USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 797 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 Set 1.1: A 46 MET CE :methyl -158:sc= -0.439 (180deg=0) USER MOD Set 1.2: B 121 MET CE :methyl -178:sc= -2.28! (180deg=-2.33!) USER MOD Set 2.1: A 18 MET CE :methyl 173:sc= -0.921 (180deg=-0.5) USER MOD Set 2.2: A 82 MET CE :methyl 162:sc= -7.78! (180deg=-7.76!) USER MOD Set 2.3: A 86 MET CE :methyl -159:sc= -5.31! (180deg=-6.56!) USER MOD Set 3.1: A 4 THR OG1 : rot 100:sc= 0.0493 USER MOD Set 3.2: A 6 GLN : amide:sc= 0.594 K(o=0.64,f=-1.8!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 150:sc= -0.494 (180deg=-1.96!) USER MOD Single : A 7 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.5) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= 0.00471 (180deg=0) USER MOD Single : A 28 MET CE :methyl -168:sc= 0 (180deg=-0.242) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00734 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0859 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 85:sc= 0.688 USER MOD Single : A 48 MET CE :methyl 172:sc= -7.69! (180deg=-8.09!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 52 ASN : amide:sc= -0.388 K(o=-0.39,f=-1.2) USER MOD Single : A 54 THR OG1 : rot -76:sc= 0.494 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 100:sc= -0.277 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0195 USER MOD Single : A 81 MET CE :methyl -138:sc= -0.856 (180deg=-4.31!) USER MOD Single : A 85 GLN : amide:sc= 0.335 K(o=0.34,f=-6.4!) USER MOD Single : A 87 LYS NZ :NH3+ -110:sc= 0.0955 (180deg=-0.609) USER MOD Single : B 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 117 SER OG : rot -67:sc= 0.962 USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 HIS : no HD1:sc= -0.0904 X(o=-0.09,f=-0.24) USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.866 1.871 -13.820 1.00 0.00 N ATOM 2 CA ALA A 1 -16.383 0.839 -12.867 1.00 0.00 C ATOM 3 C ALA A 1 -16.813 1.167 -11.441 1.00 0.00 C ATOM 4 O ALA A 1 -16.125 1.895 -10.726 1.00 0.00 O ATOM 5 CB ALA A 1 -14.868 0.717 -12.945 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.560 1.625 -14.783 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.905 1.915 -13.787 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.472 2.797 -13.558 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.830 -0.115 -13.146 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.527 -0.043 -12.241 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.578 0.432 -13.956 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.412 1.675 -12.693 1.00 0.00 H new ATOM 13 N SER A 2 -17.956 0.624 -11.034 1.00 0.00 N ATOM 14 CA SER A 2 -18.480 0.859 -9.693 1.00 0.00 C ATOM 15 C SER A 2 -18.514 -0.435 -8.888 1.00 0.00 C ATOM 16 O SER A 2 -18.938 -1.478 -9.388 1.00 0.00 O ATOM 17 CB SER A 2 -19.883 1.463 -9.769 1.00 0.00 C ATOM 18 OG SER A 2 -19.905 2.599 -10.616 1.00 0.00 O ATOM 0 H SER A 2 -18.537 0.018 -11.614 1.00 0.00 H new ATOM 0 HA SER A 2 -17.817 1.562 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.584 0.716 -10.140 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.216 1.744 -8.770 1.00 0.00 H new ATOM 0 HG SER A 2 -20.813 2.965 -10.649 1.00 0.00 H new ATOM 24 N MET A 3 -18.068 -0.362 -7.639 1.00 0.00 N ATOM 25 CA MET A 3 -18.048 -1.527 -6.763 1.00 0.00 C ATOM 26 C MET A 3 -17.918 -1.106 -5.304 1.00 0.00 C ATOM 27 O MET A 3 -18.623 -1.618 -4.433 1.00 0.00 O ATOM 28 CB MET A 3 -16.892 -2.457 -7.142 1.00 0.00 C ATOM 29 CG MET A 3 -17.268 -3.502 -8.181 1.00 0.00 C ATOM 30 SD MET A 3 -16.576 -3.148 -9.808 1.00 0.00 S ATOM 31 CE MET A 3 -14.842 -2.951 -9.406 1.00 0.00 C ATOM 0 H MET A 3 -17.715 0.493 -7.210 1.00 0.00 H new ATOM 0 HA MET A 3 -18.990 -2.061 -6.887 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.065 -1.858 -7.524 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.533 -2.961 -6.245 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.921 -4.480 -7.848 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.354 -3.558 -8.257 1.00 0.00 H new ATOM 0 HE1 MET A 3 -14.234 -3.254 -10.258 1.00 0.00 H new ATOM 0 HE2 MET A 3 -14.640 -1.906 -9.169 1.00 0.00 H new ATOM 0 HE3 MET A 3 -14.595 -3.572 -8.545 1.00 0.00 H new ATOM 41 N THR A 4 -17.013 -0.168 -5.043 1.00 0.00 N ATOM 42 CA THR A 4 -16.790 0.326 -3.691 1.00 0.00 C ATOM 43 C THR A 4 -15.966 1.610 -3.712 1.00 0.00 C ATOM 44 O THR A 4 -14.847 1.633 -4.225 1.00 0.00 O ATOM 45 CB THR A 4 -16.082 -0.736 -2.848 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.929 -0.294 -1.510 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.709 -1.100 -3.371 1.00 0.00 C ATOM 0 H THR A 4 -16.422 0.265 -5.752 1.00 0.00 H new ATOM 0 HA THR A 4 -17.760 0.545 -3.245 1.00 0.00 H new ATOM 0 HB THR A 4 -16.719 -1.619 -2.903 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.626 -0.696 -0.951 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.263 -1.858 -2.727 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.798 -1.492 -4.384 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.076 -0.213 -3.379 1.00 0.00 H new ATOM 55 N ASP A 5 -16.528 2.676 -3.151 1.00 0.00 N ATOM 56 CA ASP A 5 -15.845 3.965 -3.108 1.00 0.00 C ATOM 57 C ASP A 5 -14.778 4.000 -2.015 1.00 0.00 C ATOM 58 O ASP A 5 -14.077 4.999 -1.858 1.00 0.00 O ATOM 59 CB ASP A 5 -16.849 5.095 -2.880 1.00 0.00 C ATOM 60 CG ASP A 5 -17.779 4.817 -1.715 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.426 3.975 -0.863 1.00 0.00 O ATOM 62 OD2 ASP A 5 -18.858 5.442 -1.655 1.00 0.00 O ATOM 0 H ASP A 5 -17.453 2.673 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.353 4.105 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.310 6.025 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.439 5.241 -3.785 1.00 0.00 H new ATOM 67 N GLN A 6 -14.651 2.910 -1.259 1.00 0.00 N ATOM 68 CA GLN A 6 -13.662 2.836 -0.190 1.00 0.00 C ATOM 69 C GLN A 6 -12.273 3.200 -0.709 1.00 0.00 C ATOM 70 O GLN A 6 -11.435 3.708 0.035 1.00 0.00 O ATOM 71 CB GLN A 6 -13.641 1.431 0.418 1.00 0.00 C ATOM 72 CG GLN A 6 -13.150 0.358 -0.540 1.00 0.00 C ATOM 73 CD GLN A 6 -13.157 -1.025 0.078 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.217 -1.413 0.772 1.00 0.00 O ATOM 75 NE2 GLN A 6 -14.222 -1.780 -0.170 1.00 0.00 N ATOM 0 H GLN A 6 -15.219 2.070 -1.368 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.942 3.553 0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.003 1.437 1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.646 1.174 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.778 0.357 -1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.138 0.602 -0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.979 -1.419 -0.751 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.283 -2.720 0.220 1.00 0.00 H new ATOM 84 N GLN A 7 -12.044 2.942 -1.993 1.00 0.00 N ATOM 85 CA GLN A 7 -10.760 3.245 -2.619 1.00 0.00 C ATOM 86 C GLN A 7 -10.598 4.746 -2.843 1.00 0.00 C ATOM 87 O GLN A 7 -9.503 5.223 -3.142 1.00 0.00 O ATOM 88 CB GLN A 7 -10.620 2.514 -3.959 1.00 0.00 C ATOM 89 CG GLN A 7 -11.352 1.181 -4.023 1.00 0.00 C ATOM 90 CD GLN A 7 -10.742 0.229 -5.034 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.006 0.645 -5.928 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.046 -1.055 -4.895 1.00 0.00 N ATOM 0 H GLN A 7 -12.730 2.524 -2.621 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.979 2.902 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.995 3.160 -4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.562 2.344 -4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.339 0.716 -3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.397 1.356 -4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.661 -1.355 -4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.665 -1.743 -5.545 1.00 0.00 H new ATOM 101 N ALA A 8 -11.693 5.486 -2.703 1.00 0.00 N ATOM 102 CA ALA A 8 -11.665 6.928 -2.893 1.00 0.00 C ATOM 103 C ALA A 8 -11.363 7.649 -1.586 1.00 0.00 C ATOM 104 O ALA A 8 -10.479 8.503 -1.525 1.00 0.00 O ATOM 105 CB ALA A 8 -12.986 7.411 -3.473 1.00 0.00 C ATOM 0 H ALA A 8 -12.609 5.109 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.866 7.160 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.950 8.492 -3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.159 6.929 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.797 7.158 -2.790 1.00 0.00 H new ATOM 111 N GLU A 9 -12.099 7.293 -0.535 1.00 0.00 N ATOM 112 CA GLU A 9 -11.903 7.903 0.776 1.00 0.00 C ATOM 113 C GLU A 9 -10.446 7.777 1.202 1.00 0.00 C ATOM 114 O GLU A 9 -9.857 8.717 1.732 1.00 0.00 O ATOM 115 CB GLU A 9 -12.812 7.241 1.813 1.00 0.00 C ATOM 116 CG GLU A 9 -14.274 7.194 1.399 1.00 0.00 C ATOM 117 CD GLU A 9 -14.923 5.858 1.702 1.00 0.00 C ATOM 118 OE1 GLU A 9 -14.853 5.415 2.868 1.00 0.00 O ATOM 119 OE2 GLU A 9 -15.501 5.253 0.774 1.00 0.00 O ATOM 0 H GLU A 9 -12.834 6.587 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.161 8.960 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.462 6.225 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.727 7.781 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.819 7.984 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.352 7.398 0.331 1.00 0.00 H new ATOM 126 N ALA A 10 -9.873 6.604 0.947 1.00 0.00 N ATOM 127 CA ALA A 10 -8.483 6.325 1.278 1.00 0.00 C ATOM 128 C ALA A 10 -7.575 7.495 0.913 1.00 0.00 C ATOM 129 O ALA A 10 -6.926 8.085 1.777 1.00 0.00 O ATOM 130 CB ALA A 10 -8.038 5.069 0.550 1.00 0.00 C ATOM 0 H ALA A 10 -10.360 5.823 0.506 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.407 6.175 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.997 4.856 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.662 4.230 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.135 5.218 -0.525 1.00 0.00 H new ATOM 136 N ARG A 11 -7.537 7.828 -0.374 1.00 0.00 N ATOM 137 CA ARG A 11 -6.713 8.931 -0.858 1.00 0.00 C ATOM 138 C ARG A 11 -6.989 10.205 -0.061 1.00 0.00 C ATOM 139 O ARG A 11 -6.129 11.078 0.049 1.00 0.00 O ATOM 140 CB ARG A 11 -6.974 9.176 -2.347 1.00 0.00 C ATOM 141 CG ARG A 11 -5.716 9.134 -3.197 1.00 0.00 C ATOM 142 CD ARG A 11 -6.014 9.454 -4.653 1.00 0.00 C ATOM 143 NE ARG A 11 -6.233 10.882 -4.867 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.166 11.472 -6.059 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.887 10.761 -7.145 1.00 0.00 N ATOM 146 NH2 ARG A 11 -6.379 12.777 -6.165 1.00 0.00 N ATOM 0 H ARG A 11 -8.068 7.349 -1.101 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.666 8.659 -0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.676 8.426 -2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.453 10.147 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.989 9.848 -2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.261 8.146 -3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.185 9.118 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.897 8.900 -4.972 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.450 11.461 -4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.723 9.757 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.837 11.219 -8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.594 13.328 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.328 13.230 -7.078 1.00 0.00 H new ATOM 160 N ALA A 12 -8.192 10.298 0.494 1.00 0.00 N ATOM 161 CA ALA A 12 -8.582 11.458 1.283 1.00 0.00 C ATOM 162 C ALA A 12 -8.299 11.238 2.767 1.00 0.00 C ATOM 163 O ALA A 12 -8.196 12.195 3.535 1.00 0.00 O ATOM 164 CB ALA A 12 -10.055 11.772 1.067 1.00 0.00 C ATOM 0 H ALA A 12 -8.914 9.582 0.411 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.986 12.308 0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.333 12.641 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.231 11.984 0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.658 10.916 1.371 1.00 0.00 H new ATOM 170 N PHE A 13 -8.174 9.975 3.170 1.00 0.00 N ATOM 171 CA PHE A 13 -7.904 9.645 4.564 1.00 0.00 C ATOM 172 C PHE A 13 -6.510 10.108 4.972 1.00 0.00 C ATOM 173 O PHE A 13 -6.281 10.485 6.122 1.00 0.00 O ATOM 174 CB PHE A 13 -8.041 8.138 4.793 1.00 0.00 C ATOM 175 CG PHE A 13 -7.767 7.721 6.210 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.789 7.685 7.147 1.00 0.00 C ATOM 177 CD2 PHE A 13 -6.487 7.367 6.606 1.00 0.00 C ATOM 178 CE1 PHE A 13 -8.539 7.304 8.451 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.231 6.986 7.910 1.00 0.00 C ATOM 180 CZ PHE A 13 -7.258 6.954 8.833 1.00 0.00 C ATOM 0 H PHE A 13 -8.255 9.168 2.552 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.636 10.165 5.181 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.049 7.827 4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.354 7.613 4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.792 7.958 6.854 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.681 7.389 5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.344 7.280 9.171 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.229 6.714 8.207 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.060 6.656 9.852 1.00 0.00 H new ATOM 190 N LEU A 14 -5.582 10.078 4.022 1.00 0.00 N ATOM 191 CA LEU A 14 -4.209 10.494 4.283 1.00 0.00 C ATOM 192 C LEU A 14 -3.915 11.841 3.633 1.00 0.00 C ATOM 193 O LEU A 14 -4.662 12.303 2.770 1.00 0.00 O ATOM 194 CB LEU A 14 -3.228 9.442 3.765 1.00 0.00 C ATOM 195 CG LEU A 14 -3.624 7.992 4.053 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.979 7.053 3.047 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.232 7.608 5.471 1.00 0.00 C ATOM 0 H LEU A 14 -5.755 9.770 3.065 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.087 10.596 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.120 9.566 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.250 9.630 4.207 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.706 7.903 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.272 6.027 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.307 7.316 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.894 7.142 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.520 6.574 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.154 7.712 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.741 8.262 6.179 1.00 0.00 H new ATOM 209 N SER A 15 -2.818 12.464 4.051 1.00 0.00 N ATOM 210 CA SER A 15 -2.418 13.756 3.507 1.00 0.00 C ATOM 211 C SER A 15 -1.694 13.577 2.179 1.00 0.00 C ATOM 212 O SER A 15 -1.186 12.496 1.883 1.00 0.00 O ATOM 213 CB SER A 15 -1.508 14.490 4.497 1.00 0.00 C ATOM 214 OG SER A 15 -1.786 15.878 4.511 1.00 0.00 O ATOM 0 H SER A 15 -2.190 12.095 4.765 1.00 0.00 H new ATOM 0 HA SER A 15 -3.317 14.349 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.646 14.078 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.465 14.327 4.226 1.00 0.00 H new ATOM 0 HG SER A 15 -1.193 16.324 5.152 1.00 0.00 H new ATOM 220 N GLU A 16 -1.632 14.645 1.388 1.00 0.00 N ATOM 221 CA GLU A 16 -0.947 14.594 0.100 1.00 0.00 C ATOM 222 C GLU A 16 0.444 13.990 0.271 1.00 0.00 C ATOM 223 O GLU A 16 0.991 13.382 -0.648 1.00 0.00 O ATOM 224 CB GLU A 16 -0.846 15.997 -0.506 1.00 0.00 C ATOM 225 CG GLU A 16 -1.551 16.131 -1.846 1.00 0.00 C ATOM 226 CD GLU A 16 -0.748 16.934 -2.851 1.00 0.00 C ATOM 227 OE1 GLU A 16 -0.321 18.057 -2.508 1.00 0.00 O ATOM 228 OE2 GLU A 16 -0.545 16.441 -3.980 1.00 0.00 O ATOM 0 H GLU A 16 -2.045 15.550 1.614 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.523 13.965 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.271 16.717 0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.206 16.256 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.744 15.138 -2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.520 16.608 -1.696 1.00 0.00 H new ATOM 235 N GLU A 17 1.000 14.159 1.468 1.00 0.00 N ATOM 236 CA GLU A 17 2.316 13.630 1.792 1.00 0.00 C ATOM 237 C GLU A 17 2.315 12.106 1.723 1.00 0.00 C ATOM 238 O GLU A 17 3.011 11.511 0.902 1.00 0.00 O ATOM 239 CB GLU A 17 2.727 14.088 3.192 1.00 0.00 C ATOM 240 CG GLU A 17 3.554 15.363 3.197 1.00 0.00 C ATOM 241 CD GLU A 17 5.025 15.105 2.937 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.744 14.752 3.895 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.457 15.254 1.775 1.00 0.00 O ATOM 0 H GLU A 17 0.553 14.663 2.234 1.00 0.00 H new ATOM 0 HA GLU A 17 3.033 14.008 1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.830 14.244 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.297 13.293 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.169 16.044 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.441 15.861 4.160 1.00 0.00 H new ATOM 250 N MET A 18 1.523 11.483 2.593 1.00 0.00 N ATOM 251 CA MET A 18 1.422 10.026 2.640 1.00 0.00 C ATOM 252 C MET A 18 1.088 9.452 1.265 1.00 0.00 C ATOM 253 O MET A 18 1.381 8.290 0.981 1.00 0.00 O ATOM 254 CB MET A 18 0.354 9.606 3.653 1.00 0.00 C ATOM 255 CG MET A 18 0.664 8.296 4.361 1.00 0.00 C ATOM 256 SD MET A 18 1.667 8.525 5.843 1.00 0.00 S ATOM 257 CE MET A 18 1.313 7.011 6.734 1.00 0.00 C ATOM 0 H MET A 18 0.940 11.966 3.277 1.00 0.00 H new ATOM 0 HA MET A 18 2.389 9.630 2.949 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.243 10.394 4.398 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.604 9.514 3.141 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.270 7.804 4.632 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.186 7.631 3.673 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.955 6.948 7.613 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.269 7.008 7.046 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.500 6.155 6.086 1.00 0.00 H new ATOM 267 N ILE A 19 0.480 10.272 0.415 1.00 0.00 N ATOM 268 CA ILE A 19 0.113 9.849 -0.928 1.00 0.00 C ATOM 269 C ILE A 19 1.342 9.789 -1.828 1.00 0.00 C ATOM 270 O ILE A 19 1.685 8.737 -2.365 1.00 0.00 O ATOM 271 CB ILE A 19 -0.930 10.807 -1.547 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.292 10.605 -0.880 1.00 0.00 C ATOM 273 CG2 ILE A 19 -1.034 10.602 -3.054 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.372 11.517 -1.418 1.00 0.00 C ATOM 0 H ILE A 19 0.231 11.236 0.635 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.325 8.854 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.602 11.832 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.603 9.569 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.190 10.770 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.775 11.288 -3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.065 10.795 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.336 9.576 -3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.309 11.317 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.083 12.556 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.503 11.336 -2.485 1.00 0.00 H new ATOM 286 N ALA A 20 1.997 10.933 -1.985 1.00 0.00 N ATOM 287 CA ALA A 20 3.187 11.030 -2.817 1.00 0.00 C ATOM 288 C ALA A 20 4.232 9.989 -2.421 1.00 0.00 C ATOM 289 O ALA A 20 5.066 9.595 -3.236 1.00 0.00 O ATOM 290 CB ALA A 20 3.764 12.431 -2.726 1.00 0.00 C ATOM 0 H ALA A 20 1.721 11.810 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 20 2.901 10.828 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.655 12.499 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.023 13.153 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.029 12.649 -1.691 1.00 0.00 H new ATOM 296 N GLU A 21 4.173 9.539 -1.172 1.00 0.00 N ATOM 297 CA GLU A 21 5.108 8.535 -0.679 1.00 0.00 C ATOM 298 C GLU A 21 4.592 7.138 -0.992 1.00 0.00 C ATOM 299 O GLU A 21 5.369 6.225 -1.266 1.00 0.00 O ATOM 300 CB GLU A 21 5.323 8.683 0.829 1.00 0.00 C ATOM 301 CG GLU A 21 5.390 10.125 1.304 1.00 0.00 C ATOM 302 CD GLU A 21 6.634 10.417 2.122 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.685 9.990 3.293 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.554 11.072 1.590 1.00 0.00 O ATOM 0 H GLU A 21 3.489 9.853 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 21 6.064 8.686 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.513 8.176 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.248 8.177 1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.365 10.789 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.507 10.347 1.903 1.00 0.00 H new ATOM 311 N PHE A 22 3.273 6.979 -0.957 1.00 0.00 N ATOM 312 CA PHE A 22 2.660 5.692 -1.248 1.00 0.00 C ATOM 313 C PHE A 22 2.968 5.274 -2.678 1.00 0.00 C ATOM 314 O PHE A 22 3.150 4.091 -2.967 1.00 0.00 O ATOM 315 CB PHE A 22 1.147 5.751 -1.023 1.00 0.00 C ATOM 316 CG PHE A 22 0.639 4.665 -0.118 1.00 0.00 C ATOM 317 CD1 PHE A 22 1.150 3.379 -0.205 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.344 4.930 0.821 1.00 0.00 C ATOM 319 CE1 PHE A 22 0.690 2.379 0.628 1.00 0.00 C ATOM 320 CE2 PHE A 22 -0.808 3.933 1.657 1.00 0.00 C ATOM 321 CZ PHE A 22 -0.290 2.655 1.561 1.00 0.00 C ATOM 0 H PHE A 22 2.612 7.723 -0.731 1.00 0.00 H new ATOM 0 HA PHE A 22 3.078 4.949 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.887 6.720 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.640 5.679 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.917 3.157 -0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.752 5.927 0.900 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.096 1.381 0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.575 4.152 2.385 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.651 1.874 2.214 1.00 0.00 H new ATOM 331 N LYS A 23 3.041 6.257 -3.567 1.00 0.00 N ATOM 332 CA LYS A 23 3.347 5.998 -4.967 1.00 0.00 C ATOM 333 C LYS A 23 4.810 5.592 -5.124 1.00 0.00 C ATOM 334 O LYS A 23 5.201 5.022 -6.142 1.00 0.00 O ATOM 335 CB LYS A 23 3.052 7.237 -5.814 1.00 0.00 C ATOM 336 CG LYS A 23 2.915 6.939 -7.298 1.00 0.00 C ATOM 337 CD LYS A 23 1.606 6.231 -7.606 1.00 0.00 C ATOM 338 CE LYS A 23 0.524 7.215 -8.020 1.00 0.00 C ATOM 339 NZ LYS A 23 -0.443 7.474 -6.919 1.00 0.00 N ATOM 0 H LYS A 23 2.892 7.241 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 23 2.717 5.179 -5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.132 7.700 -5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.851 7.964 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.968 7.869 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.750 6.319 -7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.763 5.505 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.277 5.675 -6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.985 8.154 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.009 6.824 -8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.318 7.874 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.659 6.582 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.028 8.147 -6.244 1.00 0.00 H new ATOM 353 N ALA A 24 5.615 5.892 -4.105 1.00 0.00 N ATOM 354 CA ALA A 24 7.037 5.561 -4.117 1.00 0.00 C ATOM 355 C ALA A 24 7.279 4.115 -4.538 1.00 0.00 C ATOM 356 O ALA A 24 7.789 3.849 -5.626 1.00 0.00 O ATOM 357 CB ALA A 24 7.639 5.804 -2.741 1.00 0.00 C ATOM 0 H ALA A 24 5.303 6.366 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 24 7.520 6.207 -4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.700 5.555 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.517 6.853 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.132 5.179 -2.006 1.00 0.00 H new ATOM 363 N ALA A 25 6.919 3.188 -3.657 1.00 0.00 N ATOM 364 CA ALA A 25 7.103 1.766 -3.919 1.00 0.00 C ATOM 365 C ALA A 25 6.216 1.271 -5.061 1.00 0.00 C ATOM 366 O ALA A 25 6.380 0.148 -5.537 1.00 0.00 O ATOM 367 CB ALA A 25 6.838 0.967 -2.652 1.00 0.00 C ATOM 0 H ALA A 25 6.497 3.397 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 25 8.137 1.618 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.977 -0.095 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.532 1.281 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.815 1.141 -2.319 1.00 0.00 H new ATOM 373 N PHE A 26 5.277 2.107 -5.502 1.00 0.00 N ATOM 374 CA PHE A 26 4.374 1.737 -6.591 1.00 0.00 C ATOM 375 C PHE A 26 5.150 1.184 -7.784 1.00 0.00 C ATOM 376 O PHE A 26 4.635 0.365 -8.546 1.00 0.00 O ATOM 377 CB PHE A 26 3.544 2.946 -7.026 1.00 0.00 C ATOM 378 CG PHE A 26 2.160 2.587 -7.486 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.120 2.478 -6.578 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.900 2.359 -8.827 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.155 2.148 -6.998 1.00 0.00 C ATOM 382 CE2 PHE A 26 0.627 2.027 -9.254 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.401 1.922 -8.338 1.00 0.00 C ATOM 0 H PHE A 26 5.122 3.041 -5.124 1.00 0.00 H new ATOM 0 HA PHE A 26 3.707 0.957 -6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.472 3.646 -6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.064 3.463 -7.833 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.307 2.653 -5.529 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.700 2.441 -9.548 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.957 2.067 -6.280 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.437 1.850 -10.302 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.396 1.664 -8.669 1.00 0.00 H new ATOM 393 N ASP A 27 6.391 1.635 -7.941 1.00 0.00 N ATOM 394 CA ASP A 27 7.235 1.182 -9.040 1.00 0.00 C ATOM 395 C ASP A 27 7.783 -0.214 -8.763 1.00 0.00 C ATOM 396 O ASP A 27 7.522 -1.155 -9.513 1.00 0.00 O ATOM 397 CB ASP A 27 8.389 2.162 -9.262 1.00 0.00 C ATOM 398 CG ASP A 27 7.905 3.556 -9.610 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.440 3.755 -10.752 1.00 0.00 O ATOM 400 OD2 ASP A 27 7.991 4.448 -8.740 1.00 0.00 O ATOM 0 H ASP A 27 6.834 2.313 -7.321 1.00 0.00 H new ATOM 0 HA ASP A 27 6.625 1.141 -9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.002 2.207 -8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.028 1.791 -10.064 1.00 0.00 H new ATOM 405 N MET A 28 8.544 -0.342 -7.680 1.00 0.00 N ATOM 406 CA MET A 28 9.127 -1.624 -7.302 1.00 0.00 C ATOM 407 C MET A 28 8.038 -2.652 -7.014 1.00 0.00 C ATOM 408 O MET A 28 8.239 -3.852 -7.201 1.00 0.00 O ATOM 409 CB MET A 28 10.025 -1.457 -6.075 1.00 0.00 C ATOM 410 CG MET A 28 11.285 -0.652 -6.350 1.00 0.00 C ATOM 411 SD MET A 28 12.745 -1.693 -6.546 1.00 0.00 S ATOM 412 CE MET A 28 14.040 -0.455 -6.583 1.00 0.00 C ATOM 0 H MET A 28 8.771 0.427 -7.049 1.00 0.00 H new ATOM 0 HA MET A 28 9.728 -1.983 -8.137 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.457 -0.969 -5.283 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.307 -2.442 -5.704 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.143 -0.059 -7.253 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.450 0.048 -5.531 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.973 -0.914 -6.910 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.764 0.340 -7.276 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.172 -0.037 -5.585 1.00 0.00 H new ATOM 422 N PHE A 29 6.884 -2.172 -6.561 1.00 0.00 N ATOM 423 CA PHE A 29 5.758 -3.047 -6.248 1.00 0.00 C ATOM 424 C PHE A 29 5.392 -3.912 -7.452 1.00 0.00 C ATOM 425 O PHE A 29 5.501 -5.137 -7.407 1.00 0.00 O ATOM 426 CB PHE A 29 4.547 -2.217 -5.820 1.00 0.00 C ATOM 427 CG PHE A 29 4.472 -1.974 -4.338 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.659 -3.014 -3.441 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.213 -0.707 -3.844 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.588 -2.791 -2.078 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.142 -0.478 -2.483 1.00 0.00 C ATOM 432 CZ PHE A 29 4.330 -1.523 -1.599 1.00 0.00 C ATOM 0 H PHE A 29 6.703 -1.181 -6.402 1.00 0.00 H new ATOM 0 HA PHE A 29 6.054 -3.700 -5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.576 -1.257 -6.335 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.638 -2.725 -6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.862 -4.008 -3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.065 0.113 -4.531 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.734 -3.609 -1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.940 0.516 -2.111 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.275 -1.348 -0.535 1.00 0.00 H new ATOM 442 N ASP A 30 4.957 -3.262 -8.527 1.00 0.00 N ATOM 443 CA ASP A 30 4.574 -3.966 -9.744 1.00 0.00 C ATOM 444 C ASP A 30 5.790 -4.593 -10.417 1.00 0.00 C ATOM 445 O ASP A 30 6.728 -3.897 -10.802 1.00 0.00 O ATOM 446 CB ASP A 30 3.878 -3.012 -10.715 1.00 0.00 C ATOM 447 CG ASP A 30 2.456 -2.697 -10.295 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.644 -3.639 -10.192 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.154 -1.506 -10.067 1.00 0.00 O ATOM 0 H ASP A 30 4.861 -2.248 -8.579 1.00 0.00 H new ATOM 0 HA ASP A 30 3.882 -4.762 -9.468 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.448 -2.085 -10.781 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.870 -3.454 -11.711 1.00 0.00 H new ATOM 454 N ALA A 31 5.761 -5.912 -10.554 1.00 0.00 N ATOM 455 CA ALA A 31 6.856 -6.641 -11.181 1.00 0.00 C ATOM 456 C ALA A 31 6.645 -6.753 -12.686 1.00 0.00 C ATOM 457 O ALA A 31 7.535 -6.435 -13.475 1.00 0.00 O ATOM 458 CB ALA A 31 6.991 -8.024 -10.562 1.00 0.00 C ATOM 0 H ALA A 31 4.990 -6.500 -10.239 1.00 0.00 H new ATOM 0 HA ALA A 31 7.778 -6.086 -11.008 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.813 -8.558 -11.040 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.193 -7.927 -9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.064 -8.580 -10.707 1.00 0.00 H new ATOM 464 N ASP A 32 5.459 -7.206 -13.078 1.00 0.00 N ATOM 465 CA ASP A 32 5.126 -7.359 -14.488 1.00 0.00 C ATOM 466 C ASP A 32 4.536 -6.069 -15.050 1.00 0.00 C ATOM 467 O ASP A 32 4.654 -5.789 -16.242 1.00 0.00 O ATOM 468 CB ASP A 32 4.136 -8.511 -14.678 1.00 0.00 C ATOM 469 CG ASP A 32 2.861 -8.313 -13.882 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.927 -7.697 -12.797 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.796 -8.775 -14.343 1.00 0.00 O ATOM 0 H ASP A 32 4.712 -7.474 -12.437 1.00 0.00 H new ATOM 0 HA ASP A 32 6.044 -7.585 -15.030 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.890 -8.605 -15.736 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.608 -9.446 -14.376 1.00 0.00 H new ATOM 476 N GLY A 33 3.901 -5.287 -14.181 1.00 0.00 N ATOM 477 CA GLY A 33 3.303 -4.037 -14.610 1.00 0.00 C ATOM 478 C GLY A 33 2.100 -4.248 -15.508 1.00 0.00 C ATOM 479 O GLY A 33 2.239 -4.365 -16.726 1.00 0.00 O ATOM 0 H GLY A 33 3.791 -5.497 -13.189 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.002 -3.462 -13.734 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.049 -3.444 -15.140 1.00 0.00 H new ATOM 483 N GLY A 34 0.916 -4.296 -14.906 1.00 0.00 N ATOM 484 CA GLY A 34 -0.298 -4.494 -15.674 1.00 0.00 C ATOM 485 C GLY A 34 -1.441 -5.017 -14.826 1.00 0.00 C ATOM 486 O GLY A 34 -2.610 -4.784 -15.134 1.00 0.00 O ATOM 0 H GLY A 34 0.776 -4.201 -13.900 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.592 -3.550 -16.133 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.101 -5.195 -16.485 1.00 0.00 H new ATOM 490 N GLY A 35 -1.103 -5.726 -13.753 1.00 0.00 N ATOM 491 CA GLY A 35 -2.120 -6.273 -12.875 1.00 0.00 C ATOM 492 C GLY A 35 -2.237 -5.504 -11.574 1.00 0.00 C ATOM 493 O GLY A 35 -2.698 -4.363 -11.558 1.00 0.00 O ATOM 0 H GLY A 35 -0.143 -5.931 -13.477 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.082 -6.263 -13.387 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.886 -7.315 -12.658 1.00 0.00 H new ATOM 497 N ASP A 36 -1.819 -6.131 -10.478 1.00 0.00 N ATOM 498 CA ASP A 36 -1.880 -5.500 -9.165 1.00 0.00 C ATOM 499 C ASP A 36 -0.753 -6.001 -8.268 1.00 0.00 C ATOM 500 O ASP A 36 0.103 -6.772 -8.701 1.00 0.00 O ATOM 501 CB ASP A 36 -3.231 -5.777 -8.507 1.00 0.00 C ATOM 502 CG ASP A 36 -4.319 -4.850 -9.012 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.982 -3.753 -9.505 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.508 -5.221 -8.914 1.00 0.00 O ATOM 0 H ASP A 36 -1.434 -7.076 -10.474 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.762 -4.425 -9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.520 -6.810 -8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.136 -5.667 -7.427 1.00 0.00 H new ATOM 509 N ILE A 37 -0.760 -5.557 -7.016 1.00 0.00 N ATOM 510 CA ILE A 37 0.259 -5.957 -6.056 1.00 0.00 C ATOM 511 C ILE A 37 -0.167 -7.203 -5.285 1.00 0.00 C ATOM 512 O ILE A 37 -1.164 -7.190 -4.562 1.00 0.00 O ATOM 513 CB ILE A 37 0.561 -4.815 -5.063 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.158 -3.619 -5.803 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.498 -5.286 -3.957 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.499 -2.459 -4.895 1.00 0.00 C ATOM 0 H ILE A 37 -1.462 -4.918 -6.643 1.00 0.00 H new ATOM 0 HA ILE A 37 1.163 -6.186 -6.621 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.375 -4.507 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.059 -3.938 -6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.452 -3.281 -6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.694 -4.462 -3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.034 -6.108 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.437 -5.625 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.918 -1.645 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.596 -2.114 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.229 -2.781 -4.152 1.00 0.00 H new ATOM 528 N SER A 38 0.599 -8.278 -5.442 1.00 0.00 N ATOM 529 CA SER A 38 0.308 -9.533 -4.759 1.00 0.00 C ATOM 530 C SER A 38 1.122 -9.652 -3.472 1.00 0.00 C ATOM 531 O SER A 38 1.670 -8.664 -2.983 1.00 0.00 O ATOM 532 CB SER A 38 0.606 -10.718 -5.680 1.00 0.00 C ATOM 533 OG SER A 38 -0.285 -11.792 -5.435 1.00 0.00 O ATOM 0 H SER A 38 1.427 -8.305 -6.037 1.00 0.00 H new ATOM 0 HA SER A 38 -0.750 -9.543 -4.499 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.524 -10.403 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.633 -11.051 -5.528 1.00 0.00 H new ATOM 0 HG SER A 38 -0.074 -12.536 -6.037 1.00 0.00 H new ATOM 539 N THR A 39 1.196 -10.863 -2.929 1.00 0.00 N ATOM 540 CA THR A 39 1.943 -11.106 -1.700 1.00 0.00 C ATOM 541 C THR A 39 3.443 -10.944 -1.927 1.00 0.00 C ATOM 542 O THR A 39 4.135 -10.306 -1.134 1.00 0.00 O ATOM 543 CB THR A 39 1.647 -12.510 -1.169 1.00 0.00 C ATOM 544 OG1 THR A 39 1.416 -13.411 -2.238 1.00 0.00 O ATOM 545 CG2 THR A 39 0.443 -12.564 -0.255 1.00 0.00 C ATOM 0 H THR A 39 0.748 -11.691 -3.321 1.00 0.00 H new ATOM 0 HA THR A 39 1.626 -10.368 -0.963 1.00 0.00 H new ATOM 0 HB THR A 39 2.530 -12.794 -0.596 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.230 -14.304 -1.879 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.290 -13.588 0.085 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.610 -11.917 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.440 -12.226 -0.797 1.00 0.00 H new ATOM 553 N LYS A 40 3.939 -11.527 -3.013 1.00 0.00 N ATOM 554 CA LYS A 40 5.358 -11.451 -3.343 1.00 0.00 C ATOM 555 C LYS A 40 5.762 -10.028 -3.715 1.00 0.00 C ATOM 556 O LYS A 40 6.907 -9.625 -3.513 1.00 0.00 O ATOM 557 CB LYS A 40 5.684 -12.405 -4.494 1.00 0.00 C ATOM 558 CG LYS A 40 7.154 -12.414 -4.878 1.00 0.00 C ATOM 559 CD LYS A 40 7.336 -12.563 -6.380 1.00 0.00 C ATOM 560 CE LYS A 40 8.704 -13.128 -6.723 1.00 0.00 C ATOM 561 NZ LYS A 40 8.719 -14.617 -6.671 1.00 0.00 N ATOM 0 H LYS A 40 3.379 -12.058 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 40 5.925 -11.746 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.384 -13.415 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.091 -12.126 -5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.624 -11.489 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.660 -13.233 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.561 -13.218 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.211 -11.593 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.994 -12.797 -7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.445 -12.733 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.670 -14.963 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.467 -14.933 -5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.031 -14.995 -7.353 1.00 0.00 H new ATOM 575 N GLU A 41 4.817 -9.272 -4.265 1.00 0.00 N ATOM 576 CA GLU A 41 5.078 -7.896 -4.671 1.00 0.00 C ATOM 577 C GLU A 41 5.271 -6.989 -3.459 1.00 0.00 C ATOM 578 O GLU A 41 5.937 -5.957 -3.547 1.00 0.00 O ATOM 579 CB GLU A 41 3.931 -7.372 -5.537 1.00 0.00 C ATOM 580 CG GLU A 41 3.944 -7.918 -6.954 1.00 0.00 C ATOM 581 CD GLU A 41 3.066 -7.118 -7.896 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.034 -5.877 -7.766 1.00 0.00 O ATOM 583 OE2 GLU A 41 2.411 -7.732 -8.764 1.00 0.00 O ATOM 0 H GLU A 41 3.864 -9.589 -4.440 1.00 0.00 H new ATOM 0 HA GLU A 41 6.000 -7.888 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.983 -7.630 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.982 -6.284 -5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.967 -7.919 -7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.608 -8.955 -6.943 1.00 0.00 H new ATOM 590 N LEU A 42 4.684 -7.374 -2.330 1.00 0.00 N ATOM 591 CA LEU A 42 4.795 -6.586 -1.109 1.00 0.00 C ATOM 592 C LEU A 42 6.097 -6.890 -0.373 1.00 0.00 C ATOM 593 O LEU A 42 6.895 -5.992 -0.108 1.00 0.00 O ATOM 594 CB LEU A 42 3.598 -6.849 -0.193 1.00 0.00 C ATOM 595 CG LEU A 42 2.903 -5.592 0.334 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.908 -4.672 1.012 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.190 -4.864 -0.796 1.00 0.00 C ATOM 0 H LEU A 42 4.128 -8.224 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 42 4.801 -5.533 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.868 -7.450 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.933 -7.445 0.656 1.00 0.00 H new ATOM 0 HG LEU A 42 2.160 -5.893 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.396 -3.783 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.374 -5.195 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.674 -4.378 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.701 -3.972 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.915 -4.575 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.442 -5.522 -1.238 1.00 0.00 H new ATOM 609 N GLY A 43 6.304 -8.162 -0.044 1.00 0.00 N ATOM 610 CA GLY A 43 7.512 -8.560 0.659 1.00 0.00 C ATOM 611 C GLY A 43 8.773 -8.088 -0.039 1.00 0.00 C ATOM 612 O GLY A 43 9.810 -7.902 0.597 1.00 0.00 O ATOM 0 H GLY A 43 5.658 -8.924 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.489 -8.157 1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.535 -9.646 0.749 1.00 0.00 H new ATOM 616 N THR A 44 8.684 -7.897 -1.350 1.00 0.00 N ATOM 617 CA THR A 44 9.823 -7.446 -2.142 1.00 0.00 C ATOM 618 C THR A 44 10.354 -6.107 -1.625 1.00 0.00 C ATOM 619 O THR A 44 11.360 -6.056 -0.918 1.00 0.00 O ATOM 620 CB THR A 44 9.419 -7.329 -3.619 1.00 0.00 C ATOM 621 OG1 THR A 44 9.506 -8.589 -4.260 1.00 0.00 O ATOM 622 CG2 THR A 44 10.265 -6.354 -4.416 1.00 0.00 C ATOM 0 H THR A 44 7.831 -8.048 -1.889 1.00 0.00 H new ATOM 0 HA THR A 44 10.622 -8.182 -2.049 1.00 0.00 H new ATOM 0 HB THR A 44 8.396 -6.954 -3.600 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.674 -9.087 -4.117 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.916 -6.329 -5.448 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.180 -5.358 -3.980 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.307 -6.673 -4.393 1.00 0.00 H new ATOM 630 N VAL A 45 9.673 -5.029 -1.997 1.00 0.00 N ATOM 631 CA VAL A 45 10.067 -3.686 -1.592 1.00 0.00 C ATOM 632 C VAL A 45 10.176 -3.565 -0.073 1.00 0.00 C ATOM 633 O VAL A 45 10.917 -2.724 0.437 1.00 0.00 O ATOM 634 CB VAL A 45 9.065 -2.639 -2.117 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.643 -3.050 -1.776 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.379 -1.255 -1.563 1.00 0.00 C ATOM 0 H VAL A 45 8.839 -5.061 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 45 11.049 -3.497 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 45 9.158 -2.591 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.947 -2.301 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.423 -4.014 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.537 -3.131 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.657 -0.536 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.322 -1.277 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.383 -0.960 -1.868 1.00 0.00 H new ATOM 646 N MET A 46 9.432 -4.396 0.647 1.00 0.00 N ATOM 647 CA MET A 46 9.451 -4.357 2.104 1.00 0.00 C ATOM 648 C MET A 46 10.675 -5.078 2.663 1.00 0.00 C ATOM 649 O MET A 46 11.170 -4.730 3.734 1.00 0.00 O ATOM 650 CB MET A 46 8.172 -4.978 2.672 1.00 0.00 C ATOM 651 CG MET A 46 7.038 -3.979 2.848 1.00 0.00 C ATOM 652 SD MET A 46 7.484 -2.605 3.926 1.00 0.00 S ATOM 653 CE MET A 46 5.919 -2.285 4.735 1.00 0.00 C ATOM 0 H MET A 46 8.812 -5.101 0.249 1.00 0.00 H new ATOM 0 HA MET A 46 9.505 -3.311 2.407 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.841 -5.778 2.010 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.396 -5.434 3.636 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.747 -3.590 1.872 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.168 -4.491 3.260 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.909 -1.264 5.118 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.107 -2.412 4.019 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.787 -2.984 5.561 1.00 0.00 H new ATOM 663 N ARG A 47 11.158 -6.082 1.939 1.00 0.00 N ATOM 664 CA ARG A 47 12.322 -6.846 2.378 1.00 0.00 C ATOM 665 C ARG A 47 13.625 -6.194 1.922 1.00 0.00 C ATOM 666 O ARG A 47 14.670 -6.376 2.548 1.00 0.00 O ATOM 667 CB ARG A 47 12.247 -8.281 1.850 1.00 0.00 C ATOM 668 CG ARG A 47 11.234 -9.144 2.583 1.00 0.00 C ATOM 669 CD ARG A 47 10.974 -10.448 1.846 1.00 0.00 C ATOM 670 NE ARG A 47 10.103 -11.342 2.606 1.00 0.00 N ATOM 671 CZ ARG A 47 9.991 -12.646 2.369 1.00 0.00 C ATOM 672 NH1 ARG A 47 10.693 -13.214 1.396 1.00 0.00 N ATOM 673 NH2 ARG A 47 9.175 -13.386 3.108 1.00 0.00 N ATOM 0 H ARG A 47 10.764 -6.386 1.049 1.00 0.00 H new ATOM 0 HA ARG A 47 12.314 -6.861 3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.993 -8.257 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.232 -8.742 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.598 -9.359 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.299 -8.595 2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.519 -10.233 0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.922 -10.948 1.648 1.00 0.00 H new ATOM 0 HE ARG A 47 9.548 -10.942 3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.323 -12.650 0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.603 -14.214 1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.634 -12.955 3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.089 -14.386 2.927 1.00 0.00 H new ATOM 687 N MET A 48 13.564 -5.440 0.829 1.00 0.00 N ATOM 688 CA MET A 48 14.747 -4.771 0.299 1.00 0.00 C ATOM 689 C MET A 48 14.916 -3.375 0.898 1.00 0.00 C ATOM 690 O MET A 48 15.963 -2.748 0.739 1.00 0.00 O ATOM 691 CB MET A 48 14.663 -4.671 -1.225 1.00 0.00 C ATOM 692 CG MET A 48 13.451 -3.901 -1.718 1.00 0.00 C ATOM 693 SD MET A 48 13.821 -2.856 -3.141 1.00 0.00 S ATOM 694 CE MET A 48 12.558 -1.599 -2.972 1.00 0.00 C ATOM 0 H MET A 48 12.711 -5.277 0.294 1.00 0.00 H new ATOM 0 HA MET A 48 15.615 -5.369 0.576 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.566 -4.189 -1.599 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.640 -5.676 -1.646 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.662 -4.605 -1.985 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.065 -3.282 -0.908 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.739 -0.802 -3.693 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.579 -2.040 -3.158 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.586 -1.189 -1.963 1.00 0.00 H new ATOM 704 N LEU A 49 13.884 -2.891 1.582 1.00 0.00 N ATOM 705 CA LEU A 49 13.929 -1.568 2.192 1.00 0.00 C ATOM 706 C LEU A 49 14.360 -1.649 3.653 1.00 0.00 C ATOM 707 O LEU A 49 15.264 -0.932 4.083 1.00 0.00 O ATOM 708 CB LEU A 49 12.562 -0.894 2.088 1.00 0.00 C ATOM 709 CG LEU A 49 12.249 -0.281 0.724 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.836 0.278 0.706 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.260 0.804 0.384 1.00 0.00 C ATOM 0 H LEU A 49 13.009 -3.394 1.727 1.00 0.00 H new ATOM 0 HA LEU A 49 14.666 -0.973 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.792 -1.628 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.500 -0.112 2.844 1.00 0.00 H new ATOM 0 HG LEU A 49 12.319 -1.063 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.629 0.711 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.125 -0.524 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.740 1.048 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.022 1.230 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.222 1.587 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.261 0.373 0.357 1.00 0.00 H new ATOM 723 N GLY A 50 13.711 -2.526 4.411 1.00 0.00 N ATOM 724 CA GLY A 50 14.044 -2.679 5.816 1.00 0.00 C ATOM 725 C GLY A 50 13.023 -3.507 6.569 1.00 0.00 C ATOM 726 O GLY A 50 13.360 -4.189 7.537 1.00 0.00 O ATOM 0 H GLY A 50 12.962 -3.133 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.024 -3.148 5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.119 -1.694 6.277 1.00 0.00 H new ATOM 730 N GLN A 51 11.770 -3.448 6.128 1.00 0.00 N ATOM 731 CA GLN A 51 10.699 -4.201 6.770 1.00 0.00 C ATOM 732 C GLN A 51 10.893 -5.697 6.559 1.00 0.00 C ATOM 733 O GLN A 51 11.638 -6.118 5.675 1.00 0.00 O ATOM 734 CB GLN A 51 9.340 -3.765 6.219 1.00 0.00 C ATOM 735 CG GLN A 51 8.251 -3.689 7.278 1.00 0.00 C ATOM 736 CD GLN A 51 8.197 -2.335 7.959 1.00 0.00 C ATOM 737 OE1 GLN A 51 9.153 -1.561 7.905 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.074 -2.043 8.605 1.00 0.00 N ATOM 0 H GLN A 51 11.472 -2.887 5.330 1.00 0.00 H new ATOM 0 HA GLN A 51 10.729 -3.995 7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.445 -2.788 5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.031 -4.464 5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.286 -3.899 6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.422 -4.462 8.027 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.307 -2.715 8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.979 -1.147 9.082 1.00 0.00 H new ATOM 747 N ASN A 52 10.221 -6.500 7.375 1.00 0.00 N ATOM 748 CA ASN A 52 10.329 -7.948 7.269 1.00 0.00 C ATOM 749 C ASN A 52 8.997 -8.627 7.577 1.00 0.00 C ATOM 750 O ASN A 52 8.919 -9.500 8.442 1.00 0.00 O ATOM 751 CB ASN A 52 11.413 -8.469 8.208 1.00 0.00 C ATOM 752 CG ASN A 52 11.103 -8.186 9.665 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.014 -7.030 10.080 1.00 0.00 O ATOM 754 ND2 ASN A 52 10.938 -9.243 10.452 1.00 0.00 N ATOM 0 H ASN A 52 9.598 -6.174 8.114 1.00 0.00 H new ATOM 0 HA ASN A 52 10.602 -8.189 6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.527 -9.544 8.066 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.367 -8.010 7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.729 -9.114 11.442 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.021 -10.184 10.066 1.00 0.00 H new ATOM 761 N PRO A 53 7.928 -8.240 6.864 1.00 0.00 N ATOM 762 CA PRO A 53 6.598 -8.824 7.060 1.00 0.00 C ATOM 763 C PRO A 53 6.548 -10.283 6.618 1.00 0.00 C ATOM 764 O PRO A 53 6.581 -10.581 5.424 1.00 0.00 O ATOM 765 CB PRO A 53 5.697 -7.960 6.174 1.00 0.00 C ATOM 766 CG PRO A 53 6.607 -7.417 5.128 1.00 0.00 C ATOM 767 CD PRO A 53 7.933 -7.214 5.806 1.00 0.00 C ATOM 0 HA PRO A 53 6.299 -8.831 8.108 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.893 -8.549 5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.229 -7.159 6.746 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.698 -8.109 4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.225 -6.478 4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.764 -7.352 5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.025 -6.209 6.219 1.00 0.00 H new ATOM 775 N THR A 54 6.472 -11.189 7.589 1.00 0.00 N ATOM 776 CA THR A 54 6.424 -12.619 7.303 1.00 0.00 C ATOM 777 C THR A 54 5.320 -12.947 6.301 1.00 0.00 C ATOM 778 O THR A 54 4.507 -12.090 5.956 1.00 0.00 O ATOM 779 CB THR A 54 6.205 -13.410 8.593 1.00 0.00 C ATOM 780 OG1 THR A 54 5.047 -12.954 9.270 1.00 0.00 O ATOM 781 CG2 THR A 54 7.368 -13.315 9.557 1.00 0.00 C ATOM 0 H THR A 54 6.442 -10.957 8.582 1.00 0.00 H new ATOM 0 HA THR A 54 7.380 -12.903 6.863 1.00 0.00 H new ATOM 0 HB THR A 54 6.096 -14.449 8.281 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.240 -12.100 9.710 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.148 -13.898 10.451 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.268 -13.705 9.081 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.527 -12.273 9.834 1.00 0.00 H new ATOM 789 N LYS A 55 5.300 -14.194 5.838 1.00 0.00 N ATOM 790 CA LYS A 55 4.296 -14.638 4.876 1.00 0.00 C ATOM 791 C LYS A 55 2.888 -14.369 5.399 1.00 0.00 C ATOM 792 O LYS A 55 2.097 -13.681 4.753 1.00 0.00 O ATOM 793 CB LYS A 55 4.472 -16.128 4.575 1.00 0.00 C ATOM 794 CG LYS A 55 4.810 -16.418 3.121 1.00 0.00 C ATOM 795 CD LYS A 55 3.844 -17.421 2.508 1.00 0.00 C ATOM 796 CE LYS A 55 3.484 -17.047 1.079 1.00 0.00 C ATOM 797 NZ LYS A 55 3.414 -18.243 0.194 1.00 0.00 N ATOM 0 H LYS A 55 5.967 -14.915 6.113 1.00 0.00 H new ATOM 0 HA LYS A 55 4.433 -14.073 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.263 -16.528 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.555 -16.654 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.783 -15.490 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.827 -16.804 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.292 -18.415 2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.938 -17.470 3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.524 -16.531 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.225 -16.349 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.166 -17.946 -0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.337 -18.721 0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.689 -18.898 0.552 1.00 0.00 H new ATOM 811 N CYS A 56 2.585 -14.908 6.576 1.00 0.00 N ATOM 812 CA CYS A 56 1.275 -14.718 7.187 1.00 0.00 C ATOM 813 C CYS A 56 0.993 -13.234 7.398 1.00 0.00 C ATOM 814 O CYS A 56 -0.154 -12.793 7.334 1.00 0.00 O ATOM 815 CB CYS A 56 1.198 -15.460 8.522 1.00 0.00 C ATOM 816 SG CYS A 56 -0.416 -16.206 8.858 1.00 0.00 S ATOM 0 H CYS A 56 3.228 -15.479 7.125 1.00 0.00 H new ATOM 0 HA CYS A 56 0.521 -15.125 6.513 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.958 -16.241 8.536 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.440 -14.765 9.326 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.383 -16.813 10.007 1.00 0.00 H new ATOM 822 N GLU A 57 2.053 -12.468 7.643 1.00 0.00 N ATOM 823 CA GLU A 57 1.929 -11.033 7.856 1.00 0.00 C ATOM 824 C GLU A 57 1.288 -10.357 6.649 1.00 0.00 C ATOM 825 O GLU A 57 0.197 -9.797 6.743 1.00 0.00 O ATOM 826 CB GLU A 57 3.305 -10.419 8.124 1.00 0.00 C ATOM 827 CG GLU A 57 3.357 -9.581 9.390 1.00 0.00 C ATOM 828 CD GLU A 57 4.765 -9.428 9.932 1.00 0.00 C ATOM 829 OE1 GLU A 57 5.391 -10.458 10.257 1.00 0.00 O ATOM 830 OE2 GLU A 57 5.241 -8.277 10.031 1.00 0.00 O ATOM 0 H GLU A 57 3.009 -12.820 7.699 1.00 0.00 H new ATOM 0 HA GLU A 57 1.288 -10.873 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.043 -11.218 8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.589 -9.798 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.942 -8.594 9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.727 -10.041 10.151 1.00 0.00 H new ATOM 837 N LEU A 58 1.977 -10.418 5.516 1.00 0.00 N ATOM 838 CA LEU A 58 1.480 -9.815 4.286 1.00 0.00 C ATOM 839 C LEU A 58 0.146 -10.435 3.880 1.00 0.00 C ATOM 840 O LEU A 58 -0.700 -9.774 3.281 1.00 0.00 O ATOM 841 CB LEU A 58 2.508 -9.980 3.163 1.00 0.00 C ATOM 842 CG LEU A 58 3.940 -9.591 3.539 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.943 -10.363 2.696 1.00 0.00 C ATOM 844 CD2 LEU A 58 4.149 -8.092 3.374 1.00 0.00 C ATOM 0 H LEU A 58 2.882 -10.879 5.424 1.00 0.00 H new ATOM 0 HA LEU A 58 1.322 -8.751 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.503 -11.020 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.195 -9.376 2.311 1.00 0.00 H new ATOM 0 HG LEU A 58 4.100 -9.848 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.955 -10.073 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.812 -11.432 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.782 -10.138 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.173 -7.835 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.968 -7.811 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.456 -7.555 4.021 1.00 0.00 H new ATOM 856 N ASP A 59 -0.039 -11.706 4.225 1.00 0.00 N ATOM 857 CA ASP A 59 -1.277 -12.411 3.910 1.00 0.00 C ATOM 858 C ASP A 59 -2.414 -11.915 4.791 1.00 0.00 C ATOM 859 O ASP A 59 -3.581 -11.977 4.407 1.00 0.00 O ATOM 860 CB ASP A 59 -1.090 -13.921 4.085 1.00 0.00 C ATOM 861 CG ASP A 59 -1.386 -14.690 2.812 1.00 0.00 C ATOM 862 OD1 ASP A 59 -2.571 -14.767 2.426 1.00 0.00 O ATOM 863 OD2 ASP A 59 -0.432 -15.216 2.201 1.00 0.00 O ATOM 0 H ASP A 59 0.652 -12.268 4.722 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.532 -12.209 2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.066 -14.124 4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.744 -14.276 4.881 1.00 0.00 H new ATOM 868 N ALA A 60 -2.066 -11.415 5.971 1.00 0.00 N ATOM 869 CA ALA A 60 -3.064 -10.902 6.893 1.00 0.00 C ATOM 870 C ALA A 60 -3.558 -9.533 6.440 1.00 0.00 C ATOM 871 O ALA A 60 -4.707 -9.165 6.683 1.00 0.00 O ATOM 872 CB ALA A 60 -2.498 -10.828 8.303 1.00 0.00 C ATOM 0 H ALA A 60 -1.105 -11.355 6.308 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.912 -11.587 6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.259 -10.442 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.196 -11.824 8.627 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.633 -10.165 8.313 1.00 0.00 H new ATOM 878 N ILE A 61 -2.685 -8.789 5.768 1.00 0.00 N ATOM 879 CA ILE A 61 -3.029 -7.469 5.269 1.00 0.00 C ATOM 880 C ILE A 61 -3.816 -7.584 3.965 1.00 0.00 C ATOM 881 O ILE A 61 -4.964 -7.145 3.885 1.00 0.00 O ATOM 882 CB ILE A 61 -1.763 -6.611 5.047 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.209 -6.129 6.389 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.061 -5.426 4.142 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.305 -7.136 7.065 1.00 0.00 C ATOM 0 H ILE A 61 -1.731 -9.083 5.558 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.649 -6.977 6.019 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.012 -7.231 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.656 -5.203 6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.041 -5.895 7.054 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.154 -4.838 4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.413 -5.786 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.830 -4.803 4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.051 -6.728 8.011 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.860 -8.055 7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.546 -7.352 6.419 1.00 0.00 H new ATOM 897 N ILE A 62 -3.193 -8.183 2.949 1.00 0.00 N ATOM 898 CA ILE A 62 -3.838 -8.362 1.647 1.00 0.00 C ATOM 899 C ILE A 62 -5.272 -8.856 1.813 1.00 0.00 C ATOM 900 O ILE A 62 -6.197 -8.328 1.195 1.00 0.00 O ATOM 901 CB ILE A 62 -3.055 -9.358 0.766 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.670 -8.795 0.443 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.825 -9.666 -0.514 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.874 -9.659 -0.509 1.00 0.00 C ATOM 0 H ILE A 62 -2.244 -8.552 3.002 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.847 -7.389 1.156 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.932 -10.290 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.783 -7.801 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.109 -8.678 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.255 -10.370 -1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.791 -10.103 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.980 -8.745 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.097 -9.199 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.730 -10.646 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.414 -9.756 -1.451 1.00 0.00 H new ATOM 916 N CYS A 63 -5.451 -9.868 2.658 1.00 0.00 N ATOM 917 CA CYS A 63 -6.773 -10.426 2.911 1.00 0.00 C ATOM 918 C CYS A 63 -7.742 -9.323 3.324 1.00 0.00 C ATOM 919 O CYS A 63 -8.912 -9.332 2.941 1.00 0.00 O ATOM 920 CB CYS A 63 -6.698 -11.498 4.001 1.00 0.00 C ATOM 921 SG CYS A 63 -8.032 -12.715 3.933 1.00 0.00 S ATOM 0 H CYS A 63 -4.697 -10.317 3.178 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.137 -10.887 1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.743 -12.017 3.920 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.714 -11.011 4.976 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.880 -13.579 4.892 1.00 0.00 H new ATOM 927 N GLU A 64 -7.236 -8.363 4.090 1.00 0.00 N ATOM 928 CA GLU A 64 -8.043 -7.237 4.538 1.00 0.00 C ATOM 929 C GLU A 64 -8.085 -6.165 3.455 1.00 0.00 C ATOM 930 O GLU A 64 -9.089 -5.475 3.283 1.00 0.00 O ATOM 931 CB GLU A 64 -7.481 -6.656 5.837 1.00 0.00 C ATOM 932 CG GLU A 64 -8.157 -7.196 7.087 1.00 0.00 C ATOM 933 CD GLU A 64 -7.680 -6.511 8.351 1.00 0.00 C ATOM 934 OE1 GLU A 64 -6.468 -6.584 8.645 1.00 0.00 O ATOM 935 OE2 GLU A 64 -8.518 -5.901 9.049 1.00 0.00 O ATOM 0 H GLU A 64 -6.269 -8.343 4.414 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.057 -7.588 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.414 -6.871 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.587 -5.571 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.236 -7.070 6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.967 -8.266 7.165 1.00 0.00 H new ATOM 942 N VAL A 65 -6.984 -6.045 2.716 1.00 0.00 N ATOM 943 CA VAL A 65 -6.889 -5.074 1.633 1.00 0.00 C ATOM 944 C VAL A 65 -7.893 -5.407 0.537 1.00 0.00 C ATOM 945 O VAL A 65 -8.482 -4.517 -0.077 1.00 0.00 O ATOM 946 CB VAL A 65 -5.471 -5.048 1.020 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.409 -4.082 -0.154 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.430 -4.687 2.074 1.00 0.00 C ATOM 0 H VAL A 65 -6.145 -6.610 2.849 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.108 -4.093 2.055 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.244 -6.048 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.402 -4.080 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.118 -4.395 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.663 -3.078 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.440 -4.675 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.653 -3.702 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.452 -5.426 2.875 1.00 0.00 H new ATOM 958 N ASP A 66 -8.074 -6.700 0.294 1.00 0.00 N ATOM 959 CA ASP A 66 -8.995 -7.170 -0.730 1.00 0.00 C ATOM 960 C ASP A 66 -10.382 -7.423 -0.149 1.00 0.00 C ATOM 961 O ASP A 66 -10.572 -8.340 0.650 1.00 0.00 O ATOM 962 CB ASP A 66 -8.460 -8.450 -1.370 1.00 0.00 C ATOM 963 CG ASP A 66 -7.335 -8.177 -2.349 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.187 -7.984 -1.896 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.602 -8.157 -3.568 1.00 0.00 O ATOM 0 H ASP A 66 -7.591 -7.445 0.797 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.079 -6.393 -1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.104 -9.123 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.272 -8.962 -1.886 1.00 0.00 H new ATOM 970 N GLU A 67 -11.347 -6.612 -0.563 1.00 0.00 N ATOM 971 CA GLU A 67 -12.719 -6.756 -0.091 1.00 0.00 C ATOM 972 C GLU A 67 -13.561 -7.519 -1.108 1.00 0.00 C ATOM 973 O GLU A 67 -14.778 -7.350 -1.174 1.00 0.00 O ATOM 974 CB GLU A 67 -13.337 -5.382 0.175 1.00 0.00 C ATOM 975 CG GLU A 67 -13.009 -4.825 1.551 1.00 0.00 C ATOM 976 CD GLU A 67 -13.631 -5.635 2.670 1.00 0.00 C ATOM 977 OE1 GLU A 67 -13.108 -6.728 2.973 1.00 0.00 O ATOM 978 OE2 GLU A 67 -14.642 -5.178 3.243 1.00 0.00 O ATOM 0 H GLU A 67 -11.206 -5.848 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.702 -7.322 0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.988 -4.682 -0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.420 -5.453 0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.927 -4.803 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.359 -3.795 1.615 1.00 0.00 H new ATOM 985 N ASP A 68 -12.902 -8.359 -1.903 1.00 0.00 N ATOM 986 CA ASP A 68 -13.585 -9.149 -2.919 1.00 0.00 C ATOM 987 C ASP A 68 -12.890 -10.492 -3.130 1.00 0.00 C ATOM 988 O ASP A 68 -13.048 -11.125 -4.173 1.00 0.00 O ATOM 989 CB ASP A 68 -13.638 -8.378 -4.240 1.00 0.00 C ATOM 990 CG ASP A 68 -12.258 -8.105 -4.808 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.522 -7.286 -4.216 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.912 -8.709 -5.844 1.00 0.00 O ATOM 0 H ASP A 68 -11.894 -8.509 -1.861 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.601 -9.339 -2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.220 -8.946 -4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.157 -7.432 -4.085 1.00 0.00 H new ATOM 997 N GLY A 69 -12.118 -10.924 -2.134 1.00 0.00 N ATOM 998 CA GLY A 69 -11.412 -12.188 -2.235 1.00 0.00 C ATOM 999 C GLY A 69 -10.575 -12.291 -3.497 1.00 0.00 C ATOM 1000 O GLY A 69 -10.684 -13.263 -4.244 1.00 0.00 O ATOM 0 H GLY A 69 -11.970 -10.420 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.767 -12.310 -1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.133 -13.005 -2.214 1.00 0.00 H new ATOM 1004 N SER A 70 -9.744 -11.282 -3.736 1.00 0.00 N ATOM 1005 CA SER A 70 -8.891 -11.260 -4.919 1.00 0.00 C ATOM 1006 C SER A 70 -7.414 -11.366 -4.542 1.00 0.00 C ATOM 1007 O SER A 70 -6.591 -11.808 -5.343 1.00 0.00 O ATOM 1008 CB SER A 70 -9.130 -9.979 -5.721 1.00 0.00 C ATOM 1009 OG SER A 70 -9.558 -8.921 -4.881 1.00 0.00 O ATOM 0 H SER A 70 -9.643 -10.470 -3.127 1.00 0.00 H new ATOM 0 HA SER A 70 -9.150 -12.124 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.212 -9.691 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.880 -10.163 -6.490 1.00 0.00 H new ATOM 0 HG SER A 70 -8.800 -8.332 -4.685 1.00 0.00 H new ATOM 1015 N GLY A 71 -7.082 -10.954 -3.321 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.702 -11.009 -2.873 1.00 0.00 C ATOM 1017 C GLY A 71 -4.793 -10.105 -3.686 1.00 0.00 C ATOM 1018 O GLY A 71 -3.571 -10.243 -3.642 1.00 0.00 O ATOM 0 H GLY A 71 -7.742 -10.584 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.652 -10.721 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.342 -12.036 -2.939 1.00 0.00 H new ATOM 1022 N THR A 72 -5.391 -9.178 -4.430 1.00 0.00 N ATOM 1023 CA THR A 72 -4.629 -8.250 -5.254 1.00 0.00 C ATOM 1024 C THR A 72 -4.992 -6.806 -4.922 1.00 0.00 C ATOM 1025 O THR A 72 -6.158 -6.485 -4.693 1.00 0.00 O ATOM 1026 CB THR A 72 -4.884 -8.524 -6.736 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.249 -8.328 -7.055 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.511 -9.930 -7.158 1.00 0.00 C ATOM 0 H THR A 72 -6.402 -9.051 -4.478 1.00 0.00 H new ATOM 0 HA THR A 72 -3.570 -8.398 -5.042 1.00 0.00 H new ATOM 0 HB THR A 72 -4.248 -7.820 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.391 -8.507 -8.008 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.717 -10.058 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.450 -10.096 -6.971 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.097 -10.649 -6.586 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.983 -5.942 -4.894 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.191 -4.534 -4.587 1.00 0.00 C ATOM 1038 C ILE A 73 -4.334 -3.703 -5.860 1.00 0.00 C ATOM 1039 O ILE A 73 -3.397 -3.594 -6.650 1.00 0.00 O ATOM 1040 CB ILE A 73 -3.029 -3.974 -3.746 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.748 -4.892 -2.554 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.347 -2.562 -3.276 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.641 -4.392 -1.652 1.00 0.00 C ATOM 0 H ILE A 73 -3.012 -6.194 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.116 -4.466 -4.014 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.134 -3.933 -4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.661 -5.002 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.484 -5.883 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.516 -2.180 -2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.502 -1.917 -4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.251 -2.576 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.497 -5.093 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.716 -4.308 -2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.911 -3.414 -1.253 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.515 -3.123 -6.052 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.785 -2.305 -7.230 1.00 0.00 C ATOM 1057 C ASP A 74 -4.983 -1.006 -7.194 1.00 0.00 C ATOM 1058 O ASP A 74 -4.051 -0.862 -6.403 1.00 0.00 O ATOM 1059 CB ASP A 74 -7.281 -1.994 -7.325 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.796 -2.070 -8.749 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.215 -2.833 -9.550 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -8.781 -1.369 -9.063 1.00 0.00 O ATOM 0 H ASP A 74 -6.301 -3.204 -5.407 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.479 -2.870 -8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.836 -2.696 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.469 -0.997 -6.926 1.00 0.00 H new ATOM 1067 N PHE A 75 -5.349 -0.067 -8.062 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.664 1.219 -8.136 1.00 0.00 C ATOM 1069 C PHE A 75 -4.698 1.939 -6.789 1.00 0.00 C ATOM 1070 O PHE A 75 -3.754 1.841 -6.004 1.00 0.00 O ATOM 1071 CB PHE A 75 -5.293 2.096 -9.222 1.00 0.00 C ATOM 1072 CG PHE A 75 -4.986 1.631 -10.617 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.762 1.916 -11.202 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -5.920 0.910 -11.342 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -3.476 1.489 -12.485 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -5.640 0.481 -12.625 1.00 0.00 C ATOM 1077 CZ PHE A 75 -4.416 0.771 -13.198 1.00 0.00 C ATOM 0 H PHE A 75 -6.117 -0.173 -8.725 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.622 1.031 -8.394 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.374 2.114 -9.083 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.939 3.120 -9.102 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.024 2.478 -10.649 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.878 0.681 -10.899 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.518 1.717 -12.930 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.377 -0.081 -13.180 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.195 0.437 -14.201 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.783 2.662 -6.523 1.00 0.00 N ATOM 1088 CA GLU A 76 -5.923 3.393 -5.267 1.00 0.00 C ATOM 1089 C GLU A 76 -6.044 2.437 -4.082 1.00 0.00 C ATOM 1090 O GLU A 76 -5.908 2.847 -2.929 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.139 4.322 -5.308 1.00 0.00 C ATOM 1092 CG GLU A 76 -8.372 3.693 -5.938 1.00 0.00 C ATOM 1093 CD GLU A 76 -8.556 4.098 -7.387 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -7.607 3.921 -8.179 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -9.651 4.592 -7.731 1.00 0.00 O ATOM 0 H GLU A 76 -6.575 2.757 -7.158 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.023 3.994 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.381 4.634 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.878 5.222 -5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.294 2.608 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.255 3.983 -5.368 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.299 1.162 -4.367 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.436 0.162 -3.316 1.00 0.00 C ATOM 1104 C GLU A 77 -5.181 0.107 -2.446 1.00 0.00 C ATOM 1105 O GLU A 77 -5.229 -0.361 -1.308 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.725 -1.215 -3.919 1.00 0.00 C ATOM 1107 CG GLU A 77 -8.126 -1.719 -3.618 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.377 -3.114 -4.162 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.396 -3.866 -4.345 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -9.554 -3.455 -4.404 1.00 0.00 O ATOM 0 H GLU A 77 -6.414 0.800 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.276 0.450 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.587 -1.167 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.998 -1.932 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.283 -1.721 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.855 -1.030 -4.045 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.061 0.590 -2.983 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.803 0.595 -2.241 1.00 0.00 C ATOM 1119 C PHE A 78 -2.852 1.584 -1.074 1.00 0.00 C ATOM 1120 O PHE A 78 -1.962 1.596 -0.228 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.624 0.907 -3.174 1.00 0.00 C ATOM 1122 CG PHE A 78 -1.479 2.359 -3.552 1.00 0.00 C ATOM 1123 CD1 PHE A 78 -2.579 3.116 -3.922 1.00 0.00 C ATOM 1124 CD2 PHE A 78 -0.230 2.959 -3.546 1.00 0.00 C ATOM 1125 CE1 PHE A 78 -2.435 4.445 -4.279 1.00 0.00 C ATOM 1126 CE2 PHE A 78 -0.082 4.286 -3.904 1.00 0.00 C ATOM 1127 CZ PHE A 78 -1.185 5.029 -4.271 1.00 0.00 C ATOM 0 H PHE A 78 -4.000 0.980 -3.923 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.655 -0.402 -1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.703 0.578 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.735 0.319 -4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.560 2.664 -3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.637 2.384 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.301 5.025 -4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.897 4.741 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.070 6.066 -4.551 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.905 2.392 -1.017 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.070 3.346 0.071 1.00 0.00 C ATOM 1139 C LEU A 79 -4.964 2.749 1.151 1.00 0.00 C ATOM 1140 O LEU A 79 -4.648 2.805 2.338 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.674 4.652 -0.445 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.865 5.354 -1.538 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.745 5.652 -2.743 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.238 6.633 -1.004 1.00 0.00 C ATOM 0 H LEU A 79 -4.654 2.405 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.090 3.563 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.673 4.445 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.791 5.337 0.395 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.063 4.687 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.154 6.151 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.144 4.719 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.568 6.299 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.667 7.117 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.023 7.306 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.574 6.394 -0.173 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.083 2.167 0.719 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.030 1.546 1.638 1.00 0.00 C ATOM 1158 C VAL A 80 -6.358 0.449 2.445 1.00 0.00 C ATOM 1159 O VAL A 80 -6.661 0.250 3.621 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.233 0.941 0.892 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -9.284 0.458 1.880 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -8.827 1.948 -0.077 1.00 0.00 C ATOM 0 H VAL A 80 -6.354 2.114 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.384 2.333 2.304 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.884 0.084 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.127 0.033 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.851 -0.303 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.628 1.297 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.676 1.499 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.161 2.828 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.072 2.240 -0.807 1.00 0.00 H new ATOM 1172 N MET A 81 -5.436 -0.260 1.803 1.00 0.00 N ATOM 1173 CA MET A 81 -4.709 -1.340 2.454 1.00 0.00 C ATOM 1174 C MET A 81 -4.164 -0.880 3.796 1.00 0.00 C ATOM 1175 O MET A 81 -4.192 -1.618 4.781 1.00 0.00 O ATOM 1176 CB MET A 81 -3.559 -1.814 1.566 1.00 0.00 C ATOM 1177 CG MET A 81 -2.888 -0.707 0.782 1.00 0.00 C ATOM 1178 SD MET A 81 -1.142 -1.035 0.500 1.00 0.00 S ATOM 1179 CE MET A 81 -0.582 -1.140 2.191 1.00 0.00 C ATOM 0 H MET A 81 -5.175 -0.104 0.829 1.00 0.00 H new ATOM 0 HA MET A 81 -5.399 -2.168 2.618 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.813 -2.308 2.189 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.937 -2.561 0.868 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.392 -0.586 -0.177 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.997 0.234 1.321 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.370 -0.619 2.292 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.319 -0.679 2.848 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.454 -2.187 2.468 1.00 0.00 H new ATOM 1189 N MET A 82 -3.674 0.349 3.819 1.00 0.00 N ATOM 1190 CA MET A 82 -3.121 0.931 5.030 1.00 0.00 C ATOM 1191 C MET A 82 -4.184 1.715 5.795 1.00 0.00 C ATOM 1192 O MET A 82 -4.123 1.819 7.021 1.00 0.00 O ATOM 1193 CB MET A 82 -1.935 1.825 4.685 1.00 0.00 C ATOM 1194 CG MET A 82 -0.597 1.179 5.012 1.00 0.00 C ATOM 1195 SD MET A 82 0.605 2.358 5.646 1.00 0.00 S ATOM 1196 CE MET A 82 0.500 3.612 4.380 1.00 0.00 C ATOM 0 H MET A 82 -3.648 0.966 3.007 1.00 0.00 H new ATOM 0 HA MET A 82 -2.775 0.123 5.675 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.966 2.069 3.623 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.023 2.765 5.230 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.749 0.390 5.748 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.198 0.706 4.115 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.922 4.544 4.756 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.058 3.289 3.501 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.544 3.769 4.109 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.167 2.250 5.073 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.244 3.005 5.706 1.00 0.00 C ATOM 1208 C VAL A 83 -6.996 2.121 6.697 1.00 0.00 C ATOM 1209 O VAL A 83 -7.360 2.562 7.788 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.240 3.560 4.663 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.375 4.311 5.345 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.527 4.457 3.662 1.00 0.00 C ATOM 0 H VAL A 83 -5.239 2.175 4.058 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.789 3.846 6.230 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.668 2.717 4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.064 4.693 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.908 3.636 6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.967 5.143 5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.247 4.837 2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.065 5.293 4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.758 3.884 3.144 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.216 0.868 6.309 1.00 0.00 N ATOM 1223 CA ARG A 84 -7.914 -0.087 7.160 1.00 0.00 C ATOM 1224 C ARG A 84 -7.058 -0.468 8.365 1.00 0.00 C ATOM 1225 O ARG A 84 -7.576 -0.905 9.393 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.280 -1.340 6.363 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.124 -1.055 5.133 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.114 -2.176 4.864 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.383 -1.675 4.345 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.307 -1.078 5.095 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -12.108 -0.908 6.396 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.435 -0.651 4.542 1.00 0.00 N ATOM 0 H ARG A 84 -6.920 0.491 5.409 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.828 0.385 7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.364 -1.845 6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.821 -2.028 7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.663 -0.117 5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.475 -0.926 4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.682 -2.877 4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.293 -2.730 5.786 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.573 -1.789 3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.243 -1.235 6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.820 -0.450 6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.594 -0.780 3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.143 -0.194 5.116 1.00 0.00 H new ATOM 1246 N GLN A 85 -5.746 -0.292 8.235 1.00 0.00 N ATOM 1247 CA GLN A 85 -4.820 -0.608 9.316 1.00 0.00 C ATOM 1248 C GLN A 85 -4.316 0.667 9.985 1.00 0.00 C ATOM 1249 O GLN A 85 -3.354 0.641 10.751 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.633 -1.420 8.789 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.011 -2.447 7.733 1.00 0.00 C ATOM 1252 CD GLN A 85 -4.899 -3.547 8.280 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -5.567 -3.372 9.298 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -4.911 -4.689 7.602 1.00 0.00 N ATOM 0 H GLN A 85 -5.301 0.068 7.391 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.357 -1.204 10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -2.895 -0.736 8.369 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.155 -1.931 9.625 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.524 -1.946 6.912 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.104 -2.889 7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.341 -4.790 6.762 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.491 -5.465 7.921 1.00 0.00 H new ATOM 1263 N MET A 86 -4.971 1.786 9.685 1.00 0.00 N ATOM 1264 CA MET A 86 -4.591 3.072 10.251 1.00 0.00 C ATOM 1265 C MET A 86 -5.681 3.598 11.179 1.00 0.00 C ATOM 1266 O MET A 86 -5.396 4.090 12.271 1.00 0.00 O ATOM 1267 CB MET A 86 -4.323 4.076 9.129 1.00 0.00 C ATOM 1268 CG MET A 86 -2.865 4.128 8.699 1.00 0.00 C ATOM 1269 SD MET A 86 -2.450 5.650 7.826 1.00 0.00 S ATOM 1270 CE MET A 86 -1.781 4.995 6.298 1.00 0.00 C ATOM 0 H MET A 86 -5.769 1.825 9.051 1.00 0.00 H new ATOM 0 HA MET A 86 -3.681 2.938 10.835 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.939 3.819 8.267 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.632 5.068 9.458 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.228 4.033 9.578 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.650 3.275 8.056 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.153 5.749 5.823 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.184 4.109 6.513 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.598 4.729 5.628 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.931 3.488 10.739 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.066 3.949 11.532 1.00 0.00 C ATOM 1282 C LYS A 87 -8.072 3.293 12.910 1.00 0.00 C ATOM 1283 O LYS A 87 -7.876 3.960 13.926 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.379 3.644 10.808 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.579 4.461 9.542 1.00 0.00 C ATOM 1286 CD LYS A 87 -9.998 3.587 8.368 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.367 3.982 7.838 1.00 0.00 C ATOM 1288 NZ LYS A 87 -11.413 5.414 7.431 1.00 0.00 N ATOM 0 H LYS A 87 -7.184 3.084 9.837 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.970 5.027 11.662 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.407 2.584 10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.211 3.832 11.487 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.338 5.223 9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.654 4.983 9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.260 3.670 7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.015 2.542 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.621 3.354 6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.120 3.798 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.007 5.946 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.450 5.807 7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.814 5.490 6.474 1.00 0.00 H new ATOM 1302 N GLU A 88 -8.296 1.983 12.935 1.00 0.00 N ATOM 1303 CA GLU A 88 -8.327 1.235 14.187 1.00 0.00 C ATOM 1304 C GLU A 88 -8.532 -0.254 13.928 1.00 0.00 C ATOM 1305 O GLU A 88 -8.777 -0.668 12.795 1.00 0.00 O ATOM 1306 CB GLU A 88 -9.441 1.764 15.094 1.00 0.00 C ATOM 1307 CG GLU A 88 -10.808 1.782 14.430 1.00 0.00 C ATOM 1308 CD GLU A 88 -11.525 3.106 14.606 1.00 0.00 C ATOM 1309 OE1 GLU A 88 -12.154 3.304 15.667 1.00 0.00 O ATOM 1310 OE2 GLU A 88 -11.458 3.945 13.683 1.00 0.00 O ATOM 0 H GLU A 88 -8.459 1.417 12.102 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.367 1.370 14.685 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.490 1.148 15.992 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.188 2.775 15.414 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.694 1.574 13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.421 0.983 14.847 1.00 0.00 H new ATOM 1317 N ASP A 89 -8.428 -1.054 14.984 1.00 0.00 N ATOM 1318 CA ASP A 89 -8.602 -2.498 14.868 1.00 0.00 C ATOM 1319 C ASP A 89 -9.935 -2.935 15.466 1.00 0.00 C ATOM 1320 O ASP A 89 -10.063 -4.048 15.976 1.00 0.00 O ATOM 1321 CB ASP A 89 -7.454 -3.228 15.569 1.00 0.00 C ATOM 1322 CG ASP A 89 -7.042 -4.491 14.837 1.00 0.00 C ATOM 1323 OD1 ASP A 89 -6.904 -4.440 13.596 1.00 0.00 O ATOM 1324 OD2 ASP A 89 -6.856 -5.530 15.504 1.00 0.00 O ATOM 0 H ASP A 89 -8.224 -0.728 15.929 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.597 -2.756 13.809 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.596 -2.560 15.648 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.755 -3.482 16.586 1.00 0.00 H new ATOM 1329 N ALA A 90 -10.927 -2.053 15.397 1.00 0.00 N ATOM 1330 CA ALA A 90 -12.251 -2.349 15.930 1.00 0.00 C ATOM 1331 C ALA A 90 -13.337 -1.651 15.120 1.00 0.00 C ATOM 1332 O ALA A 90 -14.405 -2.265 14.910 1.00 0.00 O ATOM 1333 CB ALA A 90 -12.334 -1.939 17.393 1.00 0.00 C ATOM 1334 OXT ALA A 90 -13.113 -0.496 14.702 1.00 0.00 O ATOM 0 H ALA A 90 -10.839 -1.128 14.977 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.414 -3.424 15.856 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.328 -2.166 17.779 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.588 -2.488 17.968 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.145 -0.869 17.482 1.00 0.00 H new TER 1340 ALA A 90 ATOM 1341 N ARG B 115 2.183 -3.033 9.072 1.00 0.00 N ATOM 1342 CA ARG B 115 0.813 -2.639 8.646 1.00 0.00 C ATOM 1343 C ARG B 115 0.628 -1.128 8.718 1.00 0.00 C ATOM 1344 O ARG B 115 0.448 -0.466 7.695 1.00 0.00 O ATOM 1345 CB ARG B 115 -0.201 -3.339 9.554 1.00 0.00 C ATOM 1346 CG ARG B 115 0.018 -4.842 9.665 1.00 0.00 C ATOM 1347 CD ARG B 115 0.409 -5.250 11.077 1.00 0.00 C ATOM 1348 NE ARG B 115 -0.685 -5.919 11.776 1.00 0.00 N ATOM 1349 CZ ARG B 115 -0.518 -6.684 12.853 1.00 0.00 C ATOM 1350 NH1 ARG B 115 0.694 -6.879 13.358 1.00 0.00 N ATOM 1351 NH2 ARG B 115 -1.568 -7.257 13.427 1.00 0.00 N ATOM 0 HA ARG B 115 0.660 -2.940 7.610 1.00 0.00 H new ATOM 0 HB2 ARG B 115 -0.150 -2.898 10.550 1.00 0.00 H new ATOM 0 HB3 ARG B 115 -1.206 -3.153 9.174 1.00 0.00 H new ATOM 0 HG2 ARG B 115 -0.893 -5.365 9.374 1.00 0.00 H new ATOM 0 HG3 ARG B 115 0.798 -5.149 8.968 1.00 0.00 H new ATOM 0 HD2 ARG B 115 1.273 -5.914 11.037 1.00 0.00 H new ATOM 0 HD3 ARG B 115 0.712 -4.366 11.639 1.00 0.00 H new ATOM 0 HE ARG B 115 -1.632 -5.793 11.418 1.00 0.00 H new ATOM 0 HH11 ARG B 115 1.505 -6.442 12.921 1.00 0.00 H new ATOM 0 HH12 ARG B 115 0.814 -7.466 14.183 1.00 0.00 H new ATOM 0 HH21 ARG B 115 -2.502 -7.111 13.043 1.00 0.00 H new ATOM 0 HH22 ARG B 115 -1.441 -7.843 14.252 1.00 0.00 H new ATOM 1367 N MET B 116 0.675 -0.586 9.930 1.00 0.00 N ATOM 1368 CA MET B 116 0.515 0.849 10.132 1.00 0.00 C ATOM 1369 C MET B 116 1.870 1.545 10.177 1.00 0.00 C ATOM 1370 O MET B 116 2.902 0.903 10.376 1.00 0.00 O ATOM 1371 CB MET B 116 -0.255 1.124 11.424 1.00 0.00 C ATOM 1372 CG MET B 116 -0.529 2.600 11.665 1.00 0.00 C ATOM 1373 SD MET B 116 -1.666 2.881 13.036 1.00 0.00 S ATOM 1374 CE MET B 116 -0.524 3.347 14.334 1.00 0.00 C ATOM 0 H MET B 116 0.823 -1.119 10.787 1.00 0.00 H new ATOM 0 HA MET B 116 -0.052 1.247 9.290 1.00 0.00 H new ATOM 0 HB2 MET B 116 -1.203 0.587 11.394 1.00 0.00 H new ATOM 0 HB3 MET B 116 0.310 0.725 12.266 1.00 0.00 H new ATOM 0 HG2 MET B 116 0.412 3.112 11.868 1.00 0.00 H new ATOM 0 HG3 MET B 116 -0.943 3.041 10.758 1.00 0.00 H new ATOM 0 HE1 MET B 116 -1.078 3.553 15.250 1.00 0.00 H new ATOM 0 HE2 MET B 116 0.178 2.532 14.511 1.00 0.00 H new ATOM 0 HE3 MET B 116 0.024 4.240 14.033 1.00 0.00 H new ATOM 1384 N SER B 117 1.861 2.860 9.988 1.00 0.00 N ATOM 1385 CA SER B 117 3.090 3.644 10.005 1.00 0.00 C ATOM 1386 C SER B 117 4.080 3.126 8.968 1.00 0.00 C ATOM 1387 O SER B 117 5.291 3.138 9.189 1.00 0.00 O ATOM 1388 CB SER B 117 3.724 3.615 11.395 1.00 0.00 C ATOM 1389 OG SER B 117 4.466 2.423 11.594 1.00 0.00 O ATOM 0 H SER B 117 1.015 3.406 9.821 1.00 0.00 H new ATOM 0 HA SER B 117 2.836 4.674 9.755 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.378 4.479 11.518 1.00 0.00 H new ATOM 0 HB3 SER B 117 2.946 3.694 12.154 1.00 0.00 H new ATOM 0 HG SER B 117 3.855 1.657 11.612 1.00 0.00 H new ATOM 1395 N ALA B 118 3.555 2.681 7.833 1.00 0.00 N ATOM 1396 CA ALA B 118 4.389 2.168 6.755 1.00 0.00 C ATOM 1397 C ALA B 118 5.013 3.307 5.951 1.00 0.00 C ATOM 1398 O ALA B 118 5.762 3.069 5.004 1.00 0.00 O ATOM 1399 CB ALA B 118 3.576 1.262 5.844 1.00 0.00 C ATOM 0 H ALA B 118 2.554 2.665 7.636 1.00 0.00 H new ATOM 0 HA ALA B 118 5.197 1.588 7.200 1.00 0.00 H new ATOM 0 HB1 ALA B 118 4.212 0.886 5.043 1.00 0.00 H new ATOM 0 HB2 ALA B 118 3.184 0.424 6.420 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.748 1.826 5.415 1.00 0.00 H new ATOM 1405 N ASP B 119 4.702 4.548 6.336 1.00 0.00 N ATOM 1406 CA ASP B 119 5.227 5.729 5.654 1.00 0.00 C ATOM 1407 C ASP B 119 6.711 5.575 5.333 1.00 0.00 C ATOM 1408 O ASP B 119 7.204 6.140 4.358 1.00 0.00 O ATOM 1409 CB ASP B 119 5.010 6.975 6.515 1.00 0.00 C ATOM 1410 CG ASP B 119 5.439 8.246 5.810 1.00 0.00 C ATOM 1411 OD1 ASP B 119 6.660 8.484 5.705 1.00 0.00 O ATOM 1412 OD2 ASP B 119 4.553 9.006 5.363 1.00 0.00 O ATOM 0 H ASP B 119 4.086 4.759 7.121 1.00 0.00 H new ATOM 0 HA ASP B 119 4.686 5.838 4.714 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.956 7.049 6.783 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.569 6.872 7.445 1.00 0.00 H new ATOM 1417 N ALA B 120 7.419 4.808 6.156 1.00 0.00 N ATOM 1418 CA ALA B 120 8.846 4.583 5.949 1.00 0.00 C ATOM 1419 C ALA B 120 9.124 4.103 4.530 1.00 0.00 C ATOM 1420 O ALA B 120 9.695 4.835 3.721 1.00 0.00 O ATOM 1421 CB ALA B 120 9.380 3.584 6.964 1.00 0.00 C ATOM 0 H ALA B 120 7.030 4.333 6.970 1.00 0.00 H new ATOM 0 HA ALA B 120 9.362 5.533 6.091 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.445 3.428 6.795 1.00 0.00 H new ATOM 0 HB2 ALA B 120 9.225 3.971 7.971 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.853 2.636 6.854 1.00 0.00 H new ATOM 1427 N MET B 121 8.709 2.877 4.224 1.00 0.00 N ATOM 1428 CA MET B 121 8.909 2.321 2.890 1.00 0.00 C ATOM 1429 C MET B 121 8.347 3.273 1.842 1.00 0.00 C ATOM 1430 O MET B 121 8.933 3.465 0.777 1.00 0.00 O ATOM 1431 CB MET B 121 8.234 0.949 2.771 1.00 0.00 C ATOM 1432 CG MET B 121 7.921 0.534 1.337 1.00 0.00 C ATOM 1433 SD MET B 121 6.186 0.769 0.907 1.00 0.00 S ATOM 1434 CE MET B 121 5.396 -0.163 2.213 1.00 0.00 C ATOM 0 H MET B 121 8.235 2.253 4.877 1.00 0.00 H new ATOM 0 HA MET B 121 9.979 2.195 2.722 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.881 0.197 3.223 1.00 0.00 H new ATOM 0 HB3 MET B 121 7.308 0.960 3.346 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.542 1.112 0.652 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.186 -0.514 1.201 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.316 -0.146 2.070 1.00 0.00 H new ATOM 0 HE2 MET B 121 5.749 -1.194 2.189 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.641 0.282 3.177 1.00 0.00 H new ATOM 1444 N LEU B 122 7.209 3.872 2.164 1.00 0.00 N ATOM 1445 CA LEU B 122 6.564 4.812 1.265 1.00 0.00 C ATOM 1446 C LEU B 122 7.485 5.999 1.006 1.00 0.00 C ATOM 1447 O LEU B 122 7.555 6.513 -0.109 1.00 0.00 O ATOM 1448 CB LEU B 122 5.230 5.277 1.860 1.00 0.00 C ATOM 1449 CG LEU B 122 4.067 4.287 1.706 1.00 0.00 C ATOM 1450 CD1 LEU B 122 4.244 3.084 2.624 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.741 4.977 1.992 1.00 0.00 C ATOM 0 H LEU B 122 6.714 3.722 3.043 1.00 0.00 H new ATOM 0 HA LEU B 122 6.362 4.319 0.314 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.375 5.481 2.921 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.949 6.219 1.390 1.00 0.00 H new ATOM 0 HG LEU B 122 4.064 3.930 0.676 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.405 2.400 2.493 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.173 2.571 2.376 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.280 3.419 3.660 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.927 4.261 1.878 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.745 5.364 3.011 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.601 5.800 1.292 1.00 0.00 H new ATOM 1463 N ARG B 123 8.212 6.413 2.042 1.00 0.00 N ATOM 1464 CA ARG B 123 9.153 7.520 1.922 1.00 0.00 C ATOM 1465 C ARG B 123 10.544 7.012 1.536 1.00 0.00 C ATOM 1466 O ARG B 123 11.524 7.755 1.597 1.00 0.00 O ATOM 1467 CB ARG B 123 9.229 8.297 3.237 1.00 0.00 C ATOM 1468 CG ARG B 123 9.855 9.674 3.095 1.00 0.00 C ATOM 1469 CD ARG B 123 9.503 10.571 4.269 1.00 0.00 C ATOM 1470 NE ARG B 123 10.389 10.354 5.411 1.00 0.00 N ATOM 1471 CZ ARG B 123 10.136 10.797 6.640 1.00 0.00 C ATOM 1472 NH1 ARG B 123 9.026 11.482 6.891 1.00 0.00 N ATOM 1473 NH2 ARG B 123 10.993 10.554 7.623 1.00 0.00 N ATOM 0 H ARG B 123 8.166 5.998 2.972 1.00 0.00 H new ATOM 0 HA ARG B 123 8.796 8.185 1.135 1.00 0.00 H new ATOM 0 HB2 ARG B 123 8.224 8.404 3.644 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.805 7.718 3.959 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.938 9.576 3.023 1.00 0.00 H new ATOM 0 HG3 ARG B 123 9.514 10.136 2.168 1.00 0.00 H new ATOM 0 HD2 ARG B 123 9.562 11.614 3.958 1.00 0.00 H new ATOM 0 HD3 ARG B 123 8.472 10.386 4.570 1.00 0.00 H new ATOM 0 HE ARG B 123 11.252 9.832 5.257 1.00 0.00 H new ATOM 0 HH11 ARG B 123 8.362 11.671 6.140 1.00 0.00 H new ATOM 0 HH12 ARG B 123 8.837 11.819 7.835 1.00 0.00 H new ATOM 0 HH21 ARG B 123 11.846 10.027 7.437 1.00 0.00 H new ATOM 0 HH22 ARG B 123 10.798 10.894 8.565 1.00 0.00 H new ATOM 1487 N ALA B 124 10.625 5.738 1.153 1.00 0.00 N ATOM 1488 CA ALA B 124 11.896 5.129 0.774 1.00 0.00 C ATOM 1489 C ALA B 124 12.236 5.390 -0.688 1.00 0.00 C ATOM 1490 O ALA B 124 13.100 6.210 -1.001 1.00 0.00 O ATOM 1491 CB ALA B 124 11.858 3.629 1.040 1.00 0.00 C ATOM 0 H ALA B 124 9.824 5.109 1.098 1.00 0.00 H new ATOM 0 HA ALA B 124 12.675 5.588 1.383 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.811 3.184 0.754 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.679 3.452 2.101 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.057 3.176 0.456 1.00 0.00 H new ATOM 1497 N LEU B 125 11.561 4.672 -1.578 1.00 0.00 N ATOM 1498 CA LEU B 125 11.795 4.804 -3.010 1.00 0.00 C ATOM 1499 C LEU B 125 11.229 6.112 -3.563 1.00 0.00 C ATOM 1500 O LEU B 125 11.454 6.448 -4.725 1.00 0.00 O ATOM 1501 CB LEU B 125 11.181 3.611 -3.739 1.00 0.00 C ATOM 1502 CG LEU B 125 11.549 2.251 -3.145 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.476 1.220 -3.458 1.00 0.00 C ATOM 1504 CD2 LEU B 125 12.903 1.793 -3.661 1.00 0.00 C ATOM 0 H LEU B 125 10.844 3.990 -1.331 1.00 0.00 H new ATOM 0 HA LEU B 125 12.872 4.823 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.096 3.715 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.497 3.636 -4.782 1.00 0.00 H new ATOM 0 HG LEU B 125 11.613 2.355 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.757 0.259 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.526 1.544 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.375 1.117 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.149 0.823 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU B 125 12.868 1.707 -4.747 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.665 2.520 -3.379 1.00 0.00 H new ATOM 1516 N LEU B 126 10.495 6.850 -2.731 1.00 0.00 N ATOM 1517 CA LEU B 126 9.905 8.117 -3.155 1.00 0.00 C ATOM 1518 C LEU B 126 10.954 9.023 -3.795 1.00 0.00 C ATOM 1519 O LEU B 126 11.933 9.407 -3.154 1.00 0.00 O ATOM 1520 CB LEU B 126 9.261 8.830 -1.964 1.00 0.00 C ATOM 1521 CG LEU B 126 8.115 9.781 -2.319 1.00 0.00 C ATOM 1522 CD1 LEU B 126 7.666 10.556 -1.090 1.00 0.00 C ATOM 1523 CD2 LEU B 126 8.533 10.737 -3.427 1.00 0.00 C ATOM 0 H LEU B 126 10.296 6.593 -1.764 1.00 0.00 H new ATOM 0 HA LEU B 126 9.138 7.897 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU B 126 8.887 8.078 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU B 126 10.031 9.394 -1.438 1.00 0.00 H new ATOM 0 HG LEU B 126 7.276 9.186 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU B 126 6.851 11.227 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU B 126 7.323 9.859 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU B 126 8.502 11.138 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.704 11.404 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU B 126 9.389 11.325 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU B 126 8.806 10.167 -4.315 1.00 0.00 H new ATOM 1535 N GLY B 127 10.741 9.361 -5.063 1.00 0.00 N ATOM 1536 CA GLY B 127 11.675 10.219 -5.769 1.00 0.00 C ATOM 1537 C GLY B 127 12.901 9.469 -6.251 1.00 0.00 C ATOM 1538 O GLY B 127 13.854 9.272 -5.498 1.00 0.00 O ATOM 0 H GLY B 127 9.939 9.056 -5.614 1.00 0.00 H new ATOM 0 HA2 GLY B 127 11.172 10.673 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY B 127 11.985 11.032 -5.112 1.00 0.00 H new ATOM 1542 N SER B 128 12.877 9.049 -7.512 1.00 0.00 N ATOM 1543 CA SER B 128 13.994 8.317 -8.096 1.00 0.00 C ATOM 1544 C SER B 128 14.566 9.062 -9.298 1.00 0.00 C ATOM 1545 O SER B 128 13.921 9.165 -10.342 1.00 0.00 O ATOM 1546 CB SER B 128 13.548 6.915 -8.516 1.00 0.00 C ATOM 1547 OG SER B 128 13.668 5.998 -7.441 1.00 0.00 O ATOM 0 H SER B 128 12.095 9.203 -8.149 1.00 0.00 H new ATOM 0 HA SER B 128 14.774 8.232 -7.340 1.00 0.00 H new ATOM 0 HB2 SER B 128 12.513 6.946 -8.858 1.00 0.00 H new ATOM 0 HB3 SER B 128 14.152 6.575 -9.357 1.00 0.00 H new ATOM 0 HG SER B 128 13.375 5.110 -7.734 1.00 0.00 H new ATOM 1553 N LYS B 129 15.781 9.579 -9.143 1.00 0.00 N ATOM 1554 CA LYS B 129 16.440 10.315 -10.216 1.00 0.00 C ATOM 1555 C LYS B 129 17.882 10.643 -9.844 1.00 0.00 C ATOM 1556 O LYS B 129 18.788 10.530 -10.670 1.00 0.00 O ATOM 1557 CB LYS B 129 15.675 11.604 -10.526 1.00 0.00 C ATOM 1558 CG LYS B 129 15.237 12.365 -9.285 1.00 0.00 C ATOM 1559 CD LYS B 129 14.514 13.655 -9.646 1.00 0.00 C ATOM 1560 CE LYS B 129 13.191 13.779 -8.910 1.00 0.00 C ATOM 1561 NZ LYS B 129 12.254 14.706 -9.604 1.00 0.00 N ATOM 0 H LYS B 129 16.328 9.502 -8.286 1.00 0.00 H new ATOM 0 HA LYS B 129 16.447 9.683 -11.104 1.00 0.00 H new ATOM 0 HB2 LYS B 129 16.304 12.252 -11.136 1.00 0.00 H new ATOM 0 HB3 LYS B 129 14.795 11.360 -11.122 1.00 0.00 H new ATOM 0 HG2 LYS B 129 14.581 11.735 -8.684 1.00 0.00 H new ATOM 0 HG3 LYS B 129 16.108 12.595 -8.672 1.00 0.00 H new ATOM 0 HD2 LYS B 129 15.148 14.508 -9.403 1.00 0.00 H new ATOM 0 HD3 LYS B 129 14.337 13.685 -10.721 1.00 0.00 H new ATOM 0 HE2 LYS B 129 12.730 12.795 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS B 129 13.372 14.137 -7.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 11.363 14.763 -9.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 12.683 15.652 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 12.061 14.351 -10.562 1.00 0.00 H new ATOM 1575 N HIS B 130 18.088 11.048 -8.595 1.00 0.00 N ATOM 1576 CA HIS B 130 19.421 11.390 -8.113 1.00 0.00 C ATOM 1577 C HIS B 130 19.904 10.377 -7.080 1.00 0.00 C ATOM 1578 O HIS B 130 19.194 9.427 -6.749 1.00 0.00 O ATOM 1579 CB HIS B 130 19.421 12.794 -7.505 1.00 0.00 C ATOM 1580 CG HIS B 130 19.661 13.881 -8.507 1.00 0.00 C ATOM 1581 ND1 HIS B 130 20.705 13.857 -9.407 1.00 0.00 N ATOM 1582 CD2 HIS B 130 18.983 15.028 -8.750 1.00 0.00 C ATOM 1583 CE1 HIS B 130 20.661 14.943 -10.159 1.00 0.00 C ATOM 1584 NE2 HIS B 130 19.626 15.669 -9.781 1.00 0.00 N ATOM 0 H HIS B 130 17.349 11.147 -7.899 1.00 0.00 H new ATOM 0 HA HIS B 130 20.103 11.368 -8.963 1.00 0.00 H new ATOM 0 HB2 HIS B 130 18.463 12.968 -7.014 1.00 0.00 H new ATOM 0 HB3 HIS B 130 20.189 12.847 -6.733 1.00 0.00 H new ATOM 0 HD2 HIS B 130 18.102 15.374 -8.230 1.00 0.00 H new ATOM 0 HE1 HIS B 130 21.354 15.194 -10.948 1.00 0.00 H new ATOM 0 HE2 HIS B 130 19.348 16.562 -10.188 1.00 0.00 H new ATOM 1593 N LYS B 131 21.115 10.585 -6.574 1.00 0.00 N ATOM 1594 CA LYS B 131 21.692 9.690 -5.579 1.00 0.00 C ATOM 1595 C LYS B 131 22.767 10.403 -4.765 1.00 0.00 C ATOM 1596 O LYS B 131 23.081 9.925 -3.654 1.00 0.00 O ATOM 1597 CB LYS B 131 22.285 8.454 -6.257 1.00 0.00 C ATOM 1598 CG LYS B 131 23.367 8.778 -7.274 1.00 0.00 C ATOM 1599 CD LYS B 131 24.065 7.520 -7.765 1.00 0.00 C ATOM 1600 CE LYS B 131 25.556 7.747 -7.952 1.00 0.00 C ATOM 1601 NZ LYS B 131 26.354 6.555 -7.553 1.00 0.00 N ATOM 1602 OXT LYS B 131 23.287 11.431 -5.245 1.00 0.00 O ATOM 0 H LYS B 131 21.716 11.366 -6.837 1.00 0.00 H new ATOM 0 HA LYS B 131 20.896 9.378 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS B 131 22.701 7.796 -5.494 1.00 0.00 H new ATOM 0 HB3 LYS B 131 21.486 7.903 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS B 131 22.926 9.305 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS B 131 24.099 9.450 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS B 131 23.906 6.712 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS B 131 23.623 7.202 -8.709 1.00 0.00 H new ATOM 0 HE2 LYS B 131 25.759 7.986 -8.996 1.00 0.00 H new ATOM 0 HE3 LYS B 131 25.869 8.608 -7.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 27.365 6.751 -7.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 26.181 6.341 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 26.074 5.739 -8.134 1.00 0.00 H new TER 1616 LYS B 131 HETATM 1617 CA CA A 132 -8.950 -6.196 -4.541 1.00 0.00 CA HETATM 1618 CA CA A 133 2.276 -6.360 -10.421 1.00 0.00 CA