USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=9 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+ -156:sc= 0.00358 (180deg=0) USER MOD Single : A 2 MET CE :methyl 170:sc= 0 (180deg=-0.159) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0211 X(o=-0.021,f=0.0079) USER MOD Single : A 16 THR OG1 : rot -92:sc= 0.749 USER MOD Single : A 31 MET CE :methyl -153:sc= -0.19 (180deg=-2.23!) 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=-0.01) USER MOD Single : A 39 SER OG : rot 68:sc= -0.251 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 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.029) USER MOD Single : A 55 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.4!) USER MOD Single : A 62 ASN : amide:sc= -3.61 K(o=-3.6,f=-9.8!) 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= -0.819 USER MOD Single : A 67 THR OG1 : rot 77:sc= -3.25! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.544 -10.775 6.520 1.00 0.00 N ATOM 2 CA MET A 1 -8.115 -12.135 6.799 1.00 0.00 C ATOM 3 C MET A 1 -6.780 -12.440 6.116 1.00 0.00 C ATOM 4 O MET A 1 -6.245 -11.604 5.389 1.00 0.00 O ATOM 5 CB MET A 1 -9.178 -13.118 6.303 1.00 0.00 C ATOM 6 CG MET A 1 -9.600 -14.077 7.418 1.00 0.00 C ATOM 7 SD MET A 1 -11.196 -14.783 7.044 1.00 0.00 S ATOM 8 CE MET A 1 -11.581 -15.530 8.619 1.00 0.00 C ATOM 0 H1 MET A 1 -9.187 -10.453 7.271 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.714 -10.150 6.483 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.039 -10.748 5.606 1.00 0.00 H new ATOM 0 HA MET A 1 -7.984 -12.241 7.876 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.047 -12.568 5.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.788 -13.686 5.458 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.859 -14.869 7.527 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.642 -13.546 8.369 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.553 -16.019 8.562 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.818 -16.267 8.868 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.607 -14.760 9.390 1.00 0.00 H new ATOM 18 N MET A 2 -6.281 -13.640 6.373 1.00 0.00 N ATOM 19 CA MET A 2 -5.019 -14.066 5.792 1.00 0.00 C ATOM 20 C MET A 2 -5.250 -14.923 4.547 1.00 0.00 C ATOM 21 O MET A 2 -5.102 -16.144 4.592 1.00 0.00 O ATOM 22 CB MET A 2 -4.227 -14.869 6.825 1.00 0.00 C ATOM 23 CG MET A 2 -2.733 -14.544 6.744 1.00 0.00 C ATOM 24 SD MET A 2 -2.007 -14.603 8.374 1.00 0.00 S ATOM 25 CE MET A 2 -2.225 -16.335 8.748 1.00 0.00 C ATOM 0 H MET A 2 -6.728 -14.331 6.976 1.00 0.00 H new ATOM 0 HA MET A 2 -4.457 -13.179 5.500 1.00 0.00 H new ATOM 0 HB2 MET A 2 -4.598 -14.647 7.826 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.381 -15.935 6.658 1.00 0.00 H new ATOM 0 HG2 MET A 2 -2.232 -15.256 6.088 1.00 0.00 H new ATOM 0 HG3 MET A 2 -2.591 -13.555 6.309 1.00 0.00 H new ATOM 0 HE1 MET A 2 -1.671 -16.584 9.653 1.00 0.00 H new ATOM 0 HE2 MET A 2 -3.284 -16.544 8.902 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.854 -16.936 7.918 1.00 0.00 H new ATOM 35 N VAL A 3 -5.610 -14.251 3.463 1.00 0.00 N ATOM 36 CA VAL A 3 -5.864 -14.937 2.207 1.00 0.00 C ATOM 37 C VAL A 3 -4.883 -14.430 1.148 1.00 0.00 C ATOM 38 O VAL A 3 -4.394 -13.305 1.237 1.00 0.00 O ATOM 39 CB VAL A 3 -7.328 -14.760 1.800 1.00 0.00 C ATOM 40 CG1 VAL A 3 -7.692 -15.692 0.643 1.00 0.00 C ATOM 41 CG2 VAL A 3 -8.259 -14.978 2.994 1.00 0.00 C ATOM 0 H VAL A 3 -5.732 -13.239 3.428 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.699 -16.009 2.317 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.459 -13.734 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.738 -15.546 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.061 -15.468 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.537 -16.727 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.294 -14.846 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.124 -15.988 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.024 -14.255 3.775 1.00 0.00 H new ATOM 51 N PHE A 4 -4.626 -15.284 0.168 1.00 0.00 N ATOM 52 CA PHE A 4 -3.713 -14.937 -0.907 1.00 0.00 C ATOM 53 C PHE A 4 -4.024 -15.740 -2.172 1.00 0.00 C ATOM 54 O PHE A 4 -4.061 -16.969 -2.137 1.00 0.00 O ATOM 55 CB PHE A 4 -2.303 -15.288 -0.428 1.00 0.00 C ATOM 56 CG PHE A 4 -1.188 -14.755 -1.330 1.00 0.00 C ATOM 57 CD1 PHE A 4 -1.082 -15.194 -2.613 1.00 0.00 C ATOM 58 CD2 PHE A 4 -0.303 -13.841 -0.848 1.00 0.00 C ATOM 59 CE1 PHE A 4 -0.047 -14.698 -3.450 1.00 0.00 C ATOM 60 CE2 PHE A 4 0.732 -13.346 -1.685 1.00 0.00 C ATOM 61 CZ PHE A 4 0.838 -13.785 -2.968 1.00 0.00 C ATOM 0 H PHE A 4 -5.035 -16.216 0.096 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.809 -13.878 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.163 -14.892 0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.213 -16.372 -0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.785 -15.920 -2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.388 -13.492 0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.037 -15.046 -4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.435 -12.621 -1.303 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.625 -13.408 -3.604 1.00 0.00 H new ATOM 71 N ASP A 5 -4.240 -15.013 -3.258 1.00 0.00 N ATOM 72 CA ASP A 5 -4.547 -15.643 -4.531 1.00 0.00 C ATOM 73 C ASP A 5 -4.563 -14.579 -5.631 1.00 0.00 C ATOM 74 O ASP A 5 -4.573 -13.383 -5.342 1.00 0.00 O ATOM 75 CB ASP A 5 -5.923 -16.309 -4.498 1.00 0.00 C ATOM 76 CG ASP A 5 -6.594 -16.341 -3.124 1.00 0.00 C ATOM 77 OD1 ASP A 5 -6.453 -17.313 -2.367 1.00 0.00 O ATOM 78 OD2 ASP A 5 -7.296 -15.297 -2.835 1.00 0.00 O ATOM 0 H ASP A 5 -4.209 -13.994 -3.283 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.785 -16.398 -4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.579 -15.787 -5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.823 -17.332 -4.861 1.00 0.00 H new ATOM 84 N ASP A 6 -4.564 -15.052 -6.868 1.00 0.00 N ATOM 85 CA ASP A 6 -4.579 -14.156 -8.012 1.00 0.00 C ATOM 86 C ASP A 6 -5.578 -13.026 -7.757 1.00 0.00 C ATOM 87 O ASP A 6 -5.422 -11.925 -8.281 1.00 0.00 O ATOM 88 CB ASP A 6 -5.012 -14.892 -9.282 1.00 0.00 C ATOM 89 CG ASP A 6 -3.900 -15.671 -9.988 1.00 0.00 C ATOM 90 OD1 ASP A 6 -3.801 -16.900 -9.859 1.00 0.00 O ATOM 91 OD2 ASP A 6 -3.104 -14.954 -10.707 1.00 0.00 O ATOM 0 H ASP A 6 -4.555 -16.044 -7.104 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.571 -13.765 -8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.815 -15.584 -9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.427 -14.166 -9.981 1.00 0.00 H new ATOM 97 N ILE A 7 -6.583 -13.338 -6.951 1.00 0.00 N ATOM 98 CA ILE A 7 -7.607 -12.363 -6.619 1.00 0.00 C ATOM 99 C ILE A 7 -7.023 -11.322 -5.662 1.00 0.00 C ATOM 100 O ILE A 7 -7.163 -10.120 -5.886 1.00 0.00 O ATOM 101 CB ILE A 7 -8.858 -13.061 -6.081 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.410 -14.059 -7.100 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.912 -12.040 -5.648 1.00 0.00 C ATOM 104 CD1 ILE A 7 -9.658 -13.383 -8.450 1.00 0.00 C ATOM 0 H ILE A 7 -6.709 -14.253 -6.518 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.929 -11.829 -7.513 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.578 -13.629 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.707 -14.883 -7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.340 -14.488 -6.727 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.791 -12.562 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.502 -11.404 -4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.195 -11.425 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.050 -14.114 -9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.380 -12.576 -8.325 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.721 -12.977 -8.831 1.00 0.00 H new ATOM 116 N ALA A 8 -6.382 -11.821 -4.616 1.00 0.00 N ATOM 117 CA ALA A 8 -5.776 -10.949 -3.624 1.00 0.00 C ATOM 118 C ALA A 8 -5.004 -9.834 -4.333 1.00 0.00 C ATOM 119 O ALA A 8 -4.957 -8.703 -3.852 1.00 0.00 O ATOM 120 CB ALA A 8 -4.885 -11.775 -2.694 1.00 0.00 C ATOM 0 H ALA A 8 -6.269 -12.818 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.542 -10.478 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.430 -11.121 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.487 -12.533 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.102 -12.261 -3.277 1.00 0.00 H new ATOM 126 N LYS A 9 -4.419 -10.193 -5.467 1.00 0.00 N ATOM 127 CA LYS A 9 -3.652 -9.237 -6.247 1.00 0.00 C ATOM 128 C LYS A 9 -4.591 -8.161 -6.795 1.00 0.00 C ATOM 129 O LYS A 9 -4.440 -6.981 -6.480 1.00 0.00 O ATOM 130 CB LYS A 9 -2.843 -9.956 -7.329 1.00 0.00 C ATOM 131 CG LYS A 9 -1.429 -9.379 -7.431 1.00 0.00 C ATOM 132 CD LYS A 9 -0.408 -10.480 -7.722 1.00 0.00 C ATOM 133 CE LYS A 9 -0.055 -11.251 -6.448 1.00 0.00 C ATOM 134 NZ LYS A 9 1.364 -11.672 -6.473 1.00 0.00 N ATOM 0 H LYS A 9 -4.461 -11.132 -5.864 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.921 -8.731 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.790 -11.021 -7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.349 -9.861 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.395 -8.628 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.170 -8.875 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.810 -11.166 -8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.494 -10.041 -8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.240 -10.626 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.698 -12.126 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.587 -12.194 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.529 -12.286 -7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.974 -10.832 -6.539 1.00 0.00 H new ATOM 147 N ARG A 10 -5.541 -8.606 -7.604 1.00 0.00 N ATOM 148 CA ARG A 10 -6.505 -7.695 -8.198 1.00 0.00 C ATOM 149 C ARG A 10 -7.323 -7.002 -7.107 1.00 0.00 C ATOM 150 O ARG A 10 -7.866 -5.920 -7.325 1.00 0.00 O ATOM 151 CB ARG A 10 -7.453 -8.437 -9.143 1.00 0.00 C ATOM 152 CG ARG A 10 -7.038 -8.240 -10.602 1.00 0.00 C ATOM 153 CD ARG A 10 -8.185 -8.592 -11.551 1.00 0.00 C ATOM 154 NE ARG A 10 -8.332 -7.539 -12.580 1.00 0.00 N ATOM 155 CZ ARG A 10 -9.352 -7.479 -13.463 1.00 0.00 C ATOM 156 NH1 ARG A 10 -10.325 -8.414 -13.448 1.00 0.00 N ATOM 157 NH2 ARG A 10 -9.383 -6.493 -14.340 1.00 0.00 N ATOM 0 H ARG A 10 -5.664 -9.585 -7.862 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.950 -6.950 -8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.454 -9.500 -8.902 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.472 -8.076 -8.999 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.735 -7.205 -10.761 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.172 -8.864 -10.825 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.992 -9.553 -12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.114 -8.696 -10.990 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.618 -6.812 -12.625 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.293 -9.172 -12.767 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.092 -8.362 -14.118 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.643 -5.791 -14.344 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.147 -6.433 -15.014 1.00 0.00 H new ATOM 170 N LYS A 11 -7.385 -7.654 -5.955 1.00 0.00 N ATOM 171 CA LYS A 11 -8.128 -7.113 -4.828 1.00 0.00 C ATOM 172 C LYS A 11 -7.332 -5.966 -4.202 1.00 0.00 C ATOM 173 O LYS A 11 -7.827 -4.845 -4.101 1.00 0.00 O ATOM 174 CB LYS A 11 -8.486 -8.225 -3.840 1.00 0.00 C ATOM 175 CG LYS A 11 -9.199 -7.657 -2.611 1.00 0.00 C ATOM 176 CD LYS A 11 -10.676 -7.391 -2.908 1.00 0.00 C ATOM 177 CE LYS A 11 -11.570 -7.982 -1.816 1.00 0.00 C ATOM 178 NZ LYS A 11 -12.972 -8.068 -2.283 1.00 0.00 N ATOM 0 H LYS A 11 -6.933 -8.551 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.078 -6.697 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.126 -8.959 -4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.581 -8.747 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.112 -8.357 -1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.714 -6.731 -2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.848 -6.317 -2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.940 -7.824 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.211 -8.974 -1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.516 -7.364 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.565 -8.471 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.317 -7.117 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.021 -8.677 -3.125 1.00 0.00 H new ATOM 191 N ILE A 12 -6.112 -6.287 -3.796 1.00 0.00 N ATOM 192 CA ILE A 12 -5.243 -5.298 -3.182 1.00 0.00 C ATOM 193 C ILE A 12 -5.302 -4.001 -3.992 1.00 0.00 C ATOM 194 O ILE A 12 -5.467 -2.920 -3.429 1.00 0.00 O ATOM 195 CB ILE A 12 -3.828 -5.856 -3.017 1.00 0.00 C ATOM 196 CG1 ILE A 12 -3.268 -5.529 -1.631 1.00 0.00 C ATOM 197 CG2 ILE A 12 -2.910 -5.364 -4.137 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.073 -6.423 -1.297 1.00 0.00 C ATOM 0 H ILE A 12 -5.705 -7.218 -3.880 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.587 -5.062 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.878 -6.942 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.965 -4.483 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.047 -5.661 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.911 -5.775 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.304 -5.690 -5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.861 -4.275 -4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.694 -6.170 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.385 -7.467 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.287 -6.270 -2.036 1.00 0.00 H new ATOM 210 N ARG A 13 -5.163 -4.152 -5.301 1.00 0.00 N ATOM 211 CA ARG A 13 -5.198 -3.006 -6.194 1.00 0.00 C ATOM 212 C ARG A 13 -6.554 -2.303 -6.103 1.00 0.00 C ATOM 213 O ARG A 13 -6.621 -1.112 -5.802 1.00 0.00 O ATOM 214 CB ARG A 13 -4.947 -3.429 -7.643 1.00 0.00 C ATOM 215 CG ARG A 13 -4.135 -2.370 -8.391 1.00 0.00 C ATOM 216 CD ARG A 13 -3.847 -2.813 -9.827 1.00 0.00 C ATOM 217 NE ARG A 13 -4.804 -2.171 -10.756 1.00 0.00 N ATOM 218 CZ ARG A 13 -4.971 -2.541 -12.043 1.00 0.00 C ATOM 219 NH1 ARG A 13 -4.245 -3.552 -12.566 1.00 0.00 N ATOM 220 NH2 ARG A 13 -5.855 -1.898 -12.784 1.00 0.00 N ATOM 0 H ARG A 13 -5.026 -5.050 -5.765 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.408 -2.321 -5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.415 -4.380 -7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.899 -3.587 -8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.682 -1.427 -8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.196 -2.189 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.826 -2.546 -10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.924 -3.898 -9.904 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.372 -1.402 -10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.564 -4.043 -11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.378 -3.825 -13.540 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.399 -1.135 -12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.994 -2.165 -13.759 1.00 0.00 H new ATOM 233 N PHE A 14 -7.601 -3.070 -6.368 1.00 0.00 N ATOM 234 CA PHE A 14 -8.952 -2.536 -6.319 1.00 0.00 C ATOM 235 C PHE A 14 -9.327 -2.123 -4.895 1.00 0.00 C ATOM 236 O PHE A 14 -10.361 -1.492 -4.679 1.00 0.00 O ATOM 237 CB PHE A 14 -9.891 -3.653 -6.779 1.00 0.00 C ATOM 238 CG PHE A 14 -10.193 -3.634 -8.278 1.00 0.00 C ATOM 239 CD1 PHE A 14 -9.175 -3.694 -9.178 1.00 0.00 C ATOM 240 CD2 PHE A 14 -11.480 -3.557 -8.712 1.00 0.00 C ATOM 241 CE1 PHE A 14 -9.456 -3.677 -10.570 1.00 0.00 C ATOM 242 CE2 PHE A 14 -11.761 -3.540 -10.104 1.00 0.00 C ATOM 243 CZ PHE A 14 -10.743 -3.600 -11.004 1.00 0.00 C ATOM 0 H PHE A 14 -7.541 -4.057 -6.617 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.027 -1.654 -6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.449 -4.615 -6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.829 -3.575 -6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.153 -3.755 -8.834 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.289 -3.509 -7.998 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.647 -3.725 -11.284 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.783 -3.479 -10.448 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.956 -3.587 -12.063 1.00 0.00 H new ATOM 253 N GLN A 15 -8.467 -2.497 -3.958 1.00 0.00 N ATOM 254 CA GLN A 15 -8.696 -2.173 -2.560 1.00 0.00 C ATOM 255 C GLN A 15 -8.418 -0.691 -2.306 1.00 0.00 C ATOM 256 O GLN A 15 -8.858 -0.136 -1.301 1.00 0.00 O ATOM 257 CB GLN A 15 -7.843 -3.056 -1.647 1.00 0.00 C ATOM 258 CG GLN A 15 -8.721 -3.971 -0.792 1.00 0.00 C ATOM 259 CD GLN A 15 -8.710 -3.530 0.673 1.00 0.00 C ATOM 260 OE1 GLN A 15 -9.078 -2.419 1.016 1.00 0.00 O ATOM 261 NE2 GLN A 15 -8.268 -4.460 1.515 1.00 0.00 N ATOM 0 H GLN A 15 -7.611 -3.021 -4.140 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.743 -2.370 -2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.163 -3.658 -2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.227 -2.430 -1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.743 -3.959 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.365 -4.998 -0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.975 -5.371 1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.222 -4.263 2.515 1.00 0.00 H new ATOM 270 N THR A 16 -7.688 -0.090 -3.235 1.00 0.00 N ATOM 271 CA THR A 16 -7.346 1.317 -3.124 1.00 0.00 C ATOM 272 C THR A 16 -8.469 2.186 -3.694 1.00 0.00 C ATOM 273 O THR A 16 -8.852 3.187 -3.091 1.00 0.00 O ATOM 274 CB THR A 16 -5.999 1.533 -3.818 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.238 1.144 -5.168 1.00 0.00 O ATOM 276 CG2 THR A 16 -4.927 0.555 -3.333 1.00 0.00 C ATOM 0 H THR A 16 -7.324 -0.553 -4.068 1.00 0.00 H new ATOM 0 HA THR A 16 -7.243 1.617 -2.081 1.00 0.00 H new ATOM 0 HB THR A 16 -5.662 2.555 -3.646 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.009 0.198 -5.281 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.992 0.751 -3.857 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.776 0.683 -2.261 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.248 -0.467 -3.535 1.00 0.00 H new ATOM 284 N ARG A 17 -8.966 1.771 -4.850 1.00 0.00 N ATOM 285 CA ARG A 17 -10.037 2.498 -5.509 1.00 0.00 C ATOM 286 C ARG A 17 -11.030 3.031 -4.474 1.00 0.00 C ATOM 287 O ARG A 17 -11.329 2.357 -3.490 1.00 0.00 O ATOM 288 CB ARG A 17 -10.779 1.604 -6.504 1.00 0.00 C ATOM 289 CG ARG A 17 -11.592 2.442 -7.494 1.00 0.00 C ATOM 290 CD ARG A 17 -13.092 2.290 -7.238 1.00 0.00 C ATOM 291 NE ARG A 17 -13.733 3.623 -7.179 1.00 0.00 N ATOM 292 CZ ARG A 17 -15.033 3.851 -7.464 1.00 0.00 C ATOM 293 NH1 ARG A 17 -15.842 2.834 -7.831 1.00 0.00 N ATOM 294 NH2 ARG A 17 -15.500 5.082 -7.379 1.00 0.00 N ATOM 0 H ARG A 17 -8.646 0.940 -5.347 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.589 3.331 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.064 0.986 -7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.442 0.926 -5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.309 3.491 -7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.360 2.133 -8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.546 1.694 -8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.257 1.756 -6.302 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.157 4.419 -6.906 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.472 1.886 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.823 3.014 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.881 5.844 -7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.480 5.272 -7.591 1.00 0.00 H new ATOM 307 N ARG A 18 -11.515 4.237 -4.733 1.00 0.00 N ATOM 308 CA ARG A 18 -12.469 4.868 -3.836 1.00 0.00 C ATOM 309 C ARG A 18 -11.736 5.567 -2.689 1.00 0.00 C ATOM 310 O ARG A 18 -10.749 5.047 -2.170 1.00 0.00 O ATOM 311 CB ARG A 18 -13.445 3.842 -3.259 1.00 0.00 C ATOM 312 CG ARG A 18 -14.834 4.454 -3.066 1.00 0.00 C ATOM 313 CD ARG A 18 -15.931 3.436 -3.386 1.00 0.00 C ATOM 314 NE ARG A 18 -17.261 4.019 -3.097 1.00 0.00 N ATOM 315 CZ ARG A 18 -18.425 3.348 -3.228 1.00 0.00 C ATOM 316 NH1 ARG A 18 -18.433 2.064 -3.645 1.00 0.00 N ATOM 317 NH2 ARG A 18 -19.556 3.967 -2.942 1.00 0.00 N ATOM 0 H ARG A 18 -11.265 4.793 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.032 5.602 -4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.512 2.983 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.070 3.475 -2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.943 4.801 -2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.944 5.327 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.873 3.143 -4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.784 2.532 -2.794 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.300 4.987 -2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.555 1.593 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.317 1.565 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.541 4.937 -2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -20.445 3.475 -3.036 1.00 0.00 H new ATOM 330 N GLY A 19 -12.248 6.734 -2.326 1.00 0.00 N ATOM 331 CA GLY A 19 -11.655 7.509 -1.250 1.00 0.00 C ATOM 332 C GLY A 19 -11.297 8.919 -1.722 1.00 0.00 C ATOM 333 O GLY A 19 -11.848 9.902 -1.228 1.00 0.00 O ATOM 0 H GLY A 19 -13.067 7.161 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.351 7.568 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.760 7.006 -0.885 1.00 0.00 H new ATOM 337 N LEU A 20 -10.376 8.974 -2.673 1.00 0.00 N ATOM 338 CA LEU A 20 -9.938 10.248 -3.218 1.00 0.00 C ATOM 339 C LEU A 20 -9.478 10.049 -4.663 1.00 0.00 C ATOM 340 O LEU A 20 -8.798 9.071 -4.973 1.00 0.00 O ATOM 341 CB LEU A 20 -8.877 10.880 -2.316 1.00 0.00 C ATOM 342 CG LEU A 20 -9.383 11.910 -1.303 1.00 0.00 C ATOM 343 CD1 LEU A 20 -8.270 12.880 -0.904 1.00 0.00 C ATOM 344 CD2 LEU A 20 -10.617 12.642 -1.836 1.00 0.00 C ATOM 0 H LEU A 20 -9.921 8.157 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.766 10.957 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.370 10.083 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.130 11.359 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.687 11.380 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.657 13.601 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.447 12.324 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.912 13.407 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.957 13.368 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.362 13.158 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.412 11.922 -2.029 1.00 0.00 H new ATOM 356 N LEU A 21 -9.866 10.991 -5.510 1.00 0.00 N ATOM 357 CA LEU A 21 -9.501 10.931 -6.915 1.00 0.00 C ATOM 358 C LEU A 21 -7.984 10.774 -7.038 1.00 0.00 C ATOM 359 O LEU A 21 -7.495 9.706 -7.403 1.00 0.00 O ATOM 360 CB LEU A 21 -10.056 12.144 -7.665 1.00 0.00 C ATOM 361 CG LEU A 21 -9.524 12.356 -9.084 1.00 0.00 C ATOM 362 CD1 LEU A 21 -9.937 11.204 -10.002 1.00 0.00 C ATOM 363 CD2 LEU A 21 -9.962 13.715 -9.636 1.00 0.00 C ATOM 0 H LEU A 21 -10.430 11.800 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.951 10.058 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.141 12.050 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.840 13.038 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.435 12.361 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.546 11.379 -11.004 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.535 10.268 -9.614 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.025 11.143 -10.042 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.571 13.841 -10.646 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.051 13.764 -9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.577 14.509 -8.996 1.00 0.00 H new ATOM 375 N GLU A 22 -7.282 11.853 -6.725 1.00 0.00 N ATOM 376 CA GLU A 22 -5.831 11.849 -6.796 1.00 0.00 C ATOM 377 C GLU A 22 -5.279 10.515 -6.290 1.00 0.00 C ATOM 378 O GLU A 22 -4.388 9.933 -6.907 1.00 0.00 O ATOM 379 CB GLU A 22 -5.240 13.020 -6.009 1.00 0.00 C ATOM 380 CG GLU A 22 -4.255 13.816 -6.868 1.00 0.00 C ATOM 381 CD GLU A 22 -4.967 14.946 -7.614 1.00 0.00 C ATOM 382 OE1 GLU A 22 -4.952 16.098 -7.157 1.00 0.00 O ATOM 383 OE2 GLU A 22 -5.551 14.592 -8.709 1.00 0.00 O ATOM 0 H GLU A 22 -7.692 12.736 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.538 11.970 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.042 13.675 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.733 12.646 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.469 14.231 -6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.771 13.151 -7.584 1.00 0.00 H new ATOM 391 N LEU A 23 -5.832 10.068 -5.171 1.00 0.00 N ATOM 392 CA LEU A 23 -5.406 8.813 -4.575 1.00 0.00 C ATOM 393 C LEU A 23 -5.485 7.703 -5.624 1.00 0.00 C ATOM 394 O LEU A 23 -4.499 7.012 -5.878 1.00 0.00 O ATOM 395 CB LEU A 23 -6.213 8.521 -3.308 1.00 0.00 C ATOM 396 CG LEU A 23 -5.454 7.828 -2.174 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.150 7.211 -2.685 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.215 8.789 -1.007 1.00 0.00 C ATOM 0 H LEU A 23 -6.571 10.553 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.366 8.876 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.611 9.462 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.067 7.900 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.071 7.012 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.630 6.725 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.374 6.475 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.516 7.993 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.674 8.272 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.628 9.640 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.173 9.140 -0.623 1.00 0.00 H new ATOM 410 N ASP A 24 -6.668 7.565 -6.206 1.00 0.00 N ATOM 411 CA ASP A 24 -6.888 6.550 -7.222 1.00 0.00 C ATOM 412 C ASP A 24 -5.752 6.604 -8.245 1.00 0.00 C ATOM 413 O ASP A 24 -5.309 5.569 -8.740 1.00 0.00 O ATOM 414 CB ASP A 24 -8.204 6.790 -7.964 1.00 0.00 C ATOM 415 CG ASP A 24 -8.651 5.645 -8.875 1.00 0.00 C ATOM 416 OD1 ASP A 24 -9.022 4.561 -8.403 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.607 5.905 -10.138 1.00 0.00 O ATOM 0 H ASP A 24 -7.484 8.139 -5.993 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.925 5.580 -6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.988 6.978 -7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.106 7.695 -8.564 1.00 0.00 H new ATOM 423 N LEU A 25 -5.314 7.821 -8.532 1.00 0.00 N ATOM 424 CA LEU A 25 -4.238 8.023 -9.487 1.00 0.00 C ATOM 425 C LEU A 25 -2.909 7.621 -8.845 1.00 0.00 C ATOM 426 O LEU A 25 -2.144 6.851 -9.422 1.00 0.00 O ATOM 427 CB LEU A 25 -4.255 9.458 -10.018 1.00 0.00 C ATOM 428 CG LEU A 25 -5.637 10.093 -10.188 1.00 0.00 C ATOM 429 CD1 LEU A 25 -5.541 11.418 -10.948 1.00 0.00 C ATOM 430 CD2 LEU A 25 -6.610 9.119 -10.855 1.00 0.00 C ATOM 0 H LEU A 25 -5.685 8.677 -8.120 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.378 7.383 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.671 10.082 -9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.748 9.473 -10.983 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.034 10.317 -9.198 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.536 11.849 -11.055 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.904 12.109 -10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.114 11.241 -11.935 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.584 9.595 -10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.230 8.841 -11.838 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.710 8.225 -10.239 1.00 0.00 H new ATOM 442 N ILE A 26 -2.675 8.162 -7.658 1.00 0.00 N ATOM 443 CA ILE A 26 -1.451 7.869 -6.931 1.00 0.00 C ATOM 444 C ILE A 26 -1.177 6.365 -6.986 1.00 0.00 C ATOM 445 O ILE A 26 -0.070 5.945 -7.321 1.00 0.00 O ATOM 446 CB ILE A 26 -1.527 8.429 -5.508 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.738 9.944 -5.525 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.292 8.031 -4.697 1.00 0.00 C ATOM 449 CD1 ILE A 26 -2.515 10.403 -4.290 1.00 0.00 C ATOM 0 H ILE A 26 -3.312 8.801 -7.182 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.601 8.365 -7.400 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.393 7.990 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.773 10.449 -5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.280 10.229 -6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.370 8.441 -3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.227 6.944 -4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.603 8.424 -5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.651 11.484 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.489 9.915 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.959 10.138 -3.391 1.00 0.00 H new ATOM 461 N PHE A 27 -2.203 5.596 -6.654 1.00 0.00 N ATOM 462 CA PHE A 27 -2.086 4.148 -6.662 1.00 0.00 C ATOM 463 C PHE A 27 -1.653 3.640 -8.038 1.00 0.00 C ATOM 464 O PHE A 27 -0.821 2.739 -8.138 1.00 0.00 O ATOM 465 CB PHE A 27 -3.472 3.586 -6.337 1.00 0.00 C ATOM 466 CG PHE A 27 -3.906 3.800 -4.886 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.239 3.178 -3.877 1.00 0.00 C ATOM 468 CD2 PHE A 27 -4.959 4.613 -4.604 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.642 3.377 -2.530 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.362 4.812 -3.257 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.695 4.190 -2.248 1.00 0.00 C ATOM 0 H PHE A 27 -3.119 5.948 -6.378 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.337 3.831 -5.936 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.205 4.050 -6.997 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.480 2.518 -6.554 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.402 2.532 -4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.489 5.107 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.112 2.883 -1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.199 5.458 -3.034 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.001 4.342 -1.224 1.00 0.00 H new ATOM 481 N GLY A 28 -2.236 4.241 -9.065 1.00 0.00 N ATOM 482 CA GLY A 28 -1.920 3.861 -10.432 1.00 0.00 C ATOM 483 C GLY A 28 -0.417 3.631 -10.604 1.00 0.00 C ATOM 484 O GLY A 28 -0.003 2.669 -11.250 1.00 0.00 O ATOM 0 H GLY A 28 -2.925 4.988 -8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.463 2.953 -10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.253 4.641 -11.116 1.00 0.00 H new ATOM 488 N ARG A 29 0.358 4.529 -10.014 1.00 0.00 N ATOM 489 CA ARG A 29 1.806 4.436 -10.094 1.00 0.00 C ATOM 490 C ARG A 29 2.346 3.576 -8.950 1.00 0.00 C ATOM 491 O ARG A 29 3.113 2.642 -9.179 1.00 0.00 O ATOM 492 CB ARG A 29 2.451 5.821 -10.030 1.00 0.00 C ATOM 493 CG ARG A 29 2.646 6.401 -11.433 1.00 0.00 C ATOM 494 CD ARG A 29 4.113 6.761 -11.678 1.00 0.00 C ATOM 495 NE ARG A 29 4.534 6.287 -13.015 1.00 0.00 N ATOM 496 CZ ARG A 29 4.914 5.020 -13.284 1.00 0.00 C ATOM 497 NH1 ARG A 29 4.929 4.087 -12.308 1.00 0.00 N ATOM 498 NH2 ARG A 29 5.270 4.706 -14.516 1.00 0.00 N ATOM 0 H ARG A 29 0.011 5.325 -9.478 1.00 0.00 H new ATOM 0 HA ARG A 29 2.057 3.975 -11.049 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.825 6.490 -9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.414 5.755 -9.523 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.316 5.678 -12.179 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.025 7.289 -11.553 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.248 7.840 -11.607 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.740 6.310 -10.909 1.00 0.00 H new ATOM 0 HE ARG A 29 4.537 6.960 -13.782 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.652 4.337 -11.359 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.217 3.132 -12.520 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.255 5.416 -15.248 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.560 3.753 -14.736 1.00 0.00 H new ATOM 511 N PHE A 30 1.925 3.922 -7.742 1.00 0.00 N ATOM 512 CA PHE A 30 2.357 3.193 -6.562 1.00 0.00 C ATOM 513 C PHE A 30 2.221 1.683 -6.769 1.00 0.00 C ATOM 514 O PHE A 30 3.090 0.916 -6.359 1.00 0.00 O ATOM 515 CB PHE A 30 1.443 3.622 -5.412 1.00 0.00 C ATOM 516 CG PHE A 30 0.846 2.455 -4.623 1.00 0.00 C ATOM 517 CD1 PHE A 30 -0.206 1.759 -5.131 1.00 0.00 C ATOM 518 CD2 PHE A 30 1.367 2.115 -3.413 1.00 0.00 C ATOM 519 CE1 PHE A 30 -0.760 0.676 -4.398 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.813 1.032 -2.681 1.00 0.00 C ATOM 521 CZ PHE A 30 -0.239 0.335 -3.189 1.00 0.00 C ATOM 0 H PHE A 30 1.289 4.698 -7.555 1.00 0.00 H new ATOM 0 HA PHE A 30 3.404 3.411 -6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.008 4.257 -4.730 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.631 4.229 -5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.620 2.030 -6.091 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.202 2.669 -3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.596 0.123 -4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.227 0.761 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.660 -0.489 -2.632 1.00 0.00 H new ATOM 531 N MET A 31 1.123 1.302 -7.406 1.00 0.00 N ATOM 532 CA MET A 31 0.862 -0.102 -7.672 1.00 0.00 C ATOM 533 C MET A 31 1.886 -0.673 -8.655 1.00 0.00 C ATOM 534 O MET A 31 2.356 -1.797 -8.485 1.00 0.00 O ATOM 535 CB MET A 31 -0.545 -0.259 -8.252 1.00 0.00 C ATOM 536 CG MET A 31 -0.689 0.521 -9.560 1.00 0.00 C ATOM 537 SD MET A 31 -0.333 -0.543 -10.948 1.00 0.00 S ATOM 538 CE MET A 31 -1.919 -0.527 -11.767 1.00 0.00 C ATOM 0 H MET A 31 0.404 1.941 -7.745 1.00 0.00 H new ATOM 0 HA MET A 31 0.941 -0.651 -6.734 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.754 -1.314 -8.429 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.281 0.095 -7.530 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.700 0.919 -9.646 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.010 1.374 -9.561 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.046 -1.450 -12.332 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.712 -0.445 -11.023 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.969 0.324 -12.446 1.00 0.00 H new ATOM 548 N GLU A 32 2.202 0.128 -9.663 1.00 0.00 N ATOM 549 CA GLU A 32 3.162 -0.284 -10.673 1.00 0.00 C ATOM 550 C GLU A 32 4.518 -0.578 -10.029 1.00 0.00 C ATOM 551 O GLU A 32 5.313 -1.344 -10.570 1.00 0.00 O ATOM 552 CB GLU A 32 3.293 0.777 -11.768 1.00 0.00 C ATOM 553 CG GLU A 32 3.220 0.141 -13.158 1.00 0.00 C ATOM 554 CD GLU A 32 3.848 1.055 -14.213 1.00 0.00 C ATOM 555 OE1 GLU A 32 3.291 2.120 -14.521 1.00 0.00 O ATOM 556 OE2 GLU A 32 4.955 0.626 -14.717 1.00 0.00 O ATOM 0 H GLU A 32 1.810 1.060 -9.801 1.00 0.00 H new ATOM 0 HA GLU A 32 2.799 -1.199 -11.140 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.499 1.516 -11.660 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.239 1.306 -11.655 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.736 -0.819 -13.150 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.180 -0.058 -13.417 1.00 0.00 H new ATOM 564 N LYS A 33 4.740 0.047 -8.882 1.00 0.00 N ATOM 565 CA LYS A 33 5.986 -0.137 -8.158 1.00 0.00 C ATOM 566 C LYS A 33 5.790 -1.201 -7.076 1.00 0.00 C ATOM 567 O LYS A 33 6.537 -2.177 -7.017 1.00 0.00 O ATOM 568 CB LYS A 33 6.497 1.201 -7.620 1.00 0.00 C ATOM 569 CG LYS A 33 7.991 1.127 -7.296 1.00 0.00 C ATOM 570 CD LYS A 33 8.622 2.521 -7.304 1.00 0.00 C ATOM 571 CE LYS A 33 10.120 2.442 -7.608 1.00 0.00 C ATOM 572 NZ LYS A 33 10.897 3.157 -6.572 1.00 0.00 N ATOM 0 H LYS A 33 4.078 0.682 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 33 6.765 -0.502 -8.828 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.319 1.985 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.940 1.473 -6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.133 0.665 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.494 0.492 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.128 3.144 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.468 3.000 -6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.434 1.399 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.322 2.877 -8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.911 3.094 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.609 4.156 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.718 2.725 -5.643 1.00 0.00 H new ATOM 585 N GLU A 34 4.781 -0.977 -6.248 1.00 0.00 N ATOM 586 CA GLU A 34 4.477 -1.905 -5.171 1.00 0.00 C ATOM 587 C GLU A 34 3.792 -3.156 -5.726 1.00 0.00 C ATOM 588 O GLU A 34 4.424 -4.201 -5.870 1.00 0.00 O ATOM 589 CB GLU A 34 3.613 -1.236 -4.100 1.00 0.00 C ATOM 590 CG GLU A 34 4.397 -0.148 -3.363 1.00 0.00 C ATOM 591 CD GLU A 34 5.700 -0.706 -2.787 1.00 0.00 C ATOM 592 OE1 GLU A 34 5.780 -1.906 -2.485 1.00 0.00 O ATOM 593 OE2 GLU A 34 6.651 0.155 -2.656 1.00 0.00 O ATOM 0 H GLU A 34 4.163 -0.167 -6.300 1.00 0.00 H new ATOM 0 HA GLU A 34 5.413 -2.206 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.727 -0.801 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.266 -1.985 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.619 0.672 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.787 0.264 -2.559 1.00 0.00 H new ATOM 601 N PHE A 35 2.509 -3.007 -6.022 1.00 0.00 N ATOM 602 CA PHE A 35 1.732 -4.112 -6.558 1.00 0.00 C ATOM 603 C PHE A 35 2.511 -4.853 -7.647 1.00 0.00 C ATOM 604 O PHE A 35 2.228 -6.014 -7.936 1.00 0.00 O ATOM 605 CB PHE A 35 0.466 -3.512 -7.171 1.00 0.00 C ATOM 606 CG PHE A 35 -0.017 -4.233 -8.431 1.00 0.00 C ATOM 607 CD1 PHE A 35 0.688 -4.125 -9.589 1.00 0.00 C ATOM 608 CD2 PHE A 35 -1.151 -4.984 -8.393 1.00 0.00 C ATOM 609 CE1 PHE A 35 0.240 -4.794 -10.759 1.00 0.00 C ATOM 610 CE2 PHE A 35 -1.599 -5.653 -9.563 1.00 0.00 C ATOM 611 CZ PHE A 35 -0.894 -5.544 -10.721 1.00 0.00 C ATOM 0 H PHE A 35 1.988 -2.138 -5.901 1.00 0.00 H new ATOM 0 HA PHE A 35 1.502 -4.824 -5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.330 -3.531 -6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.652 -2.466 -7.412 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.589 -3.530 -9.619 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.710 -5.071 -7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.800 -4.707 -11.679 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.500 -6.248 -9.533 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.235 -6.053 -11.610 1.00 0.00 H new ATOM 621 N GLU A 36 3.477 -4.151 -8.220 1.00 0.00 N ATOM 622 CA GLU A 36 4.298 -4.727 -9.271 1.00 0.00 C ATOM 623 C GLU A 36 4.523 -6.218 -9.011 1.00 0.00 C ATOM 624 O GLU A 36 4.031 -7.063 -9.758 1.00 0.00 O ATOM 625 CB GLU A 36 5.631 -3.985 -9.395 1.00 0.00 C ATOM 626 CG GLU A 36 6.167 -4.056 -10.826 1.00 0.00 C ATOM 627 CD GLU A 36 7.674 -3.793 -10.860 1.00 0.00 C ATOM 628 OE1 GLU A 36 8.173 -2.948 -10.102 1.00 0.00 O ATOM 629 OE2 GLU A 36 8.332 -4.503 -11.712 1.00 0.00 O ATOM 0 H GLU A 36 3.710 -3.188 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 36 3.770 -4.618 -10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.500 -2.943 -9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.358 -4.419 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.956 -5.038 -11.249 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.652 -3.324 -11.448 1.00 0.00 H new ATOM 637 N HIS A 37 5.267 -6.496 -7.950 1.00 0.00 N ATOM 638 CA HIS A 37 5.563 -7.870 -7.583 1.00 0.00 C ATOM 639 C HIS A 37 5.553 -8.007 -6.059 1.00 0.00 C ATOM 640 O HIS A 37 6.540 -8.439 -5.465 1.00 0.00 O ATOM 641 CB HIS A 37 6.880 -8.329 -8.211 1.00 0.00 C ATOM 642 CG HIS A 37 6.859 -9.753 -8.710 1.00 0.00 C ATOM 643 ND1 HIS A 37 7.107 -10.089 -10.030 1.00 0.00 N ATOM 644 CD2 HIS A 37 6.618 -10.925 -8.054 1.00 0.00 C ATOM 645 CE1 HIS A 37 7.016 -11.405 -10.151 1.00 0.00 C ATOM 646 NE2 HIS A 37 6.712 -11.921 -8.926 1.00 0.00 N ATOM 0 H HIS A 37 5.673 -5.793 -7.333 1.00 0.00 H new ATOM 0 HA HIS A 37 4.791 -8.530 -7.978 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.124 -7.667 -9.042 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.677 -8.224 -7.475 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.389 -11.025 -7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.158 -11.970 -11.060 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.579 -12.910 -8.715 1.00 0.00 H new ATOM 654 N LEU A 38 4.427 -7.631 -5.470 1.00 0.00 N ATOM 655 CA LEU A 38 4.276 -7.707 -4.027 1.00 0.00 C ATOM 656 C LEU A 38 4.571 -9.134 -3.562 1.00 0.00 C ATOM 657 O LEU A 38 5.089 -9.946 -4.327 1.00 0.00 O ATOM 658 CB LEU A 38 2.897 -7.195 -3.605 1.00 0.00 C ATOM 659 CG LEU A 38 2.721 -5.676 -3.592 1.00 0.00 C ATOM 660 CD1 LEU A 38 1.249 -5.296 -3.419 1.00 0.00 C ATOM 661 CD2 LEU A 38 3.608 -5.030 -2.527 1.00 0.00 C ATOM 0 H LEU A 38 3.611 -7.273 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 38 4.997 -7.055 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.152 -7.621 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.680 -7.575 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 38 3.043 -5.287 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.152 -4.210 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.668 -5.708 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.878 -5.699 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.463 -3.950 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.341 -5.421 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.653 -5.258 -2.736 1.00 0.00 H new ATOM 673 N SER A 39 4.229 -9.397 -2.309 1.00 0.00 N ATOM 674 CA SER A 39 4.451 -10.712 -1.732 1.00 0.00 C ATOM 675 C SER A 39 3.586 -10.888 -0.482 1.00 0.00 C ATOM 676 O SER A 39 3.172 -9.907 0.133 1.00 0.00 O ATOM 677 CB SER A 39 5.927 -10.922 -1.391 1.00 0.00 C ATOM 678 OG SER A 39 6.743 -9.856 -1.870 1.00 0.00 O ATOM 0 H SER A 39 3.800 -8.721 -1.677 1.00 0.00 H new ATOM 0 HA SER A 39 4.167 -11.462 -2.470 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.041 -11.008 -0.310 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.269 -11.862 -1.823 1.00 0.00 H new ATOM 0 HG SER A 39 6.540 -9.038 -1.369 1.00 0.00 H new ATOM 684 N ASP A 40 3.340 -12.146 -0.145 1.00 0.00 N ATOM 685 CA ASP A 40 2.532 -12.463 1.021 1.00 0.00 C ATOM 686 C ASP A 40 2.875 -11.493 2.153 1.00 0.00 C ATOM 687 O ASP A 40 2.026 -10.717 2.590 1.00 0.00 O ATOM 688 CB ASP A 40 2.812 -13.884 1.514 1.00 0.00 C ATOM 689 CG ASP A 40 1.606 -14.607 2.118 1.00 0.00 C ATOM 690 OD1 ASP A 40 0.652 -13.973 2.592 1.00 0.00 O ATOM 691 OD2 ASP A 40 1.673 -15.895 2.089 1.00 0.00 O ATOM 0 H ASP A 40 3.686 -12.957 -0.658 1.00 0.00 H new ATOM 0 HA ASP A 40 1.483 -12.380 0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.190 -14.474 0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.605 -13.844 2.261 1.00 0.00 H new ATOM 697 N LYS A 41 4.122 -11.568 2.596 1.00 0.00 N ATOM 698 CA LYS A 41 4.588 -10.706 3.669 1.00 0.00 C ATOM 699 C LYS A 41 4.098 -9.278 3.420 1.00 0.00 C ATOM 700 O LYS A 41 3.560 -8.636 4.321 1.00 0.00 O ATOM 701 CB LYS A 41 6.106 -10.817 3.825 1.00 0.00 C ATOM 702 CG LYS A 41 6.587 -10.058 5.063 1.00 0.00 C ATOM 703 CD LYS A 41 8.114 -10.076 5.158 1.00 0.00 C ATOM 704 CE LYS A 41 8.570 -10.372 6.588 1.00 0.00 C ATOM 705 NZ LYS A 41 9.400 -9.262 7.107 1.00 0.00 N ATOM 0 H LYS A 41 4.824 -12.212 2.231 1.00 0.00 H new ATOM 0 HA LYS A 41 4.169 -11.025 4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.391 -11.866 3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.596 -10.419 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.234 -9.028 5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.158 -10.507 5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.515 -10.830 4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.513 -9.114 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.701 -10.516 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.140 -11.301 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.701 -9.479 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.238 -9.143 6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.845 -8.383 7.105 1.00 0.00 H new ATOM 718 N GLU A 42 4.300 -8.823 2.192 1.00 0.00 N ATOM 719 CA GLU A 42 3.886 -7.483 1.813 1.00 0.00 C ATOM 720 C GLU A 42 2.379 -7.316 2.016 1.00 0.00 C ATOM 721 O GLU A 42 1.940 -6.409 2.723 1.00 0.00 O ATOM 722 CB GLU A 42 4.282 -7.175 0.368 1.00 0.00 C ATOM 723 CG GLU A 42 5.294 -6.029 0.309 1.00 0.00 C ATOM 724 CD GLU A 42 6.709 -6.559 0.065 1.00 0.00 C ATOM 725 OE1 GLU A 42 7.487 -6.710 1.018 1.00 0.00 O ATOM 726 OE2 GLU A 42 6.989 -6.818 -1.167 1.00 0.00 O ATOM 0 H GLU A 42 4.745 -9.359 1.447 1.00 0.00 H new ATOM 0 HA GLU A 42 4.401 -6.769 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.708 -8.066 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.395 -6.911 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.019 -5.337 -0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.268 -5.468 1.243 1.00 0.00 H new ATOM 734 N LEU A 43 1.627 -8.205 1.383 1.00 0.00 N ATOM 735 CA LEU A 43 0.178 -8.167 1.486 1.00 0.00 C ATOM 736 C LEU A 43 -0.220 -7.875 2.934 1.00 0.00 C ATOM 737 O LEU A 43 -1.013 -6.971 3.193 1.00 0.00 O ATOM 738 CB LEU A 43 -0.432 -9.455 0.929 1.00 0.00 C ATOM 739 CG LEU A 43 0.106 -9.921 -0.425 1.00 0.00 C ATOM 740 CD1 LEU A 43 -0.862 -10.900 -1.093 1.00 0.00 C ATOM 741 CD2 LEU A 43 0.428 -8.728 -1.328 1.00 0.00 C ATOM 0 H LEU A 43 1.994 -8.955 0.797 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.226 -7.359 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.273 -10.252 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.509 -9.315 0.841 1.00 0.00 H new ATOM 0 HG LEU A 43 1.040 -10.457 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.455 -11.215 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.998 -11.772 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.824 -10.411 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.809 -9.088 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.477 -8.143 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.182 -8.103 -0.850 1.00 0.00 H new ATOM 753 N SER A 44 0.350 -8.656 3.839 1.00 0.00 N ATOM 754 CA SER A 44 0.065 -8.492 5.255 1.00 0.00 C ATOM 755 C SER A 44 0.080 -7.007 5.623 1.00 0.00 C ATOM 756 O SER A 44 -0.922 -6.471 6.094 1.00 0.00 O ATOM 757 CB SER A 44 1.072 -9.262 6.112 1.00 0.00 C ATOM 758 OG SER A 44 0.477 -10.386 6.755 1.00 0.00 O ATOM 0 H SER A 44 1.008 -9.404 3.620 1.00 0.00 H new ATOM 0 HA SER A 44 -0.926 -8.899 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.899 -9.598 5.486 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.493 -8.595 6.864 1.00 0.00 H new ATOM 0 HG SER A 44 1.153 -10.852 7.291 1.00 0.00 H new ATOM 764 N GLU A 45 1.227 -6.385 5.394 1.00 0.00 N ATOM 765 CA GLU A 45 1.385 -4.973 5.696 1.00 0.00 C ATOM 766 C GLU A 45 0.525 -4.129 4.753 1.00 0.00 C ATOM 767 O GLU A 45 -0.318 -3.354 5.202 1.00 0.00 O ATOM 768 CB GLU A 45 2.855 -4.557 5.617 1.00 0.00 C ATOM 769 CG GLU A 45 3.734 -5.489 6.453 1.00 0.00 C ATOM 770 CD GLU A 45 4.583 -6.393 5.556 1.00 0.00 C ATOM 771 OE1 GLU A 45 4.912 -7.522 5.949 1.00 0.00 O ATOM 772 OE2 GLU A 45 4.899 -5.885 4.414 1.00 0.00 O ATOM 0 H GLU A 45 2.056 -6.833 5.003 1.00 0.00 H new ATOM 0 HA GLU A 45 1.047 -4.800 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.186 -4.573 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.966 -3.532 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.383 -4.899 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.107 -6.100 7.103 1.00 0.00 H new ATOM 780 N PHE A 46 0.768 -4.308 3.463 1.00 0.00 N ATOM 781 CA PHE A 46 0.027 -3.572 2.452 1.00 0.00 C ATOM 782 C PHE A 46 -1.459 -3.497 2.809 1.00 0.00 C ATOM 783 O PHE A 46 -2.062 -2.426 2.750 1.00 0.00 O ATOM 784 CB PHE A 46 0.185 -4.337 1.136 1.00 0.00 C ATOM 785 CG PHE A 46 0.548 -3.452 -0.058 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.593 -2.585 0.031 1.00 0.00 C ATOM 787 CD2 PHE A 46 -0.174 -3.531 -1.207 1.00 0.00 C ATOM 788 CE1 PHE A 46 1.930 -1.764 -1.077 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.163 -2.709 -2.315 1.00 0.00 C ATOM 790 CZ PHE A 46 1.208 -1.843 -2.227 1.00 0.00 C ATOM 0 H PHE A 46 1.468 -4.952 3.094 1.00 0.00 H new ATOM 0 HA PHE A 46 0.408 -2.553 2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.956 -5.097 1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.746 -4.860 0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.166 -2.521 0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.004 -4.219 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.760 -1.076 -1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.411 -2.772 -3.228 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.464 -1.218 -3.070 1.00 0.00 H new ATOM 800 N SER A 47 -2.007 -4.648 3.171 1.00 0.00 N ATOM 801 CA SER A 47 -3.411 -4.726 3.537 1.00 0.00 C ATOM 802 C SER A 47 -3.673 -3.882 4.786 1.00 0.00 C ATOM 803 O SER A 47 -4.726 -3.258 4.908 1.00 0.00 O ATOM 804 CB SER A 47 -3.838 -6.175 3.776 1.00 0.00 C ATOM 805 OG SER A 47 -5.201 -6.395 3.426 1.00 0.00 O ATOM 0 H SER A 47 -1.504 -5.534 3.219 1.00 0.00 H new ATOM 0 HA SER A 47 -4.003 -4.333 2.710 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.202 -6.841 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.688 -6.429 4.825 1.00 0.00 H new ATOM 0 HG SER A 47 -5.434 -7.332 3.592 1.00 0.00 H new ATOM 811 N GLU A 48 -2.698 -3.891 5.683 1.00 0.00 N ATOM 812 CA GLU A 48 -2.811 -3.134 6.918 1.00 0.00 C ATOM 813 C GLU A 48 -2.870 -1.635 6.619 1.00 0.00 C ATOM 814 O GLU A 48 -3.675 -0.912 7.204 1.00 0.00 O ATOM 815 CB GLU A 48 -1.656 -3.459 7.868 1.00 0.00 C ATOM 816 CG GLU A 48 -1.793 -4.873 8.434 1.00 0.00 C ATOM 817 CD GLU A 48 -2.728 -4.891 9.645 1.00 0.00 C ATOM 818 OE1 GLU A 48 -2.774 -3.915 10.407 1.00 0.00 O ATOM 819 OE2 GLU A 48 -3.425 -5.968 9.779 1.00 0.00 O ATOM 0 H GLU A 48 -1.826 -4.410 5.579 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.738 -3.422 7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.708 -3.366 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.638 -2.737 8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.177 -5.541 7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.812 -5.250 8.722 1.00 0.00 H new ATOM 827 N ILE A 49 -2.006 -1.212 5.708 1.00 0.00 N ATOM 828 CA ILE A 49 -1.950 0.189 5.324 1.00 0.00 C ATOM 829 C ILE A 49 -3.139 0.513 4.417 1.00 0.00 C ATOM 830 O ILE A 49 -3.781 1.549 4.577 1.00 0.00 O ATOM 831 CB ILE A 49 -0.592 0.519 4.699 1.00 0.00 C ATOM 832 CG1 ILE A 49 0.192 1.496 5.577 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.758 1.038 3.270 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.669 1.526 5.180 1.00 0.00 C ATOM 0 H ILE A 49 -1.339 -1.814 5.225 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.035 0.829 6.203 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.009 -0.400 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.233 2.495 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.099 1.205 6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.222 1.265 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.247 0.278 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.367 1.942 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.203 2.228 5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.097 0.531 5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.760 1.841 4.140 1.00 0.00 H new ATOM 846 N LEU A 50 -3.395 -0.394 3.485 1.00 0.00 N ATOM 847 CA LEU A 50 -4.496 -0.217 2.553 1.00 0.00 C ATOM 848 C LEU A 50 -5.811 -0.145 3.331 1.00 0.00 C ATOM 849 O LEU A 50 -6.719 0.594 2.954 1.00 0.00 O ATOM 850 CB LEU A 50 -4.473 -1.312 1.484 1.00 0.00 C ATOM 851 CG LEU A 50 -3.358 -1.208 0.441 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.391 -2.400 -0.517 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.424 0.127 -0.302 1.00 0.00 C ATOM 0 H LEU A 50 -2.860 -1.252 3.355 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.392 0.725 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.388 -2.277 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.431 -1.305 0.964 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.400 -1.239 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.589 -2.302 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.257 -3.323 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.351 -2.426 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.621 0.174 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.385 0.214 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.314 0.945 0.410 1.00 0.00 H new ATOM 865 N GLU A 51 -5.871 -0.922 4.402 1.00 0.00 N ATOM 866 CA GLU A 51 -7.060 -0.955 5.237 1.00 0.00 C ATOM 867 C GLU A 51 -7.653 0.449 5.372 1.00 0.00 C ATOM 868 O GLU A 51 -8.870 0.608 5.460 1.00 0.00 O ATOM 869 CB GLU A 51 -6.750 -1.554 6.610 1.00 0.00 C ATOM 870 CG GLU A 51 -6.715 -3.082 6.546 1.00 0.00 C ATOM 871 CD GLU A 51 -7.806 -3.693 7.428 1.00 0.00 C ATOM 872 OE1 GLU A 51 -7.745 -3.575 8.660 1.00 0.00 O ATOM 873 OE2 GLU A 51 -8.742 -4.308 6.788 1.00 0.00 O ATOM 0 H GLU A 51 -5.116 -1.534 4.711 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.799 -1.596 4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.790 -1.179 6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.504 -1.234 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.850 -3.410 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.738 -3.441 6.869 1.00 0.00 H new ATOM 881 N PHE A 52 -6.765 1.433 5.385 1.00 0.00 N ATOM 882 CA PHE A 52 -7.185 2.819 5.508 1.00 0.00 C ATOM 883 C PHE A 52 -7.708 3.354 4.173 1.00 0.00 C ATOM 884 O PHE A 52 -7.303 2.885 3.111 1.00 0.00 O ATOM 885 CB PHE A 52 -5.952 3.625 5.920 1.00 0.00 C ATOM 886 CG PHE A 52 -5.909 3.981 7.407 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.853 4.804 7.937 1.00 0.00 C ATOM 888 CD2 PHE A 52 -4.927 3.474 8.199 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.813 5.134 9.317 1.00 0.00 C ATOM 890 CE2 PHE A 52 -4.887 3.804 9.580 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.831 4.627 10.110 1.00 0.00 C ATOM 0 H PHE A 52 -5.757 1.298 5.312 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.988 2.901 6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.058 3.056 5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.920 4.545 5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.633 5.207 7.308 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.177 2.820 7.778 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.563 5.788 9.738 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.107 3.401 10.209 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.801 4.878 11.160 1.00 0.00 H new ATOM 901 N GLN A 53 -8.600 4.329 4.272 1.00 0.00 N ATOM 902 CA GLN A 53 -9.182 4.933 3.085 1.00 0.00 C ATOM 903 C GLN A 53 -8.206 5.935 2.467 1.00 0.00 C ATOM 904 O GLN A 53 -7.237 6.340 3.107 1.00 0.00 O ATOM 905 CB GLN A 53 -10.520 5.599 3.410 1.00 0.00 C ATOM 906 CG GLN A 53 -11.282 4.810 4.476 1.00 0.00 C ATOM 907 CD GLN A 53 -12.748 4.625 4.079 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.073 4.038 3.060 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.612 5.158 4.938 1.00 0.00 N ATOM 0 H GLN A 53 -8.934 4.715 5.155 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.373 4.146 2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.348 6.617 3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.124 5.671 2.505 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.814 3.836 4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.223 5.332 5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.272 5.636 5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.614 5.089 4.762 1.00 0.00 H new ATOM 918 N ASP A 54 -8.495 6.308 1.229 1.00 0.00 N ATOM 919 CA ASP A 54 -7.655 7.255 0.516 1.00 0.00 C ATOM 920 C ASP A 54 -7.504 8.527 1.354 1.00 0.00 C ATOM 921 O ASP A 54 -6.389 8.927 1.687 1.00 0.00 O ATOM 922 CB ASP A 54 -8.279 7.645 -0.825 1.00 0.00 C ATOM 923 CG ASP A 54 -8.598 6.472 -1.755 1.00 0.00 C ATOM 924 OD1 ASP A 54 -8.878 6.660 -2.948 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.550 5.308 -1.200 1.00 0.00 O ATOM 0 H ASP A 54 -9.300 5.971 0.701 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.689 6.782 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.199 8.198 -0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.600 8.324 -1.341 1.00 0.00 H new ATOM 931 N GLN A 55 -8.642 9.127 1.672 1.00 0.00 N ATOM 932 CA GLN A 55 -8.651 10.344 2.464 1.00 0.00 C ATOM 933 C GLN A 55 -7.663 10.227 3.627 1.00 0.00 C ATOM 934 O GLN A 55 -6.781 11.070 3.784 1.00 0.00 O ATOM 935 CB GLN A 55 -10.060 10.659 2.971 1.00 0.00 C ATOM 936 CG GLN A 55 -10.304 12.169 3.009 1.00 0.00 C ATOM 937 CD GLN A 55 -10.151 12.713 4.431 1.00 0.00 C ATOM 938 OE1 GLN A 55 -9.740 12.020 5.348 1.00 0.00 O ATOM 939 NE2 GLN A 55 -10.502 13.989 4.563 1.00 0.00 N ATOM 0 H GLN A 55 -9.565 8.792 1.395 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.337 11.171 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.798 10.184 2.324 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.194 10.240 3.968 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.600 12.672 2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.305 12.389 2.637 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.838 14.512 3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.435 14.445 5.473 1.00 0.00 H new ATOM 948 N GLU A 56 -7.845 9.176 4.413 1.00 0.00 N ATOM 949 CA GLU A 56 -6.981 8.938 5.556 1.00 0.00 C ATOM 950 C GLU A 56 -5.552 8.650 5.092 1.00 0.00 C ATOM 951 O GLU A 56 -4.591 9.120 5.699 1.00 0.00 O ATOM 952 CB GLU A 56 -7.518 7.795 6.420 1.00 0.00 C ATOM 953 CG GLU A 56 -8.898 8.136 6.985 1.00 0.00 C ATOM 954 CD GLU A 56 -8.778 8.908 8.300 1.00 0.00 C ATOM 955 OE1 GLU A 56 -8.812 8.301 9.381 1.00 0.00 O ATOM 956 OE2 GLU A 56 -8.643 10.184 8.173 1.00 0.00 O ATOM 0 H GLU A 56 -8.578 8.480 4.280 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.967 9.839 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.580 6.883 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.825 7.596 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.455 8.730 6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.465 7.219 7.148 1.00 0.00 H new ATOM 964 N LEU A 57 -5.457 7.878 4.019 1.00 0.00 N ATOM 965 CA LEU A 57 -4.162 7.522 3.466 1.00 0.00 C ATOM 966 C LEU A 57 -3.385 8.798 3.134 1.00 0.00 C ATOM 967 O LEU A 57 -2.317 9.041 3.693 1.00 0.00 O ATOM 968 CB LEU A 57 -4.330 6.577 2.274 1.00 0.00 C ATOM 969 CG LEU A 57 -3.045 6.189 1.539 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.164 5.293 2.411 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.359 5.544 0.188 1.00 0.00 C ATOM 0 H LEU A 57 -6.256 7.489 3.518 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.573 6.972 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.814 5.665 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.007 7.043 1.559 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.479 7.099 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.257 5.032 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.897 5.824 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.709 4.384 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.428 5.278 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.957 4.646 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.916 6.248 -0.431 1.00 0.00 H new ATOM 983 N LEU A 58 -3.952 9.579 2.227 1.00 0.00 N ATOM 984 CA LEU A 58 -3.326 10.824 1.815 1.00 0.00 C ATOM 985 C LEU A 58 -2.897 11.609 3.055 1.00 0.00 C ATOM 986 O LEU A 58 -1.723 11.944 3.206 1.00 0.00 O ATOM 987 CB LEU A 58 -4.253 11.606 0.882 1.00 0.00 C ATOM 988 CG LEU A 58 -3.568 12.407 -0.227 1.00 0.00 C ATOM 989 CD1 LEU A 58 -2.716 11.497 -1.114 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.591 13.205 -1.039 1.00 0.00 C ATOM 0 H LEU A 58 -4.838 9.374 1.766 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.424 10.624 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.947 10.904 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.848 12.293 1.485 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.894 13.127 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.240 12.091 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.950 11.013 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.350 10.738 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.078 13.765 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.308 12.521 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.117 13.898 -0.382 1.00 0.00 H new ATOM 1002 N ALA A 59 -3.871 11.879 3.912 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.608 12.619 5.135 1.00 0.00 C ATOM 1004 C ALA A 59 -2.434 11.973 5.874 1.00 0.00 C ATOM 1005 O ALA A 59 -1.518 12.665 6.315 1.00 0.00 O ATOM 1006 CB ALA A 59 -4.878 12.665 5.986 1.00 0.00 C ATOM 0 H ALA A 59 -4.843 11.599 3.784 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.329 13.648 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.681 13.220 6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.673 13.158 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.186 11.650 6.235 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.499 10.655 5.985 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.453 9.908 6.663 1.00 0.00 C ATOM 1014 C LEU A 60 -0.090 10.341 6.120 1.00 0.00 C ATOM 1015 O LEU A 60 0.754 10.829 6.869 1.00 0.00 O ATOM 1016 CB LEU A 60 -1.710 8.404 6.552 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.288 7.729 7.798 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -2.778 6.315 7.478 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.276 7.738 8.945 1.00 0.00 C ATOM 0 H LEU A 60 -3.260 10.084 5.617 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.457 10.130 7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.393 8.233 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.770 7.912 6.299 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.154 8.303 8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.184 5.858 8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.555 6.363 6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.945 5.716 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.712 7.253 9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.377 7.201 8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.017 8.767 9.194 1.00 0.00 H new ATOM 1031 N ILE A 61 0.082 10.145 4.821 1.00 0.00 N ATOM 1032 CA ILE A 61 1.329 10.509 4.168 1.00 0.00 C ATOM 1033 C ILE A 61 1.633 11.983 4.444 1.00 0.00 C ATOM 1034 O ILE A 61 2.761 12.335 4.785 1.00 0.00 O ATOM 1035 CB ILE A 61 1.276 10.160 2.679 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.293 8.645 2.470 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.401 10.858 1.912 1.00 0.00 C ATOM 1038 CD1 ILE A 61 0.890 8.284 1.039 1.00 0.00 C ATOM 0 H ILE A 61 -0.621 9.739 4.203 1.00 0.00 H new ATOM 0 HA ILE A 61 2.157 9.930 4.578 1.00 0.00 H new ATOM 0 HB ILE A 61 0.334 10.530 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.290 8.257 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.611 8.169 3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.341 10.593 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.301 11.938 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.365 10.541 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.910 7.201 0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.116 8.653 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.589 8.741 0.338 1.00 0.00 H new ATOM 1050 N ASN A 62 0.606 12.805 4.286 1.00 0.00 N ATOM 1051 CA ASN A 62 0.749 14.233 4.514 1.00 0.00 C ATOM 1052 C ASN A 62 1.183 14.473 5.962 1.00 0.00 C ATOM 1053 O ASN A 62 1.871 15.450 6.253 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.578 14.962 4.291 1.00 0.00 C ATOM 1055 CG ASN A 62 -1.147 14.653 2.905 1.00 0.00 C ATOM 1056 OD1 ASN A 62 -2.284 14.240 2.750 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -0.295 14.876 1.908 1.00 0.00 N ATOM 0 H ASN A 62 -0.328 12.510 4.003 1.00 0.00 H new ATOM 0 HA ASN A 62 1.492 14.614 3.813 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.294 14.664 5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.429 16.037 4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.580 14.701 0.945 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.643 15.222 2.107 1.00 0.00 H new ATOM 1064 N GLY A 63 0.762 13.566 6.830 1.00 0.00 N ATOM 1065 CA GLY A 63 1.099 13.667 8.240 1.00 0.00 C ATOM 1066 C GLY A 63 -0.122 14.074 9.067 1.00 0.00 C ATOM 1067 O GLY A 63 0.016 14.692 10.122 1.00 0.00 O ATOM 0 H GLY A 63 0.191 12.758 6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.481 12.710 8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.895 14.399 8.376 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.290 13.712 8.558 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.534 14.032 9.236 1.00 0.00 C ATOM 1073 C HIS A 64 -2.881 12.917 10.225 1.00 0.00 C ATOM 1074 O HIS A 64 -2.524 12.992 11.400 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.652 14.296 8.225 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.096 15.738 8.163 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -4.922 16.310 9.115 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -3.819 16.718 7.256 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -5.128 17.576 8.784 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -4.443 17.827 7.631 1.00 0.00 N ATOM 0 H HIS A 64 -1.401 13.200 7.683 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.414 14.953 9.807 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.314 13.988 7.236 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.510 13.673 8.477 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.197 16.610 6.380 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.732 18.285 9.331 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.415 18.720 7.139 1.00 0.00 H new ATOM 1088 N SER A 65 -3.573 11.910 9.714 1.00 0.00 N ATOM 1089 CA SER A 65 -3.972 10.782 10.537 1.00 0.00 C ATOM 1090 C SER A 65 -2.736 10.106 11.134 1.00 0.00 C ATOM 1091 O SER A 65 -1.607 10.477 10.815 1.00 0.00 O ATOM 1092 CB SER A 65 -4.791 9.772 9.730 1.00 0.00 C ATOM 1093 OG SER A 65 -4.744 8.468 10.301 1.00 0.00 O ATOM 0 H SER A 65 -3.868 11.852 8.739 1.00 0.00 H new ATOM 0 HA SER A 65 -4.601 11.155 11.345 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.827 10.107 9.675 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.414 9.734 8.708 1.00 0.00 H new ATOM 0 HG SER A 65 -5.280 7.853 9.758 1.00 0.00 H new ATOM 1099 N GLU A 66 -2.991 9.128 11.990 1.00 0.00 N ATOM 1100 CA GLU A 66 -1.913 8.397 12.634 1.00 0.00 C ATOM 1101 C GLU A 66 -2.022 6.904 12.321 1.00 0.00 C ATOM 1102 O GLU A 66 -3.016 6.456 11.751 1.00 0.00 O ATOM 1103 CB GLU A 66 -1.910 8.642 14.145 1.00 0.00 C ATOM 1104 CG GLU A 66 -1.032 9.842 14.504 1.00 0.00 C ATOM 1105 CD GLU A 66 -1.678 11.152 14.047 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -1.073 11.904 13.270 1.00 0.00 O ATOM 1107 OE2 GLU A 66 -2.854 11.376 14.529 1.00 0.00 O ATOM 0 H GLU A 66 -3.929 8.824 12.253 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.966 8.763 12.238 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.929 8.816 14.491 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.546 7.753 14.660 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.870 9.869 15.582 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.053 9.733 14.037 1.00 0.00 H new ATOM 1115 N THR A 67 -0.987 6.173 12.708 1.00 0.00 N ATOM 1116 CA THR A 67 -0.954 4.739 12.476 1.00 0.00 C ATOM 1117 C THR A 67 -0.847 3.986 13.804 1.00 0.00 C ATOM 1118 O THR A 67 0.106 4.180 14.557 1.00 0.00 O ATOM 1119 CB THR A 67 0.199 4.442 11.515 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.174 3.215 10.894 1.00 0.00 O ATOM 1121 CG2 THR A 67 1.500 4.108 12.246 1.00 0.00 C ATOM 0 H THR A 67 -0.164 6.547 13.181 1.00 0.00 H new ATOM 0 HA THR A 67 -1.879 4.392 12.015 1.00 0.00 H new ATOM 0 HB THR A 67 0.359 5.302 10.864 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.859 3.387 10.215 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.285 3.906 11.517 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.793 4.952 12.871 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.350 3.228 12.872 1.00 0.00 H new ATOM 1129 N ASP A 68 -1.839 3.143 14.050 1.00 0.00 N ATOM 1130 CA ASP A 68 -1.869 2.360 15.274 1.00 0.00 C ATOM 1131 C ASP A 68 -1.164 1.023 15.036 1.00 0.00 C ATOM 1132 O ASP A 68 -1.385 0.061 15.771 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.307 2.067 15.705 1.00 0.00 C ATOM 1134 CG ASP A 68 -3.728 2.707 17.029 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -3.878 3.935 17.126 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -3.908 1.880 18.002 1.00 0.00 O ATOM 0 H ASP A 68 -2.628 2.985 13.423 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.369 2.934 16.054 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.982 2.411 14.922 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.434 0.987 15.784 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.332 1.004 14.006 1.00 0.00 N ATOM 1143 CA LYS A 69 0.406 -0.200 13.661 1.00 0.00 C ATOM 1144 C LYS A 69 1.829 0.181 13.247 1.00 0.00 C ATOM 1145 O LYS A 69 2.023 0.901 12.268 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.348 -1.006 12.602 1.00 0.00 C ATOM 1147 CG LYS A 69 -1.678 -1.525 13.153 1.00 0.00 C ATOM 1148 CD LYS A 69 -1.490 -2.867 13.864 1.00 0.00 C ATOM 1149 CE LYS A 69 -2.500 -3.031 15.001 1.00 0.00 C ATOM 1150 NZ LYS A 69 -2.607 -4.453 15.399 1.00 0.00 N ATOM 0 H LYS A 69 -0.152 1.803 13.398 1.00 0.00 H new ATOM 0 HA LYS A 69 0.490 -0.857 14.527 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.531 -0.382 11.727 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.266 -1.845 12.273 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.097 -0.797 13.848 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.394 -1.638 12.339 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.607 -3.681 13.149 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.477 -2.934 14.260 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.193 -2.430 15.857 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.475 -2.661 14.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.297 -4.546 16.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.921 -5.019 14.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.679 -4.794 15.721 1.00 0.00 H new ATOM 1163 N GLY A 70 2.788 -0.320 14.012 1.00 0.00 N ATOM 1164 CA GLY A 70 4.187 -0.041 13.736 1.00 0.00 C ATOM 1165 C GLY A 70 4.653 -0.769 12.473 1.00 0.00 C ATOM 1166 O GLY A 70 5.753 -0.524 11.982 1.00 0.00 O ATOM 0 H GLY A 70 2.624 -0.917 14.822 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.330 1.033 13.615 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.797 -0.350 14.584 1.00 0.00 H new ATOM 1170 N HIS A 71 3.791 -1.649 11.984 1.00 0.00 N ATOM 1171 CA HIS A 71 4.100 -2.413 10.788 1.00 0.00 C ATOM 1172 C HIS A 71 3.869 -1.545 9.550 1.00 0.00 C ATOM 1173 O HIS A 71 4.127 -1.976 8.427 1.00 0.00 O ATOM 1174 CB HIS A 71 3.300 -3.717 10.755 1.00 0.00 C ATOM 1175 CG HIS A 71 3.404 -4.533 12.022 1.00 0.00 C ATOM 1176 ND1 HIS A 71 2.355 -5.291 12.513 1.00 0.00 N ATOM 1177 CD2 HIS A 71 4.441 -4.702 12.891 1.00 0.00 C ATOM 1178 CE1 HIS A 71 2.755 -5.885 13.628 1.00 0.00 C ATOM 1179 NE2 HIS A 71 4.048 -5.518 13.861 1.00 0.00 N ATOM 0 H HIS A 71 2.879 -1.849 12.395 1.00 0.00 H new ATOM 0 HA HIS A 71 5.152 -2.699 10.797 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.251 -3.484 10.570 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.645 -4.322 9.916 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.417 -4.248 12.805 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.161 -6.544 14.244 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.619 -5.821 14.650 1.00 0.00 H new ATOM 1187 N LEU A 72 3.385 -0.336 9.796 1.00 0.00 N ATOM 1188 CA LEU A 72 3.116 0.597 8.715 1.00 0.00 C ATOM 1189 C LEU A 72 4.201 1.675 8.697 1.00 0.00 C ATOM 1190 O LEU A 72 4.628 2.112 7.629 1.00 0.00 O ATOM 1191 CB LEU A 72 1.696 1.155 8.830 1.00 0.00 C ATOM 1192 CG LEU A 72 0.590 0.129 9.082 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -0.733 0.819 9.420 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.450 -0.829 7.897 1.00 0.00 C ATOM 0 H LEU A 72 3.172 0.019 10.728 1.00 0.00 H new ATOM 0 HA LEU A 72 3.156 0.087 7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.678 1.885 9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.463 1.693 7.911 1.00 0.00 H new ATOM 0 HG LEU A 72 0.871 -0.469 9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.502 0.066 9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.608 1.425 10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.033 1.458 8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.343 -1.548 8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.203 -0.263 6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.390 -1.359 7.745 1.00 0.00 H new ATOM 1206 N ILE A 73 4.616 2.073 9.890 1.00 0.00 N ATOM 1207 CA ILE A 73 5.643 3.092 10.025 1.00 0.00 C ATOM 1208 C ILE A 73 6.664 2.932 8.896 1.00 0.00 C ATOM 1209 O ILE A 73 6.975 3.894 8.195 1.00 0.00 O ATOM 1210 CB ILE A 73 6.260 3.049 11.424 1.00 0.00 C ATOM 1211 CG1 ILE A 73 5.552 4.025 12.366 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.768 3.301 11.365 1.00 0.00 C ATOM 1213 CD1 ILE A 73 6.482 4.465 13.499 1.00 0.00 C ATOM 0 H ILE A 73 4.259 1.708 10.773 1.00 0.00 H new ATOM 0 HA ILE A 73 5.209 4.087 9.925 1.00 0.00 H new ATOM 0 HB ILE A 73 6.116 2.048 11.831 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.217 4.898 11.806 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.663 3.553 12.783 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.183 3.265 12.372 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.241 2.535 10.750 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.956 4.283 10.930 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.955 5.158 14.154 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.796 3.592 14.072 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.359 4.958 13.079 1.00 0.00 H new ATOM 1225 N PRO A 74 7.170 1.678 8.752 1.00 0.00 N ATOM 1226 CA PRO A 74 8.149 1.380 7.721 1.00 0.00 C ATOM 1227 C PRO A 74 7.490 1.310 6.343 1.00 0.00 C ATOM 1228 O PRO A 74 7.855 2.058 5.437 1.00 0.00 O ATOM 1229 CB PRO A 74 8.780 0.064 8.146 1.00 0.00 C ATOM 1230 CG PRO A 74 7.815 -0.558 9.142 1.00 0.00 C ATOM 1231 CD PRO A 74 6.824 0.515 9.564 1.00 0.00 C ATOM 0 HA PRO A 74 8.908 2.157 7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.932 -0.591 7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.758 0.228 8.599 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.294 -1.403 8.692 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.355 -0.941 10.008 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.797 0.198 9.385 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.908 0.736 10.628 1.00 0.00 H new ATOM 1239 N MET A 75 6.530 0.404 6.227 1.00 0.00 N ATOM 1240 CA MET A 75 5.817 0.226 4.974 1.00 0.00 C ATOM 1241 C MET A 75 5.367 1.572 4.402 1.00 0.00 C ATOM 1242 O MET A 75 5.235 1.722 3.189 1.00 0.00 O ATOM 1243 CB MET A 75 4.594 -0.665 5.204 1.00 0.00 C ATOM 1244 CG MET A 75 4.872 -2.103 4.763 1.00 0.00 C ATOM 1245 SD MET A 75 5.740 -2.980 6.053 1.00 0.00 S ATOM 1246 CE MET A 75 7.325 -3.204 5.263 1.00 0.00 C ATOM 0 H MET A 75 6.230 -0.214 6.980 1.00 0.00 H new ATOM 0 HA MET A 75 6.491 -0.244 4.258 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.323 -0.651 6.260 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.742 -0.269 4.651 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.934 -2.610 4.535 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.465 -2.103 3.849 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.995 -3.739 5.936 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.196 -3.779 4.346 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.753 -2.231 5.024 1.00 0.00 H new ATOM 1256 N LEU A 76 5.145 2.517 5.304 1.00 0.00 N ATOM 1257 CA LEU A 76 4.714 3.846 4.905 1.00 0.00 C ATOM 1258 C LEU A 76 5.851 4.543 4.156 1.00 0.00 C ATOM 1259 O LEU A 76 5.620 5.197 3.140 1.00 0.00 O ATOM 1260 CB LEU A 76 4.204 4.630 6.116 1.00 0.00 C ATOM 1261 CG LEU A 76 2.684 4.713 6.270 1.00 0.00 C ATOM 1262 CD1 LEU A 76 2.302 5.506 7.521 1.00 0.00 C ATOM 1263 CD2 LEU A 76 2.036 5.286 5.008 1.00 0.00 C ATOM 0 H LEU A 76 5.256 2.389 6.310 1.00 0.00 H new ATOM 0 HA LEU A 76 3.871 3.782 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.616 4.176 7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.599 5.644 6.060 1.00 0.00 H new ATOM 0 HG LEU A 76 2.298 3.702 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.216 5.550 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.716 5.017 8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.701 6.518 7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.956 5.334 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.424 6.288 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.266 4.645 4.157 1.00 0.00 H new ATOM 1275 N GLU A 77 7.054 4.379 4.686 1.00 0.00 N ATOM 1276 CA GLU A 77 8.228 4.985 4.080 1.00 0.00 C ATOM 1277 C GLU A 77 8.392 4.498 2.639 1.00 0.00 C ATOM 1278 O GLU A 77 8.483 5.304 1.714 1.00 0.00 O ATOM 1279 CB GLU A 77 9.483 4.692 4.904 1.00 0.00 C ATOM 1280 CG GLU A 77 9.872 5.900 5.759 1.00 0.00 C ATOM 1281 CD GLU A 77 10.723 6.888 4.958 1.00 0.00 C ATOM 1282 OE1 GLU A 77 11.429 6.482 4.023 1.00 0.00 O ATOM 1283 OE2 GLU A 77 10.633 8.118 5.337 1.00 0.00 O ATOM 0 H GLU A 77 7.241 3.835 5.528 1.00 0.00 H new ATOM 0 HA GLU A 77 8.088 6.066 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.307 3.829 5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.307 4.432 4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.973 6.399 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.426 5.566 6.636 1.00 0.00 H new ATOM 1291 N LYS A 78 8.425 3.181 2.493 1.00 0.00 N ATOM 1292 CA LYS A 78 8.576 2.577 1.180 1.00 0.00 C ATOM 1293 C LYS A 78 7.343 2.895 0.332 1.00 0.00 C ATOM 1294 O LYS A 78 7.467 3.360 -0.800 1.00 0.00 O ATOM 1295 CB LYS A 78 8.865 1.080 1.309 1.00 0.00 C ATOM 1296 CG LYS A 78 7.849 0.403 2.231 1.00 0.00 C ATOM 1297 CD LYS A 78 6.949 -0.553 1.447 1.00 0.00 C ATOM 1298 CE LYS A 78 7.717 -1.806 1.022 1.00 0.00 C ATOM 1299 NZ LYS A 78 6.782 -2.922 0.756 1.00 0.00 N ATOM 0 H LYS A 78 8.350 2.516 3.262 1.00 0.00 H new ATOM 0 HA LYS A 78 9.437 3.001 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.835 0.614 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.872 0.933 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.372 -0.145 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.239 1.160 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.093 -0.837 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.556 -0.047 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.304 -1.594 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.420 -2.092 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.320 -3.765 0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.241 -3.134 1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.128 -2.653 -0.006 1.00 0.00 H new ATOM 1312 N ILE A 79 6.181 2.630 0.912 1.00 0.00 N ATOM 1313 CA ILE A 79 4.927 2.882 0.224 1.00 0.00 C ATOM 1314 C ILE A 79 4.840 4.364 -0.145 1.00 0.00 C ATOM 1315 O ILE A 79 4.894 4.719 -1.321 1.00 0.00 O ATOM 1316 CB ILE A 79 3.747 2.386 1.062 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.803 0.868 1.246 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.416 2.842 0.460 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.969 0.431 2.451 1.00 0.00 C ATOM 0 H ILE A 79 6.082 2.243 1.851 1.00 0.00 H new ATOM 0 HA ILE A 79 4.885 2.319 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 79 3.822 2.833 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.435 0.375 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.837 0.552 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.594 2.476 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.386 3.931 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.318 2.444 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.026 -0.652 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.355 0.907 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.931 0.727 2.301 1.00 0.00 H new ATOM 1331 N ARG A 80 4.708 5.190 0.883 1.00 0.00 N ATOM 1332 CA ARG A 80 4.613 6.625 0.682 1.00 0.00 C ATOM 1333 C ARG A 80 5.663 7.090 -0.329 1.00 0.00 C ATOM 1334 O ARG A 80 5.452 8.070 -1.042 1.00 0.00 O ATOM 1335 CB ARG A 80 4.814 7.380 1.998 1.00 0.00 C ATOM 1336 CG ARG A 80 6.301 7.531 2.323 1.00 0.00 C ATOM 1337 CD ARG A 80 6.853 8.846 1.769 1.00 0.00 C ATOM 1338 NE ARG A 80 8.320 8.751 1.606 1.00 0.00 N ATOM 1339 CZ ARG A 80 9.133 9.815 1.428 1.00 0.00 C ATOM 1340 NH1 ARG A 80 8.625 11.065 1.388 1.00 0.00 N ATOM 1341 NH2 ARG A 80 10.430 9.614 1.293 1.00 0.00 N ATOM 0 H ARG A 80 4.665 4.892 1.858 1.00 0.00 H new ATOM 0 HA ARG A 80 3.615 6.841 0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.351 8.365 1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.314 6.847 2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.446 7.498 3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.856 6.693 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.386 9.070 0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.606 9.666 2.443 1.00 0.00 H new ATOM 0 HE ARG A 80 8.744 7.824 1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.621 11.211 1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.245 11.863 1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.805 8.666 1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.058 10.407 1.158 1.00 0.00 H new ATOM 1354 N ARG A 81 6.772 6.365 -0.358 1.00 0.00 N ATOM 1355 CA ARG A 81 7.855 6.691 -1.271 1.00 0.00 C ATOM 1356 C ARG A 81 7.307 6.943 -2.677 1.00 0.00 C ATOM 1357 O ARG A 81 7.522 8.010 -3.249 1.00 0.00 O ATOM 1358 CB ARG A 81 8.886 5.562 -1.327 1.00 0.00 C ATOM 1359 CG ARG A 81 10.297 6.117 -1.532 1.00 0.00 C ATOM 1360 CD ARG A 81 11.038 5.342 -2.623 1.00 0.00 C ATOM 1361 NE ARG A 81 12.487 5.307 -2.324 1.00 0.00 N ATOM 1362 CZ ARG A 81 13.317 4.318 -2.717 1.00 0.00 C ATOM 1363 NH1 ARG A 81 12.848 3.272 -3.431 1.00 0.00 N ATOM 1364 NH2 ARG A 81 14.595 4.388 -2.393 1.00 0.00 N ATOM 0 H ARG A 81 6.944 5.554 0.236 1.00 0.00 H new ATOM 0 HA ARG A 81 8.341 7.594 -0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.849 4.985 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.639 4.879 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.241 7.171 -1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.854 6.058 -0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.647 4.327 -2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.870 5.811 -3.592 1.00 0.00 H new ATOM 0 HE ARG A 81 12.883 6.079 -1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.859 3.225 -3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.482 2.529 -3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.942 5.181 -1.853 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.236 3.649 -2.682 1.00 0.00 H new ATOM 1377 N ALA A 82 6.610 5.941 -3.194 1.00 0.00 N ATOM 1378 CA ALA A 82 6.030 6.041 -4.522 1.00 0.00 C ATOM 1379 C ALA A 82 4.864 7.031 -4.492 1.00 0.00 C ATOM 1380 O ALA A 82 4.782 7.925 -5.333 1.00 0.00 O ATOM 1381 CB ALA A 82 5.602 4.651 -4.998 1.00 0.00 C ATOM 0 H ALA A 82 6.434 5.057 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 82 6.764 6.418 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.167 4.726 -5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.471 3.994 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.863 4.242 -4.309 1.00 0.00 H new TER 1387 ALA A 82