64 5.240 3.003 -7.987 1.00 1.00 H new ATOM 1046 N GLY A 65 0.071 7.346 -4.558 1.00 1.00 N ATOM 1047 CA GLY A 65 -0.056 6.569 -3.339 1.00 1.00 C ATOM 1048 C GLY A 65 -1.184 5.547 -3.480 1.00 1.00 C ATOM 1049 O GLY A 65 -1.004 4.360 -3.194 1.00 1.00 O ATOM 0 H GLY A 65 -0.126 8.340 -4.442 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.883 6.058 -3.125 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.258 7.231 -2.497 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.349 5.982 -3.968 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.455 5.068 -4.233 1.00 1.00 C ATOM 1055 C ALA A 66 -3.086 4.070 -5.334 1.00 1.00 C ATOM 1056 O ALA A 66 -3.410 2.886 -5.228 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.712 5.860 -4.594 1.00 1.00 C ATOM 0 H ALA A 66 -2.547 6.959 -4.186 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.661 4.493 -3.330 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.533 5.170 -4.790 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.979 6.516 -3.765 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.521 6.460 -5.484 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.379 4.542 -6.365 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.932 3.725 -7.486 1.00 1.00 C ATOM 1065 C GLU A 67 -1.035 2.601 -6.969 1.00 1.00 C ATOM 1066 O GLU A 67 -1.309 1.437 -7.251 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.193 4.559 -8.550 1.00 1.00 C ATOM 1068 CG GLU A 67 -1.076 3.760 -9.857 1.00 1.00 C ATOM 1069 CD GLU A 67 0.116 4.146 -10.740 1.00 1.00 C ATOM 1070 OE1 GLU A 67 0.223 5.315 -11.179 1.00 1.00 O ATOM 1071 OE2 GLU A 67 0.906 3.238 -11.102 1.00 1.00 O ATOM 0 H GLU A 67 -2.099 5.520 -6.441 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.812 3.301 -7.969 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.729 5.491 -8.731 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.200 4.828 -8.188 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.002 2.700 -9.613 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -1.993 3.892 -10.431 1.00 1.00 H new ATOM 1078 N LEU A 68 0.008 2.960 -6.211 1.00 1.00 N ATOM 1079 CA LEU A 68 0.966 2.080 -5.559 1.00 1.00 C ATOM 1080 C LEU A 68 0.208 1.050 -4.751 1.00 1.00 C ATOM 1081 O LEU A 68 0.423 -0.140 -4.944 1.00 1.00 O ATOM 1082 CB LEU A 68 1.929 2.881 -4.650 1.00 1.00 C ATOM 1083 CG LEU A 68 2.955 1.988 -3.923 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.160 2.831 -3.487 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.354 1.305 -2.690 1.00 1.00 C ATOM 0 H LEU A 68 0.213 3.943 -6.029 1.00 1.00 H new ATOM 0 HA LEU A 68 1.571 1.583 -6.317 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.460 3.618 -5.253 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.348 3.433 -3.911 1.00 1.00 H new ATOM 0 HG LEU A 68 3.264 1.213 -4.624 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.882 2.196 -2.974 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.628 3.277 -4.364 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.827 3.620 -2.813 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.113 0.687 -2.210 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.006 2.063 -1.988 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.515 0.679 -2.994 1.00 1.00 H new ATOM 1097 N THR A 69 -0.648 1.499 -3.837 1.00 1.00 N ATOM 1098 CA THR A 69 -1.352 0.618 -2.926 1.00 1.00 C ATOM 1099 C THR A 69 -2.098 -0.450 -3.734 1.00 1.00 C ATOM 1100 O THR A 69 -1.823 -1.635 -3.559 1.00 1.00 O ATOM 1101 CB THR A 69 -2.220 1.464 -1.985 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.409 2.396 -1.305 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.933 0.626 -0.923 1.00 1.00 C ATOM 0 H THR A 69 -0.869 2.487 -3.712 1.00 1.00 H new ATOM 0 HA THR A 69 -0.674 0.064 -2.277 1.00 1.00 H new ATOM 0 HB THR A 69 -2.969 1.951 -2.610 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.255 3.176 -1.878 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.532 1.278 -0.287 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.582 -0.102 -1.409 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.194 0.104 -0.315 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.948 -0.059 -4.689 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.637 -1.014 -5.553 1.00 1.00 C ATOM 1113 C ALA A 70 -2.639 -1.864 -6.358 1.00 1.00 C ATOM 1114 O ALA A 70 -2.932 -3.022 -6.621 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.521 -0.253 -6.556 1.00 1.00 C ATOM 0 H ALA A 70 -3.174 0.917 -4.881 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.234 -1.666 -4.915 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -5.035 -0.965 -7.201 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.256 0.343 -6.014 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.899 0.404 -7.164 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.493 -1.317 -6.774 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.496 -1.999 -7.603 1.00 1.00 C ATOM 1123 C ASN A 71 0.068 -3.208 -6.885 1.00 1.00 C ATOM 1124 O ASN A 71 0.068 -4.317 -7.418 1.00 1.00 O ATOM 1125 CB ASN A 71 0.664 -1.060 -7.956 1.00 1.00 C ATOM 1126 CG ASN A 71 1.550 -1.663 -9.025 1.00 1.00 C ATOM 1127 OD1 ASN A 71 2.500 -2.379 -8.721 1.00 1.00 O ATOM 1128 ND2 ASN A 71 1.315 -1.349 -10.285 1.00 1.00 N ATOM 0 H ASN A 71 -1.226 -0.361 -6.537 1.00 1.00 H new ATOM 0 HA ASN A 71 -1.001 -2.314 -8.516 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.270 -0.105 -8.303 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.255 -0.856 -7.063 1.00 1.00 H new ATOM 0 HD21 ASN A 71 1.926 -1.702 -11.021 1.00 1.00 H new ATOM 0 HD22 ASN A 71 0.522 -0.753 -10.523 1.00 1.00 H new ATOM 1135 N VAL A 72 0.559 -2.955 -5.677 1.00 1.00 N ATOM 1136 CA VAL A 72 1.094 -3.951 -4.756 1.00 1.00 C ATOM 1137 C VAL A 72 -0.012 -4.967 -4.426 1.00 1.00 C ATOM 1138 O VAL A 72 0.219 -6.172 -4.501 1.00 1.00 O ATOM 1139 CB VAL A 72 1.640 -3.247 -3.488 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.252 -4.253 -2.503 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.720 -2.175 -3.746 1.00 1.00 C ATOM 0 H VAL A 72 0.597 -2.009 -5.296 1.00 1.00 H new ATOM 0 HA VAL A 72 1.925 -4.491 -5.210 1.00 1.00 H new ATOM 0 HB VAL A 72 0.756 -2.755 -3.081 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.624 -3.723 -1.626 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.491 -4.971 -2.197 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.075 -4.780 -2.985 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.037 -1.742 -2.797 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.577 -2.633 -4.240 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.310 -1.392 -4.384 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.215 -4.496 -4.079 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.352 -5.342 -3.717 1.00 1.00 C ATOM 1153 C LEU A 73 -2.706 -6.276 -4.875 1.00 1.00 C ATOM 1154 O LEU A 73 -2.717 -7.496 -4.716 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.534 -4.446 -3.284 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.316 -3.787 -1.905 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.400 -2.734 -1.686 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.287 -4.727 -0.697 1.00 1.00 C ATOM 0 H LEU A 73 -1.427 -3.499 -4.042 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.096 -5.981 -2.872 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.687 -3.668 -4.032 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.445 -5.044 -3.255 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.313 -3.363 -1.952 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.257 -2.261 -0.714 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.338 -1.979 -2.470 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.380 -3.209 -1.717 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.128 -4.147 0.212 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.236 -5.258 -0.627 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.476 -5.446 -0.815 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.919 -5.733 -6.071 1.00 1.00 N ATOM 1171 CA ARG A 74 -3.183 -6.521 -7.267 1.00 1.00 C ATOM 1172 C ARG A 74 -2.016 -7.459 -7.568 1.00 1.00 C ATOM 1173 O ARG A 74 -2.261 -8.567 -8.042 1.00 1.00 O ATOM 1174 CB ARG A 74 -3.483 -5.578 -8.443 1.00 1.00 C ATOM 1175 CG ARG A 74 -4.081 -6.324 -9.644 1.00 1.00 C ATOM 1176 CD ARG A 74 -4.318 -5.404 -10.841 1.00 1.00 C ATOM 1177 NE ARG A 74 -3.041 -4.915 -11.388 1.00 1.00 N ATOM 1178 CZ ARG A 74 -2.440 -5.288 -12.522 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -3.130 -5.866 -13.502 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -1.138 -5.072 -12.650 1.00 1.00 N ATOM 0 H ARG A 74 -2.913 -4.726 -6.236 1.00 1.00 H new ATOM 0 HA ARG A 74 -4.057 -7.151 -7.103 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -4.176 -4.802 -8.117 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -2.564 -5.077 -8.749 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -3.411 -7.132 -9.937 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -5.025 -6.784 -9.350 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -4.868 -5.941 -11.614 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -4.936 -4.559 -10.539 1.00 1.00 H new ATOM 0 HE ARG A 74 -2.557 -4.207 -10.835 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -4.131 -6.030 -13.393 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -2.658 -6.145 -14.362 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -0.617 -4.630 -11.892 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -0.657 -5.348 -13.506 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.763 -7.083 -7.286 1.00 1.00 N ATOM 1195 CA ASP A 75 0.370 -7.982 -7.482 1.00 1.00 C ATOM 1196 C ASP A 75 0.266 -9.195 -6.562 1.00 1.00 C ATOM 1197 O ASP A 75 0.539 -10.312 -7.002 1.00 1.00 O ATOM 1198 CB ASP A 75 1.711 -7.278 -7.277 1.00 1.00 C ATOM 1199 CG ASP A 75 2.851 -8.220 -7.669 1.00 1.00 C ATOM 1200 OD1 ASP A 75 2.828 -8.775 -8.794 1.00 1.00 O ATOM 1201 OD2 ASP A 75 3.810 -8.401 -6.888 1.00 1.00 O ATOM 0 H ASP A 75 -0.513 -6.163 -6.922 1.00 1.00 H new ATOM 0 HA ASP A 75 0.331 -8.317 -8.518 1.00 1.00 H new ATOM 0 HB2 ASP A 75 1.752 -6.370 -7.879 1.00 1.00 H new ATOM 0 HB3 ASP A 75 1.818 -6.975 -6.236 1.00 1.00 H new ATOM 1206 N MET A 76 -0.192 -9.017 -5.320 1.00 1.00 N ATOM 1207 CA MET A 76 -0.438 -10.130 -4.397 1.00 1.00 C ATOM 1208 C MET A 76 -1.574 -11.042 -4.891 1.00 1.00 C ATOM 1209 O MET A 76 -1.741 -12.145 -4.372 1.00 1.00 O ATOM 1210 CB MET A 76 -0.790 -9.596 -2.997 1.00 1.00 C ATOM 1211 CG MET A 76 0.356 -8.831 -2.336 1.00 1.00 C ATOM 1212 SD MET A 76 -0.131 -7.813 -0.918 1.00 1.00 S ATOM 1213 CE MET A 76 -0.484 -9.088 0.324 1.00 1.00 C ATOM 0 H MET A 76 -0.403 -8.100 -4.926 1.00 1.00 H new ATOM 0 HA MET A 76 0.479 -10.718 -4.350 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.658 -8.941 -3.073 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.076 -10.432 -2.358 1.00 1.00 H new ATOM 0 HG2 MET A 76 1.112 -9.546 -2.010 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.825 -8.190 -3.082 1.00 1.00 H new ATOM 0 HE1 MET A 76 -0.448 -8.646 1.320 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.476 -9.503 0.147 1.00 1.00 H new ATOM 0 HE3 MET A 76 0.260 -9.882 0.252 1.00 1.00 H new ATOM 1223 N GLY A 77 -2.335 -10.601 -5.895 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.517 -11.247 -6.452 1.00 1.00 C ATOM 1225 C GLY A 77 -4.799 -10.571 -5.965 1.00 1.00 C ATOM 1226 O GLY A 77 -5.868 -10.813 -6.530 1.00 1.00 O ATOM 0 H GLY A 77 -2.124 -9.723 -6.370 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -3.475 -11.211 -7.541 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -3.527 -12.299 -6.168 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.686 -9.686 -4.968 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.763 -8.998 -4.271 1.00 1.00 C ATOM 1232 C LEU A 78 -6.305 -7.853 -5.143 1.00 1.00 C ATOM 1233 O LEU A 78 -6.166 -6.661 -4.856 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.220 -8.522 -2.911 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.268 -8.233 -1.821 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -5.796 -7.046 -0.994 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.682 -7.922 -2.307 1.00 1.00 C ATOM 0 H LEU A 78 -3.771 -9.417 -4.606 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.608 -9.661 -4.085 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -4.533 -9.279 -2.533 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.637 -7.616 -3.074 1.00 1.00 H new ATOM 0 HG LEU A 78 -6.344 -9.163 -1.257 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.529 -6.829 -0.217 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -4.837 -7.282 -0.532 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.683 -6.175 -1.639 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.329 -7.736 -1.450 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -7.661 -7.038 -2.944 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -8.066 -8.770 -2.874 1.00 1.00 H new ATOM 1249 N GLN A 79 -6.913 -8.232 -6.258 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.425 -7.338 -7.279 1.00 1.00 C ATOM 1251 C GLN A 79 -8.709 -6.628 -6.843 1.00 1.00 C ATOM 1252 O GLN A 79 -8.980 -5.518 -7.301 1.00 1.00 O ATOM 1253 CB GLN A 79 -7.601 -8.142 -8.576 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.482 -9.402 -8.494 1.00 1.00 C ATOM 1255 CD GLN A 79 -9.974 -9.121 -8.614 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -10.418 -8.518 -9.589 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -10.779 -9.588 -7.680 1.00 1.00 N ATOM 0 H GLN A 79 -7.068 -9.215 -6.483 1.00 1.00 H new ATOM 0 HA GLN A 79 -6.710 -6.533 -7.451 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.023 -7.480 -9.332 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -6.613 -8.440 -8.929 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.187 -10.091 -9.285 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -8.292 -9.905 -7.546 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -10.394 -10.086 -6.877 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -11.787 -9.451 -7.760 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.496 -7.233 -5.955 1.00 1.00 N ATOM 1267 CA GLU A 80 -10.789 -6.711 -5.540 1.00 1.00 C ATOM 1268 C GLU A 80 -10.630 -5.442 -4.694 1.00 1.00 C ATOM 1269 O GLU A 80 -11.363 -4.470 -4.898 1.00 1.00 O ATOM 1270 CB GLU A 80 -11.620 -7.810 -4.857 1.00 1.00 C ATOM 1271 CG GLU A 80 -10.995 -8.530 -3.651 1.00 1.00 C ATOM 1272 CD GLU A 80 -10.163 -9.772 -4.002 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -9.597 -9.878 -5.116 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -10.051 -10.666 -3.131 1.00 1.00 O ATOM 0 H GLU A 80 -9.247 -8.111 -5.500 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.351 -6.406 -6.423 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.561 -7.366 -4.532 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -11.864 -8.562 -5.608 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.361 -7.825 -3.114 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.792 -8.825 -2.969 1.00 1.00 H new ATOM 1281 N MET A 81 -9.670 -5.424 -3.765 1.00 1.00 N ATOM 1282 CA MET A 81 -9.335 -4.248 -2.966 1.00 1.00 C ATOM 1283 C MET A 81 -8.758 -3.195 -3.882 1.00 1.00 C ATOM 1284 O MET A 81 -9.226 -2.072 -3.844 1.00 1.00 O ATOM 1285 CB MET A 81 -8.371 -4.612 -1.842 1.00 1.00 C ATOM 1286 CG MET A 81 -8.078 -3.394 -0.974 1.00 1.00 C ATOM 1287 SD MET A 81 -7.174 -3.796 0.541 1.00 1.00 S ATOM 1288 CE MET A 81 -8.528 -4.452 1.552 1.00 1.00 C ATOM 0 H MET A 81 -9.097 -6.239 -3.546 1.00 1.00 H new ATOM 0 HA MET A 81 -10.232 -3.852 -2.490 1.00 1.00 H new ATOM 0 HB2 MET A 81 -8.799 -5.407 -1.231 1.00 1.00 H new ATOM 0 HB3 MET A 81 -7.442 -4.998 -2.262 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.500 -2.674 -1.553 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.018 -2.910 -0.710 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.162 -4.667 2.556 1.00 1.00 H new ATOM 0 HE2 MET A 81 -9.330 -3.716 1.608 1.00 1.00 H new ATOM 0 HE3 MET A 81 -8.908 -5.369 1.101 1.00 1.00 H new ATOM 1298 N ALA A 82 -7.818 -3.554 -4.755 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.260 -2.624 -5.729 1.00 1.00 C ATOM 1300 C ALA A 82 -8.366 -1.951 -6.567 1.00 1.00 C ATOM 1301 O ALA A 82 -8.270 -0.755 -6.863 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.272 -3.393 -6.613 1.00 1.00 C ATOM 0 H ALA A 82 -7.425 -4.494 -4.805 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.739 -1.819 -5.211 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.841 -2.716 -7.351 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.477 -3.809 -5.994 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.794 -4.202 -7.124 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.425 -2.690 -6.907 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.591 -2.183 -7.612 1.00 1.00 C ATOM 1310 C GLY A 83 -11.386 -1.190 -6.769 1.00 1.00 C ATOM 1311 O GLY A 83 -11.587 -0.051 -7.196 1.00 1.00 O ATOM 0 H GLY A 83 -9.491 -3.685 -6.691 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -10.273 -1.700 -8.536 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.235 -3.016 -7.893 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.814 -1.596 -5.567 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.526 -0.729 -4.625 1.00 1.00 C ATOM 1317 C GLN A 84 -11.726 0.541 -4.338 1.00 1.00 C ATOM 1318 O GLN A 84 -12.269 1.640 -4.398 1.00 1.00 O ATOM 1319 CB GLN A 84 -12.809 -1.481 -3.312 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.032 -2.403 -3.384 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.344 -1.625 -3.470 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -15.764 -0.973 -2.511 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.014 -1.658 -4.610 1.00 1.00 N ATOM 0 H GLN A 84 -11.674 -2.545 -5.220 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.474 -0.443 -5.081 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -11.933 -2.073 -3.046 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -12.958 -0.755 -2.512 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -13.942 -3.055 -4.253 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.051 -3.046 -2.504 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -15.657 -2.201 -5.396 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.888 -1.141 -4.703 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.436 0.391 -4.061 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.480 1.430 -3.726 1.00 1.00 C ATOM 1334 C LEU A 85 -9.412 2.463 -4.844 1.00 1.00 C ATOM 1335 O LEU A 85 -9.485 3.670 -4.585 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.127 0.741 -3.522 1.00 1.00 C ATOM 1337 CG LEU A 85 -7.028 1.663 -3.004 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.176 1.881 -1.514 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.694 0.959 -3.173 1.00 1.00 C ATOM 0 H LEU A 85 -10.002 -0.532 -4.066 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.773 1.961 -2.820 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.254 -0.084 -2.821 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.806 0.308 -4.469 1.00 1.00 H new ATOM 0 HG LEU A 85 -7.090 2.605 -3.548 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.383 2.541 -1.162 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.145 2.335 -1.307 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.107 0.924 -0.998 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.894 1.603 -2.808 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.699 0.029 -2.605 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.530 0.739 -4.228 1.00 1.00 H new ATOM 1351 N GLN A 86 -9.284 1.996 -6.091 1.00 1.00 N ATOM 1352 CA GLN A 86 -9.322 2.876 -7.245 1.00 1.00 C ATOM 1353 C GLN A 86 -10.681 3.578 -7.279 1.00 1.00 C ATOM 1354 O GLN A 86 -10.718 4.802 -7.355 1.00 1.00 O ATOM 1355 CB GLN A 86 -9.044 2.085 -8.531 1.00 1.00 C ATOM 1356 CG GLN A 86 -9.086 2.989 -9.771 1.00 1.00 C ATOM 1357 CD GLN A 86 -8.754 2.207 -11.033 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -7.616 2.174 -11.492 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -9.739 1.560 -11.631 1.00 1.00 N ATOM 0 H GLN A 86 -9.153 1.010 -6.318 1.00 1.00 H new ATOM 0 HA GLN A 86 -8.543 3.634 -7.171 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -8.067 1.608 -8.461 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.781 1.289 -8.635 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -10.076 3.435 -9.866 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -8.378 3.809 -9.651 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -10.681 1.593 -11.242 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -9.557 1.027 -12.482 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.783 2.830 -7.188 1.00 1.00 N ATOM 1369 CA ALA A 87 -13.142 3.357 -7.252 1.00 1.00 C ATOM 1370 C ALA A 87 -13.513 4.259 -6.061 1.00 1.00 C ATOM 1371 O ALA A 87 -14.566 4.898 -6.100 1.00 1.00 O ATOM 1372 CB ALA A 87 -14.124 2.184 -7.368 1.00 1.00 C ATOM 0 H ALA A 87 -11.751 1.818 -7.065 1.00 1.00 H new ATOM 0 HA ALA A 87 -13.202 3.997 -8.132 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -15.144 2.566 -7.417 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.906 1.615 -8.272 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -14.021 1.536 -6.498 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.703 4.293 -4.999 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.853 5.165 -3.842 1.00 1.00 C ATOM 1380 C ALA A 88 -12.008 6.427 -4.022 1.00 1.00 C ATOM 1381 O ALA A 88 -12.470 7.523 -3.712 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.451 4.412 -2.569 1.00 1.00 C ATOM 0 H ALA A 88 -11.889 3.683 -4.924 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.896 5.466 -3.749 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.565 5.069 -1.707 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -13.090 3.538 -2.446 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.412 4.093 -2.648 1.00 1.00 H new ATOM 1388 N THR A 89 -10.783 6.298 -4.542 1.00 1.00 N ATOM 1389 CA THR A 89 -9.942 7.456 -4.830 1.00 1.00 C ATOM 1390 C THR A 89 -10.539 8.267 -5.982 1.00 1.00 C ATOM 1391 O THR A 89 -10.620 9.500 -5.933 1.00 1.00 O ATOM 1392 CB THR A 89 -8.490 7.018 -5.092 1.00 1.00 C ATOM 1393 OG1 THR A 89 -8.052 6.148 -4.067 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.566 8.245 -5.119 1.00 1.00 C ATOM 0 H THR A 89 -10.355 5.401 -4.771 1.00 1.00 H new ATOM 0 HA THR A 89 -9.915 8.112 -3.960 1.00 1.00 H new ATOM 0 HB THR A 89 -8.455 6.505 -6.053 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.456 5.264 -4.194 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.541 7.925 -5.305 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.884 8.922 -5.912 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.617 8.760 -4.160 1.00 1.00 H new ATOM 1402 N HIS A 90 -10.957 7.547 -7.015 1.00 1.00 N ATOM 1403 CA HIS A 90 -11.654 8.002 -8.192 1.00 1.00 C ATOM 1404 C HIS A 90 -13.149 7.860 -7.884 1.00 1.00 C ATOM 1405 O HIS A 90 -13.845 7.004 -8.438 1.00 1.00 O ATOM 1406 CB HIS A 90 -11.191 7.224 -9.444 1.00 1.00 C ATOM 1407 CG HIS A 90 -11.507 7.928 -10.745 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -10.666 8.040 -11.832 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -12.631 8.663 -11.022 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -11.253 8.857 -12.722 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -12.442 9.272 -12.264 1.00 1.00 N ATOM 0 H HIS A 90 -10.798 6.540 -7.044 1.00 1.00 H new ATOM 0 HA HIS A 90 -11.435 9.043 -8.428 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -10.115 7.059 -9.382 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -11.665 6.242 -9.447 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -13.504 8.754 -10.393 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -10.827 9.140 -13.673 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -13.085 9.910 -12.733 1.00 1.00 H new ATOM 1419 N GLN A 91 -13.633 8.687 -6.962 1.00 1.00 N ATOM 1420 CA GLN A 91 -15.028 8.803 -6.584 1.00 1.00 C ATOM 1421 C GLN A 91 -15.344 10.287 -6.529 1.00 1.00 C ATOM 1422 O GLN A 91 -16.540 10.635 -6.483 1.00 1.00 O ATOM 1423 CB GLN A 91 -15.272 8.089 -5.245 1.00 1.00 C ATOM 1424 CG GLN A 91 -16.751 7.724 -5.057 1.00 1.00 C ATOM 1425 CD GLN A 91 -16.982 6.764 -3.890 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -17.663 7.100 -2.921 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -16.478 5.544 -3.959 1.00 1.00 N ATOM 1428 OXT GLN A 91 -14.406 11.105 -6.645 1.00 1.00 O ATOM 0 H GLN A 91 -13.031 9.322 -6.437 1.00 1.00 H new ATOM 0 HA GLN A 91 -15.690 8.321 -7.304 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.665 7.185 -5.199 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -14.949 8.731 -4.426 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -17.327 8.635 -4.891 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -17.128 7.271 -5.974 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -15.914 5.270 -4.764 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -16.653 4.877 -3.208 1.00 1.00 H new TER 1437 GLN A 91