USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 398 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 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -170:sc=-0.00148 (180deg=-0.0775) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ -160:sc=-0.00935 (180deg=-0.162) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.0442 K(o=-0.044,f=-1.5!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 11.442 11.885 -0.446 1.00 0.00 N ATOM 2 CA ILE A 88 12.723 11.215 -0.632 1.00 0.00 C ATOM 3 C ILE A 88 12.872 10.037 0.325 1.00 0.00 C ATOM 4 O ILE A 88 13.955 9.787 0.853 1.00 0.00 O ATOM 5 CB ILE A 88 13.901 12.185 -0.421 1.00 0.00 C ATOM 6 CG1 ILE A 88 13.758 12.913 0.917 1.00 0.00 C ATOM 7 CG2 ILE A 88 13.976 13.183 -1.567 1.00 0.00 C ATOM 8 CD1 ILE A 88 15.003 12.852 1.774 1.00 0.00 C ATOM 0 HA ILE A 88 12.742 10.850 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 88 14.827 11.610 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.507 13.957 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.924 12.480 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.813 13.862 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.120 12.649 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.049 13.755 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.829 13.389 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.243 11.812 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 88 15.835 13.312 1.240 1.00 0.00 H new ATOM 20 N ASP A 89 11.778 9.315 0.539 1.00 0.00 N ATOM 21 CA ASP A 89 11.787 8.160 1.429 1.00 0.00 C ATOM 22 C ASP A 89 11.339 6.902 0.692 1.00 0.00 C ATOM 23 O ASP A 89 10.208 6.444 0.857 1.00 0.00 O ATOM 24 CB ASP A 89 10.879 8.411 2.635 1.00 0.00 C ATOM 25 CG ASP A 89 9.622 9.173 2.264 1.00 0.00 C ATOM 26 OD1 ASP A 89 8.767 8.599 1.556 1.00 0.00 O ATOM 27 OD2 ASP A 89 9.493 10.343 2.681 1.00 0.00 O ATOM 0 H ASP A 89 10.874 9.509 0.109 1.00 0.00 H new ATOM 0 HA ASP A 89 12.809 8.010 1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.603 7.457 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.430 8.971 3.391 1.00 0.00 H new ATOM 32 N VAL A 90 12.232 6.349 -0.121 1.00 0.00 N ATOM 33 CA VAL A 90 11.929 5.144 -0.883 1.00 0.00 C ATOM 34 C VAL A 90 11.810 3.930 0.031 1.00 0.00 C ATOM 35 O VAL A 90 10.910 3.105 -0.128 1.00 0.00 O ATOM 36 CB VAL A 90 13.007 4.867 -1.948 1.00 0.00 C ATOM 37 CG1 VAL A 90 12.608 3.685 -2.818 1.00 0.00 C ATOM 38 CG2 VAL A 90 13.248 6.107 -2.796 1.00 0.00 C ATOM 0 H VAL A 90 13.172 6.716 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 90 10.974 5.316 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 90 13.938 4.615 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.382 3.505 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.491 2.798 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.665 3.904 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.012 5.894 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.322 6.392 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 90 13.583 6.925 -2.158 1.00 0.00 H new ATOM 48 N LEU A 91 12.723 3.827 0.989 1.00 0.00 N ATOM 49 CA LEU A 91 12.721 2.714 1.931 1.00 0.00 C ATOM 50 C LEU A 91 11.369 2.591 2.626 1.00 0.00 C ATOM 51 O LEU A 91 10.765 1.518 2.646 1.00 0.00 O ATOM 52 CB LEU A 91 13.827 2.898 2.972 1.00 0.00 C ATOM 53 CG LEU A 91 14.131 1.684 3.851 1.00 0.00 C ATOM 54 CD1 LEU A 91 15.314 0.906 3.295 1.00 0.00 C ATOM 55 CD2 LEU A 91 14.401 2.118 5.284 1.00 0.00 C ATOM 0 H LEU A 91 13.475 4.501 1.134 1.00 0.00 H new ATOM 0 HA LEU A 91 12.906 1.797 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.742 3.184 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.554 3.731 3.620 1.00 0.00 H new ATOM 0 HG LEU A 91 13.259 1.030 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.516 0.046 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.083 0.563 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.192 1.551 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.615 1.241 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.257 2.793 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.525 2.631 5.680 1.00 0.00 H new ATOM 67 N ARG A 92 10.898 3.697 3.193 1.00 0.00 N ATOM 68 CA ARG A 92 9.617 3.713 3.889 1.00 0.00 C ATOM 69 C ARG A 92 8.478 3.360 2.936 1.00 0.00 C ATOM 70 O ARG A 92 7.593 2.575 3.276 1.00 0.00 O ATOM 71 CB ARG A 92 9.367 5.089 4.510 1.00 0.00 C ATOM 72 CG ARG A 92 8.348 5.071 5.637 1.00 0.00 C ATOM 73 CD ARG A 92 6.991 5.574 5.170 1.00 0.00 C ATOM 74 NE ARG A 92 6.000 5.551 6.243 1.00 0.00 N ATOM 75 CZ ARG A 92 4.707 5.790 6.053 1.00 0.00 C ATOM 76 NH1 ARG A 92 4.252 6.067 4.839 1.00 0.00 N ATOM 77 NH2 ARG A 92 3.867 5.751 7.079 1.00 0.00 N ATOM 0 H ARG A 92 11.384 4.594 3.184 1.00 0.00 H new ATOM 0 HA ARG A 92 9.652 2.965 4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.309 5.484 4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.025 5.773 3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.248 4.056 6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.703 5.691 6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.092 6.591 4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.642 4.959 4.341 1.00 0.00 H new ATOM 0 HE ARG A 92 6.318 5.340 7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 92 4.895 6.097 4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 92 3.259 6.250 4.696 1.00 0.00 H new ATOM 0 HH21 ARG A 92 4.214 5.537 8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.874 5.935 6.933 1.00 0.00 H new ATOM 91 N ALA A 93 8.507 3.945 1.743 1.00 0.00 N ATOM 92 CA ALA A 93 7.478 3.690 0.743 1.00 0.00 C ATOM 93 C ALA A 93 7.424 2.212 0.376 1.00 0.00 C ATOM 94 O ALA A 93 6.347 1.651 0.169 1.00 0.00 O ATOM 95 CB ALA A 93 7.728 4.536 -0.496 1.00 0.00 C ATOM 0 H ALA A 93 9.232 4.598 1.446 1.00 0.00 H new ATOM 0 HA ALA A 93 6.514 3.966 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.953 4.336 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.708 5.592 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.703 4.287 -0.916 1.00 0.00 H new ATOM 101 N LYS A 94 8.592 1.584 0.294 1.00 0.00 N ATOM 102 CA LYS A 94 8.679 0.169 -0.049 1.00 0.00 C ATOM 103 C LYS A 94 7.938 -0.685 0.974 1.00 0.00 C ATOM 104 O LYS A 94 7.066 -1.477 0.620 1.00 0.00 O ATOM 105 CB LYS A 94 10.143 -0.268 -0.130 1.00 0.00 C ATOM 106 CG LYS A 94 10.720 -0.205 -1.534 1.00 0.00 C ATOM 107 CD LYS A 94 11.080 -1.588 -2.051 1.00 0.00 C ATOM 108 CE LYS A 94 10.897 -1.684 -3.557 1.00 0.00 C ATOM 109 NZ LYS A 94 12.190 -1.545 -4.283 1.00 0.00 N ATOM 0 H LYS A 94 9.493 2.033 0.461 1.00 0.00 H new ATOM 0 HA LYS A 94 8.210 0.027 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.739 0.365 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.230 -1.288 0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.997 0.259 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.608 0.428 -1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.114 -1.816 -1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.457 -2.335 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.441 -2.642 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.209 -0.907 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.023 -1.616 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.613 -0.620 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.839 -2.301 -3.985 1.00 0.00 H new ATOM 123 N ALA A 95 8.291 -0.517 2.245 1.00 0.00 N ATOM 124 CA ALA A 95 7.657 -1.270 3.320 1.00 0.00 C ATOM 125 C ALA A 95 6.144 -1.080 3.304 1.00 0.00 C ATOM 126 O ALA A 95 5.388 -2.031 3.504 1.00 0.00 O ATOM 127 CB ALA A 95 8.230 -0.852 4.665 1.00 0.00 C ATOM 0 H ALA A 95 9.013 0.134 2.555 1.00 0.00 H new ATOM 0 HA ALA A 95 7.865 -2.328 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 95 7.748 -1.422 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.303 -1.045 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.051 0.212 4.822 1.00 0.00 H new ATOM 133 N ALA A 96 5.709 0.153 3.067 1.00 0.00 N ATOM 134 CA ALA A 96 4.286 0.467 3.026 1.00 0.00 C ATOM 135 C ALA A 96 3.568 -0.381 1.981 1.00 0.00 C ATOM 136 O ALA A 96 2.460 -0.864 2.213 1.00 0.00 O ATOM 137 CB ALA A 96 4.080 1.947 2.739 1.00 0.00 C ATOM 0 H ALA A 96 6.322 0.951 2.900 1.00 0.00 H new ATOM 0 HA ALA A 96 3.859 0.235 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.013 2.167 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.552 2.539 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.527 2.197 1.777 1.00 0.00 H new ATOM 143 N LYS A 97 4.206 -0.558 0.829 1.00 0.00 N ATOM 144 CA LYS A 97 3.629 -1.348 -0.252 1.00 0.00 C ATOM 145 C LYS A 97 3.578 -2.826 0.122 1.00 0.00 C ATOM 146 O LYS A 97 2.561 -3.490 -0.079 1.00 0.00 O ATOM 147 CB LYS A 97 4.442 -1.163 -1.535 1.00 0.00 C ATOM 148 CG LYS A 97 4.260 0.200 -2.180 1.00 0.00 C ATOM 149 CD LYS A 97 3.886 0.077 -3.648 1.00 0.00 C ATOM 150 CE LYS A 97 3.597 1.437 -4.265 1.00 0.00 C ATOM 151 NZ LYS A 97 3.544 1.371 -5.752 1.00 0.00 N ATOM 0 H LYS A 97 5.124 -0.165 0.620 1.00 0.00 H new ATOM 0 HA LYS A 97 2.610 -0.999 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.498 -1.311 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.157 -1.935 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.484 0.753 -1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.182 0.774 -2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.698 -0.406 -4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.010 -0.563 -3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.648 1.814 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.367 2.145 -3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.515 2.335 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.388 0.879 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.692 0.853 -6.046 1.00 0.00 H new ATOM 165 N GLU A 98 4.679 -3.333 0.666 1.00 0.00 N ATOM 166 CA GLU A 98 4.757 -4.732 1.068 1.00 0.00 C ATOM 167 C GLU A 98 3.667 -5.069 2.081 1.00 0.00 C ATOM 168 O GLU A 98 3.013 -6.108 1.983 1.00 0.00 O ATOM 169 CB GLU A 98 6.133 -5.039 1.663 1.00 0.00 C ATOM 170 CG GLU A 98 6.740 -6.336 1.154 1.00 0.00 C ATOM 171 CD GLU A 98 7.129 -7.278 2.277 1.00 0.00 C ATOM 172 OE1 GLU A 98 6.368 -7.373 3.262 1.00 0.00 O ATOM 173 OE2 GLU A 98 8.194 -7.920 2.170 1.00 0.00 O ATOM 0 H GLU A 98 5.529 -2.796 0.838 1.00 0.00 H new ATOM 0 HA GLU A 98 4.607 -5.347 0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.810 -4.216 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.047 -5.089 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.026 -6.834 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.621 -6.109 0.553 1.00 0.00 H new ATOM 180 N ARG A 99 3.477 -4.184 3.054 1.00 0.00 N ATOM 181 CA ARG A 99 2.468 -4.387 4.086 1.00 0.00 C ATOM 182 C ARG A 99 1.068 -4.416 3.480 1.00 0.00 C ATOM 183 O ARG A 99 0.274 -5.310 3.769 1.00 0.00 O ATOM 184 CB ARG A 99 2.556 -3.282 5.140 1.00 0.00 C ATOM 185 CG ARG A 99 3.771 -3.400 6.046 1.00 0.00 C ATOM 186 CD ARG A 99 3.798 -2.293 7.088 1.00 0.00 C ATOM 187 NE ARG A 99 5.090 -1.614 7.132 1.00 0.00 N ATOM 188 CZ ARG A 99 5.487 -0.853 8.147 1.00 0.00 C ATOM 189 NH1 ARG A 99 4.695 -0.676 9.195 1.00 0.00 N ATOM 190 NH2 ARG A 99 6.677 -0.268 8.113 1.00 0.00 N ATOM 0 H ARG A 99 4.009 -3.319 3.149 1.00 0.00 H new ATOM 0 HA ARG A 99 2.660 -5.349 4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.580 -2.314 4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.654 -3.302 5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.762 -4.370 6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.680 -3.358 5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.015 -1.568 6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.576 -2.713 8.069 1.00 0.00 H new ATOM 0 HE ARG A 99 5.723 -1.730 6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.779 -1.124 9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.001 -0.092 9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.288 -0.402 7.308 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.981 0.316 8.892 1.00 0.00 H new ATOM 204 N ALA A 100 0.773 -3.431 2.637 1.00 0.00 N ATOM 205 CA ALA A 100 -0.530 -3.345 1.989 1.00 0.00 C ATOM 206 C ALA A 100 -0.816 -4.595 1.165 1.00 0.00 C ATOM 207 O ALA A 100 -1.965 -5.018 1.042 1.00 0.00 O ATOM 208 CB ALA A 100 -0.602 -2.103 1.112 1.00 0.00 C ATOM 0 H ALA A 100 1.419 -2.682 2.387 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.291 -3.272 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.580 -2.051 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.450 -1.215 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.173 -2.152 0.347 1.00 0.00 H new ATOM 214 N GLU A 101 0.236 -5.180 0.600 1.00 0.00 N ATOM 215 CA GLU A 101 0.095 -6.381 -0.213 1.00 0.00 C ATOM 216 C GLU A 101 -0.327 -7.573 0.640 1.00 0.00 C ATOM 217 O GLU A 101 -1.248 -8.309 0.286 1.00 0.00 O ATOM 218 CB GLU A 101 1.409 -6.695 -0.931 1.00 0.00 C ATOM 219 CG GLU A 101 1.276 -6.768 -2.443 1.00 0.00 C ATOM 220 CD GLU A 101 2.510 -6.260 -3.163 1.00 0.00 C ATOM 221 OE1 GLU A 101 3.091 -5.254 -2.708 1.00 0.00 O ATOM 222 OE2 GLU A 101 2.894 -6.871 -4.183 1.00 0.00 O ATOM 0 H GLU A 101 1.194 -4.841 0.691 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.682 -6.195 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.144 -5.931 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.796 -7.645 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.087 -7.800 -2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.411 -6.184 -2.756 1.00 0.00 H new ATOM 229 N ARG A 102 0.353 -7.755 1.768 1.00 0.00 N ATOM 230 CA ARG A 102 0.050 -8.857 2.673 1.00 0.00 C ATOM 231 C ARG A 102 -1.377 -8.750 3.203 1.00 0.00 C ATOM 232 O ARG A 102 -2.096 -9.745 3.284 1.00 0.00 O ATOM 233 CB ARG A 102 1.039 -8.873 3.840 1.00 0.00 C ATOM 234 CG ARG A 102 0.676 -9.865 4.932 1.00 0.00 C ATOM 235 CD ARG A 102 1.867 -10.727 5.320 1.00 0.00 C ATOM 236 NE ARG A 102 1.781 -12.069 4.751 1.00 0.00 N ATOM 237 CZ ARG A 102 2.607 -13.058 5.072 1.00 0.00 C ATOM 238 NH1 ARG A 102 3.577 -12.857 5.954 1.00 0.00 N ATOM 239 NH2 ARG A 102 2.464 -14.252 4.511 1.00 0.00 N ATOM 0 H ARG A 102 1.117 -7.154 2.076 1.00 0.00 H new ATOM 0 HA ARG A 102 0.142 -9.788 2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.032 -9.111 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.094 -7.874 4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.314 -9.327 5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.140 -10.502 4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.786 -10.248 4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.925 -10.797 6.406 1.00 0.00 H new ATOM 0 HE ARG A 102 1.046 -12.257 4.069 1.00 0.00 H new ATOM 0 HH11 ARG A 102 3.690 -11.941 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.210 -13.619 6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.719 -14.411 3.833 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.099 -15.011 4.758 1.00 0.00 H new ATOM 253 N ARG A 103 -1.779 -7.535 3.562 1.00 0.00 N ATOM 254 CA ARG A 103 -3.119 -7.298 4.085 1.00 0.00 C ATOM 255 C ARG A 103 -4.178 -7.621 3.035 1.00 0.00 C ATOM 256 O ARG A 103 -5.275 -8.076 3.363 1.00 0.00 O ATOM 257 CB ARG A 103 -3.263 -5.843 4.538 1.00 0.00 C ATOM 258 CG ARG A 103 -3.699 -5.697 5.986 1.00 0.00 C ATOM 259 CD ARG A 103 -2.605 -6.140 6.945 1.00 0.00 C ATOM 260 NE ARG A 103 -3.086 -6.229 8.321 1.00 0.00 N ATOM 261 CZ ARG A 103 -3.335 -5.169 9.083 1.00 0.00 C ATOM 262 NH1 ARG A 103 -3.150 -3.946 8.604 1.00 0.00 N ATOM 263 NH2 ARG A 103 -3.771 -5.331 10.325 1.00 0.00 N ATOM 0 H ARG A 103 -1.196 -6.700 3.500 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.268 -7.955 4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.310 -5.333 4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.988 -5.342 3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.960 -4.658 6.185 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.597 -6.290 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.220 -7.111 6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.774 -5.437 6.896 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.239 -7.156 8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.816 -3.818 7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.342 -3.134 9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.916 -6.270 10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.962 -4.517 10.909 1.00 0.00 H new ATOM 277 N LEU A 104 -3.843 -7.383 1.772 1.00 0.00 N ATOM 278 CA LEU A 104 -4.765 -7.649 0.673 1.00 0.00 C ATOM 279 C LEU A 104 -5.106 -9.133 0.594 1.00 0.00 C ATOM 280 O LEU A 104 -6.233 -9.504 0.267 1.00 0.00 O ATOM 281 CB LEU A 104 -4.159 -7.183 -0.651 1.00 0.00 C ATOM 282 CG LEU A 104 -5.044 -7.342 -1.888 1.00 0.00 C ATOM 283 CD1 LEU A 104 -5.056 -6.060 -2.704 1.00 0.00 C ATOM 284 CD2 LEU A 104 -4.569 -8.513 -2.736 1.00 0.00 C ATOM 0 H LEU A 104 -2.940 -7.006 1.483 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.684 -7.094 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.890 -6.131 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.234 -7.734 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.063 -7.547 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.691 -6.192 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.444 -5.244 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.041 -5.823 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.210 -8.612 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.542 -8.338 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.614 -9.430 -2.148 1.00 0.00 H new ATOM 296 N GLN A 105 -4.126 -9.977 0.899 1.00 0.00 N ATOM 297 CA GLN A 105 -4.323 -11.421 0.865 1.00 0.00 C ATOM 298 C GLN A 105 -5.513 -11.829 1.726 1.00 0.00 C ATOM 299 O GLN A 105 -6.440 -12.486 1.252 1.00 0.00 O ATOM 300 CB GLN A 105 -3.061 -12.141 1.344 1.00 0.00 C ATOM 301 CG GLN A 105 -2.937 -13.564 0.822 1.00 0.00 C ATOM 302 CD GLN A 105 -1.524 -14.103 0.928 1.00 0.00 C ATOM 303 OE1 GLN A 105 -0.591 -13.552 0.344 1.00 0.00 O ATOM 304 NE2 GLN A 105 -1.359 -15.187 1.678 1.00 0.00 N ATOM 0 H GLN A 105 -3.188 -9.686 1.172 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.528 -11.710 -0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.186 -11.571 1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.056 -12.161 2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.612 -14.212 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.256 -13.594 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.161 -15.611 2.144 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.431 -15.595 1.787 1.00 0.00 H new ATOM 313 N SER A 106 -5.482 -11.435 2.995 1.00 0.00 N ATOM 314 CA SER A 106 -6.556 -11.763 3.925 1.00 0.00 C ATOM 315 C SER A 106 -7.820 -10.974 3.595 1.00 0.00 C ATOM 316 O SER A 106 -7.760 -9.779 3.307 1.00 0.00 O ATOM 317 CB SER A 106 -6.122 -11.473 5.363 1.00 0.00 C ATOM 318 OG SER A 106 -6.643 -12.440 6.257 1.00 0.00 O ATOM 0 H SER A 106 -4.724 -10.888 3.403 1.00 0.00 H new ATOM 0 HA SER A 106 -6.775 -12.826 3.827 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.034 -11.466 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.464 -10.480 5.656 1.00 0.00 H new ATOM 0 HG SER A 106 -6.350 -12.234 7.169 1.00 0.00 H new ATOM 324 N GLN A 107 -8.962 -11.653 3.638 1.00 0.00 N ATOM 325 CA GLN A 107 -10.240 -11.016 3.343 1.00 0.00 C ATOM 326 C GLN A 107 -11.049 -10.801 4.618 1.00 0.00 C ATOM 327 O GLN A 107 -11.854 -9.875 4.703 1.00 0.00 O ATOM 328 CB GLN A 107 -11.040 -11.866 2.353 1.00 0.00 C ATOM 329 CG GLN A 107 -11.318 -13.276 2.849 1.00 0.00 C ATOM 330 CD GLN A 107 -12.232 -14.051 1.921 1.00 0.00 C ATOM 331 OE1 GLN A 107 -13.338 -13.609 1.609 1.00 0.00 O ATOM 332 NE2 GLN A 107 -11.773 -15.214 1.473 1.00 0.00 N ATOM 0 H GLN A 107 -9.028 -12.643 3.874 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.038 -10.043 2.896 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.988 -11.370 2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.494 -11.922 1.411 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.375 -13.812 2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.770 -13.226 3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.850 -15.542 1.758 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.344 -15.779 0.844 1.00 0.00 H new ATOM 341 N GLN A 108 -10.828 -11.664 5.605 1.00 0.00 N ATOM 342 CA GLN A 108 -11.538 -11.568 6.875 1.00 0.00 C ATOM 343 C GLN A 108 -11.382 -10.178 7.482 1.00 0.00 C ATOM 344 O GLN A 108 -12.276 -9.687 8.171 1.00 0.00 O ATOM 345 CB GLN A 108 -11.022 -12.626 7.852 1.00 0.00 C ATOM 346 CG GLN A 108 -11.173 -14.050 7.342 1.00 0.00 C ATOM 347 CD GLN A 108 -12.406 -14.739 7.893 1.00 0.00 C ATOM 348 OE1 GLN A 108 -13.442 -14.108 8.102 1.00 0.00 O ATOM 349 NE2 GLN A 108 -12.301 -16.042 8.128 1.00 0.00 N ATOM 0 H GLN A 108 -10.164 -12.436 5.550 1.00 0.00 H new ATOM 0 HA GLN A 108 -12.597 -11.744 6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -9.970 -12.433 8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -11.557 -12.528 8.796 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -11.224 -14.039 6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -10.288 -14.625 7.614 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -11.422 -16.525 7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -13.099 -16.560 8.496 1.00 0.00 H new ATOM 358 N ASP A 109 -10.241 -9.549 7.223 1.00 0.00 N ATOM 359 CA ASP A 109 -9.967 -8.215 7.743 1.00 0.00 C ATOM 360 C ASP A 109 -10.418 -7.143 6.755 1.00 0.00 C ATOM 361 O ASP A 109 -9.648 -6.250 6.400 1.00 0.00 O ATOM 362 CB ASP A 109 -8.476 -8.057 8.043 1.00 0.00 C ATOM 363 CG ASP A 109 -7.605 -8.446 6.864 1.00 0.00 C ATOM 364 OD1 ASP A 109 -8.138 -8.547 5.739 1.00 0.00 O ATOM 365 OD2 ASP A 109 -6.390 -8.649 7.067 1.00 0.00 O ATOM 0 H ASP A 109 -9.490 -9.942 6.655 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.530 -8.090 8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.271 -7.022 8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.214 -8.673 8.904 1.00 0.00 H new ATOM 370 N ASP A 110 -11.667 -7.239 6.315 1.00 0.00 N ATOM 371 CA ASP A 110 -12.220 -6.278 5.368 1.00 0.00 C ATOM 372 C ASP A 110 -12.180 -4.865 5.942 1.00 0.00 C ATOM 373 O ASP A 110 -12.001 -3.892 5.208 1.00 0.00 O ATOM 374 CB ASP A 110 -13.658 -6.655 5.007 1.00 0.00 C ATOM 375 CG ASP A 110 -13.791 -7.123 3.572 1.00 0.00 C ATOM 376 OD1 ASP A 110 -12.833 -7.737 3.057 1.00 0.00 O ATOM 377 OD2 ASP A 110 -14.852 -6.875 2.962 1.00 0.00 O ATOM 0 H ASP A 110 -12.316 -7.973 6.599 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.609 -6.302 4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -14.003 -7.443 5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.307 -5.794 5.167 1.00 0.00 H new ATOM 382 N ILE A 111 -12.349 -4.761 7.255 1.00 0.00 N ATOM 383 CA ILE A 111 -12.332 -3.467 7.927 1.00 0.00 C ATOM 384 C ILE A 111 -10.984 -2.776 7.754 1.00 0.00 C ATOM 385 O ILE A 111 -10.903 -1.547 7.733 1.00 0.00 O ATOM 386 CB ILE A 111 -12.635 -3.609 9.430 1.00 0.00 C ATOM 387 CG1 ILE A 111 -13.941 -4.378 9.639 1.00 0.00 C ATOM 388 CG2 ILE A 111 -12.709 -2.238 10.087 1.00 0.00 C ATOM 389 CD1 ILE A 111 -13.741 -5.765 10.208 1.00 0.00 C ATOM 0 H ILE A 111 -12.499 -5.557 7.875 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.110 -2.861 7.464 1.00 0.00 H new ATOM 0 HB ILE A 111 -11.826 -4.171 9.897 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -14.585 -3.809 10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -14.463 -4.457 8.686 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -12.924 -2.355 11.149 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -11.756 -1.724 9.964 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -13.500 -1.652 9.619 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -14.709 -6.251 10.330 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -13.123 -6.352 9.528 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -13.247 -5.693 11.177 1.00 0.00 H new ATOM 401 N ASP A 112 -9.928 -3.573 7.630 1.00 0.00 N ATOM 402 CA ASP A 112 -8.583 -3.038 7.455 1.00 0.00 C ATOM 403 C ASP A 112 -8.202 -2.994 5.979 1.00 0.00 C ATOM 404 O ASP A 112 -7.375 -2.182 5.564 1.00 0.00 O ATOM 405 CB ASP A 112 -7.571 -3.883 8.231 1.00 0.00 C ATOM 406 CG ASP A 112 -7.973 -4.085 9.678 1.00 0.00 C ATOM 407 OD1 ASP A 112 -7.835 -3.130 10.470 1.00 0.00 O ATOM 408 OD2 ASP A 112 -8.426 -5.198 10.018 1.00 0.00 O ATOM 0 H ASP A 112 -9.978 -4.592 7.647 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.570 -2.020 7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.466 -4.854 7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -6.594 -3.401 8.192 1.00 0.00 H new ATOM 413 N PHE A 113 -8.811 -3.873 5.190 1.00 0.00 N ATOM 414 CA PHE A 113 -8.535 -3.936 3.759 1.00 0.00 C ATOM 415 C PHE A 113 -8.722 -2.569 3.108 1.00 0.00 C ATOM 416 O PHE A 113 -7.975 -2.190 2.206 1.00 0.00 O ATOM 417 CB PHE A 113 -9.448 -4.963 3.086 1.00 0.00 C ATOM 418 CG PHE A 113 -9.353 -4.959 1.588 1.00 0.00 C ATOM 419 CD1 PHE A 113 -8.172 -5.308 0.954 1.00 0.00 C ATOM 420 CD2 PHE A 113 -10.446 -4.606 0.812 1.00 0.00 C ATOM 421 CE1 PHE A 113 -8.081 -5.304 -0.424 1.00 0.00 C ATOM 422 CE2 PHE A 113 -10.362 -4.601 -0.567 1.00 0.00 C ATOM 423 CZ PHE A 113 -9.178 -4.951 -1.186 1.00 0.00 C ATOM 0 H PHE A 113 -9.499 -4.551 5.517 1.00 0.00 H new ATOM 0 HA PHE A 113 -7.497 -4.242 3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.197 -5.957 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.480 -4.766 3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.312 -5.587 1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -11.374 -4.332 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -7.153 -5.576 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.221 -4.324 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.110 -4.949 -2.264 1.00 0.00 H new ATOM 433 N LYS A 114 -9.726 -1.832 3.572 1.00 0.00 N ATOM 434 CA LYS A 114 -10.013 -0.506 3.037 1.00 0.00 C ATOM 435 C LYS A 114 -8.833 0.436 3.256 1.00 0.00 C ATOM 436 O LYS A 114 -8.491 1.230 2.380 1.00 0.00 O ATOM 437 CB LYS A 114 -11.268 0.071 3.696 1.00 0.00 C ATOM 438 CG LYS A 114 -11.180 0.148 5.210 1.00 0.00 C ATOM 439 CD LYS A 114 -12.559 0.171 5.849 1.00 0.00 C ATOM 440 CE LYS A 114 -12.715 1.350 6.796 1.00 0.00 C ATOM 441 NZ LYS A 114 -12.916 2.629 6.060 1.00 0.00 N ATOM 0 H LYS A 114 -10.355 -2.131 4.318 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.184 -0.603 1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.449 1.070 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -12.127 -0.542 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.618 -0.707 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -10.630 1.044 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -13.321 0.225 5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -12.724 -0.759 6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -13.563 1.175 7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.830 1.429 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.018 3.409 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.095 2.810 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.775 2.563 5.478 1.00 0.00 H new ATOM 455 N ARG A 115 -8.215 0.341 4.428 1.00 0.00 N ATOM 456 CA ARG A 115 -7.073 1.184 4.761 1.00 0.00 C ATOM 457 C ARG A 115 -5.898 0.900 3.829 1.00 0.00 C ATOM 458 O ARG A 115 -5.318 1.817 3.248 1.00 0.00 O ATOM 459 CB ARG A 115 -6.652 0.960 6.213 1.00 0.00 C ATOM 460 CG ARG A 115 -6.749 2.208 7.075 1.00 0.00 C ATOM 461 CD ARG A 115 -5.386 2.626 7.606 1.00 0.00 C ATOM 462 NE ARG A 115 -5.449 3.883 8.347 1.00 0.00 N ATOM 463 CZ ARG A 115 -5.556 5.073 7.768 1.00 0.00 C ATOM 464 NH1 ARG A 115 -5.613 5.169 6.446 1.00 0.00 N ATOM 465 NH2 ARG A 115 -5.608 6.172 8.511 1.00 0.00 N ATOM 0 H ARG A 115 -8.486 -0.312 5.164 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.372 2.224 4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.277 0.179 6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.625 0.594 6.232 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.179 3.022 6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.425 2.023 7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.994 1.842 8.254 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.689 2.730 6.774 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.409 3.845 9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.575 4.327 5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.695 6.085 6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.566 6.103 9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -5.690 7.086 8.065 1.00 0.00 H new ATOM 479 N ALA A 116 -5.553 -0.376 3.692 1.00 0.00 N ATOM 480 CA ALA A 116 -4.449 -0.781 2.831 1.00 0.00 C ATOM 481 C ALA A 116 -4.671 -0.313 1.397 1.00 0.00 C ATOM 482 O ALA A 116 -3.717 -0.093 0.652 1.00 0.00 O ATOM 483 CB ALA A 116 -4.272 -2.291 2.875 1.00 0.00 C ATOM 0 H ALA A 116 -6.022 -1.147 4.167 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.539 -0.309 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.444 -2.579 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.058 -2.603 3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -5.187 -2.775 2.532 1.00 0.00 H new ATOM 489 N GLU A 117 -5.936 -0.164 1.018 1.00 0.00 N ATOM 490 CA GLU A 117 -6.282 0.276 -0.328 1.00 0.00 C ATOM 491 C GLU A 117 -5.997 1.765 -0.504 1.00 0.00 C ATOM 492 O GLU A 117 -5.425 2.184 -1.512 1.00 0.00 O ATOM 493 CB GLU A 117 -7.757 -0.009 -0.618 1.00 0.00 C ATOM 494 CG GLU A 117 -7.982 -1.253 -1.461 1.00 0.00 C ATOM 495 CD GLU A 117 -9.451 -1.605 -1.601 1.00 0.00 C ATOM 496 OE1 GLU A 117 -10.229 -1.286 -0.679 1.00 0.00 O ATOM 497 OE2 GLU A 117 -9.821 -2.200 -2.635 1.00 0.00 O ATOM 0 H GLU A 117 -6.737 -0.341 1.623 1.00 0.00 H new ATOM 0 HA GLU A 117 -5.666 -0.281 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.290 -0.119 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.191 0.850 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.553 -1.099 -2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.452 -2.093 -1.011 1.00 0.00 H new ATOM 504 N LEU A 118 -6.398 2.559 0.481 1.00 0.00 N ATOM 505 CA LEU A 118 -6.187 4.001 0.436 1.00 0.00 C ATOM 506 C LEU A 118 -4.698 4.333 0.436 1.00 0.00 C ATOM 507 O LEU A 118 -4.258 5.258 -0.246 1.00 0.00 O ATOM 508 CB LEU A 118 -6.870 4.674 1.628 1.00 0.00 C ATOM 509 CG LEU A 118 -7.383 6.095 1.393 1.00 0.00 C ATOM 510 CD1 LEU A 118 -8.829 6.070 0.920 1.00 0.00 C ATOM 511 CD2 LEU A 118 -7.250 6.927 2.660 1.00 0.00 C ATOM 0 H LEU A 118 -6.872 2.229 1.322 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.626 4.379 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.710 4.053 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.166 4.696 2.460 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.775 6.555 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -9.177 7.090 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.897 5.511 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -9.451 5.591 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.620 7.935 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.833 6.469 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.202 6.974 2.956 1.00 0.00 H new ATOM 523 N ALA A 119 -3.926 3.571 1.204 1.00 0.00 N ATOM 524 CA ALA A 119 -2.487 3.782 1.288 1.00 0.00 C ATOM 525 C ALA A 119 -1.799 3.407 -0.019 1.00 0.00 C ATOM 526 O ALA A 119 -0.895 4.105 -0.479 1.00 0.00 O ATOM 527 CB ALA A 119 -1.903 2.979 2.442 1.00 0.00 C ATOM 0 H ALA A 119 -4.274 2.802 1.777 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.311 4.842 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -0.827 3.146 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.365 3.297 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.099 1.919 2.283 1.00 0.00 H new ATOM 533 N LEU A 120 -2.233 2.302 -0.615 1.00 0.00 N ATOM 534 CA LEU A 120 -1.658 1.834 -1.871 1.00 0.00 C ATOM 535 C LEU A 120 -1.962 2.807 -3.004 1.00 0.00 C ATOM 536 O LEU A 120 -1.117 3.062 -3.863 1.00 0.00 O ATOM 537 CB LEU A 120 -2.200 0.445 -2.217 1.00 0.00 C ATOM 538 CG LEU A 120 -1.188 -0.700 -2.174 1.00 0.00 C ATOM 539 CD1 LEU A 120 -1.882 -2.034 -2.398 1.00 0.00 C ATOM 540 CD2 LEU A 120 -0.094 -0.485 -3.210 1.00 0.00 C ATOM 0 H LEU A 120 -2.981 1.713 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.577 1.775 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.012 0.212 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.632 0.484 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.727 -0.715 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.146 -2.837 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.627 -2.192 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.371 -2.031 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.617 -1.310 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.538 -0.443 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.423 0.452 -3.004 1.00 0.00 H new ATOM 552 N LYS A 121 -3.174 3.352 -3.001 1.00 0.00 N ATOM 553 CA LYS A 121 -3.591 4.301 -4.026 1.00 0.00 C ATOM 554 C LYS A 121 -2.715 5.549 -4.000 1.00 0.00 C ATOM 555 O LYS A 121 -2.273 6.032 -5.043 1.00 0.00 O ATOM 556 CB LYS A 121 -5.057 4.689 -3.827 1.00 0.00 C ATOM 557 CG LYS A 121 -5.915 4.486 -5.063 1.00 0.00 C ATOM 558 CD LYS A 121 -6.224 3.016 -5.291 1.00 0.00 C ATOM 559 CE LYS A 121 -5.531 2.488 -6.539 1.00 0.00 C ATOM 560 NZ LYS A 121 -6.070 3.111 -7.779 1.00 0.00 N ATOM 0 H LYS A 121 -3.886 3.152 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 121 -3.479 3.820 -4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.471 4.102 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.109 5.736 -3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -6.846 5.042 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.400 4.890 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -5.905 2.437 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -7.301 2.880 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -4.461 2.683 -6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -5.655 1.406 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -5.838 2.513 -8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -7.103 3.204 -7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -5.646 4.052 -7.907 1.00 0.00 H new ATOM 574 N ARG A 122 -2.467 6.067 -2.801 1.00 0.00 N ATOM 575 CA ARG A 122 -1.644 7.259 -2.640 1.00 0.00 C ATOM 576 C ARG A 122 -0.169 6.935 -2.859 1.00 0.00 C ATOM 577 O ARG A 122 0.587 7.756 -3.378 1.00 0.00 O ATOM 578 CB ARG A 122 -1.843 7.858 -1.245 1.00 0.00 C ATOM 579 CG ARG A 122 -1.729 9.373 -1.212 1.00 0.00 C ATOM 580 CD ARG A 122 -0.521 9.823 -0.406 1.00 0.00 C ATOM 581 NE ARG A 122 -0.772 9.772 1.031 1.00 0.00 N ATOM 582 CZ ARG A 122 -1.425 10.718 1.698 1.00 0.00 C ATOM 583 NH1 ARG A 122 -1.890 11.783 1.058 1.00 0.00 N ATOM 584 NH2 ARG A 122 -1.614 10.600 3.005 1.00 0.00 N ATOM 0 H ARG A 122 -2.824 5.680 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.954 7.988 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -2.825 7.568 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -1.104 7.431 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -1.652 9.755 -2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -2.635 9.798 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.332 9.189 -0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -0.253 10.840 -0.691 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.427 8.966 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.747 11.877 0.052 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -2.391 12.508 1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -1.258 9.782 3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.115 11.327 3.515 1.00 0.00 H new ATOM 598 N ALA A 123 0.234 5.734 -2.459 1.00 0.00 N ATOM 599 CA ALA A 123 1.617 5.301 -2.613 1.00 0.00 C ATOM 600 C ALA A 123 1.996 5.188 -4.086 1.00 0.00 C ATOM 601 O ALA A 123 3.114 5.523 -4.475 1.00 0.00 O ATOM 602 CB ALA A 123 1.836 3.971 -1.906 1.00 0.00 C ATOM 0 H ALA A 123 -0.378 5.043 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 123 2.260 6.053 -2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.873 3.660 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.614 4.082 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.177 3.217 -2.337 1.00 0.00 H new ATOM 608 N MET A 124 1.058 4.714 -4.899 1.00 0.00 N ATOM 609 CA MET A 124 1.295 4.558 -6.330 1.00 0.00 C ATOM 610 C MET A 124 1.376 5.917 -7.018 1.00 0.00 C ATOM 611 O MET A 124 2.302 6.180 -7.785 1.00 0.00 O ATOM 612 CB MET A 124 0.185 3.718 -6.963 1.00 0.00 C ATOM 613 CG MET A 124 0.591 3.062 -8.273 1.00 0.00 C ATOM 614 SD MET A 124 -0.819 2.424 -9.197 1.00 0.00 S ATOM 615 CE MET A 124 -1.332 3.890 -10.089 1.00 0.00 C ATOM 0 H MET A 124 0.127 4.431 -4.592 1.00 0.00 H new ATOM 0 HA MET A 124 2.248 4.046 -6.462 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.121 2.945 -6.258 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.684 4.352 -7.138 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.125 3.787 -8.887 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.284 2.247 -8.067 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.198 3.655 -10.708 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.595 4.674 -9.379 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.515 4.234 -10.724 1.00 0.00 H new ATOM 625 N ASN A 125 0.400 6.776 -6.740 1.00 0.00 N ATOM 626 CA ASN A 125 0.362 8.107 -7.334 1.00 0.00 C ATOM 627 C ASN A 125 1.631 8.887 -7.004 1.00 0.00 C ATOM 628 O ASN A 125 2.294 9.418 -7.895 1.00 0.00 O ATOM 629 CB ASN A 125 -0.866 8.874 -6.839 1.00 0.00 C ATOM 630 CG ASN A 125 -2.153 8.373 -7.465 1.00 0.00 C ATOM 631 OD1 ASN A 125 -2.142 7.793 -8.551 1.00 0.00 O ATOM 632 ND2 ASN A 125 -3.269 8.597 -6.783 1.00 0.00 N ATOM 0 H ASN A 125 -0.374 6.574 -6.108 1.00 0.00 H new ATOM 0 HA ASN A 125 0.299 7.993 -8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -0.934 8.784 -5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.744 9.933 -7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -4.166 8.284 -7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -3.230 9.082 -5.886 1.00 0.00 H new ATOM 639 N ARG A 126 1.962 8.951 -5.719 1.00 0.00 N ATOM 640 CA ARG A 126 3.151 9.666 -5.270 1.00 0.00 C ATOM 641 C ARG A 126 4.410 9.069 -5.891 1.00 0.00 C ATOM 642 O ARG A 126 5.334 9.793 -6.266 1.00 0.00 O ATOM 643 CB ARG A 126 3.252 9.625 -3.744 1.00 0.00 C ATOM 644 CG ARG A 126 4.331 10.534 -3.181 1.00 0.00 C ATOM 645 CD ARG A 126 4.410 10.432 -1.666 1.00 0.00 C ATOM 646 NE ARG A 126 5.445 11.301 -1.112 1.00 0.00 N ATOM 647 CZ ARG A 126 5.302 12.614 -0.966 1.00 0.00 C ATOM 648 NH1 ARG A 126 4.173 13.205 -1.330 1.00 0.00 N ATOM 649 NH2 ARG A 126 6.289 13.337 -0.454 1.00 0.00 N ATOM 0 H ARG A 126 1.423 8.516 -4.970 1.00 0.00 H new ATOM 0 HA ARG A 126 3.064 10.704 -5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.290 9.909 -3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.451 8.601 -3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.295 10.269 -3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.125 11.565 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.445 10.697 -1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 126 4.614 9.399 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 126 6.326 10.877 -0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.412 12.652 -1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 126 4.066 14.213 -1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 126 7.159 12.885 -0.172 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.178 14.345 -0.342 1.00 0.00 H new ATOM 663 N LEU A 127 4.442 7.745 -5.995 1.00 0.00 N ATOM 664 CA LEU A 127 5.589 7.050 -6.569 1.00 0.00 C ATOM 665 C LEU A 127 5.736 7.375 -8.052 1.00 0.00 C ATOM 666 O LEU A 127 6.848 7.448 -8.574 1.00 0.00 O ATOM 667 CB LEU A 127 5.442 5.539 -6.379 1.00 0.00 C ATOM 668 CG LEU A 127 6.575 4.679 -6.939 1.00 0.00 C ATOM 669 CD1 LEU A 127 7.781 4.716 -6.014 1.00 0.00 C ATOM 670 CD2 LEU A 127 6.104 3.247 -7.148 1.00 0.00 C ATOM 0 H LEU A 127 3.687 7.131 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 127 6.485 7.390 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.351 5.334 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.509 5.223 -6.845 1.00 0.00 H new ATOM 0 HG LEU A 127 6.872 5.087 -7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.577 4.098 -6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.133 5.743 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.499 4.333 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 127 6.923 2.649 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.779 2.828 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 127 5.271 3.237 -7.851 1.00 0.00 H new ATOM 682 N SER A 128 4.607 7.572 -8.724 1.00 0.00 N ATOM 683 CA SER A 128 4.610 7.888 -10.148 1.00 0.00 C ATOM 684 C SER A 128 5.271 9.239 -10.403 1.00 0.00 C ATOM 685 O SER A 128 6.075 9.386 -11.323 1.00 0.00 O ATOM 686 CB SER A 128 3.180 7.896 -10.693 1.00 0.00 C ATOM 687 OG SER A 128 2.839 6.637 -11.249 1.00 0.00 O ATOM 0 H SER A 128 3.678 7.519 -8.306 1.00 0.00 H new ATOM 0 HA SER A 128 5.184 7.119 -10.665 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.484 8.144 -9.892 1.00 0.00 H new ATOM 0 HB3 SER A 128 3.081 8.671 -11.453 1.00 0.00 H new ATOM 0 HG SER A 128 1.920 6.667 -11.589 1.00 0.00 H new ATOM 693 N VAL A 129 4.925 10.224 -9.580 1.00 0.00 N ATOM 694 CA VAL A 129 5.485 11.564 -9.714 1.00 0.00 C ATOM 695 C VAL A 129 6.969 11.577 -9.367 1.00 0.00 C ATOM 696 O VAL A 129 7.750 12.317 -9.963 1.00 0.00 O ATOM 697 CB VAL A 129 4.749 12.573 -8.812 1.00 0.00 C ATOM 698 CG1 VAL A 129 5.282 13.979 -9.038 1.00 0.00 C ATOM 699 CG2 VAL A 129 3.249 12.515 -9.063 1.00 0.00 C ATOM 0 H VAL A 129 4.260 10.119 -8.814 1.00 0.00 H new ATOM 0 HA VAL A 129 5.356 11.858 -10.756 1.00 0.00 H new ATOM 0 HB VAL A 129 4.931 12.305 -7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 129 4.750 14.678 -8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.346 14.007 -8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.132 14.262 -10.080 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.744 13.234 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.045 12.758 -10.106 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.882 11.512 -8.845 1.00 0.00 H new ATOM 709 N ALA A 130 7.351 10.753 -8.397 1.00 0.00 N ATOM 710 CA ALA A 130 8.743 10.667 -7.971 1.00 0.00 C ATOM 711 C ALA A 130 9.652 10.300 -9.139 1.00 0.00 C ATOM 712 O ALA A 130 10.617 11.007 -9.430 1.00 0.00 O ATOM 713 CB ALA A 130 8.889 9.652 -6.847 1.00 0.00 C ATOM 0 H ALA A 130 6.716 10.135 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 130 9.046 11.647 -7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 130 9.933 9.598 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.276 9.957 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.563 8.672 -7.197 1.00 0.00 H new ATOM 719 N GLU A 131 9.339 9.192 -9.802 1.00 0.00 N ATOM 720 CA GLU A 131 10.130 8.732 -10.936 1.00 0.00 C ATOM 721 C GLU A 131 10.322 9.851 -11.956 1.00 0.00 C ATOM 722 O GLU A 131 11.445 10.276 -12.224 1.00 0.00 O ATOM 723 CB GLU A 131 9.457 7.530 -11.603 1.00 0.00 C ATOM 724 CG GLU A 131 10.369 6.323 -11.745 1.00 0.00 C ATOM 725 CD GLU A 131 10.465 5.511 -10.468 1.00 0.00 C ATOM 726 OE1 GLU A 131 9.592 4.645 -10.251 1.00 0.00 O ATOM 727 OE2 GLU A 131 11.413 5.740 -9.688 1.00 0.00 O ATOM 0 H GLU A 131 8.543 8.596 -9.573 1.00 0.00 H new ATOM 0 HA GLU A 131 11.109 8.431 -10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.580 7.246 -11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 131 9.102 7.825 -12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 131 10.000 5.686 -12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 131 11.365 6.657 -12.034 1.00 0.00 H new ATOM 734 N MET A 132 9.216 10.324 -12.522 1.00 0.00 N ATOM 735 CA MET A 132 9.261 11.394 -13.512 1.00 0.00 C ATOM 736 C MET A 132 9.104 12.757 -12.846 1.00 0.00 C ATOM 737 O MET A 132 8.389 13.626 -13.346 1.00 0.00 O ATOM 738 CB MET A 132 8.164 11.196 -14.560 1.00 0.00 C ATOM 739 CG MET A 132 8.257 9.867 -15.292 1.00 0.00 C ATOM 740 SD MET A 132 8.991 10.027 -16.931 1.00 0.00 S ATOM 741 CE MET A 132 7.524 10.203 -17.944 1.00 0.00 C ATOM 0 H MET A 132 8.278 9.983 -12.312 1.00 0.00 H new ATOM 0 HA MET A 132 10.233 11.359 -14.004 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.191 11.266 -14.074 1.00 0.00 H new ATOM 0 HB3 MET A 132 8.216 12.007 -15.287 1.00 0.00 H new ATOM 0 HG2 MET A 132 8.850 9.171 -14.699 1.00 0.00 H new ATOM 0 HG3 MET A 132 7.260 9.437 -15.385 1.00 0.00 H new ATOM 0 HE1 MET A 132 7.814 10.312 -18.989 1.00 0.00 H new ATOM 0 HE2 MET A 132 6.896 9.319 -17.832 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.967 11.085 -17.628 1.00 0.00 H new ATOM 751 N LYS A 133 9.776 12.939 -11.714 1.00 0.00 N ATOM 752 CA LYS A 133 9.712 14.196 -10.979 1.00 0.00 C ATOM 753 C LYS A 133 10.228 15.351 -11.831 1.00 0.00 C ATOM 754 O LYS A 133 9.462 15.997 -12.547 1.00 0.00 O ATOM 755 CB LYS A 133 10.527 14.098 -9.687 1.00 0.00 C ATOM 756 CG LYS A 133 10.650 15.417 -8.944 1.00 0.00 C ATOM 757 CD LYS A 133 9.292 15.941 -8.509 1.00 0.00 C ATOM 758 CE LYS A 133 9.428 17.086 -7.516 1.00 0.00 C ATOM 759 NZ LYS A 133 8.153 17.839 -7.361 1.00 0.00 N ATOM 0 H LYS A 133 10.372 12.231 -11.286 1.00 0.00 H new ATOM 0 HA LYS A 133 8.669 14.389 -10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 133 10.063 13.362 -9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 133 11.525 13.730 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 133 11.287 15.285 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 133 11.137 16.152 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 133 8.735 16.280 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 133 8.717 15.133 -8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 133 9.737 16.692 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 133 10.213 17.765 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 8.287 18.611 -6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 7.870 18.236 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 7.410 17.197 -7.018 1.00 0.00 H new TER 773 LYS A 133