USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 699 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.085 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= -0.0838 (180deg=-0.565) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 16 THR OG1 : rot 13:sc= -0.705 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -63:sc= 0.0412 USER MOD Single : A 53 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.055) USER MOD Single : A 55 GLN : amide:sc= -0.426 K(o=-0.43,f=-3!) USER MOD Single : A 62 ASN : amide:sc= 0.015 X(o=0.015,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -1:sc= -5.24! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.47) USER MOD Single : A 75 MET CE :methyl 173:sc= -4.7! (180deg=-4.98) USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= -0.843 (180deg=-1.92) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.012 -11.196 8.634 1.00 0.00 N ATOM 2 CA MET A 1 -6.575 -12.453 8.171 1.00 0.00 C ATOM 3 C MET A 1 -6.496 -12.561 6.647 1.00 0.00 C ATOM 4 O MET A 1 -6.035 -11.637 5.979 1.00 0.00 O ATOM 5 CB MET A 1 -8.036 -12.551 8.615 1.00 0.00 C ATOM 6 CG MET A 1 -8.151 -13.241 9.975 1.00 0.00 C ATOM 7 SD MET A 1 -9.397 -14.517 9.910 1.00 0.00 S ATOM 8 CE MET A 1 -9.230 -15.199 11.551 1.00 0.00 C ATOM 0 H1 MET A 1 -5.163 -11.385 9.205 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.755 -10.608 7.815 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.714 -10.694 9.214 1.00 0.00 H new ATOM 0 HA MET A 1 -5.998 -13.270 8.604 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.470 -11.553 8.672 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.609 -13.106 7.872 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.190 -13.673 10.255 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.407 -12.510 10.742 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.942 -16.015 11.680 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.217 -15.577 11.687 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.430 -14.423 12.290 1.00 0.00 H new ATOM 18 N MET A 2 -6.952 -13.698 6.142 1.00 0.00 N ATOM 19 CA MET A 2 -6.939 -13.939 4.709 1.00 0.00 C ATOM 20 C MET A 2 -5.506 -13.983 4.174 1.00 0.00 C ATOM 21 O MET A 2 -4.702 -13.100 4.469 1.00 0.00 O ATOM 22 CB MET A 2 -7.716 -12.829 3.997 1.00 0.00 C ATOM 23 CG MET A 2 -8.760 -13.415 3.045 1.00 0.00 C ATOM 24 SD MET A 2 -10.267 -13.768 3.935 1.00 0.00 S ATOM 25 CE MET A 2 -11.388 -14.002 2.566 1.00 0.00 C ATOM 0 H MET A 2 -7.333 -14.462 6.700 1.00 0.00 H new ATOM 0 HA MET A 2 -7.409 -14.904 4.517 1.00 0.00 H new ATOM 0 HB2 MET A 2 -8.207 -12.193 4.734 1.00 0.00 H new ATOM 0 HB3 MET A 2 -7.025 -12.196 3.440 1.00 0.00 H new ATOM 0 HG2 MET A 2 -8.962 -12.713 2.236 1.00 0.00 H new ATOM 0 HG3 MET A 2 -8.376 -14.327 2.587 1.00 0.00 H new ATOM 0 HE1 MET A 2 -12.383 -14.232 2.946 1.00 0.00 H new ATOM 0 HE2 MET A 2 -11.429 -13.091 1.970 1.00 0.00 H new ATOM 0 HE3 MET A 2 -11.037 -14.826 1.945 1.00 0.00 H new ATOM 35 N VAL A 3 -5.231 -15.020 3.396 1.00 0.00 N ATOM 36 CA VAL A 3 -3.909 -15.191 2.817 1.00 0.00 C ATOM 37 C VAL A 3 -3.897 -14.608 1.403 1.00 0.00 C ATOM 38 O VAL A 3 -4.923 -14.597 0.724 1.00 0.00 O ATOM 39 CB VAL A 3 -3.506 -16.666 2.860 1.00 0.00 C ATOM 40 CG1 VAL A 3 -1.999 -16.829 2.650 1.00 0.00 C ATOM 41 CG2 VAL A 3 -3.951 -17.318 4.170 1.00 0.00 C ATOM 0 H VAL A 3 -5.901 -15.750 3.153 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.164 -14.648 3.398 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.015 -17.176 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.739 -17.887 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.720 -16.419 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.463 -16.297 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.652 -18.366 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.483 -16.804 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.035 -17.249 4.261 1.00 0.00 H new ATOM 51 N PHE A 4 -2.725 -14.139 1.000 1.00 0.00 N ATOM 52 CA PHE A 4 -2.567 -13.556 -0.322 1.00 0.00 C ATOM 53 C PHE A 4 -2.806 -14.601 -1.414 1.00 0.00 C ATOM 54 O PHE A 4 -2.465 -15.770 -1.245 1.00 0.00 O ATOM 55 CB PHE A 4 -1.124 -13.055 -0.419 1.00 0.00 C ATOM 56 CG PHE A 4 -0.568 -13.034 -1.845 1.00 0.00 C ATOM 57 CD1 PHE A 4 -0.950 -12.057 -2.709 1.00 0.00 C ATOM 58 CD2 PHE A 4 0.308 -13.993 -2.247 1.00 0.00 C ATOM 59 CE1 PHE A 4 -0.434 -12.037 -4.032 1.00 0.00 C ATOM 60 CE2 PHE A 4 0.824 -13.974 -3.570 1.00 0.00 C ATOM 61 CZ PHE A 4 0.442 -12.996 -4.434 1.00 0.00 C ATOM 0 H PHE A 4 -1.876 -14.151 1.565 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.288 -12.751 -0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.071 -12.048 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.488 -13.688 0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.646 -11.296 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.611 -14.769 -1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.737 -11.260 -4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.519 -14.736 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 4 0.835 -12.981 -5.440 1.00 0.00 H new ATOM 71 N ASP A 5 -3.392 -14.141 -2.509 1.00 0.00 N ATOM 72 CA ASP A 5 -3.682 -15.021 -3.629 1.00 0.00 C ATOM 73 C ASP A 5 -4.299 -14.206 -4.767 1.00 0.00 C ATOM 74 O ASP A 5 -4.430 -12.987 -4.662 1.00 0.00 O ATOM 75 CB ASP A 5 -4.681 -16.109 -3.230 1.00 0.00 C ATOM 76 CG ASP A 5 -5.610 -15.740 -2.072 1.00 0.00 C ATOM 77 OD1 ASP A 5 -6.082 -14.598 -1.969 1.00 0.00 O ATOM 78 OD2 ASP A 5 -5.848 -16.696 -1.239 1.00 0.00 O ATOM 0 H ASP A 5 -3.674 -13.170 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.748 -15.487 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.290 -16.359 -4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.127 -17.008 -2.960 1.00 0.00 H new ATOM 84 N ASP A 6 -4.662 -14.911 -5.828 1.00 0.00 N ATOM 85 CA ASP A 6 -5.262 -14.268 -6.984 1.00 0.00 C ATOM 86 C ASP A 6 -6.249 -13.198 -6.512 1.00 0.00 C ATOM 87 O ASP A 6 -6.349 -12.131 -7.115 1.00 0.00 O ATOM 88 CB ASP A 6 -6.032 -15.277 -7.839 1.00 0.00 C ATOM 89 CG ASP A 6 -5.298 -15.754 -9.094 1.00 0.00 C ATOM 90 OD1 ASP A 6 -4.176 -15.314 -9.384 1.00 0.00 O ATOM 91 OD2 ASP A 6 -5.935 -16.627 -9.798 1.00 0.00 O ATOM 0 H ASP A 6 -4.552 -15.922 -5.911 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.461 -13.829 -7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.270 -16.145 -7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.979 -14.829 -8.139 1.00 0.00 H new ATOM 97 N ILE A 7 -6.954 -13.522 -5.438 1.00 0.00 N ATOM 98 CA ILE A 7 -7.930 -12.602 -4.878 1.00 0.00 C ATOM 99 C ILE A 7 -7.219 -11.326 -4.424 1.00 0.00 C ATOM 100 O ILE A 7 -7.583 -10.227 -4.840 1.00 0.00 O ATOM 101 CB ILE A 7 -8.736 -13.285 -3.772 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.347 -14.597 -4.268 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.796 -12.339 -3.202 1.00 0.00 C ATOM 104 CD1 ILE A 7 -8.635 -15.802 -3.648 1.00 0.00 C ATOM 0 H ILE A 7 -6.869 -14.408 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.657 -12.309 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.055 -13.535 -2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.407 -14.627 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.276 -14.648 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.355 -12.849 -2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.310 -11.456 -2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.479 -12.037 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.088 -16.722 -4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.580 -15.782 -3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.729 -15.761 -2.563 1.00 0.00 H new ATOM 116 N ALA A 8 -6.219 -11.514 -3.575 1.00 0.00 N ATOM 117 CA ALA A 8 -5.454 -10.391 -3.060 1.00 0.00 C ATOM 118 C ALA A 8 -5.159 -9.414 -4.199 1.00 0.00 C ATOM 119 O ALA A 8 -5.287 -8.202 -4.031 1.00 0.00 O ATOM 120 CB ALA A 8 -4.179 -10.907 -2.389 1.00 0.00 C ATOM 0 H ALA A 8 -5.921 -12.427 -3.231 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.025 -9.852 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.605 -10.065 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.444 -11.573 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.579 -11.451 -3.118 1.00 0.00 H new ATOM 126 N LYS A 9 -4.770 -9.978 -5.333 1.00 0.00 N ATOM 127 CA LYS A 9 -4.456 -9.172 -6.501 1.00 0.00 C ATOM 128 C LYS A 9 -5.549 -8.120 -6.698 1.00 0.00 C ATOM 129 O LYS A 9 -5.278 -6.921 -6.651 1.00 0.00 O ATOM 130 CB LYS A 9 -4.232 -10.063 -7.724 1.00 0.00 C ATOM 131 CG LYS A 9 -2.917 -9.715 -8.423 1.00 0.00 C ATOM 132 CD LYS A 9 -1.716 -10.113 -7.563 1.00 0.00 C ATOM 133 CE LYS A 9 -1.337 -11.577 -7.795 1.00 0.00 C ATOM 134 NZ LYS A 9 -0.817 -11.766 -9.168 1.00 0.00 N ATOM 0 H LYS A 9 -4.665 -10.984 -5.468 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.519 -8.635 -6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.220 -11.109 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.061 -9.944 -8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.866 -10.226 -9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.883 -8.645 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.867 -9.472 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.950 -9.957 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.584 -11.883 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.208 -12.214 -7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.193 -12.597 -9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.612 -11.911 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.281 -10.922 -9.455 1.00 0.00 H new ATOM 147 N ARG A 10 -6.762 -8.607 -6.915 1.00 0.00 N ATOM 148 CA ARG A 10 -7.898 -7.724 -7.119 1.00 0.00 C ATOM 149 C ARG A 10 -8.187 -6.928 -5.845 1.00 0.00 C ATOM 150 O ARG A 10 -8.463 -5.730 -5.906 1.00 0.00 O ATOM 151 CB ARG A 10 -9.147 -8.515 -7.513 1.00 0.00 C ATOM 152 CG ARG A 10 -10.243 -7.585 -8.035 1.00 0.00 C ATOM 153 CD ARG A 10 -10.264 -7.566 -9.565 1.00 0.00 C ATOM 154 NE ARG A 10 -9.455 -6.433 -10.068 1.00 0.00 N ATOM 155 CZ ARG A 10 -9.208 -6.201 -11.375 1.00 0.00 C ATOM 156 NH1 ARG A 10 -9.707 -7.022 -12.323 1.00 0.00 N ATOM 157 NH2 ARG A 10 -8.472 -5.158 -11.712 1.00 0.00 N ATOM 0 H ARG A 10 -6.983 -9.602 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.645 -7.040 -7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.891 -9.247 -8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.517 -9.071 -6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.212 -7.912 -7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.079 -6.576 -7.658 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.871 -8.505 -9.954 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.290 -7.478 -9.922 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.059 -5.787 -9.385 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.276 -7.825 -12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.516 -6.839 -13.308 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.099 -4.542 -10.990 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.276 -4.968 -12.695 1.00 0.00 H new ATOM 170 N LYS A 11 -8.115 -7.625 -4.721 1.00 0.00 N ATOM 171 CA LYS A 11 -8.366 -6.998 -3.434 1.00 0.00 C ATOM 172 C LYS A 11 -7.532 -5.720 -3.323 1.00 0.00 C ATOM 173 O LYS A 11 -8.067 -4.647 -3.049 1.00 0.00 O ATOM 174 CB LYS A 11 -8.123 -7.992 -2.297 1.00 0.00 C ATOM 175 CG LYS A 11 -8.741 -7.491 -0.990 1.00 0.00 C ATOM 176 CD LYS A 11 -10.267 -7.447 -1.086 1.00 0.00 C ATOM 177 CE LYS A 11 -10.903 -7.394 0.304 1.00 0.00 C ATOM 178 NZ LYS A 11 -11.252 -8.756 0.766 1.00 0.00 N ATOM 0 H LYS A 11 -7.886 -8.618 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.412 -6.704 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.550 -8.960 -2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.052 -8.142 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.443 -8.144 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.359 -6.496 -0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.573 -6.575 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.627 -8.326 -1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.213 -6.930 1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.798 -6.772 0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.683 -8.702 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.927 -9.186 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.392 -9.339 0.810 1.00 0.00 H new ATOM 191 N ILE A 12 -6.234 -5.878 -3.541 1.00 0.00 N ATOM 192 CA ILE A 12 -5.321 -4.750 -3.469 1.00 0.00 C ATOM 193 C ILE A 12 -5.983 -3.521 -4.094 1.00 0.00 C ATOM 194 O ILE A 12 -6.027 -2.456 -3.482 1.00 0.00 O ATOM 195 CB ILE A 12 -3.974 -5.111 -4.099 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.816 -4.727 -3.176 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.833 -4.483 -5.487 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.488 -3.238 -3.298 1.00 0.00 C ATOM 0 H ILE A 12 -5.794 -6.770 -3.767 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.105 -4.501 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.936 -6.193 -4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.076 -4.962 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.935 -5.319 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.867 -4.755 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.631 -4.848 -6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.901 -3.398 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.661 -2.992 -2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.205 -3.011 -4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.363 -2.649 -3.024 1.00 0.00 H new ATOM 210 N ARG A 13 -6.484 -3.711 -5.307 1.00 0.00 N ATOM 211 CA ARG A 13 -7.142 -2.631 -6.022 1.00 0.00 C ATOM 212 C ARG A 13 -8.538 -2.387 -5.446 1.00 0.00 C ATOM 213 O ARG A 13 -8.894 -1.252 -5.131 1.00 0.00 O ATOM 214 CB ARG A 13 -7.262 -2.951 -7.513 1.00 0.00 C ATOM 215 CG ARG A 13 -6.417 -1.989 -8.350 1.00 0.00 C ATOM 216 CD ARG A 13 -6.561 -2.290 -9.844 1.00 0.00 C ATOM 217 NE ARG A 13 -6.453 -1.038 -10.625 1.00 0.00 N ATOM 218 CZ ARG A 13 -6.142 -0.989 -11.938 1.00 0.00 C ATOM 219 NH1 ARG A 13 -5.906 -2.125 -12.628 1.00 0.00 N ATOM 220 NH2 ARG A 13 -6.073 0.185 -12.536 1.00 0.00 N ATOM 0 H ARG A 13 -6.447 -4.597 -5.812 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.534 -1.734 -5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.940 -3.976 -7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.306 -2.885 -7.820 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.724 -0.962 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.370 -2.071 -8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.789 -2.992 -10.158 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.522 -2.767 -10.036 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.624 -0.157 -10.141 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.962 -3.028 -12.158 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.672 -2.080 -13.620 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.253 1.038 -12.007 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.839 0.239 -13.527 1.00 0.00 H new ATOM 233 N PHE A 14 -9.292 -3.470 -5.325 1.00 0.00 N ATOM 234 CA PHE A 14 -10.641 -3.387 -4.792 1.00 0.00 C ATOM 235 C PHE A 14 -10.671 -2.567 -3.501 1.00 0.00 C ATOM 236 O PHE A 14 -11.671 -1.916 -3.198 1.00 0.00 O ATOM 237 CB PHE A 14 -11.089 -4.817 -4.484 1.00 0.00 C ATOM 238 CG PHE A 14 -12.575 -5.073 -4.743 1.00 0.00 C ATOM 239 CD1 PHE A 14 -13.504 -4.660 -3.839 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.968 -5.714 -5.876 1.00 0.00 C ATOM 241 CE1 PHE A 14 -14.883 -4.898 -4.079 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.347 -5.952 -6.116 1.00 0.00 C ATOM 243 CZ PHE A 14 -15.275 -5.539 -5.212 1.00 0.00 C ATOM 0 H PHE A 14 -8.994 -4.410 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.297 -2.902 -5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.501 -5.509 -5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.869 -5.039 -3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.193 -4.151 -2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.231 -6.042 -6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.621 -4.570 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.659 -6.461 -7.016 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.324 -5.720 -5.394 1.00 0.00 H new ATOM 253 N GLN A 15 -9.564 -2.624 -2.775 1.00 0.00 N ATOM 254 CA GLN A 15 -9.452 -1.894 -1.524 1.00 0.00 C ATOM 255 C GLN A 15 -9.154 -0.418 -1.795 1.00 0.00 C ATOM 256 O GLN A 15 -9.798 0.463 -1.228 1.00 0.00 O ATOM 257 CB GLN A 15 -8.381 -2.513 -0.623 1.00 0.00 C ATOM 258 CG GLN A 15 -8.996 -3.524 0.345 1.00 0.00 C ATOM 259 CD GLN A 15 -7.947 -4.053 1.326 1.00 0.00 C ATOM 260 OE1 GLN A 15 -6.912 -4.575 0.946 1.00 0.00 O ATOM 261 NE2 GLN A 15 -8.272 -3.889 2.605 1.00 0.00 N ATOM 0 H GLN A 15 -8.737 -3.164 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.405 -1.961 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.625 -3.004 -1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.875 -1.728 -0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.811 -3.055 0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.426 -4.354 -0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.155 -3.444 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.638 -4.209 3.337 1.00 0.00 H new ATOM 270 N THR A 16 -8.178 -0.193 -2.663 1.00 0.00 N ATOM 271 CA THR A 16 -7.787 1.161 -3.016 1.00 0.00 C ATOM 272 C THR A 16 -8.966 1.910 -3.641 1.00 0.00 C ATOM 273 O THR A 16 -10.117 1.504 -3.486 1.00 0.00 O ATOM 274 CB THR A 16 -6.565 1.077 -3.932 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.958 0.161 -4.951 1.00 0.00 O ATOM 276 CG2 THR A 16 -5.373 0.395 -3.258 1.00 0.00 C ATOM 0 H THR A 16 -7.646 -0.926 -3.132 1.00 0.00 H new ATOM 0 HA THR A 16 -7.509 1.736 -2.133 1.00 0.00 H new ATOM 0 HB THR A 16 -6.278 2.080 -4.247 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.926 0.014 -4.903 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.533 0.362 -3.952 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.087 0.957 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.648 -0.620 -2.973 1.00 0.00 H new ATOM 284 N ARG A 17 -8.638 2.990 -4.335 1.00 0.00 N ATOM 285 CA ARG A 17 -9.655 3.799 -4.985 1.00 0.00 C ATOM 286 C ARG A 17 -10.710 4.241 -3.970 1.00 0.00 C ATOM 287 O ARG A 17 -10.731 3.756 -2.840 1.00 0.00 O ATOM 288 CB ARG A 17 -10.337 3.024 -6.115 1.00 0.00 C ATOM 289 CG ARG A 17 -11.748 2.594 -5.710 1.00 0.00 C ATOM 290 CD ARG A 17 -12.286 1.518 -6.655 1.00 0.00 C ATOM 291 NE ARG A 17 -13.068 2.145 -7.744 1.00 0.00 N ATOM 292 CZ ARG A 17 -14.304 2.663 -7.587 1.00 0.00 C ATOM 293 NH1 ARG A 17 -14.911 2.634 -6.381 1.00 0.00 N ATOM 294 NH2 ARG A 17 -14.911 3.200 -8.629 1.00 0.00 N ATOM 0 H ARG A 17 -7.682 3.324 -4.461 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.162 4.675 -5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.385 3.645 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.744 2.145 -6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.737 2.213 -4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.413 3.458 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.459 0.944 -7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.913 0.818 -6.103 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.646 2.188 -8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.435 2.218 -5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.845 3.028 -6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.446 3.219 -9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.846 3.596 -8.527 1.00 0.00 H new ATOM 307 N ARG A 18 -11.561 5.157 -4.409 1.00 0.00 N ATOM 308 CA ARG A 18 -12.616 5.671 -3.552 1.00 0.00 C ATOM 309 C ARG A 18 -12.024 6.549 -2.448 1.00 0.00 C ATOM 310 O ARG A 18 -11.200 6.089 -1.659 1.00 0.00 O ATOM 311 CB ARG A 18 -13.411 4.530 -2.914 1.00 0.00 C ATOM 312 CG ARG A 18 -14.782 5.016 -2.438 1.00 0.00 C ATOM 313 CD ARG A 18 -15.174 4.344 -1.121 1.00 0.00 C ATOM 314 NE ARG A 18 -16.501 4.831 -0.680 1.00 0.00 N ATOM 315 CZ ARG A 18 -17.671 4.442 -1.230 1.00 0.00 C ATOM 316 NH1 ARG A 18 -17.688 3.556 -2.249 1.00 0.00 N ATOM 317 NH2 ARG A 18 -18.797 4.941 -0.757 1.00 0.00 N ATOM 0 H ARG A 18 -11.541 5.557 -5.347 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.287 6.265 -4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.538 3.723 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.854 4.120 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.763 6.098 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.533 4.800 -3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.198 3.262 -1.248 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.426 4.558 -0.357 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.533 5.502 0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.813 3.176 -2.609 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.576 3.267 -2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.775 5.610 0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.690 4.658 -1.161 1.00 0.00 H new ATOM 330 N GLY A 19 -12.466 7.798 -2.429 1.00 0.00 N ATOM 331 CA GLY A 19 -11.990 8.745 -1.435 1.00 0.00 C ATOM 332 C GLY A 19 -11.395 9.987 -2.102 1.00 0.00 C ATOM 333 O GLY A 19 -11.887 11.097 -1.906 1.00 0.00 O ATOM 0 H GLY A 19 -13.149 8.176 -3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.813 9.037 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.237 8.270 -0.806 1.00 0.00 H new ATOM 337 N LEU A 20 -10.344 9.757 -2.876 1.00 0.00 N ATOM 338 CA LEU A 20 -9.677 10.843 -3.572 1.00 0.00 C ATOM 339 C LEU A 20 -9.365 10.409 -5.006 1.00 0.00 C ATOM 340 O LEU A 20 -9.035 9.249 -5.249 1.00 0.00 O ATOM 341 CB LEU A 20 -8.446 11.306 -2.789 1.00 0.00 C ATOM 342 CG LEU A 20 -8.502 12.731 -2.234 1.00 0.00 C ATOM 343 CD1 LEU A 20 -9.611 12.870 -1.190 1.00 0.00 C ATOM 344 CD2 LEU A 20 -7.139 13.158 -1.684 1.00 0.00 C ATOM 0 H LEU A 20 -9.939 8.835 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.331 11.712 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.289 10.619 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.575 11.224 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.746 13.408 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.629 13.892 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.572 12.635 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.423 12.182 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.206 14.174 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.842 12.482 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.397 13.122 -2.482 1.00 0.00 H new ATOM 356 N LEU A 21 -9.481 11.363 -5.918 1.00 0.00 N ATOM 357 CA LEU A 21 -9.216 11.093 -7.321 1.00 0.00 C ATOM 358 C LEU A 21 -7.743 10.719 -7.495 1.00 0.00 C ATOM 359 O LEU A 21 -7.422 9.571 -7.799 1.00 0.00 O ATOM 360 CB LEU A 21 -9.657 12.276 -8.186 1.00 0.00 C ATOM 361 CG LEU A 21 -9.375 12.152 -9.685 1.00 0.00 C ATOM 362 CD1 LEU A 21 -10.121 10.959 -10.286 1.00 0.00 C ATOM 363 CD2 LEU A 21 -9.699 13.457 -10.414 1.00 0.00 C ATOM 0 H LEU A 21 -9.755 12.324 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.803 10.241 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.728 12.422 -8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.163 13.175 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.309 11.966 -9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.903 10.893 -11.352 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.798 10.042 -9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.193 11.090 -10.142 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.490 13.341 -11.477 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.753 13.699 -10.276 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.086 14.262 -10.009 1.00 0.00 H new ATOM 375 N GLU A 22 -6.886 11.709 -7.294 1.00 0.00 N ATOM 376 CA GLU A 22 -5.455 11.498 -7.424 1.00 0.00 C ATOM 377 C GLU A 22 -5.052 10.173 -6.775 1.00 0.00 C ATOM 378 O GLU A 22 -4.259 9.418 -7.335 1.00 0.00 O ATOM 379 CB GLU A 22 -4.671 12.665 -6.820 1.00 0.00 C ATOM 380 CG GLU A 22 -3.528 13.094 -7.742 1.00 0.00 C ATOM 381 CD GLU A 22 -3.941 14.281 -8.614 1.00 0.00 C ATOM 382 OE1 GLU A 22 -4.659 14.100 -9.608 1.00 0.00 O ATOM 383 OE2 GLU A 22 -3.490 15.426 -8.225 1.00 0.00 O ATOM 0 H GLU A 22 -7.156 12.660 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.210 11.449 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.341 13.508 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.270 12.374 -5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.656 13.363 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.234 12.257 -8.376 1.00 0.00 H new ATOM 391 N LEU A 23 -5.617 9.930 -5.601 1.00 0.00 N ATOM 392 CA LEU A 23 -5.327 8.709 -4.869 1.00 0.00 C ATOM 393 C LEU A 23 -5.522 7.506 -5.795 1.00 0.00 C ATOM 394 O LEU A 23 -4.615 6.692 -5.959 1.00 0.00 O ATOM 395 CB LEU A 23 -6.161 8.641 -3.588 1.00 0.00 C ATOM 396 CG LEU A 23 -5.546 7.856 -2.428 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.368 7.005 -2.906 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.152 8.790 -1.282 1.00 0.00 C ATOM 0 H LEU A 23 -6.274 10.558 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.286 8.697 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.354 9.659 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.126 8.197 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.300 7.172 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.949 6.457 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.712 6.299 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.602 7.652 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.717 8.207 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.421 9.516 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.036 9.314 -0.919 1.00 0.00 H new ATOM 410 N ASP A 24 -6.711 7.433 -6.375 1.00 0.00 N ATOM 411 CA ASP A 24 -7.036 6.343 -7.279 1.00 0.00 C ATOM 412 C ASP A 24 -5.905 6.176 -8.297 1.00 0.00 C ATOM 413 O ASP A 24 -5.567 5.056 -8.676 1.00 0.00 O ATOM 414 CB ASP A 24 -8.326 6.633 -8.050 1.00 0.00 C ATOM 415 CG ASP A 24 -8.625 5.666 -9.197 1.00 0.00 C ATOM 416 OD1 ASP A 24 -8.954 4.492 -8.973 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.506 6.170 -10.379 1.00 0.00 O ATOM 0 H ASP A 24 -7.461 8.111 -6.237 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.166 5.439 -6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.162 6.613 -7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.271 7.645 -8.452 1.00 0.00 H new ATOM 423 N LEU A 25 -5.352 7.307 -8.710 1.00 0.00 N ATOM 424 CA LEU A 25 -4.266 7.299 -9.676 1.00 0.00 C ATOM 425 C LEU A 25 -2.974 6.866 -8.981 1.00 0.00 C ATOM 426 O LEU A 25 -2.285 5.963 -9.452 1.00 0.00 O ATOM 427 CB LEU A 25 -4.163 8.656 -10.376 1.00 0.00 C ATOM 428 CG LEU A 25 -5.489 9.354 -10.685 1.00 0.00 C ATOM 429 CD1 LEU A 25 -5.255 10.676 -11.418 1.00 0.00 C ATOM 430 CD2 LEU A 25 -6.428 8.427 -11.461 1.00 0.00 C ATOM 0 H LEU A 25 -5.635 8.234 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.462 6.573 -10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.563 9.319 -9.753 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.620 8.520 -11.311 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.978 9.592 -9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.214 11.152 -11.626 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.650 11.335 -10.795 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.734 10.485 -12.356 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.363 8.947 -11.668 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.958 8.137 -12.401 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.632 7.536 -10.867 1.00 0.00 H new ATOM 442 N ILE A 26 -2.684 7.531 -7.872 1.00 0.00 N ATOM 443 CA ILE A 26 -1.487 7.226 -7.108 1.00 0.00 C ATOM 444 C ILE A 26 -1.258 5.713 -7.109 1.00 0.00 C ATOM 445 O ILE A 26 -0.241 5.236 -7.611 1.00 0.00 O ATOM 446 CB ILE A 26 -1.577 7.833 -5.706 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.622 9.361 -5.773 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.437 7.332 -4.817 1.00 0.00 C ATOM 449 CD1 ILE A 26 -2.238 9.947 -4.500 1.00 0.00 C ATOM 0 H ILE A 26 -3.258 8.280 -7.485 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.612 7.682 -7.572 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.510 7.502 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.614 9.753 -5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.204 9.674 -6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.525 7.779 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.492 6.247 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.519 7.613 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.258 11.034 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.255 9.572 -4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.640 9.652 -3.638 1.00 0.00 H new ATOM 461 N PHE A 27 -2.220 5.001 -6.541 1.00 0.00 N ATOM 462 CA PHE A 27 -2.135 3.552 -6.470 1.00 0.00 C ATOM 463 C PHE A 27 -1.599 2.970 -7.779 1.00 0.00 C ATOM 464 O PHE A 27 -0.613 2.234 -7.778 1.00 0.00 O ATOM 465 CB PHE A 27 -3.556 3.032 -6.239 1.00 0.00 C ATOM 466 CG PHE A 27 -4.140 3.405 -4.875 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.501 3.029 -3.735 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.299 4.113 -4.802 1.00 0.00 C ATOM 469 CE1 PHE A 27 -4.043 3.375 -2.469 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.841 4.459 -3.536 1.00 0.00 C ATOM 471 CZ PHE A 27 -5.202 4.083 -2.397 1.00 0.00 C ATOM 0 H PHE A 27 -3.062 5.400 -6.126 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.458 3.257 -5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.207 3.423 -7.021 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.555 1.947 -6.338 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.581 2.467 -3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.807 4.412 -5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.535 3.076 -1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.761 5.021 -3.478 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.615 4.347 -1.434 1.00 0.00 H new ATOM 481 N GLY A 28 -2.272 3.321 -8.866 1.00 0.00 N ATOM 482 CA GLY A 28 -1.875 2.842 -10.179 1.00 0.00 C ATOM 483 C GLY A 28 -0.354 2.885 -10.342 1.00 0.00 C ATOM 484 O GLY A 28 0.252 1.920 -10.805 1.00 0.00 O ATOM 0 H GLY A 28 -3.089 3.931 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.231 1.821 -10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.344 3.453 -10.950 1.00 0.00 H new ATOM 488 N ARG A 29 0.219 4.014 -9.952 1.00 0.00 N ATOM 489 CA ARG A 29 1.657 4.196 -10.049 1.00 0.00 C ATOM 490 C ARG A 29 2.350 3.616 -8.814 1.00 0.00 C ATOM 491 O ARG A 29 3.147 2.686 -8.925 1.00 0.00 O ATOM 492 CB ARG A 29 2.018 5.677 -10.180 1.00 0.00 C ATOM 493 CG ARG A 29 2.118 6.090 -11.650 1.00 0.00 C ATOM 494 CD ARG A 29 3.367 5.494 -12.302 1.00 0.00 C ATOM 495 NE ARG A 29 4.066 6.529 -13.097 1.00 0.00 N ATOM 496 CZ ARG A 29 5.218 6.318 -13.768 1.00 0.00 C ATOM 497 NH1 ARG A 29 5.812 5.106 -13.745 1.00 0.00 N ATOM 498 NH2 ARG A 29 5.755 7.315 -14.446 1.00 0.00 N ATOM 0 H ARG A 29 -0.287 4.812 -9.568 1.00 0.00 H new ATOM 0 HA ARG A 29 1.998 3.671 -10.941 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.264 6.284 -9.679 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.967 5.869 -9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.229 5.757 -12.186 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.147 7.177 -11.725 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.034 5.100 -11.536 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.089 4.658 -12.943 1.00 0.00 H new ATOM 0 HE ARG A 29 3.651 7.460 -13.140 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.390 4.341 -13.218 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.682 4.955 -14.255 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.300 8.228 -14.457 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.625 7.173 -14.959 1.00 0.00 H new ATOM 511 N PHE A 30 2.021 4.191 -7.667 1.00 0.00 N ATOM 512 CA PHE A 30 2.601 3.743 -6.412 1.00 0.00 C ATOM 513 C PHE A 30 2.660 2.215 -6.350 1.00 0.00 C ATOM 514 O PHE A 30 3.680 1.645 -5.965 1.00 0.00 O ATOM 515 CB PHE A 30 1.693 4.253 -5.292 1.00 0.00 C ATOM 516 CG PHE A 30 1.552 3.284 -4.116 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.644 2.625 -3.643 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.335 3.082 -3.543 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.514 1.727 -2.551 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.205 2.183 -2.451 1.00 0.00 C ATOM 521 CZ PHE A 30 1.297 1.524 -1.979 1.00 0.00 C ATOM 0 H PHE A 30 1.360 4.963 -7.580 1.00 0.00 H new ATOM 0 HA PHE A 30 3.618 4.123 -6.315 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.085 5.201 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.704 4.455 -5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.610 2.785 -4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.532 3.605 -3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.381 1.205 -2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.761 2.023 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.198 0.839 -1.150 1.00 0.00 H new ATOM 531 N MET A 31 1.553 1.596 -6.734 1.00 0.00 N ATOM 532 CA MET A 31 1.466 0.146 -6.727 1.00 0.00 C ATOM 533 C MET A 31 2.434 -0.467 -7.741 1.00 0.00 C ATOM 534 O MET A 31 3.025 -1.515 -7.486 1.00 0.00 O ATOM 535 CB MET A 31 0.036 -0.282 -7.062 1.00 0.00 C ATOM 536 CG MET A 31 -0.225 -0.191 -8.567 1.00 0.00 C ATOM 537 SD MET A 31 0.308 -1.693 -9.371 1.00 0.00 S ATOM 538 CE MET A 31 -0.972 -1.855 -10.605 1.00 0.00 C ATOM 0 H MET A 31 0.709 2.072 -7.052 1.00 0.00 H new ATOM 0 HA MET A 31 1.737 -0.210 -5.733 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.131 -1.304 -6.721 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.672 0.352 -6.528 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.287 -0.027 -8.751 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.306 0.664 -8.986 1.00 0.00 H new ATOM 0 HE1 MET A 31 -0.791 -2.749 -11.201 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.942 -1.935 -10.115 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.965 -0.979 -11.254 1.00 0.00 H new ATOM 548 N GLU A 32 2.565 0.213 -8.871 1.00 0.00 N ATOM 549 CA GLU A 32 3.451 -0.252 -9.925 1.00 0.00 C ATOM 550 C GLU A 32 4.906 -0.203 -9.455 1.00 0.00 C ATOM 551 O GLU A 32 5.742 -0.968 -9.934 1.00 0.00 O ATOM 552 CB GLU A 32 3.259 0.568 -11.202 1.00 0.00 C ATOM 553 CG GLU A 32 3.130 -0.343 -12.425 1.00 0.00 C ATOM 554 CD GLU A 32 3.510 0.401 -13.706 1.00 0.00 C ATOM 555 OE1 GLU A 32 4.382 1.282 -13.676 1.00 0.00 O ATOM 556 OE2 GLU A 32 2.864 0.034 -14.761 1.00 0.00 O ATOM 0 H GLU A 32 2.073 1.082 -9.080 1.00 0.00 H new ATOM 0 HA GLU A 32 3.199 -1.287 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.367 1.187 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.104 1.244 -11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.772 -1.215 -12.303 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.107 -0.710 -12.503 1.00 0.00 H new ATOM 564 N LYS A 33 5.164 0.703 -8.524 1.00 0.00 N ATOM 565 CA LYS A 33 6.504 0.861 -7.985 1.00 0.00 C ATOM 566 C LYS A 33 6.599 0.128 -6.645 1.00 0.00 C ATOM 567 O LYS A 33 7.666 0.078 -6.035 1.00 0.00 O ATOM 568 CB LYS A 33 6.877 2.343 -7.903 1.00 0.00 C ATOM 569 CG LYS A 33 7.952 2.695 -8.933 1.00 0.00 C ATOM 570 CD LYS A 33 8.328 4.176 -8.849 1.00 0.00 C ATOM 571 CE LYS A 33 9.075 4.624 -10.106 1.00 0.00 C ATOM 572 NZ LYS A 33 8.649 5.985 -10.505 1.00 0.00 N ATOM 0 H LYS A 33 4.468 1.335 -8.129 1.00 0.00 H new ATOM 0 HA LYS A 33 7.239 0.407 -8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.991 2.955 -8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.238 2.576 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.837 2.081 -8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.590 2.464 -9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.427 4.777 -8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.951 4.348 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.149 4.612 -9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.884 3.924 -10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.166 6.274 -11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.628 5.986 -10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.854 6.653 -9.735 1.00 0.00 H new ATOM 585 N GLU A 34 5.469 -0.423 -6.226 1.00 0.00 N ATOM 586 CA GLU A 34 5.412 -1.151 -4.970 1.00 0.00 C ATOM 587 C GLU A 34 4.829 -2.548 -5.193 1.00 0.00 C ATOM 588 O GLU A 34 5.563 -3.534 -5.223 1.00 0.00 O ATOM 589 CB GLU A 34 4.604 -0.379 -3.925 1.00 0.00 C ATOM 590 CG GLU A 34 5.482 0.640 -3.196 1.00 0.00 C ATOM 591 CD GLU A 34 5.707 0.227 -1.740 1.00 0.00 C ATOM 592 OE1 GLU A 34 4.752 -0.159 -1.050 1.00 0.00 O ATOM 593 OE2 GLU A 34 6.927 0.317 -1.331 1.00 0.00 O ATOM 0 H GLU A 34 4.586 -0.380 -6.734 1.00 0.00 H new ATOM 0 HA GLU A 34 6.427 -1.259 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.772 0.133 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.175 -1.075 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.442 0.729 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.011 1.622 -3.231 1.00 0.00 H new ATOM 601 N PHE A 35 3.513 -2.587 -5.343 1.00 0.00 N ATOM 602 CA PHE A 35 2.822 -3.847 -5.561 1.00 0.00 C ATOM 603 C PHE A 35 3.510 -4.667 -6.655 1.00 0.00 C ATOM 604 O PHE A 35 3.506 -5.896 -6.609 1.00 0.00 O ATOM 605 CB PHE A 35 1.401 -3.505 -6.014 1.00 0.00 C ATOM 606 CG PHE A 35 0.671 -4.663 -6.698 1.00 0.00 C ATOM 607 CD1 PHE A 35 0.796 -4.849 -8.039 1.00 0.00 C ATOM 608 CD2 PHE A 35 -0.104 -5.506 -5.964 1.00 0.00 C ATOM 609 CE1 PHE A 35 0.119 -5.923 -8.674 1.00 0.00 C ATOM 610 CE2 PHE A 35 -0.782 -6.581 -6.599 1.00 0.00 C ATOM 611 CZ PHE A 35 -0.656 -6.766 -7.940 1.00 0.00 C ATOM 0 H PHE A 35 2.907 -1.767 -5.318 1.00 0.00 H new ATOM 0 HA PHE A 35 2.826 -4.437 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.822 -3.184 -5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.443 -2.659 -6.700 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.411 -4.179 -8.622 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.204 -5.358 -4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.219 -6.071 -9.739 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.397 -7.251 -6.017 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.172 -7.583 -8.423 1.00 0.00 H new ATOM 621 N GLU A 36 4.085 -3.953 -7.612 1.00 0.00 N ATOM 622 CA GLU A 36 4.775 -4.599 -8.715 1.00 0.00 C ATOM 623 C GLU A 36 6.017 -5.334 -8.206 1.00 0.00 C ATOM 624 O GLU A 36 6.648 -6.083 -8.951 1.00 0.00 O ATOM 625 CB GLU A 36 5.144 -3.585 -9.800 1.00 0.00 C ATOM 626 CG GLU A 36 5.088 -4.224 -11.189 1.00 0.00 C ATOM 627 CD GLU A 36 6.460 -4.760 -11.602 1.00 0.00 C ATOM 628 OE1 GLU A 36 7.337 -3.979 -12.000 1.00 0.00 O ATOM 629 OE2 GLU A 36 6.600 -6.039 -11.496 1.00 0.00 O ATOM 0 H GLU A 36 4.087 -2.934 -7.646 1.00 0.00 H new ATOM 0 HA GLU A 36 4.101 -5.330 -9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.460 -2.737 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.145 -3.197 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.361 -5.036 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.746 -3.489 -11.918 1.00 0.00 H new ATOM 637 N HIS A 37 6.331 -5.094 -6.942 1.00 0.00 N ATOM 638 CA HIS A 37 7.486 -5.724 -6.325 1.00 0.00 C ATOM 639 C HIS A 37 7.061 -6.420 -5.031 1.00 0.00 C ATOM 640 O HIS A 37 7.502 -7.532 -4.746 1.00 0.00 O ATOM 641 CB HIS A 37 8.609 -4.707 -6.110 1.00 0.00 C ATOM 642 CG HIS A 37 9.974 -5.201 -6.528 1.00 0.00 C ATOM 643 ND1 HIS A 37 10.612 -6.258 -5.902 1.00 0.00 N ATOM 644 CD2 HIS A 37 10.813 -4.774 -7.514 1.00 0.00 C ATOM 645 CE1 HIS A 37 11.782 -6.448 -6.493 1.00 0.00 C ATOM 646 NE2 HIS A 37 11.906 -5.527 -7.491 1.00 0.00 N ATOM 0 H HIS A 37 5.806 -4.472 -6.328 1.00 0.00 H new ATOM 0 HA HIS A 37 7.888 -6.487 -6.992 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.376 -3.800 -6.668 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.640 -4.433 -5.055 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.621 -3.961 -8.198 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.511 -7.201 -6.230 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.706 -5.432 -8.116 1.00 0.00 H new ATOM 654 N LEU A 38 6.210 -5.736 -4.281 1.00 0.00 N ATOM 655 CA LEU A 38 5.720 -6.275 -3.023 1.00 0.00 C ATOM 656 C LEU A 38 5.356 -7.749 -3.212 1.00 0.00 C ATOM 657 O LEU A 38 4.423 -8.072 -3.946 1.00 0.00 O ATOM 658 CB LEU A 38 4.569 -5.421 -2.486 1.00 0.00 C ATOM 659 CG LEU A 38 4.898 -3.954 -2.203 1.00 0.00 C ATOM 660 CD1 LEU A 38 3.622 -3.120 -2.079 1.00 0.00 C ATOM 661 CD2 LEU A 38 5.792 -3.820 -0.969 1.00 0.00 C ATOM 0 H LEU A 38 5.847 -4.813 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 38 6.499 -6.234 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.750 -5.457 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.205 -5.875 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 38 5.459 -3.561 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.884 -2.081 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.058 -3.178 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.013 -3.505 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.010 -2.767 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.280 -4.236 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.724 -4.361 -1.134 1.00 0.00 H new ATOM 673 N SER A 39 6.111 -8.603 -2.537 1.00 0.00 N ATOM 674 CA SER A 39 5.880 -10.035 -2.622 1.00 0.00 C ATOM 675 C SER A 39 4.650 -10.416 -1.795 1.00 0.00 C ATOM 676 O SER A 39 4.077 -9.574 -1.104 1.00 0.00 O ATOM 677 CB SER A 39 7.104 -10.820 -2.145 1.00 0.00 C ATOM 678 OG SER A 39 8.316 -10.290 -2.674 1.00 0.00 O ATOM 0 H SER A 39 6.883 -8.331 -1.929 1.00 0.00 H new ATOM 0 HA SER A 39 5.702 -10.291 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.145 -10.802 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.004 -11.864 -2.443 1.00 0.00 H new ATOM 0 HG SER A 39 9.074 -10.817 -2.345 1.00 0.00 H new ATOM 684 N ASP A 40 4.281 -11.684 -1.892 1.00 0.00 N ATOM 685 CA ASP A 40 3.130 -12.187 -1.162 1.00 0.00 C ATOM 686 C ASP A 40 3.169 -11.655 0.272 1.00 0.00 C ATOM 687 O ASP A 40 2.272 -10.925 0.692 1.00 0.00 O ATOM 688 CB ASP A 40 3.141 -13.716 -1.100 1.00 0.00 C ATOM 689 CG ASP A 40 2.443 -14.318 0.121 1.00 0.00 C ATOM 690 OD1 ASP A 40 1.623 -13.659 0.778 1.00 0.00 O ATOM 691 OD2 ASP A 40 2.775 -15.535 0.394 1.00 0.00 O ATOM 0 H ASP A 40 4.759 -12.379 -2.466 1.00 0.00 H new ATOM 0 HA ASP A 40 2.231 -11.854 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.665 -14.105 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.176 -14.058 -1.114 1.00 0.00 H new ATOM 697 N LYS A 41 4.217 -12.041 0.984 1.00 0.00 N ATOM 698 CA LYS A 41 4.385 -11.612 2.362 1.00 0.00 C ATOM 699 C LYS A 41 4.126 -10.107 2.458 1.00 0.00 C ATOM 700 O LYS A 41 3.255 -9.670 3.209 1.00 0.00 O ATOM 701 CB LYS A 41 5.757 -12.034 2.891 1.00 0.00 C ATOM 702 CG LYS A 41 5.978 -11.520 4.315 1.00 0.00 C ATOM 703 CD LYS A 41 7.090 -12.303 5.015 1.00 0.00 C ATOM 704 CE LYS A 41 7.014 -12.127 6.533 1.00 0.00 C ATOM 705 NZ LYS A 41 8.072 -11.205 7.002 1.00 0.00 N ATOM 0 H LYS A 41 4.959 -12.646 0.632 1.00 0.00 H new ATOM 0 HA LYS A 41 3.655 -12.104 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.838 -13.121 2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.538 -11.648 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.236 -10.461 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.053 -11.608 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.008 -13.360 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.061 -11.964 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.035 -11.738 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.123 -13.094 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.006 -11.097 8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.005 -11.592 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.950 -10.277 6.548 1.00 0.00 H new ATOM 718 N GLU A 42 4.897 -9.355 1.686 1.00 0.00 N ATOM 719 CA GLU A 42 4.762 -7.908 1.675 1.00 0.00 C ATOM 720 C GLU A 42 3.310 -7.513 1.398 1.00 0.00 C ATOM 721 O GLU A 42 2.734 -6.704 2.124 1.00 0.00 O ATOM 722 CB GLU A 42 5.707 -7.277 0.651 1.00 0.00 C ATOM 723 CG GLU A 42 7.130 -7.181 1.204 1.00 0.00 C ATOM 724 CD GLU A 42 8.161 -7.538 0.131 1.00 0.00 C ATOM 725 OE1 GLU A 42 8.107 -6.999 -0.984 1.00 0.00 O ATOM 726 OE2 GLU A 42 9.042 -8.409 0.490 1.00 0.00 O ATOM 0 H GLU A 42 5.618 -9.721 1.063 1.00 0.00 H new ATOM 0 HA GLU A 42 5.040 -7.529 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.708 -7.871 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.349 -6.283 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.315 -6.171 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.239 -7.852 2.056 1.00 0.00 H new ATOM 734 N LEU A 43 2.760 -8.103 0.347 1.00 0.00 N ATOM 735 CA LEU A 43 1.386 -7.823 -0.035 1.00 0.00 C ATOM 736 C LEU A 43 0.502 -7.833 1.213 1.00 0.00 C ATOM 737 O LEU A 43 -0.505 -7.129 1.271 1.00 0.00 O ATOM 738 CB LEU A 43 0.924 -8.793 -1.124 1.00 0.00 C ATOM 739 CG LEU A 43 1.612 -8.653 -2.484 1.00 0.00 C ATOM 740 CD1 LEU A 43 1.554 -9.967 -3.266 1.00 0.00 C ATOM 741 CD2 LEU A 43 1.023 -7.486 -3.278 1.00 0.00 C ATOM 0 H LEU A 43 3.241 -8.774 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 43 1.308 -6.828 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.077 -9.811 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.149 -8.663 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 43 2.665 -8.427 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.050 -9.840 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.057 -10.750 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.513 -10.248 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.529 -7.408 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.041 -7.657 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.161 -6.560 -2.720 1.00 0.00 H new ATOM 753 N SER A 44 0.911 -8.640 2.182 1.00 0.00 N ATOM 754 CA SER A 44 0.168 -8.751 3.426 1.00 0.00 C ATOM 755 C SER A 44 0.107 -7.391 4.123 1.00 0.00 C ATOM 756 O SER A 44 -0.947 -6.986 4.611 1.00 0.00 O ATOM 757 CB SER A 44 0.798 -9.794 4.352 1.00 0.00 C ATOM 758 OG SER A 44 -0.111 -10.232 5.358 1.00 0.00 O ATOM 0 H SER A 44 1.747 -9.223 2.131 1.00 0.00 H new ATOM 0 HA SER A 44 -0.845 -9.077 3.191 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.127 -10.650 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.685 -9.371 4.824 1.00 0.00 H new ATOM 0 HG SER A 44 0.328 -10.898 5.928 1.00 0.00 H new ATOM 764 N GLU A 45 1.251 -6.722 4.146 1.00 0.00 N ATOM 765 CA GLU A 45 1.341 -5.415 4.775 1.00 0.00 C ATOM 766 C GLU A 45 0.447 -4.411 4.043 1.00 0.00 C ATOM 767 O GLU A 45 -0.462 -3.835 4.639 1.00 0.00 O ATOM 768 CB GLU A 45 2.790 -4.927 4.821 1.00 0.00 C ATOM 769 CG GLU A 45 3.749 -6.084 5.108 1.00 0.00 C ATOM 770 CD GLU A 45 3.165 -7.033 6.158 1.00 0.00 C ATOM 771 OE1 GLU A 45 2.446 -6.587 7.064 1.00 0.00 O ATOM 772 OE2 GLU A 45 3.482 -8.274 6.007 1.00 0.00 O ATOM 0 H GLU A 45 2.123 -7.061 3.739 1.00 0.00 H new ATOM 0 HA GLU A 45 0.989 -5.503 5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.051 -4.461 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.896 -4.163 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.948 -6.633 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.704 -5.691 5.458 1.00 0.00 H new ATOM 780 N PHE A 46 0.737 -4.233 2.763 1.00 0.00 N ATOM 781 CA PHE A 46 -0.029 -3.309 1.944 1.00 0.00 C ATOM 782 C PHE A 46 -1.523 -3.409 2.256 1.00 0.00 C ATOM 783 O PHE A 46 -2.186 -2.394 2.466 1.00 0.00 O ATOM 784 CB PHE A 46 0.203 -3.708 0.485 1.00 0.00 C ATOM 785 CG PHE A 46 -0.106 -2.596 -0.520 1.00 0.00 C ATOM 786 CD1 PHE A 46 -0.659 -1.429 -0.095 1.00 0.00 C ATOM 787 CD2 PHE A 46 0.172 -2.775 -1.839 1.00 0.00 C ATOM 788 CE1 PHE A 46 -0.946 -0.397 -1.027 1.00 0.00 C ATOM 789 CE2 PHE A 46 -0.114 -1.744 -2.772 1.00 0.00 C ATOM 790 CZ PHE A 46 -0.667 -0.577 -2.347 1.00 0.00 C ATOM 0 H PHE A 46 1.492 -4.713 2.273 1.00 0.00 H new ATOM 0 HA PHE A 46 0.288 -2.285 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.242 -4.015 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.415 -4.575 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.880 -1.287 0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.611 -3.702 -2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.385 0.530 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.108 -1.887 -3.819 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.885 0.207 -3.057 1.00 0.00 H new ATOM 800 N SER A 47 -2.010 -4.641 2.277 1.00 0.00 N ATOM 801 CA SER A 47 -3.414 -4.886 2.560 1.00 0.00 C ATOM 802 C SER A 47 -3.840 -4.107 3.806 1.00 0.00 C ATOM 803 O SER A 47 -4.940 -3.559 3.854 1.00 0.00 O ATOM 804 CB SER A 47 -3.685 -6.380 2.750 1.00 0.00 C ATOM 805 OG SER A 47 -2.514 -7.165 2.546 1.00 0.00 O ATOM 0 H SER A 47 -1.457 -5.480 2.103 1.00 0.00 H new ATOM 0 HA SER A 47 -4.000 -4.544 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.067 -6.554 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.461 -6.699 2.054 1.00 0.00 H new ATOM 0 HG SER A 47 -2.207 -7.061 1.621 1.00 0.00 H new ATOM 811 N GLU A 48 -2.947 -4.083 4.784 1.00 0.00 N ATOM 812 CA GLU A 48 -3.217 -3.380 6.027 1.00 0.00 C ATOM 813 C GLU A 48 -3.373 -1.881 5.766 1.00 0.00 C ATOM 814 O GLU A 48 -4.467 -1.334 5.902 1.00 0.00 O ATOM 815 CB GLU A 48 -2.116 -3.645 7.057 1.00 0.00 C ATOM 816 CG GLU A 48 -2.715 -4.008 8.417 1.00 0.00 C ATOM 817 CD GLU A 48 -3.425 -5.363 8.360 1.00 0.00 C ATOM 818 OE1 GLU A 48 -2.952 -6.282 7.677 1.00 0.00 O ATOM 819 OE2 GLU A 48 -4.506 -5.441 9.059 1.00 0.00 O ATOM 0 H GLU A 48 -2.036 -4.539 4.741 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.153 -3.757 6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.475 -4.455 6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.486 -2.761 7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.927 -4.038 9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.421 -3.236 8.725 1.00 0.00 H new ATOM 827 N ILE A 49 -2.264 -1.258 5.396 1.00 0.00 N ATOM 828 CA ILE A 49 -2.265 0.168 5.115 1.00 0.00 C ATOM 829 C ILE A 49 -3.471 0.510 4.237 1.00 0.00 C ATOM 830 O ILE A 49 -4.149 1.509 4.470 1.00 0.00 O ATOM 831 CB ILE A 49 -0.925 0.596 4.512 1.00 0.00 C ATOM 832 CG1 ILE A 49 -0.204 1.587 5.428 1.00 0.00 C ATOM 833 CG2 ILE A 49 -1.112 1.151 3.099 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.280 1.686 5.068 1.00 0.00 C ATOM 0 H ILE A 49 -1.359 -1.714 5.284 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.370 0.738 6.038 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.290 -0.286 4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.669 2.569 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.310 1.272 6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.145 1.448 2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.552 0.384 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.772 2.018 3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.769 2.397 5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.747 0.707 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.382 2.025 4.037 1.00 0.00 H new ATOM 846 N LEU A 50 -3.701 -0.340 3.247 1.00 0.00 N ATOM 847 CA LEU A 50 -4.813 -0.140 2.333 1.00 0.00 C ATOM 848 C LEU A 50 -6.098 0.068 3.138 1.00 0.00 C ATOM 849 O LEU A 50 -6.961 0.851 2.745 1.00 0.00 O ATOM 850 CB LEU A 50 -4.896 -1.292 1.330 1.00 0.00 C ATOM 851 CG LEU A 50 -3.842 -1.292 0.220 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.968 -2.540 -0.655 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.914 -0.005 -0.604 1.00 0.00 C ATOM 0 H LEU A 50 -3.137 -1.168 3.058 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.660 0.760 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.818 -2.231 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.883 -1.274 0.867 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.856 -1.322 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.208 -2.515 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.829 -3.430 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.957 -2.565 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.155 -0.030 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.901 0.081 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.738 0.853 0.045 1.00 0.00 H new ATOM 865 N GLU A 51 -6.183 -0.648 4.250 1.00 0.00 N ATOM 866 CA GLU A 51 -7.348 -0.552 5.114 1.00 0.00 C ATOM 867 C GLU A 51 -7.850 0.893 5.170 1.00 0.00 C ATOM 868 O GLU A 51 -9.052 1.132 5.266 1.00 0.00 O ATOM 869 CB GLU A 51 -7.035 -1.078 6.516 1.00 0.00 C ATOM 870 CG GLU A 51 -6.710 -2.573 6.481 1.00 0.00 C ATOM 871 CD GLU A 51 -7.809 -3.389 7.164 1.00 0.00 C ATOM 872 OE1 GLU A 51 -7.604 -3.897 8.276 1.00 0.00 O ATOM 873 OE2 GLU A 51 -8.910 -3.487 6.498 1.00 0.00 O ATOM 0 H GLU A 51 -5.465 -1.297 4.572 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.139 -1.175 4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.192 -0.529 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.887 -0.903 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.598 -2.900 5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.756 -2.753 6.977 1.00 0.00 H new ATOM 881 N PHE A 52 -6.903 1.817 5.106 1.00 0.00 N ATOM 882 CA PHE A 52 -7.234 3.232 5.149 1.00 0.00 C ATOM 883 C PHE A 52 -7.739 3.717 3.788 1.00 0.00 C ATOM 884 O PHE A 52 -7.323 3.206 2.749 1.00 0.00 O ATOM 885 CB PHE A 52 -5.947 3.982 5.499 1.00 0.00 C ATOM 886 CG PHE A 52 -5.807 4.316 6.986 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.640 5.225 7.559 1.00 0.00 C ATOM 888 CD2 PHE A 52 -4.850 3.705 7.733 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.510 5.536 8.939 1.00 0.00 C ATOM 890 CE2 PHE A 52 -4.720 4.015 9.112 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.553 4.924 9.686 1.00 0.00 C ATOM 0 H PHE A 52 -5.907 1.614 5.025 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.020 3.409 5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.092 3.380 5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.910 4.907 4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.400 5.710 6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.188 2.983 7.277 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.171 6.258 9.395 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.960 3.529 9.705 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.454 5.160 10.735 1.00 0.00 H new ATOM 901 N GLN A 53 -8.628 4.698 3.839 1.00 0.00 N ATOM 902 CA GLN A 53 -9.194 5.259 2.624 1.00 0.00 C ATOM 903 C GLN A 53 -8.196 6.212 1.963 1.00 0.00 C ATOM 904 O GLN A 53 -7.133 6.487 2.520 1.00 0.00 O ATOM 905 CB GLN A 53 -10.519 5.966 2.912 1.00 0.00 C ATOM 906 CG GLN A 53 -11.364 5.166 3.905 1.00 0.00 C ATOM 907 CD GLN A 53 -11.631 5.976 5.175 1.00 0.00 C ATOM 908 OE1 GLN A 53 -11.406 5.528 6.287 1.00 0.00 O ATOM 909 NE2 GLN A 53 -12.124 7.191 4.948 1.00 0.00 N ATOM 0 H GLN A 53 -8.970 5.119 4.703 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.399 4.442 1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.325 6.961 3.313 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.073 6.100 1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.310 4.888 3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.850 4.240 4.162 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.289 7.504 3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.337 7.809 5.731 1.00 0.00 H new ATOM 918 N ASP A 54 -8.572 6.690 0.786 1.00 0.00 N ATOM 919 CA ASP A 54 -7.723 7.606 0.045 1.00 0.00 C ATOM 920 C ASP A 54 -7.472 8.858 0.888 1.00 0.00 C ATOM 921 O ASP A 54 -6.327 9.176 1.206 1.00 0.00 O ATOM 922 CB ASP A 54 -8.392 8.042 -1.261 1.00 0.00 C ATOM 923 CG ASP A 54 -8.771 6.900 -2.206 1.00 0.00 C ATOM 924 OD1 ASP A 54 -8.650 5.716 -1.858 1.00 0.00 O ATOM 925 OD2 ASP A 54 -9.214 7.272 -3.359 1.00 0.00 O ATOM 0 H ASP A 54 -9.454 6.460 0.327 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.789 7.092 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.292 8.607 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.720 8.721 -1.787 1.00 0.00 H new ATOM 931 N GLN A 55 -8.560 9.533 1.226 1.00 0.00 N ATOM 932 CA GLN A 55 -8.472 10.743 2.026 1.00 0.00 C ATOM 933 C GLN A 55 -7.491 10.543 3.183 1.00 0.00 C ATOM 934 O GLN A 55 -6.530 11.298 3.324 1.00 0.00 O ATOM 935 CB GLN A 55 -9.850 11.161 2.542 1.00 0.00 C ATOM 936 CG GLN A 55 -9.971 12.684 2.612 1.00 0.00 C ATOM 937 CD GLN A 55 -10.477 13.132 3.985 1.00 0.00 C ATOM 938 OE1 GLN A 55 -10.549 12.363 4.929 1.00 0.00 O ATOM 939 NE2 GLN A 55 -10.823 14.415 4.041 1.00 0.00 N ATOM 0 H GLN A 55 -9.508 9.265 0.961 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.099 11.548 1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.624 10.761 1.887 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.017 10.734 3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.001 13.139 2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.653 13.034 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.737 15.003 3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.174 14.811 4.913 1.00 0.00 H new ATOM 948 N GLU A 56 -7.767 9.523 3.982 1.00 0.00 N ATOM 949 CA GLU A 56 -6.920 9.214 5.122 1.00 0.00 C ATOM 950 C GLU A 56 -5.512 8.842 4.653 1.00 0.00 C ATOM 951 O GLU A 56 -4.525 9.383 5.149 1.00 0.00 O ATOM 952 CB GLU A 56 -7.529 8.096 5.970 1.00 0.00 C ATOM 953 CG GLU A 56 -8.850 8.543 6.600 1.00 0.00 C ATOM 954 CD GLU A 56 -9.037 7.918 7.984 1.00 0.00 C ATOM 955 OE1 GLU A 56 -9.175 6.690 8.096 1.00 0.00 O ATOM 956 OE2 GLU A 56 -9.036 8.755 8.965 1.00 0.00 O ATOM 0 H GLU A 56 -8.565 8.900 3.863 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.849 10.103 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.697 7.215 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.828 7.806 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.868 9.630 6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.680 8.258 5.953 1.00 0.00 H new ATOM 964 N LEU A 57 -5.465 7.920 3.702 1.00 0.00 N ATOM 965 CA LEU A 57 -4.194 7.469 3.160 1.00 0.00 C ATOM 966 C LEU A 57 -3.333 8.685 2.811 1.00 0.00 C ATOM 967 O LEU A 57 -2.247 8.859 3.362 1.00 0.00 O ATOM 968 CB LEU A 57 -4.421 6.518 1.983 1.00 0.00 C ATOM 969 CG LEU A 57 -3.162 5.918 1.353 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.393 5.069 2.367 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.505 5.130 0.088 1.00 0.00 C ATOM 0 H LEU A 57 -6.286 7.473 3.293 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.645 6.892 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.060 5.701 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.970 7.054 1.209 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.506 6.736 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.503 4.654 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.098 5.690 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.029 4.256 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.593 4.714 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.190 4.320 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.977 5.793 -0.637 1.00 0.00 H new ATOM 983 N LEU A 58 -3.850 9.494 1.899 1.00 0.00 N ATOM 984 CA LEU A 58 -3.142 10.688 1.471 1.00 0.00 C ATOM 985 C LEU A 58 -2.714 11.491 2.700 1.00 0.00 C ATOM 986 O LEU A 58 -1.527 11.751 2.894 1.00 0.00 O ATOM 987 CB LEU A 58 -3.991 11.488 0.480 1.00 0.00 C ATOM 988 CG LEU A 58 -3.229 12.163 -0.663 1.00 0.00 C ATOM 989 CD1 LEU A 58 -2.491 11.129 -1.516 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.163 13.037 -1.503 1.00 0.00 C ATOM 0 H LEU A 58 -4.751 9.346 1.444 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.233 10.419 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.737 10.820 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.532 12.256 1.033 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.475 12.820 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.958 11.635 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.779 10.586 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.210 10.428 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.597 13.505 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.955 12.420 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.603 13.809 -0.872 1.00 0.00 H new ATOM 1002 N ALA A 59 -3.703 11.862 3.500 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.444 12.630 4.705 1.00 0.00 C ATOM 1004 C ALA A 59 -2.320 11.960 5.500 1.00 0.00 C ATOM 1005 O ALA A 59 -1.379 12.624 5.932 1.00 0.00 O ATOM 1006 CB ALA A 59 -4.734 12.759 5.517 1.00 0.00 C ATOM 0 H ALA A 59 -4.686 11.644 3.337 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.115 13.638 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.539 13.336 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.491 13.267 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.093 11.767 5.790 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.456 10.653 5.668 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.464 9.886 6.402 1.00 0.00 C ATOM 1014 C LEU A 60 -0.064 10.302 5.947 1.00 0.00 C ATOM 1015 O LEU A 60 0.730 10.797 6.745 1.00 0.00 O ATOM 1016 CB LEU A 60 -1.736 8.387 6.263 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.323 7.694 7.495 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -2.676 6.238 7.189 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.379 7.815 8.693 1.00 0.00 C ATOM 0 H LEU A 60 -3.238 10.106 5.308 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.529 10.101 7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.419 8.238 5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.801 7.891 6.003 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.250 8.200 7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.091 5.769 8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.411 6.203 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.778 5.703 6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.819 7.314 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.424 7.349 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.221 8.868 8.926 1.00 0.00 H new ATOM 1031 N ILE A 61 0.195 10.086 4.666 1.00 0.00 N ATOM 1032 CA ILE A 61 1.486 10.433 4.095 1.00 0.00 C ATOM 1033 C ILE A 61 1.844 11.867 4.488 1.00 0.00 C ATOM 1034 O ILE A 61 2.978 12.144 4.876 1.00 0.00 O ATOM 1035 CB ILE A 61 1.485 10.191 2.584 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.546 8.695 2.268 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.615 10.967 1.904 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.220 8.432 0.796 1.00 0.00 C ATOM 0 H ILE A 61 -0.467 9.675 4.007 1.00 0.00 H new ATOM 0 HA ILE A 61 2.267 9.788 4.498 1.00 0.00 H new ATOM 0 HB ILE A 61 0.546 10.568 2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.540 8.311 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.842 8.157 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.592 10.778 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.485 12.034 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.574 10.643 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.270 7.361 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.216 8.795 0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.941 8.952 0.165 1.00 0.00 H new ATOM 1050 N ASN A 62 0.855 12.742 4.374 1.00 0.00 N ATOM 1051 CA ASN A 62 1.052 14.142 4.713 1.00 0.00 C ATOM 1052 C ASN A 62 1.407 14.258 6.197 1.00 0.00 C ATOM 1053 O ASN A 62 2.193 15.120 6.585 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.222 14.953 4.467 1.00 0.00 C ATOM 1055 CG ASN A 62 -0.183 15.632 3.096 1.00 0.00 C ATOM 1056 OD1 ASN A 62 0.100 16.811 2.967 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -0.481 14.823 2.083 1.00 0.00 N ATOM 0 H ASN A 62 -0.084 12.509 4.052 1.00 0.00 H new ATOM 0 HA ASN A 62 1.854 14.531 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.092 14.299 4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.334 15.706 5.247 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.481 15.181 1.128 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.709 13.845 2.261 1.00 0.00 H new ATOM 1064 N GLY A 63 0.809 13.377 6.986 1.00 0.00 N ATOM 1065 CA GLY A 63 1.052 13.369 8.418 1.00 0.00 C ATOM 1066 C GLY A 63 -0.218 13.730 9.192 1.00 0.00 C ATOM 1067 O GLY A 63 -0.159 14.039 10.381 1.00 0.00 O ATOM 0 H GLY A 63 0.157 12.664 6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.402 12.384 8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.844 14.078 8.660 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.338 13.679 8.485 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.620 13.996 9.090 1.00 0.00 C ATOM 1073 C HIS A 64 -2.996 12.907 10.096 1.00 0.00 C ATOM 1074 O HIS A 64 -2.871 13.103 11.304 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.690 14.207 8.017 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.184 15.630 7.913 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -5.107 16.169 8.792 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -3.874 16.619 7.026 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -5.335 17.426 8.441 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -4.570 17.703 7.346 1.00 0.00 N ATOM 0 H HIS A 64 -1.384 13.423 7.499 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.546 14.936 9.636 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.287 13.902 7.051 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.537 13.554 8.229 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.180 16.534 6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.008 18.111 8.935 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.538 18.596 6.854 1.00 0.00 H new ATOM 1088 N SER A 65 -3.450 11.783 9.561 1.00 0.00 N ATOM 1089 CA SER A 65 -3.846 10.662 10.397 1.00 0.00 C ATOM 1090 C SER A 65 -2.605 9.941 10.926 1.00 0.00 C ATOM 1091 O SER A 65 -1.482 10.271 10.548 1.00 0.00 O ATOM 1092 CB SER A 65 -4.738 9.688 9.626 1.00 0.00 C ATOM 1093 OG SER A 65 -5.924 9.365 10.347 1.00 0.00 O ATOM 0 H SER A 65 -3.552 11.624 8.559 1.00 0.00 H new ATOM 0 HA SER A 65 -4.420 11.049 11.239 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.006 10.126 8.664 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.181 8.775 9.416 1.00 0.00 H new ATOM 0 HG SER A 65 -6.468 8.742 9.821 1.00 0.00 H new ATOM 1099 N GLU A 66 -2.849 8.969 11.793 1.00 0.00 N ATOM 1100 CA GLU A 66 -1.765 8.198 12.378 1.00 0.00 C ATOM 1101 C GLU A 66 -1.968 6.706 12.106 1.00 0.00 C ATOM 1102 O GLU A 66 -3.039 6.292 11.664 1.00 0.00 O ATOM 1103 CB GLU A 66 -1.646 8.470 13.879 1.00 0.00 C ATOM 1104 CG GLU A 66 -0.740 9.674 14.148 1.00 0.00 C ATOM 1105 CD GLU A 66 -1.232 10.471 15.358 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -1.727 11.596 15.199 1.00 0.00 O ATOM 1107 OE2 GLU A 66 -1.085 9.880 16.495 1.00 0.00 O ATOM 0 H GLU A 66 -3.782 8.698 12.104 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.831 8.509 11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.635 8.654 14.298 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.245 7.589 14.381 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.281 9.334 14.323 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.715 10.318 13.269 1.00 0.00 H new ATOM 1115 N THR A 67 -0.924 5.939 12.382 1.00 0.00 N ATOM 1116 CA THR A 67 -0.974 4.502 12.173 1.00 0.00 C ATOM 1117 C THR A 67 -0.994 3.768 13.515 1.00 0.00 C ATOM 1118 O THR A 67 -0.076 3.914 14.320 1.00 0.00 O ATOM 1119 CB THR A 67 0.209 4.112 11.284 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.153 2.835 10.765 1.00 0.00 O ATOM 1121 CG2 THR A 67 1.481 3.840 12.090 1.00 0.00 C ATOM 0 H THR A 67 -0.038 6.286 12.749 1.00 0.00 H new ATOM 0 HA THR A 67 -1.892 4.208 11.664 1.00 0.00 H new ATOM 0 HB THR A 67 0.399 4.907 10.563 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.023 2.569 11.128 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.290 3.567 11.412 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.759 4.736 12.645 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.302 3.022 12.788 1.00 0.00 H new ATOM 1129 N ASP A 68 -2.051 2.995 13.714 1.00 0.00 N ATOM 1130 CA ASP A 68 -2.203 2.237 14.945 1.00 0.00 C ATOM 1131 C ASP A 68 -1.561 0.859 14.773 1.00 0.00 C ATOM 1132 O ASP A 68 -2.067 -0.134 15.294 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.680 2.032 15.286 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.001 2.010 16.782 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -3.360 1.292 17.563 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -4.969 2.783 17.143 1.00 0.00 O ATOM 0 H ASP A 68 -2.811 2.877 13.044 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.722 2.796 15.747 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.259 2.827 14.817 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.012 1.092 14.844 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.457 0.843 14.041 1.00 0.00 N ATOM 1143 CA LYS A 69 0.259 -0.397 13.794 1.00 0.00 C ATOM 1144 C LYS A 69 1.681 -0.076 13.331 1.00 0.00 C ATOM 1145 O LYS A 69 1.874 0.722 12.415 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.521 -1.281 12.819 1.00 0.00 C ATOM 1147 CG LYS A 69 -0.142 -2.753 12.990 1.00 0.00 C ATOM 1148 CD LYS A 69 -1.215 -3.508 13.777 1.00 0.00 C ATOM 1149 CE LYS A 69 -0.772 -4.942 14.072 1.00 0.00 C ATOM 1150 NZ LYS A 69 -1.700 -5.585 15.029 1.00 0.00 N ATOM 0 H LYS A 69 -0.041 1.669 13.611 1.00 0.00 H new ATOM 0 HA LYS A 69 0.346 -0.976 14.713 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.591 -1.156 12.985 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.318 -0.966 11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.012 -3.215 12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.814 -2.828 13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.419 -2.987 14.712 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.146 -3.521 13.210 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.739 -5.516 13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.238 -4.940 14.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.385 -6.558 15.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.711 -5.045 15.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.658 -5.604 14.624 1.00 0.00 H new ATOM 1163 N GLY A 70 2.641 -0.713 13.986 1.00 0.00 N ATOM 1164 CA GLY A 70 4.040 -0.506 13.652 1.00 0.00 C ATOM 1165 C GLY A 70 4.430 -1.300 12.404 1.00 0.00 C ATOM 1166 O GLY A 70 5.541 -1.159 11.896 1.00 0.00 O ATOM 0 H GLY A 70 2.477 -1.373 14.746 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.224 0.555 13.484 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.666 -0.810 14.491 1.00 0.00 H new ATOM 1170 N HIS A 71 3.494 -2.118 11.946 1.00 0.00 N ATOM 1171 CA HIS A 71 3.725 -2.935 10.766 1.00 0.00 C ATOM 1172 C HIS A 71 3.540 -2.084 9.508 1.00 0.00 C ATOM 1173 O HIS A 71 3.755 -2.561 8.395 1.00 0.00 O ATOM 1174 CB HIS A 71 2.830 -4.175 10.780 1.00 0.00 C ATOM 1175 CG HIS A 71 3.352 -5.300 11.642 1.00 0.00 C ATOM 1176 ND1 HIS A 71 4.700 -5.588 11.763 1.00 0.00 N ATOM 1177 CD2 HIS A 71 2.694 -6.202 12.425 1.00 0.00 C ATOM 1178 CE1 HIS A 71 4.835 -6.620 12.582 1.00 0.00 C ATOM 1179 NE2 HIS A 71 3.591 -7.000 12.991 1.00 0.00 N ATOM 0 H HIS A 71 2.574 -2.233 12.371 1.00 0.00 H new ATOM 0 HA HIS A 71 4.752 -3.300 10.768 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.839 -3.891 11.133 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.713 -4.538 9.759 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.624 -6.258 12.561 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.767 -7.080 12.875 1.00 0.00 H new ATOM 0 HE2 HIS A 71 3.384 -7.770 13.627 1.00 0.00 H new ATOM 1187 N LEU A 72 3.144 -0.839 9.728 1.00 0.00 N ATOM 1188 CA LEU A 72 2.928 0.083 8.625 1.00 0.00 C ATOM 1189 C LEU A 72 4.003 1.171 8.658 1.00 0.00 C ATOM 1190 O LEU A 72 4.323 1.764 7.628 1.00 0.00 O ATOM 1191 CB LEU A 72 1.499 0.629 8.656 1.00 0.00 C ATOM 1192 CG LEU A 72 0.438 -0.303 9.244 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -0.842 0.466 9.579 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.168 -1.486 8.311 1.00 0.00 C ATOM 0 H LEU A 72 2.967 -0.447 10.653 1.00 0.00 H new ATOM 0 HA LEU A 72 3.027 -0.434 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.498 1.556 9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.206 0.884 7.637 1.00 0.00 H new ATOM 0 HG LEU A 72 0.823 -0.712 10.178 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.580 -0.220 9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.618 1.245 10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.241 0.921 8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.590 -2.133 8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.186 -1.117 7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.088 -2.052 8.166 1.00 0.00 H new ATOM 1206 N ILE A 73 4.531 1.402 9.851 1.00 0.00 N ATOM 1207 CA ILE A 73 5.563 2.408 10.031 1.00 0.00 C ATOM 1208 C ILE A 73 6.577 2.302 8.891 1.00 0.00 C ATOM 1209 O ILE A 73 6.937 3.307 8.280 1.00 0.00 O ATOM 1210 CB ILE A 73 6.187 2.292 11.423 1.00 0.00 C ATOM 1211 CG1 ILE A 73 5.418 3.135 12.442 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.674 2.651 11.389 1.00 0.00 C ATOM 1213 CD1 ILE A 73 6.307 3.506 13.630 1.00 0.00 C ATOM 0 H ILE A 73 4.263 0.909 10.703 1.00 0.00 H new ATOM 0 HA ILE A 73 5.133 3.408 9.983 1.00 0.00 H new ATOM 0 HB ILE A 73 6.113 1.253 11.744 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.048 4.042 11.964 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.547 2.582 12.794 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.093 2.560 12.391 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.197 1.973 10.714 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.793 3.676 11.037 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.736 4.105 14.339 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.656 2.598 14.121 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.164 4.080 13.278 1.00 0.00 H new ATOM 1225 N PRO A 74 7.022 1.043 8.633 1.00 0.00 N ATOM 1226 CA PRO A 74 7.988 0.793 7.577 1.00 0.00 C ATOM 1227 C PRO A 74 7.329 0.880 6.199 1.00 0.00 C ATOM 1228 O PRO A 74 7.816 1.586 5.317 1.00 0.00 O ATOM 1229 CB PRO A 74 8.553 -0.586 7.879 1.00 0.00 C ATOM 1230 CG PRO A 74 7.556 -1.248 8.817 1.00 0.00 C ATOM 1231 CD PRO A 74 6.619 -0.171 9.337 1.00 0.00 C ATOM 0 HA PRO A 74 8.783 1.538 7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.675 -1.167 6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.537 -0.512 8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.995 -2.022 8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.074 -1.734 9.643 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.578 -0.420 9.133 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.713 -0.052 10.416 1.00 0.00 H new ATOM 1239 N MET A 75 6.231 0.151 6.056 1.00 0.00 N ATOM 1240 CA MET A 75 5.501 0.137 4.800 1.00 0.00 C ATOM 1241 C MET A 75 5.161 1.559 4.348 1.00 0.00 C ATOM 1242 O MET A 75 5.154 1.848 3.152 1.00 0.00 O ATOM 1243 CB MET A 75 4.210 -0.667 4.970 1.00 0.00 C ATOM 1244 CG MET A 75 4.294 -2.001 4.225 1.00 0.00 C ATOM 1245 SD MET A 75 5.815 -2.837 4.640 1.00 0.00 S ATOM 1246 CE MET A 75 5.514 -3.192 6.364 1.00 0.00 C ATOM 0 H MET A 75 5.830 -0.434 6.789 1.00 0.00 H new ATOM 0 HA MET A 75 6.131 -0.325 4.040 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.027 -0.849 6.029 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.365 -0.089 4.595 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.442 -2.628 4.487 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.245 -1.830 3.150 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.314 -3.823 6.751 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.483 -2.259 6.928 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.561 -3.710 6.468 1.00 0.00 H new ATOM 1256 N LEU A 76 4.888 2.408 5.327 1.00 0.00 N ATOM 1257 CA LEU A 76 4.549 3.792 5.045 1.00 0.00 C ATOM 1258 C LEU A 76 5.752 4.487 4.404 1.00 0.00 C ATOM 1259 O LEU A 76 5.596 5.263 3.462 1.00 0.00 O ATOM 1260 CB LEU A 76 4.039 4.488 6.308 1.00 0.00 C ATOM 1261 CG LEU A 76 2.525 4.697 6.394 1.00 0.00 C ATOM 1262 CD1 LEU A 76 2.140 5.383 7.706 1.00 0.00 C ATOM 1263 CD2 LEU A 76 2.007 5.461 5.174 1.00 0.00 C ATOM 0 H LEU A 76 4.895 2.164 6.317 1.00 0.00 H new ATOM 0 HA LEU A 76 3.730 3.844 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.355 3.905 7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.525 5.461 6.384 1.00 0.00 H new ATOM 0 HG LEU A 76 2.044 3.719 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.059 5.520 7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.456 4.764 8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.631 6.354 7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.929 5.596 5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.492 6.436 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.231 4.896 4.269 1.00 0.00 H new ATOM 1275 N GLU A 77 6.925 4.184 4.940 1.00 0.00 N ATOM 1276 CA GLU A 77 8.154 4.770 4.432 1.00 0.00 C ATOM 1277 C GLU A 77 8.329 4.434 2.949 1.00 0.00 C ATOM 1278 O GLU A 77 8.449 5.331 2.116 1.00 0.00 O ATOM 1279 CB GLU A 77 9.362 4.302 5.246 1.00 0.00 C ATOM 1280 CG GLU A 77 9.791 5.372 6.253 1.00 0.00 C ATOM 1281 CD GLU A 77 10.693 6.416 5.592 1.00 0.00 C ATOM 1282 OE1 GLU A 77 11.837 6.105 5.226 1.00 0.00 O ATOM 1283 OE2 GLU A 77 10.168 7.587 5.461 1.00 0.00 O ATOM 0 H GLU A 77 7.051 3.540 5.721 1.00 0.00 H new ATOM 0 HA GLU A 77 8.086 5.853 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.116 3.380 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.191 4.075 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.909 5.859 6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.319 4.904 7.084 1.00 0.00 H new ATOM 1291 N LYS A 78 8.338 3.140 2.666 1.00 0.00 N ATOM 1292 CA LYS A 78 8.497 2.674 1.299 1.00 0.00 C ATOM 1293 C LYS A 78 7.293 3.124 0.469 1.00 0.00 C ATOM 1294 O LYS A 78 7.455 3.742 -0.582 1.00 0.00 O ATOM 1295 CB LYS A 78 8.733 1.163 1.271 1.00 0.00 C ATOM 1296 CG LYS A 78 7.626 0.421 2.025 1.00 0.00 C ATOM 1297 CD LYS A 78 8.179 -0.820 2.728 1.00 0.00 C ATOM 1298 CE LYS A 78 7.480 -2.088 2.233 1.00 0.00 C ATOM 1299 NZ LYS A 78 7.903 -2.407 0.852 1.00 0.00 N ATOM 0 H LYS A 78 8.238 2.399 3.360 1.00 0.00 H new ATOM 0 HA LYS A 78 9.383 3.119 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.770 0.816 0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.700 0.934 1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.171 1.087 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.840 0.129 1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.251 -0.897 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.044 -0.723 3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.716 -2.922 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.399 -1.951 2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.707 -3.408 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.378 -1.810 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.922 -2.227 0.751 1.00 0.00 H new ATOM 1312 N ILE A 79 6.112 2.796 0.972 1.00 0.00 N ATOM 1313 CA ILE A 79 4.881 3.158 0.290 1.00 0.00 C ATOM 1314 C ILE A 79 4.881 4.663 0.013 1.00 0.00 C ATOM 1315 O ILE A 79 4.928 5.085 -1.142 1.00 0.00 O ATOM 1316 CB ILE A 79 3.666 2.680 1.088 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.644 1.154 1.192 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.368 3.233 0.494 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.805 0.698 2.387 1.00 0.00 C ATOM 0 H ILE A 79 5.981 2.283 1.844 1.00 0.00 H new ATOM 0 HA ILE A 79 4.818 2.655 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 79 3.748 3.070 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.237 0.729 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.662 0.778 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.520 2.878 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.393 4.322 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.265 2.892 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.806 -0.391 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.229 1.105 3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.782 1.055 2.270 1.00 0.00 H new ATOM 1331 N ARG A 80 4.827 5.431 1.091 1.00 0.00 N ATOM 1332 CA ARG A 80 4.820 6.880 0.977 1.00 0.00 C ATOM 1333 C ARG A 80 5.806 7.333 -0.101 1.00 0.00 C ATOM 1334 O ARG A 80 5.534 8.278 -0.839 1.00 0.00 O ATOM 1335 CB ARG A 80 5.191 7.538 2.308 1.00 0.00 C ATOM 1336 CG ARG A 80 5.045 9.059 2.227 1.00 0.00 C ATOM 1337 CD ARG A 80 6.371 9.755 2.539 1.00 0.00 C ATOM 1338 NE ARG A 80 6.302 10.403 3.868 1.00 0.00 N ATOM 1339 CZ ARG A 80 7.379 10.664 4.639 1.00 0.00 C ATOM 1340 NH1 ARG A 80 8.619 10.334 4.219 1.00 0.00 N ATOM 1341 NH2 ARG A 80 7.202 11.246 5.811 1.00 0.00 N ATOM 0 H ARG A 80 4.788 5.078 2.047 1.00 0.00 H new ATOM 0 HA ARG A 80 3.811 7.186 0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.552 7.149 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.217 7.281 2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.707 9.343 1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.281 9.392 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.185 9.030 2.521 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.590 10.499 1.773 1.00 0.00 H new ATOM 0 HE ARG A 80 5.384 10.669 4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.748 9.884 3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.427 10.535 4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.262 11.491 6.122 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.005 11.450 6.406 1.00 0.00 H new ATOM 1354 N ARG A 81 6.932 6.637 -0.157 1.00 0.00 N ATOM 1355 CA ARG A 81 7.961 6.956 -1.133 1.00 0.00 C ATOM 1356 C ARG A 81 7.354 7.044 -2.535 1.00 0.00 C ATOM 1357 O ARG A 81 7.381 8.102 -3.161 1.00 0.00 O ATOM 1358 CB ARG A 81 9.069 5.901 -1.130 1.00 0.00 C ATOM 1359 CG ARG A 81 10.439 6.544 -1.349 1.00 0.00 C ATOM 1360 CD ARG A 81 11.195 5.852 -2.485 1.00 0.00 C ATOM 1361 NE ARG A 81 10.516 6.108 -3.775 1.00 0.00 N ATOM 1362 CZ ARG A 81 11.108 5.979 -4.981 1.00 0.00 C ATOM 1363 NH1 ARG A 81 12.399 5.595 -5.073 1.00 0.00 N ATOM 1364 NH2 ARG A 81 10.406 6.234 -6.070 1.00 0.00 N ATOM 0 H ARG A 81 7.155 5.854 0.457 1.00 0.00 H new ATOM 0 HA ARG A 81 8.391 7.919 -0.858 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.063 5.365 -0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.879 5.167 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.315 7.602 -1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.023 6.486 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.221 6.218 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.246 4.779 -2.298 1.00 0.00 H new ATOM 0 HE ARG A 81 9.539 6.400 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.935 5.400 -4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.839 5.500 -5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.431 6.524 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.839 6.141 -6.989 1.00 0.00 H new ATOM 1377 N ALA A 82 6.819 5.919 -2.985 1.00 0.00 N ATOM 1378 CA ALA A 82 6.207 5.856 -4.301 1.00 0.00 C ATOM 1379 C ALA A 82 4.969 6.756 -4.327 1.00 0.00 C ATOM 1380 O ALA A 82 4.830 7.601 -5.209 1.00 0.00 O ATOM 1381 CB ALA A 82 5.877 4.401 -4.642 1.00 0.00 C ATOM 0 H ALA A 82 6.797 5.044 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 82 6.896 6.221 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.418 4.354 -5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.793 3.810 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.185 4.001 -3.901 1.00 0.00 H new TER 1387 ALA A 82