USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 GLN :FLIP amide:sc= -0.355 F(o=-2.9!,f=-0.44) USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -0.0895 X(o=-0.72,f=-0.44) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.17) USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.08 (180deg=0.569) USER MOD Single : A 5 GLN : amide:sc= 1.25 K(o=1.3,f=-7.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0156 USER MOD Single : A 15 MET CE :methyl 175:sc= -0.655 (180deg=-0.703) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.184 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot -0:sc= 0.109 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.448 X(o=0.45,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 92:sc= 0.565 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.611 USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= -0.0354 (180deg=-0.346) USER MOD Single : A 77 THR OG1 : rot 22:sc= 0.252 USER MOD Single : A 80 HIS : no HD1:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 81 TYR OH : rot 34:sc= 1.23 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 1.92 (180deg=1.69) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -13.221 11.168 12.472 1.00 1.75 N ATOM 2 CA ARG A 1 -13.470 9.707 12.623 1.00 1.74 C ATOM 3 C ARG A 1 -14.810 9.259 12.032 1.00 1.77 C ATOM 4 O ARG A 1 -14.856 8.422 11.122 1.00 1.74 O ATOM 5 CB ARG A 1 -13.272 9.267 14.094 1.00 1.77 C ATOM 6 CG ARG A 1 -13.311 7.743 14.321 1.00 1.77 C ATOM 7 CD ARG A 1 -14.687 7.246 14.790 1.00 1.83 C ATOM 8 NE ARG A 1 -14.723 5.779 14.879 1.00 1.84 N ATOM 9 CZ ARG A 1 -14.414 5.004 15.896 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.002 5.466 17.041 1.00 1.89 N ATOM 11 NH2 ARG A 1 -14.526 3.719 15.749 1.00 1.87 N ATOM 0 H1 ARG A 1 -12.205 11.361 12.585 1.00 1.75 H new ATOM 0 H2 ARG A 1 -13.529 11.477 11.528 1.00 1.75 H new ATOM 0 H3 ARG A 1 -13.755 11.688 13.197 1.00 1.75 H new ATOM 0 HA ARG A 1 -12.722 9.186 12.026 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -12.314 9.649 14.447 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -14.046 9.732 14.705 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.043 7.235 13.394 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -12.560 7.471 15.062 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -14.919 7.677 15.764 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -15.456 7.589 14.098 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.030 5.295 14.035 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -13.906 6.472 17.180 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -13.775 4.822 17.799 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -14.847 3.333 14.861 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.293 3.095 16.522 1.00 1.87 H new ATOM 27 N ALA A 2 -15.915 9.779 12.576 1.00 1.84 N ATOM 28 CA ALA A 2 -17.255 9.270 12.262 1.00 1.89 C ATOM 29 C ALA A 2 -17.668 9.481 10.797 1.00 1.88 C ATOM 30 O ALA A 2 -18.280 8.601 10.196 1.00 1.89 O ATOM 31 CB ALA A 2 -18.256 9.915 13.227 1.00 1.97 C ATOM 0 H ALA A 2 -15.908 10.555 13.238 1.00 1.84 H new ATOM 0 HA ALA A 2 -17.245 8.188 12.393 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -19.259 9.549 13.009 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -17.990 9.658 14.252 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -18.231 10.998 13.107 1.00 1.97 H new ATOM 37 N ASP A 3 -17.286 10.613 10.200 1.00 1.87 N ATOM 38 CA ASP A 3 -17.592 10.902 8.794 1.00 1.88 C ATOM 39 C ASP A 3 -16.747 10.074 7.811 1.00 1.81 C ATOM 40 O ASP A 3 -17.256 9.691 6.758 1.00 1.82 O ATOM 41 CB ASP A 3 -17.388 12.403 8.552 1.00 1.90 C ATOM 42 CG ASP A 3 -17.888 12.842 7.165 1.00 1.92 C ATOM 43 OD1 ASP A 3 -19.118 12.790 6.923 1.00 1.98 O ATOM 44 OD2 ASP A 3 -17.062 13.285 6.331 1.00 1.89 O ATOM 0 H ASP A 3 -16.761 11.350 10.671 1.00 1.87 H new ATOM 0 HA ASP A 3 -18.628 10.619 8.607 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -17.914 12.968 9.321 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -16.329 12.644 8.648 1.00 1.90 H new ATOM 49 N GLU A 4 -15.508 9.716 8.179 1.00 1.74 N ATOM 50 CA GLU A 4 -14.691 8.812 7.356 1.00 1.68 C ATOM 51 C GLU A 4 -15.313 7.416 7.377 1.00 1.69 C ATOM 52 O GLU A 4 -15.528 6.810 6.327 1.00 1.68 O ATOM 53 CB GLU A 4 -13.247 8.737 7.875 1.00 1.62 C ATOM 54 CG GLU A 4 -12.520 10.089 7.922 1.00 1.61 C ATOM 55 CD GLU A 4 -12.590 10.713 9.325 1.00 1.65 C ATOM 56 OE1 GLU A 4 -13.665 11.209 9.742 1.00 1.71 O ATOM 57 OE2 GLU A 4 -11.585 10.668 10.070 1.00 1.62 O ATOM 0 H GLU A 4 -15.053 10.036 9.034 1.00 1.74 H new ATOM 0 HA GLU A 4 -14.666 9.200 6.338 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -13.255 8.308 8.877 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -12.681 8.055 7.241 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -11.478 9.954 7.634 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -12.966 10.769 7.197 1.00 1.61 H new ATOM 64 N GLN A 5 -15.697 6.937 8.568 1.00 1.72 N ATOM 65 CA GLN A 5 -16.394 5.655 8.671 1.00 1.75 C ATOM 66 C GLN A 5 -17.723 5.655 7.897 1.00 1.81 C ATOM 67 O GLN A 5 -17.954 4.750 7.095 1.00 1.81 O ATOM 68 CB GLN A 5 -16.576 5.214 10.129 1.00 1.78 C ATOM 69 CG GLN A 5 -15.234 4.790 10.764 1.00 1.73 C ATOM 70 CD GLN A 5 -15.406 3.641 11.753 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.383 3.810 12.965 1.00 1.80 O ATOM 72 NE2 GLN A 5 -15.590 2.426 11.281 1.00 1.77 N ATOM 0 H GLN A 5 -15.539 7.411 9.457 1.00 1.72 H new ATOM 0 HA GLN A 5 -15.755 4.911 8.195 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.011 6.031 10.706 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -17.280 4.383 10.174 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -14.540 4.491 9.978 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -14.789 5.644 11.275 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -15.612 2.268 10.274 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -15.711 1.642 11.923 1.00 1.77 H new ATOM 81 N ALA A 6 -18.554 6.693 8.031 1.00 1.86 N ATOM 82 CA ALA A 6 -19.779 6.835 7.243 1.00 1.92 C ATOM 83 C ALA A 6 -19.507 6.809 5.726 1.00 1.90 C ATOM 84 O ALA A 6 -20.121 6.020 5.000 1.00 1.92 O ATOM 85 CB ALA A 6 -20.500 8.118 7.672 1.00 1.98 C ATOM 0 H ALA A 6 -18.396 7.457 8.688 1.00 1.86 H new ATOM 0 HA ALA A 6 -20.423 5.978 7.440 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -21.415 8.233 7.090 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -20.749 8.059 8.732 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -19.850 8.976 7.499 1.00 1.98 H new ATOM 91 N PHE A 7 -18.534 7.589 5.237 1.00 1.85 N ATOM 92 CA PHE A 7 -18.197 7.601 3.812 1.00 1.83 C ATOM 93 C PHE A 7 -17.420 6.358 3.347 1.00 1.77 C ATOM 94 O PHE A 7 -17.436 6.069 2.145 1.00 1.78 O ATOM 95 CB PHE A 7 -17.591 8.955 3.383 1.00 1.82 C ATOM 96 CG PHE A 7 -16.097 9.226 3.524 1.00 1.75 C ATOM 97 CD1 PHE A 7 -15.156 8.497 2.768 1.00 1.69 C ATOM 98 CD2 PHE A 7 -15.654 10.354 4.247 1.00 1.75 C ATOM 99 CE1 PHE A 7 -13.802 8.867 2.764 1.00 1.63 C ATOM 100 CE2 PHE A 7 -14.295 10.714 4.259 1.00 1.69 C ATOM 101 CZ PHE A 7 -13.364 9.965 3.521 1.00 1.63 C ATOM 0 H PHE A 7 -17.969 8.218 5.808 1.00 1.85 H new ATOM 0 HA PHE A 7 -19.134 7.516 3.261 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -17.844 9.100 2.333 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -18.111 9.730 3.946 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -15.480 7.646 2.187 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -16.368 10.948 4.798 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -13.093 8.304 2.175 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -13.967 11.566 4.836 1.00 1.69 H new ATOM 0 HZ PHE A 7 -12.318 10.232 3.536 1.00 1.63 H new ATOM 111 N LEU A 8 -16.864 5.544 4.265 1.00 1.73 N ATOM 112 CA LEU A 8 -16.290 4.261 3.826 1.00 1.69 C ATOM 113 C LEU A 8 -17.312 3.118 3.941 1.00 1.75 C ATOM 114 O LEU A 8 -17.124 2.084 3.309 1.00 1.73 O ATOM 115 CB LEU A 8 -15.001 3.962 4.616 1.00 1.63 C ATOM 116 CG LEU A 8 -13.725 3.911 3.761 1.00 1.56 C ATOM 117 CD1 LEU A 8 -13.674 2.611 2.966 1.00 1.55 C ATOM 118 CD2 LEU A 8 -13.535 5.115 2.833 1.00 1.55 C ATOM 0 H LEU A 8 -16.801 5.738 5.264 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.030 4.340 2.770 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -14.877 4.724 5.386 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -15.118 3.007 5.129 1.00 1.63 H new ATOM 0 HG LEU A 8 -12.894 3.952 4.466 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -12.765 2.588 2.365 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -13.677 1.764 3.652 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -14.544 2.550 2.312 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -12.611 4.996 2.268 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -14.377 5.179 2.143 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -13.482 6.027 3.427 1.00 1.55 H new ATOM 130 N VAL A 9 -18.414 3.303 4.683 1.00 1.81 N ATOM 131 CA VAL A 9 -19.566 2.382 4.616 1.00 1.87 C ATOM 132 C VAL A 9 -20.340 2.632 3.314 1.00 1.92 C ATOM 133 O VAL A 9 -20.749 1.683 2.637 1.00 1.94 O ATOM 134 CB VAL A 9 -20.467 2.519 5.862 1.00 1.93 C ATOM 135 CG1 VAL A 9 -21.822 1.810 5.716 1.00 2.01 C ATOM 136 CG2 VAL A 9 -19.770 1.899 7.082 1.00 1.91 C ATOM 0 H VAL A 9 -18.535 4.078 5.335 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.205 1.354 4.611 1.00 1.87 H new ATOM 0 HB VAL A 9 -20.641 3.588 5.983 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -22.404 1.947 6.627 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -22.365 2.234 4.871 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -21.659 0.746 5.546 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -20.412 1.999 7.958 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -19.577 0.843 6.893 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -18.826 2.414 7.263 1.00 1.91 H new ATOM 146 N ALA A 10 -20.458 3.897 2.898 1.00 1.93 N ATOM 147 CA ALA A 10 -20.974 4.239 1.573 1.00 1.97 C ATOM 148 C ALA A 10 -20.078 3.694 0.442 1.00 1.92 C ATOM 149 O ALA A 10 -20.597 3.066 -0.491 1.00 1.96 O ATOM 150 CB ALA A 10 -21.136 5.762 1.487 1.00 1.99 C ATOM 0 H ALA A 10 -20.201 4.704 3.466 1.00 1.93 H new ATOM 0 HA ALA A 10 -21.945 3.763 1.436 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -21.520 6.032 0.503 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -21.834 6.098 2.254 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -20.169 6.240 1.642 1.00 1.99 H new ATOM 156 N LEU A 11 -18.743 3.847 0.547 1.00 1.84 N ATOM 157 CA LEU A 11 -17.837 3.154 -0.377 1.00 1.80 C ATOM 158 C LEU A 11 -17.988 1.639 -0.283 1.00 1.80 C ATOM 159 O LEU A 11 -18.038 1.011 -1.328 1.00 1.82 O ATOM 160 CB LEU A 11 -16.361 3.536 -0.190 1.00 1.71 C ATOM 161 CG LEU A 11 -15.428 2.798 -1.185 1.00 1.67 C ATOM 162 CD1 LEU A 11 -15.695 3.121 -2.656 1.00 1.71 C ATOM 163 CD2 LEU A 11 -13.978 3.168 -0.912 1.00 1.59 C ATOM 0 H LEU A 11 -18.281 4.430 1.245 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.136 3.487 -1.371 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -16.248 4.612 -0.320 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.055 3.305 0.830 1.00 1.71 H new ATOM 0 HG LEU A 11 -15.630 1.739 -1.025 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -14.999 2.563 -3.283 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -16.717 2.841 -2.910 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -15.559 4.189 -2.824 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.330 2.645 -1.616 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -13.849 4.244 -1.030 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -13.715 2.881 0.106 1.00 1.59 H new ATOM 175 N TYR A 12 -18.085 1.033 0.903 1.00 1.80 N ATOM 176 CA TYR A 12 -18.255 -0.419 1.040 1.00 1.81 C ATOM 177 C TYR A 12 -19.450 -0.926 0.228 1.00 1.89 C ATOM 178 O TYR A 12 -19.299 -1.890 -0.526 1.00 1.89 O ATOM 179 CB TYR A 12 -18.372 -0.829 2.514 1.00 1.82 C ATOM 180 CG TYR A 12 -18.873 -2.246 2.736 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.171 -3.339 2.193 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.080 -2.462 3.432 1.00 1.94 C ATOM 183 CE1 TYR A 12 -18.679 -4.647 2.333 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.584 -3.767 3.584 1.00 1.99 C ATOM 185 CZ TYR A 12 -19.888 -4.864 3.030 1.00 1.96 C ATOM 186 OH TYR A 12 -20.384 -6.127 3.158 1.00 2.02 O ATOM 0 H TYR A 12 -18.048 1.531 1.793 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.360 -0.891 0.633 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.395 -0.725 2.986 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.045 -0.136 3.018 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.241 -3.175 1.668 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -20.619 -1.624 3.849 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.144 -5.483 1.907 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.504 -3.930 4.125 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.222 -6.100 3.666 1.00 2.02 H new ATOM 196 N LYS A 13 -20.600 -0.239 0.297 1.00 1.95 N ATOM 197 CA LYS A 13 -21.738 -0.546 -0.577 1.00 2.03 C ATOM 198 C LYS A 13 -21.380 -0.365 -2.054 1.00 2.02 C ATOM 199 O LYS A 13 -21.490 -1.337 -2.807 1.00 2.05 O ATOM 200 CB LYS A 13 -22.967 0.271 -0.139 1.00 2.10 C ATOM 201 CG LYS A 13 -24.232 -0.137 -0.910 1.00 2.18 C ATOM 202 CD LYS A 13 -25.482 0.649 -0.478 1.00 2.25 C ATOM 203 CE LYS A 13 -25.903 0.333 0.964 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.161 1.036 1.332 1.00 2.34 N ATOM 0 H LYS A 13 -20.765 0.530 0.947 1.00 1.95 H new ATOM 0 HA LYS A 13 -21.997 -1.600 -0.473 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.133 0.133 0.929 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -22.772 1.332 -0.297 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.065 0.015 -1.976 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.411 -1.202 -0.764 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.286 1.717 -0.571 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.305 0.416 -1.153 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.040 -0.742 1.077 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.107 0.626 1.649 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -27.416 0.800 2.312 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.022 2.063 1.248 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -27.925 0.737 0.694 1.00 2.34 H new ATOM 218 N TYR A 14 -20.898 0.810 -2.480 1.00 2.00 N ATOM 219 CA TYR A 14 -20.507 0.983 -3.886 1.00 2.00 C ATOM 220 C TYR A 14 -19.455 -0.011 -4.413 1.00 1.95 C ATOM 221 O TYR A 14 -19.597 -0.512 -5.527 1.00 1.99 O ATOM 222 CB TYR A 14 -20.026 2.430 -4.065 1.00 1.98 C ATOM 223 CG TYR A 14 -19.861 2.852 -5.513 1.00 2.01 C ATOM 224 CD1 TYR A 14 -20.994 3.223 -6.262 1.00 2.10 C ATOM 225 CD2 TYR A 14 -18.585 2.867 -6.112 1.00 1.96 C ATOM 226 CE1 TYR A 14 -20.860 3.604 -7.610 1.00 2.14 C ATOM 227 CE2 TYR A 14 -18.447 3.240 -7.466 1.00 1.99 C ATOM 228 CZ TYR A 14 -19.586 3.609 -8.216 1.00 2.09 C ATOM 229 OH TYR A 14 -19.452 3.936 -9.531 1.00 2.13 O ATOM 0 H TYR A 14 -20.772 1.633 -1.891 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.390 0.766 -4.488 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -20.736 3.100 -3.581 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.072 2.551 -3.551 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -21.970 3.215 -5.800 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -17.714 2.593 -5.535 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -21.731 3.892 -8.180 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -17.471 3.243 -7.929 1.00 1.99 H new ATOM 0 HH TYR A 14 -18.507 3.890 -9.785 1.00 2.13 H new ATOM 239 N MET A 15 -18.425 -0.344 -3.631 1.00 1.88 N ATOM 240 CA MET A 15 -17.358 -1.249 -4.056 1.00 1.83 C ATOM 241 C MET A 15 -17.813 -2.716 -4.039 1.00 1.86 C ATOM 242 O MET A 15 -17.401 -3.485 -4.908 1.00 1.86 O ATOM 243 CB MET A 15 -16.045 -0.975 -3.315 1.00 1.74 C ATOM 244 CG MET A 15 -15.983 -1.458 -1.868 1.00 1.72 C ATOM 245 SD MET A 15 -14.572 -0.827 -0.909 1.00 1.62 S ATOM 246 CE MET A 15 -13.172 -1.177 -2.013 1.00 1.57 C ATOM 0 H MET A 15 -18.309 0.009 -2.681 1.00 1.88 H new ATOM 0 HA MET A 15 -17.133 -1.039 -5.102 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.232 -1.444 -3.870 1.00 1.74 H new ATOM 0 HB3 MET A 15 -15.861 0.099 -3.327 1.00 1.74 H new ATOM 0 HG2 MET A 15 -16.905 -1.168 -1.364 1.00 1.72 H new ATOM 0 HG3 MET A 15 -15.947 -2.547 -1.865 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.259 -0.761 -1.586 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.060 -2.255 -2.128 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.356 -0.725 -2.988 1.00 1.57 H new ATOM 256 N LYS A 16 -18.739 -3.107 -3.143 1.00 1.90 N ATOM 257 CA LYS A 16 -19.408 -4.416 -3.230 1.00 1.96 C ATOM 258 C LYS A 16 -20.266 -4.518 -4.502 1.00 2.03 C ATOM 259 O LYS A 16 -20.220 -5.536 -5.189 1.00 2.05 O ATOM 260 CB LYS A 16 -20.210 -4.661 -1.942 1.00 1.99 C ATOM 261 CG LYS A 16 -20.809 -6.073 -1.889 1.00 2.05 C ATOM 262 CD LYS A 16 -21.135 -6.472 -0.443 1.00 2.07 C ATOM 263 CE LYS A 16 -21.780 -7.863 -0.412 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.790 -8.414 0.966 1.00 2.15 N ATOM 0 H LYS A 16 -19.039 -2.536 -2.353 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.662 -5.207 -3.313 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.562 -4.511 -1.079 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.011 -3.926 -1.870 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.714 -6.112 -2.495 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.107 -6.787 -2.319 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.225 -6.471 0.157 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -21.810 -5.740 0.001 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.800 -7.803 -0.791 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.233 -8.536 -1.073 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.377 -9.272 0.993 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.819 -8.650 1.253 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.182 -7.706 1.620 1.00 2.15 H new ATOM 278 N GLU A 17 -20.925 -3.423 -4.888 1.00 2.07 N ATOM 279 CA GLU A 17 -21.596 -3.312 -6.202 1.00 2.13 C ATOM 280 C GLU A 17 -20.609 -3.187 -7.399 1.00 2.10 C ATOM 281 O GLU A 17 -21.033 -3.112 -8.555 1.00 2.16 O ATOM 282 CB GLU A 17 -22.587 -2.131 -6.133 1.00 2.18 C ATOM 283 CG GLU A 17 -23.716 -2.199 -7.171 1.00 2.27 C ATOM 284 CD GLU A 17 -24.771 -1.106 -6.914 1.00 2.33 C ATOM 285 OE1 GLU A 17 -24.635 0.018 -7.456 1.00 2.34 O ATOM 286 OE2 GLU A 17 -25.754 -1.365 -6.177 1.00 2.37 O ATOM 0 H GLU A 17 -21.013 -2.588 -4.308 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.133 -4.240 -6.399 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.026 -2.097 -5.136 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.037 -1.200 -6.271 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.302 -2.081 -8.172 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.188 -3.181 -7.135 1.00 2.27 H new ATOM 293 N ARG A 18 -19.292 -3.188 -7.133 1.00 2.02 N ATOM 294 CA ARG A 18 -18.245 -3.201 -8.181 1.00 1.99 C ATOM 295 C ARG A 18 -17.341 -4.449 -8.095 1.00 1.95 C ATOM 296 O ARG A 18 -16.229 -4.455 -8.628 1.00 1.90 O ATOM 297 CB ARG A 18 -17.471 -1.856 -8.193 1.00 1.94 C ATOM 298 CG ARG A 18 -18.078 -0.810 -9.146 1.00 2.01 C ATOM 299 CD ARG A 18 -19.322 -0.099 -8.604 1.00 2.06 C ATOM 300 NE ARG A 18 -19.994 0.682 -9.659 1.00 2.13 N ATOM 301 CZ ARG A 18 -20.969 0.273 -10.454 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.479 -0.927 -10.393 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.452 1.078 -11.354 1.00 2.28 N ATOM 0 H ARG A 18 -18.918 -3.180 -6.184 1.00 2.02 H new ATOM 0 HA ARG A 18 -18.731 -3.287 -9.153 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.451 -1.448 -7.183 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.437 -2.043 -8.482 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.319 -0.062 -9.374 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.336 -1.300 -10.085 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.015 -0.834 -8.196 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.038 0.561 -7.784 1.00 2.06 H new ATOM 0 HE ARG A 18 -19.672 1.641 -9.790 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.126 -1.597 -9.710 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.230 -1.195 -11.029 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.079 2.023 -11.446 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -22.204 0.764 -11.968 1.00 2.28 H new ATOM 317 N LYS A 19 -17.819 -5.523 -7.444 1.00 1.97 N ATOM 318 CA LYS A 19 -17.170 -6.846 -7.307 1.00 1.95 C ATOM 319 C LYS A 19 -15.845 -6.767 -6.537 1.00 1.86 C ATOM 320 O LYS A 19 -14.986 -7.649 -6.642 1.00 1.84 O ATOM 321 CB LYS A 19 -17.048 -7.551 -8.677 1.00 1.99 C ATOM 322 CG LYS A 19 -18.397 -7.688 -9.404 1.00 2.09 C ATOM 323 CD LYS A 19 -18.234 -8.414 -10.746 1.00 2.13 C ATOM 324 CE LYS A 19 -19.584 -8.501 -11.467 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.460 -9.176 -12.786 1.00 2.27 N ATOM 0 H LYS A 19 -18.722 -5.493 -6.970 1.00 1.97 H new ATOM 0 HA LYS A 19 -17.817 -7.474 -6.694 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.357 -6.991 -9.307 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.617 -8.542 -8.533 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.098 -8.236 -8.774 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -18.824 -6.699 -9.572 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.514 -7.884 -11.369 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -17.836 -9.415 -10.580 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.294 -9.045 -10.845 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -19.987 -7.498 -11.608 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.393 -9.216 -13.244 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -18.801 -8.643 -13.388 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.099 -10.142 -12.649 1.00 2.27 H new ATOM 339 N THR A 20 -15.709 -5.708 -5.733 1.00 1.82 N ATOM 340 CA THR A 20 -14.482 -5.429 -4.988 1.00 1.73 C ATOM 341 C THR A 20 -14.802 -5.014 -3.540 1.00 1.72 C ATOM 342 O THR A 20 -14.424 -3.921 -3.124 1.00 1.68 O ATOM 343 CB THR A 20 -13.601 -4.388 -5.727 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.498 -4.685 -7.106 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.156 -4.353 -5.220 1.00 1.61 C ATOM 0 H THR A 20 -16.448 -5.021 -5.582 1.00 1.82 H new ATOM 0 HA THR A 20 -13.896 -6.346 -4.932 1.00 1.73 H new ATOM 0 HB THR A 20 -14.098 -3.436 -5.541 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.365 -4.536 -7.538 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.593 -3.605 -5.778 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.148 -4.098 -4.160 1.00 1.61 H new ATOM 0 HG23 THR A 20 -11.697 -5.332 -5.361 1.00 1.61 H new ATOM 353 N PRO A 21 -15.550 -5.820 -2.755 1.00 1.76 N ATOM 354 CA PRO A 21 -15.916 -5.477 -1.375 1.00 1.76 C ATOM 355 C PRO A 21 -14.699 -5.432 -0.432 1.00 1.69 C ATOM 356 O PRO A 21 -13.686 -6.087 -0.672 1.00 1.66 O ATOM 357 CB PRO A 21 -16.903 -6.568 -0.947 1.00 1.84 C ATOM 358 CG PRO A 21 -16.468 -7.783 -1.761 1.00 1.85 C ATOM 359 CD PRO A 21 -16.046 -7.151 -3.085 1.00 1.82 C ATOM 0 HA PRO A 21 -16.347 -4.477 -1.322 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -16.847 -6.762 0.124 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -17.933 -6.286 -1.166 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.646 -8.318 -1.285 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.281 -8.497 -1.892 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.273 -7.746 -3.572 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -16.887 -7.094 -3.776 1.00 1.82 H new ATOM 367 N ILE A 22 -14.838 -4.751 0.712 1.00 1.68 N ATOM 368 CA ILE A 22 -13.838 -4.829 1.808 1.00 1.64 C ATOM 369 C ILE A 22 -13.687 -6.286 2.323 1.00 1.67 C ATOM 370 O ILE A 22 -12.640 -6.683 2.826 1.00 1.64 O ATOM 371 CB ILE A 22 -14.199 -3.798 2.912 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.093 -2.375 2.327 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.305 -3.937 4.159 1.00 1.61 C ATOM 374 CD1 ILE A 22 -14.500 -1.245 3.280 1.00 1.62 C ATOM 0 H ILE A 22 -15.628 -4.138 0.912 1.00 1.68 H new ATOM 0 HA ILE A 22 -12.850 -4.558 1.435 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.221 -3.993 3.237 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.065 -2.206 2.008 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -14.717 -2.319 1.435 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.597 -3.194 4.901 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.421 -4.936 4.580 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.263 -3.780 3.879 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.390 -0.286 2.775 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -15.539 -1.380 3.581 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -13.861 -1.265 4.163 1.00 1.62 H new ATOM 386 N GLU A 23 -14.723 -7.098 2.089 1.00 1.74 N ATOM 387 CA GLU A 23 -14.661 -8.562 2.280 1.00 1.78 C ATOM 388 C GLU A 23 -13.512 -9.285 1.520 1.00 1.75 C ATOM 389 O GLU A 23 -13.211 -10.435 1.853 1.00 1.78 O ATOM 390 CB GLU A 23 -16.016 -9.208 1.943 1.00 1.87 C ATOM 391 CG GLU A 23 -17.158 -8.699 2.831 1.00 1.91 C ATOM 392 CD GLU A 23 -18.456 -9.476 2.555 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.191 -9.112 1.606 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.755 -10.455 3.284 1.00 2.06 O ATOM 0 H GLU A 23 -15.630 -6.765 1.762 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.428 -8.696 3.336 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.258 -9.009 0.899 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -15.934 -10.290 2.050 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -16.883 -8.804 3.880 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.320 -7.637 2.649 1.00 1.91 H new ATOM 401 N ARG A 24 -12.820 -8.633 0.562 1.00 1.69 N ATOM 402 CA ARG A 24 -11.581 -9.129 -0.092 1.00 1.65 C ATOM 403 C ARG A 24 -10.318 -8.301 0.234 1.00 1.57 C ATOM 404 O ARG A 24 -9.274 -8.489 -0.393 1.00 1.53 O ATOM 405 CB ARG A 24 -11.815 -9.356 -1.605 1.00 1.67 C ATOM 406 CG ARG A 24 -11.613 -8.128 -2.517 1.00 1.62 C ATOM 407 CD ARG A 24 -12.149 -8.360 -3.940 1.00 1.67 C ATOM 408 NE ARG A 24 -11.405 -9.408 -4.665 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.673 -9.881 -5.872 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.675 -9.465 -6.596 1.00 1.77 N ATOM 411 NH2 ARG A 24 -10.912 -10.804 -6.389 1.00 1.72 N ATOM 0 H ARG A 24 -13.112 -7.722 0.209 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.356 -10.101 0.347 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.144 -10.146 -1.941 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.832 -9.722 -1.743 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.116 -7.266 -2.078 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.551 -7.886 -2.566 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.201 -8.638 -3.886 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.094 -7.427 -4.501 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.599 -9.810 -4.186 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.297 -8.741 -6.237 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.836 -9.864 -7.521 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.113 -11.160 -5.864 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.115 -11.171 -7.319 1.00 1.72 H new ATOM 425 N ILE A 25 -10.398 -7.414 1.229 1.00 1.55 N ATOM 426 CA ILE A 25 -9.348 -6.481 1.680 1.00 1.48 C ATOM 427 C ILE A 25 -9.179 -6.635 3.213 1.00 1.49 C ATOM 428 O ILE A 25 -9.677 -5.815 3.990 1.00 1.50 O ATOM 429 CB ILE A 25 -9.666 -5.023 1.250 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.135 -4.900 -0.222 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.397 -4.173 1.463 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.544 -3.479 -0.629 1.00 1.45 C ATOM 0 H ILE A 25 -11.251 -7.318 1.780 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.399 -6.724 1.202 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.496 -4.670 1.862 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.333 -5.238 -0.878 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -10.980 -5.570 -0.381 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -8.595 -3.143 1.168 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.113 -4.201 2.515 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.584 -4.574 0.857 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -10.859 -3.476 -1.672 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.368 -3.143 0.000 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -9.695 -2.806 -0.505 1.00 1.45 H new ATOM 444 N PRO A 26 -8.648 -7.784 3.652 1.00 1.53 N ATOM 445 CA PRO A 26 -8.618 -8.145 5.071 1.00 1.57 C ATOM 446 C PRO A 26 -7.747 -7.332 6.011 1.00 1.52 C ATOM 447 O PRO A 26 -8.227 -6.928 7.069 1.00 1.50 O ATOM 448 CB PRO A 26 -8.176 -9.604 5.077 1.00 1.62 C ATOM 449 CG PRO A 26 -7.521 -9.849 3.761 1.00 1.59 C ATOM 450 CD PRO A 26 -8.012 -8.798 2.804 1.00 1.55 C ATOM 0 HA PRO A 26 -9.609 -7.940 5.477 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -7.485 -9.797 5.897 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -9.029 -10.268 5.216 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.436 -9.801 3.859 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -7.764 -10.846 3.392 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.190 -8.373 2.228 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.720 -9.215 2.088 1.00 1.55 H new ATOM 458 N TYR A 27 -6.494 -7.077 5.680 1.00 1.52 N ATOM 459 CA TYR A 27 -5.663 -6.373 6.643 1.00 1.49 C ATOM 460 C TYR A 27 -4.821 -5.243 6.073 1.00 1.38 C ATOM 461 O TYR A 27 -4.774 -4.980 4.872 1.00 1.34 O ATOM 462 CB TYR A 27 -4.704 -7.345 7.355 1.00 1.61 C ATOM 463 CG TYR A 27 -5.041 -8.820 7.237 1.00 1.65 C ATOM 464 CD1 TYR A 27 -4.686 -9.545 6.104 1.00 1.76 C ATOM 465 CD2 TYR A 27 -5.687 -9.494 8.268 1.00 1.91 C ATOM 466 CE1 TYR A 27 -4.972 -10.894 5.999 1.00 2.09 C ATOM 467 CE2 TYR A 27 -5.973 -10.844 8.170 1.00 2.21 C ATOM 468 CZ TYR A 27 -5.613 -11.538 7.035 1.00 2.29 C ATOM 469 OH TYR A 27 -5.901 -12.880 6.934 1.00 2.75 O ATOM 0 H TYR A 27 -6.046 -7.330 4.800 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.385 -5.929 7.329 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.701 -7.189 6.959 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.673 -7.083 8.413 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.178 -9.046 5.292 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -5.970 -8.955 9.160 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -4.694 -11.440 5.110 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -6.476 -11.352 8.979 1.00 2.21 H new ATOM 0 HH TYR A 27 -6.353 -13.180 7.750 1.00 2.75 H new ATOM 479 N LEU A 28 -4.160 -4.597 7.023 1.00 1.39 N ATOM 480 CA LEU A 28 -3.215 -3.518 6.820 1.00 1.35 C ATOM 481 C LEU A 28 -1.830 -4.135 6.995 1.00 1.35 C ATOM 482 O LEU A 28 -1.736 -5.239 7.536 1.00 1.38 O ATOM 483 CB LEU A 28 -3.470 -2.424 7.855 1.00 1.42 C ATOM 484 CG LEU A 28 -2.652 -1.147 7.723 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.141 -0.322 6.550 1.00 1.58 C ATOM 486 CD2 LEU A 28 -2.732 -0.345 9.012 1.00 1.77 C ATOM 0 H LEU A 28 -4.278 -4.828 8.009 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.308 -3.061 5.835 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.526 -2.156 7.813 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -3.287 -2.844 8.844 1.00 1.42 H new ATOM 0 HG LEU A 28 -1.611 -1.413 7.540 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -2.545 0.587 6.471 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.043 -0.901 5.632 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -4.187 -0.058 6.702 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -2.144 0.567 8.910 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -3.771 -0.086 9.216 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -2.338 -0.940 9.836 1.00 1.77 H new ATOM 583 N ASN A 34 -8.535 -0.396 9.221 1.00 1.56 N ATOM 584 CA ASN A 34 -8.715 0.949 9.829 1.00 1.58 C ATOM 585 C ASN A 34 -8.338 2.073 8.850 1.00 1.57 C ATOM 586 O ASN A 34 -7.289 2.702 8.989 1.00 1.91 O ATOM 587 CB ASN A 34 -7.884 1.067 11.113 1.00 1.60 C ATOM 588 CG ASN A 34 -8.234 -0.003 12.130 1.00 1.73 C ATOM 589 OD1 ASN A 34 -7.553 -1.022 12.240 1.00 2.14 O ATOM 590 ND2 ASN A 34 -9.317 0.214 12.867 1.00 2.10 N ATOM 0 HA ASN A 34 -9.772 1.061 10.072 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -6.825 0.996 10.865 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -8.042 2.050 11.556 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -9.612 -0.478 13.556 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -9.854 1.073 12.744 1.00 2.10 H new ATOM 597 N LEU A 35 -9.212 2.328 7.875 1.00 1.38 N ATOM 598 CA LEU A 35 -8.941 3.315 6.823 1.00 1.34 C ATOM 599 C LEU A 35 -8.717 4.740 7.321 1.00 1.32 C ATOM 600 O LEU A 35 -7.712 5.353 6.972 1.00 1.28 O ATOM 601 CB LEU A 35 -10.071 3.326 5.802 1.00 1.40 C ATOM 602 CG LEU A 35 -9.978 4.451 4.770 1.00 1.43 C ATOM 603 CD1 LEU A 35 -10.174 3.910 3.372 1.00 1.47 C ATOM 604 CD2 LEU A 35 -10.990 5.551 5.069 1.00 1.52 C ATOM 0 H LEU A 35 -10.117 1.864 7.790 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.002 2.992 6.374 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -10.081 2.370 5.279 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.021 3.411 6.330 1.00 1.40 H new ATOM 0 HG LEU A 35 -8.980 4.885 4.833 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -10.104 4.726 2.653 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -9.403 3.170 3.157 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -11.156 3.443 3.297 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -10.903 6.339 4.321 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -11.997 5.135 5.043 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -10.794 5.967 6.057 1.00 1.52 H new ATOM 616 N TRP A 36 -9.670 5.275 8.084 1.00 1.37 N ATOM 617 CA TRP A 36 -9.585 6.653 8.589 1.00 1.37 C ATOM 618 C TRP A 36 -8.170 7.017 9.106 1.00 1.32 C ATOM 619 O TRP A 36 -7.738 8.162 8.990 1.00 1.31 O ATOM 620 CB TRP A 36 -10.640 6.893 9.682 1.00 1.45 C ATOM 621 CG TRP A 36 -10.659 5.855 10.767 1.00 1.50 C ATOM 622 CD1 TRP A 36 -11.199 4.603 10.696 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.137 5.990 12.095 1.00 1.53 C ATOM 624 NE1 TRP A 36 -11.018 3.941 11.885 1.00 1.61 N ATOM 625 CE2 TRP A 36 -10.371 4.772 12.761 1.00 1.60 C ATOM 626 CE3 TRP A 36 -9.484 7.019 12.782 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -9.979 4.557 14.078 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.096 6.804 14.090 1.00 1.61 C ATOM 629 CH2 TRP A 36 -9.341 5.579 14.725 1.00 1.66 C ATOM 0 H TRP A 36 -10.513 4.777 8.369 1.00 1.37 H new ATOM 0 HA TRP A 36 -9.789 7.311 7.745 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -10.462 7.869 10.133 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -11.625 6.932 9.217 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -11.697 4.193 9.830 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -11.317 2.986 12.084 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.287 7.964 12.298 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -10.172 3.616 14.572 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -8.596 7.593 14.632 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -9.019 5.439 15.746 1.00 1.66 H new ATOM 640 N THR A 37 -7.477 6.026 9.671 1.00 1.32 N ATOM 641 CA THR A 37 -6.111 6.163 10.211 1.00 1.29 C ATOM 642 C THR A 37 -5.047 6.223 9.110 1.00 1.23 C ATOM 643 O THR A 37 -4.238 7.147 9.118 1.00 1.21 O ATOM 644 CB THR A 37 -5.773 5.028 11.193 1.00 1.34 C ATOM 645 OG1 THR A 37 -6.677 5.043 12.276 1.00 1.41 O ATOM 646 CG2 THR A 37 -4.379 5.159 11.813 1.00 1.35 C ATOM 0 H THR A 37 -7.853 5.083 9.771 1.00 1.32 H new ATOM 0 HA THR A 37 -6.097 7.112 10.746 1.00 1.29 H new ATOM 0 HB THR A 37 -5.828 4.111 10.606 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.314 5.778 12.160 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.205 4.327 12.495 1.00 1.35 H new ATOM 0 HG22 THR A 37 -3.627 5.145 11.024 1.00 1.35 H new ATOM 0 HG23 THR A 37 -4.312 6.098 12.362 1.00 1.35 H new ATOM 654 N MET A 38 -5.043 5.305 8.131 1.00 1.20 N ATOM 655 CA MET A 38 -4.106 5.419 6.992 1.00 1.15 C ATOM 656 C MET A 38 -4.362 6.686 6.154 1.00 1.13 C ATOM 657 O MET A 38 -3.422 7.267 5.613 1.00 1.11 O ATOM 658 CB MET A 38 -4.071 4.158 6.110 1.00 1.14 C ATOM 659 CG MET A 38 -5.407 3.772 5.472 1.00 1.17 C ATOM 660 SD MET A 38 -5.258 2.797 3.951 1.00 1.17 S ATOM 661 CE MET A 38 -6.227 1.322 4.366 1.00 1.25 C ATOM 0 H MET A 38 -5.660 4.493 8.099 1.00 1.20 H new ATOM 0 HA MET A 38 -3.115 5.513 7.435 1.00 1.15 H new ATOM 0 HB2 MET A 38 -3.338 4.309 5.317 1.00 1.14 H new ATOM 0 HB3 MET A 38 -3.720 3.321 6.714 1.00 1.14 H new ATOM 0 HG2 MET A 38 -5.991 3.205 6.197 1.00 1.17 H new ATOM 0 HG3 MET A 38 -5.967 4.681 5.253 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.222 0.634 3.521 1.00 1.25 H new ATOM 0 HE2 MET A 38 -5.789 0.832 5.236 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.253 1.612 4.592 1.00 1.25 H new ATOM 671 N PHE A 39 -5.617 7.147 6.107 1.00 1.17 N ATOM 672 CA PHE A 39 -5.964 8.427 5.497 1.00 1.19 C ATOM 673 C PHE A 39 -5.335 9.611 6.231 1.00 1.20 C ATOM 674 O PHE A 39 -4.529 10.320 5.632 1.00 1.20 O ATOM 675 CB PHE A 39 -7.481 8.588 5.389 1.00 1.25 C ATOM 676 CG PHE A 39 -7.879 9.927 4.793 1.00 1.30 C ATOM 677 CD1 PHE A 39 -7.552 10.223 3.455 1.00 1.30 C ATOM 678 CD2 PHE A 39 -8.529 10.894 5.583 1.00 1.36 C ATOM 679 CE1 PHE A 39 -7.886 11.470 2.902 1.00 1.37 C ATOM 680 CE2 PHE A 39 -8.850 12.150 5.034 1.00 1.43 C ATOM 681 CZ PHE A 39 -8.525 12.438 3.696 1.00 1.44 C ATOM 0 H PHE A 39 -6.416 6.642 6.491 1.00 1.17 H new ATOM 0 HA PHE A 39 -5.547 8.423 4.490 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -7.886 7.785 4.774 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -7.926 8.487 6.379 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.042 9.487 2.851 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -8.781 10.673 6.610 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -7.653 11.685 1.870 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -9.346 12.893 5.641 1.00 1.43 H new ATOM 0 HZ PHE A 39 -8.767 13.404 3.278 1.00 1.44 H new ATOM 691 N GLN A 40 -5.630 9.825 7.522 1.00 1.24 N ATOM 692 CA GLN A 40 -5.026 10.965 8.238 1.00 1.27 C ATOM 693 C GLN A 40 -3.490 10.867 8.330 1.00 1.25 C ATOM 694 O GLN A 40 -2.812 11.895 8.321 1.00 1.28 O ATOM 695 CB GLN A 40 -5.698 11.164 9.607 1.00 1.33 C ATOM 696 CG GLN A 40 -5.301 10.102 10.641 1.00 1.33 C ATOM 697 CD GLN A 40 -6.258 10.057 11.825 1.00 1.39 C ATOM 698 OE1 GLN A 40 -6.000 10.579 12.901 1.00 1.44 O ATOM 699 NE2 GLN A 40 -7.393 9.413 11.666 1.00 1.40 N ATOM 0 H GLN A 40 -6.260 9.248 8.078 1.00 1.24 H new ATOM 0 HA GLN A 40 -5.216 11.862 7.649 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -5.437 12.150 9.991 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -6.780 11.148 9.478 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -5.275 9.124 10.161 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -4.293 10.308 11.000 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -7.611 8.977 10.770 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -8.056 9.350 12.439 1.00 1.40 H new ATOM 708 N ALA A 41 -2.926 9.652 8.330 1.00 1.21 N ATOM 709 CA ALA A 41 -1.489 9.434 8.186 1.00 1.20 C ATOM 710 C ALA A 41 -0.971 9.923 6.824 1.00 1.18 C ATOM 711 O ALA A 41 -0.068 10.757 6.782 1.00 1.21 O ATOM 712 CB ALA A 41 -1.179 7.949 8.408 1.00 1.18 C ATOM 0 H ALA A 41 -3.462 8.790 8.431 1.00 1.21 H new ATOM 0 HA ALA A 41 -0.967 10.022 8.941 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -0.107 7.781 8.302 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -1.494 7.657 9.410 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -1.715 7.351 7.671 1.00 1.18 H new ATOM 718 N ALA A 42 -1.574 9.497 5.710 1.00 1.14 N ATOM 719 CA ALA A 42 -1.226 9.989 4.378 1.00 1.14 C ATOM 720 C ALA A 42 -1.362 11.515 4.259 1.00 1.20 C ATOM 721 O ALA A 42 -0.506 12.155 3.662 1.00 1.23 O ATOM 722 CB ALA A 42 -2.078 9.267 3.328 1.00 1.11 C ATOM 0 H ALA A 42 -2.318 8.800 5.709 1.00 1.14 H new ATOM 0 HA ALA A 42 -0.174 9.768 4.201 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -1.819 9.633 2.335 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -1.888 8.195 3.380 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -3.133 9.459 3.522 1.00 1.11 H new ATOM 728 N GLN A 43 -2.386 12.110 4.882 1.00 1.23 N ATOM 729 CA GLN A 43 -2.592 13.563 4.850 1.00 1.31 C ATOM 730 C GLN A 43 -1.523 14.328 5.658 1.00 1.35 C ATOM 731 O GLN A 43 -1.223 15.480 5.339 1.00 1.42 O ATOM 732 CB GLN A 43 -4.012 13.922 5.322 1.00 1.35 C ATOM 733 CG GLN A 43 -5.128 13.418 4.383 1.00 1.35 C ATOM 734 CD GLN A 43 -4.991 13.897 2.935 1.00 1.38 C ATOM 735 OE1 GLN A 43 -4.786 15.070 2.650 1.00 1.45 O ATOM 736 NE2 GLN A 43 -5.077 13.013 1.965 1.00 1.35 N ATOM 0 H GLN A 43 -3.090 11.603 5.418 1.00 1.23 H new ATOM 0 HA GLN A 43 -2.483 13.880 3.813 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -4.171 13.504 6.316 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -4.091 15.005 5.415 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -5.133 12.328 4.395 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -6.092 13.746 4.773 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -5.247 12.031 2.183 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -4.973 13.309 0.994 1.00 1.35 H new ATOM 745 N LYS A 44 -0.896 13.666 6.642 1.00 1.33 N ATOM 746 CA LYS A 44 0.266 14.225 7.355 1.00 1.39 C ATOM 747 C LYS A 44 1.541 14.066 6.525 1.00 1.39 C ATOM 748 O LYS A 44 2.278 15.034 6.334 1.00 1.45 O ATOM 749 CB LYS A 44 0.374 13.542 8.729 1.00 1.39 C ATOM 750 CG LYS A 44 1.397 14.230 9.644 1.00 1.47 C ATOM 751 CD LYS A 44 1.600 13.486 10.970 1.00 1.49 C ATOM 752 CE LYS A 44 0.288 13.286 11.743 1.00 1.49 C ATOM 753 NZ LYS A 44 0.544 12.716 13.089 1.00 1.53 N ATOM 0 H LYS A 44 -1.175 12.739 6.964 1.00 1.33 H new ATOM 0 HA LYS A 44 0.133 15.296 7.509 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -0.603 13.547 9.212 1.00 1.39 H new ATOM 0 HB3 LYS A 44 0.657 12.498 8.592 1.00 1.39 H new ATOM 0 HG2 LYS A 44 2.352 14.304 9.124 1.00 1.47 H new ATOM 0 HG3 LYS A 44 1.067 15.248 9.850 1.00 1.47 H new ATOM 0 HD2 LYS A 44 2.052 12.514 10.771 1.00 1.49 H new ATOM 0 HD3 LYS A 44 2.302 14.043 11.591 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -0.229 14.240 11.841 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -0.371 12.622 11.183 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -0.359 12.591 13.590 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 1.017 11.795 12.992 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 1.153 13.362 13.630 1.00 1.53 H new ATOM 767 N LEU A 45 1.740 12.868 5.972 1.00 1.32 N ATOM 768 CA LEU A 45 2.839 12.597 5.034 1.00 1.32 C ATOM 769 C LEU A 45 2.646 13.225 3.614 1.00 1.34 C ATOM 770 O LEU A 45 3.404 12.892 2.699 1.00 1.34 O ATOM 771 CB LEU A 45 3.148 11.068 5.034 1.00 1.27 C ATOM 772 CG LEU A 45 3.842 10.426 6.275 1.00 1.30 C ATOM 773 CD1 LEU A 45 5.028 11.256 6.771 1.00 1.39 C ATOM 774 CD2 LEU A 45 2.921 10.177 7.466 1.00 1.29 C ATOM 0 H LEU A 45 1.148 12.059 6.159 1.00 1.32 H new ATOM 0 HA LEU A 45 3.728 13.118 5.390 1.00 1.32 H new ATOM 0 HB2 LEU A 45 2.205 10.544 4.879 1.00 1.27 H new ATOM 0 HB3 LEU A 45 3.774 10.861 4.166 1.00 1.27 H new ATOM 0 HG LEU A 45 4.176 9.460 5.897 1.00 1.30 H new ATOM 0 HD11 LEU A 45 5.477 10.768 7.636 1.00 1.39 H new ATOM 0 HD12 LEU A 45 5.770 11.342 5.977 1.00 1.39 H new ATOM 0 HD13 LEU A 45 4.683 12.250 7.054 1.00 1.39 H new ATOM 0 HD21 LEU A 45 3.491 9.729 8.280 1.00 1.29 H new ATOM 0 HD22 LEU A 45 2.494 11.123 7.800 1.00 1.29 H new ATOM 0 HD23 LEU A 45 2.119 9.501 7.170 1.00 1.29 H new ATOM 786 N GLY A 46 1.684 14.149 3.426 1.00 1.36 N ATOM 787 CA GLY A 46 1.625 14.981 2.194 1.00 1.42 C ATOM 788 C GLY A 46 0.569 14.610 1.132 1.00 1.40 C ATOM 789 O GLY A 46 0.727 14.912 -0.053 1.00 1.44 O ATOM 0 H GLY A 46 0.942 14.342 4.099 1.00 1.36 H new ATOM 0 HA2 GLY A 46 1.451 16.014 2.494 1.00 1.42 H new ATOM 0 HA3 GLY A 46 2.605 14.948 1.719 1.00 1.42 H new ATOM 793 N GLY A 47 -0.498 13.954 1.584 1.00 1.34 N ATOM 794 CA GLY A 47 -1.496 13.334 0.718 1.00 1.32 C ATOM 795 C GLY A 47 -0.931 12.243 -0.198 1.00 1.28 C ATOM 796 O GLY A 47 0.283 12.047 -0.314 1.00 1.27 O ATOM 0 H GLY A 47 -0.696 13.837 2.578 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -2.283 12.903 1.337 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -1.960 14.106 0.104 1.00 1.32 H new ATOM 800 N TYR A 48 -1.831 11.561 -0.908 1.00 1.27 N ATOM 801 CA TYR A 48 -1.444 10.619 -1.968 1.00 1.26 C ATOM 802 C TYR A 48 -0.496 11.227 -3.026 1.00 1.32 C ATOM 803 O TYR A 48 0.237 10.499 -3.695 1.00 1.31 O ATOM 804 CB TYR A 48 -2.713 10.059 -2.621 1.00 1.28 C ATOM 805 CG TYR A 48 -2.490 8.815 -3.463 1.00 1.26 C ATOM 806 CD1 TYR A 48 -2.387 7.558 -2.837 1.00 1.20 C ATOM 807 CD2 TYR A 48 -2.396 8.912 -4.865 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.227 6.391 -3.608 1.00 1.21 C ATOM 809 CE2 TYR A 48 -2.218 7.750 -5.639 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.144 6.487 -5.015 1.00 1.27 C ATOM 811 OH TYR A 48 -1.998 5.370 -5.775 1.00 1.29 O ATOM 0 H TYR A 48 -2.838 11.642 -0.770 1.00 1.27 H new ATOM 0 HA TYR A 48 -0.872 9.817 -1.501 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -3.437 9.829 -1.840 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -3.156 10.833 -3.248 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -2.431 7.489 -1.760 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -2.460 9.877 -5.346 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.168 5.426 -3.126 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.138 7.825 -6.713 1.00 1.33 H new ATOM 0 HH TYR A 48 -1.960 5.621 -6.722 1.00 1.29 H new ATOM 821 N GLU A 49 -0.466 12.557 -3.170 1.00 1.39 N ATOM 822 CA GLU A 49 0.351 13.213 -4.202 1.00 1.47 C ATOM 823 C GLU A 49 1.838 13.271 -3.832 1.00 1.46 C ATOM 824 O GLU A 49 2.679 12.862 -4.637 1.00 1.48 O ATOM 825 CB GLU A 49 -0.196 14.618 -4.486 1.00 1.57 C ATOM 826 CG GLU A 49 -1.482 14.529 -5.319 1.00 1.61 C ATOM 827 CD GLU A 49 -2.179 15.891 -5.425 1.00 1.71 C ATOM 828 OE1 GLU A 49 -1.681 16.793 -6.144 1.00 1.80 O ATOM 829 OE2 GLU A 49 -3.253 16.051 -4.797 1.00 1.72 O ATOM 0 H GLU A 49 -0.998 13.202 -2.585 1.00 1.39 H new ATOM 0 HA GLU A 49 0.282 12.608 -5.106 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -0.397 15.134 -3.547 1.00 1.57 H new ATOM 0 HB3 GLU A 49 0.551 15.206 -5.019 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -1.245 14.162 -6.318 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -2.161 13.806 -4.866 1.00 1.61 H new ATOM 836 N THR A 50 2.186 13.686 -2.606 1.00 1.44 N ATOM 837 CA THR A 50 3.565 13.561 -2.103 1.00 1.45 C ATOM 838 C THR A 50 3.956 12.089 -1.985 1.00 1.37 C ATOM 839 O THR A 50 5.078 11.719 -2.327 1.00 1.40 O ATOM 840 CB THR A 50 3.770 14.261 -0.751 1.00 1.46 C ATOM 841 OG1 THR A 50 3.402 15.621 -0.850 1.00 1.54 O ATOM 842 CG2 THR A 50 5.227 14.246 -0.284 1.00 1.50 C ATOM 0 H THR A 50 1.535 14.110 -1.945 1.00 1.44 H new ATOM 0 HA THR A 50 4.209 14.059 -2.828 1.00 1.45 H new ATOM 0 HB THR A 50 3.154 13.712 -0.039 1.00 1.46 H new ATOM 0 HG1 THR A 50 2.459 15.723 -0.604 1.00 1.54 H new ATOM 0 HG21 THR A 50 5.307 14.755 0.676 1.00 1.50 H new ATOM 0 HG22 THR A 50 5.564 13.215 -0.177 1.00 1.50 H new ATOM 0 HG23 THR A 50 5.850 14.757 -1.018 1.00 1.50 H new ATOM 850 N ILE A 51 3.012 11.229 -1.587 1.00 1.30 N ATOM 851 CA ILE A 51 3.224 9.774 -1.568 1.00 1.24 C ATOM 852 C ILE A 51 3.646 9.231 -2.944 1.00 1.27 C ATOM 853 O ILE A 51 4.602 8.462 -3.025 1.00 1.27 O ATOM 854 CB ILE A 51 1.961 9.091 -0.978 1.00 1.18 C ATOM 855 CG1 ILE A 51 2.166 8.699 0.497 1.00 1.14 C ATOM 856 CG2 ILE A 51 1.479 7.863 -1.759 1.00 1.15 C ATOM 857 CD1 ILE A 51 2.197 9.911 1.440 1.00 1.17 C ATOM 0 H ILE A 51 2.086 11.517 -1.271 1.00 1.30 H new ATOM 0 HA ILE A 51 4.065 9.532 -0.919 1.00 1.24 H new ATOM 0 HB ILE A 51 1.182 9.849 -1.062 1.00 1.18 H new ATOM 0 HG12 ILE A 51 1.364 8.027 0.804 1.00 1.14 H new ATOM 0 HG13 ILE A 51 3.100 8.146 0.594 1.00 1.14 H new ATOM 0 HG21 ILE A 51 0.593 7.450 -1.277 1.00 1.15 H new ATOM 0 HG22 ILE A 51 1.234 8.155 -2.780 1.00 1.15 H new ATOM 0 HG23 ILE A 51 2.267 7.110 -1.776 1.00 1.15 H new ATOM 0 HD11 ILE A 51 2.344 9.571 2.465 1.00 1.17 H new ATOM 0 HD12 ILE A 51 3.016 10.572 1.156 1.00 1.17 H new ATOM 0 HD13 ILE A 51 1.253 10.451 1.369 1.00 1.17 H new ATOM 869 N THR A 52 2.982 9.649 -4.019 1.00 1.30 N ATOM 870 CA THR A 52 3.321 9.191 -5.380 1.00 1.35 C ATOM 871 C THR A 52 4.616 9.820 -5.890 1.00 1.42 C ATOM 872 O THR A 52 5.417 9.135 -6.530 1.00 1.45 O ATOM 873 CB THR A 52 2.157 9.473 -6.341 1.00 1.39 C ATOM 874 OG1 THR A 52 1.034 8.746 -5.890 1.00 1.34 O ATOM 875 CG2 THR A 52 2.414 9.001 -7.773 1.00 1.45 C ATOM 0 H THR A 52 2.203 10.306 -3.982 1.00 1.30 H new ATOM 0 HA THR A 52 3.487 8.115 -5.336 1.00 1.35 H new ATOM 0 HB THR A 52 2.017 10.554 -6.351 1.00 1.39 H new ATOM 0 HG1 THR A 52 0.630 9.209 -5.126 1.00 1.34 H new ATOM 0 HG21 THR A 52 1.549 9.234 -8.394 1.00 1.45 H new ATOM 0 HG22 THR A 52 3.293 9.508 -8.171 1.00 1.45 H new ATOM 0 HG23 THR A 52 2.584 7.924 -7.776 1.00 1.45 H new ATOM 883 N ALA A 53 4.870 11.085 -5.548 1.00 1.47 N ATOM 884 CA ALA A 53 6.122 11.757 -5.895 1.00 1.55 C ATOM 885 C ALA A 53 7.357 11.214 -5.138 1.00 1.54 C ATOM 886 O ALA A 53 8.476 11.390 -5.633 1.00 1.61 O ATOM 887 CB ALA A 53 5.939 13.257 -5.635 1.00 1.61 C ATOM 0 H ALA A 53 4.217 11.669 -5.026 1.00 1.47 H new ATOM 0 HA ALA A 53 6.330 11.560 -6.947 1.00 1.55 H new ATOM 0 HB1 ALA A 53 6.859 13.785 -5.886 1.00 1.61 H new ATOM 0 HB2 ALA A 53 5.124 13.636 -6.251 1.00 1.61 H new ATOM 0 HB3 ALA A 53 5.704 13.418 -4.583 1.00 1.61 H new ATOM 893 N ARG A 54 7.176 10.569 -3.969 1.00 1.47 N ATOM 894 CA ARG A 54 8.318 10.233 -3.079 1.00 1.49 C ATOM 895 C ARG A 54 8.367 8.792 -2.546 1.00 1.44 C ATOM 896 O ARG A 54 9.360 8.432 -1.914 1.00 1.48 O ATOM 897 CB ARG A 54 8.318 11.206 -1.879 1.00 1.51 C ATOM 898 CG ARG A 54 8.467 12.703 -2.214 1.00 1.59 C ATOM 899 CD ARG A 54 9.811 13.074 -2.862 1.00 1.68 C ATOM 900 NE ARG A 54 10.967 12.741 -2.002 1.00 1.72 N ATOM 901 CZ ARG A 54 11.435 13.435 -0.977 1.00 1.77 C ATOM 902 NH1 ARG A 54 10.899 14.559 -0.590 1.00 1.79 N ATOM 903 NH2 ARG A 54 12.468 13.006 -0.313 1.00 1.82 N ATOM 0 H ARG A 54 6.266 10.271 -3.618 1.00 1.47 H new ATOM 0 HA ARG A 54 9.202 10.331 -3.709 1.00 1.49 H new ATOM 0 HB2 ARG A 54 7.387 11.070 -1.328 1.00 1.51 H new ATOM 0 HB3 ARG A 54 9.130 10.923 -1.209 1.00 1.51 H new ATOM 0 HG2 ARG A 54 7.660 12.995 -2.886 1.00 1.59 H new ATOM 0 HG3 ARG A 54 8.346 13.282 -1.299 1.00 1.59 H new ATOM 0 HD2 ARG A 54 9.908 12.551 -3.814 1.00 1.68 H new ATOM 0 HD3 ARG A 54 9.822 14.142 -3.082 1.00 1.68 H new ATOM 0 HE ARG A 54 11.461 11.877 -2.225 1.00 1.72 H new ATOM 0 HH11 ARG A 54 10.088 14.934 -1.083 1.00 1.79 H new ATOM 0 HH12 ARG A 54 11.290 15.063 0.205 1.00 1.79 H new ATOM 0 HH21 ARG A 54 12.920 12.132 -0.582 1.00 1.82 H new ATOM 0 HH22 ARG A 54 12.826 13.544 0.476 1.00 1.82 H new ATOM 917 N ARG A 55 7.336 7.965 -2.784 1.00 1.37 N ATOM 918 CA ARG A 55 7.135 6.638 -2.146 1.00 1.32 C ATOM 919 C ARG A 55 7.229 6.770 -0.621 1.00 1.31 C ATOM 920 O ARG A 55 8.019 6.124 0.065 1.00 1.35 O ATOM 921 CB ARG A 55 8.041 5.558 -2.786 1.00 1.37 C ATOM 922 CG ARG A 55 8.085 5.596 -4.328 1.00 1.40 C ATOM 923 CD ARG A 55 6.714 5.476 -5.020 1.00 1.35 C ATOM 924 NE ARG A 55 6.579 6.432 -6.141 1.00 1.40 N ATOM 925 CZ ARG A 55 7.016 6.307 -7.378 1.00 1.46 C ATOM 926 NH1 ARG A 55 7.654 5.251 -7.799 1.00 1.49 N ATOM 927 NH2 ARG A 55 6.812 7.276 -8.219 1.00 1.51 N ATOM 0 H ARG A 55 6.594 8.201 -3.443 1.00 1.37 H new ATOM 0 HA ARG A 55 6.126 6.275 -2.342 1.00 1.32 H new ATOM 0 HB2 ARG A 55 9.054 5.677 -2.403 1.00 1.37 H new ATOM 0 HB3 ARG A 55 7.694 4.575 -2.469 1.00 1.37 H new ATOM 0 HG2 ARG A 55 8.553 6.530 -4.641 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.725 4.786 -4.679 1.00 1.40 H new ATOM 0 HD2 ARG A 55 6.582 4.460 -5.391 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.923 5.655 -4.292 1.00 1.35 H new ATOM 0 HE ARG A 55 6.084 7.299 -5.929 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.834 4.476 -7.161 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.973 5.200 -8.766 1.00 1.49 H new ATOM 0 HH21 ARG A 55 6.320 8.117 -7.918 1.00 1.51 H new ATOM 0 HH22 ARG A 55 7.144 7.195 -9.180 1.00 1.51 H new ATOM 941 N GLN A 56 6.375 7.673 -0.128 1.00 1.28 N ATOM 942 CA GLN A 56 6.395 8.083 1.281 1.00 1.29 C ATOM 943 C GLN A 56 5.621 7.113 2.199 1.00 1.24 C ATOM 944 O GLN A 56 5.583 7.333 3.409 1.00 1.25 O ATOM 945 CB GLN A 56 5.888 9.534 1.416 1.00 1.30 C ATOM 946 CG GLN A 56 6.640 10.363 2.476 1.00 1.37 C ATOM 947 CD GLN A 56 7.901 11.028 1.922 1.00 1.46 C ATOM 948 OE1 GLN A 56 9.090 10.542 2.209 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 7.841 12.021 1.211 1.00 1.51 N flip ATOM 0 H GLN A 56 5.658 8.136 -0.686 1.00 1.28 H new ATOM 0 HA GLN A 56 7.430 8.043 1.622 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.977 10.031 0.450 1.00 1.30 H new ATOM 0 HB3 GLN A 56 4.828 9.516 1.668 1.00 1.30 H new ATOM 0 HG2 GLN A 56 5.974 11.130 2.871 1.00 1.37 H new ATOM 0 HG3 GLN A 56 6.912 9.717 3.310 1.00 1.37 H new ATOM 0 HE21 GLN A 56 6.934 12.422 0.970 1.00 1.51 H new ATOM 0 HE22 GLN A 56 8.697 12.448 0.859 1.00 1.51 H new ATOM 958 N TRP A 57 5.041 6.019 1.675 1.00 1.19 N ATOM 959 CA TRP A 57 4.385 4.973 2.480 1.00 1.17 C ATOM 960 C TRP A 57 5.283 4.395 3.577 1.00 1.24 C ATOM 961 O TRP A 57 4.789 4.086 4.657 1.00 1.24 O ATOM 962 CB TRP A 57 3.835 3.841 1.607 1.00 1.15 C ATOM 963 CG TRP A 57 2.646 4.210 0.791 1.00 1.11 C ATOM 964 CD1 TRP A 57 2.654 4.565 -0.510 1.00 1.11 C ATOM 965 CD2 TRP A 57 1.255 4.267 1.226 1.00 1.07 C ATOM 966 NE1 TRP A 57 1.366 4.864 -0.901 1.00 1.09 N ATOM 967 CE2 TRP A 57 0.463 4.714 0.128 1.00 1.07 C ATOM 968 CE3 TRP A 57 0.586 4.004 2.440 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -0.919 4.921 0.240 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -0.800 4.191 2.560 1.00 1.06 C ATOM 971 CH2 TRP A 57 -1.547 4.654 1.466 1.00 1.06 C ATOM 0 H TRP A 57 5.014 5.834 0.672 1.00 1.19 H new ATOM 0 HA TRP A 57 3.554 5.476 2.974 1.00 1.17 H new ATOM 0 HB2 TRP A 57 4.625 3.498 0.939 1.00 1.15 H new ATOM 0 HB3 TRP A 57 3.572 3.000 2.249 1.00 1.15 H new ATOM 0 HD1 TRP A 57 3.528 4.608 -1.143 1.00 1.11 H new ATOM 0 HE1 TRP A 57 1.112 5.162 -1.843 1.00 1.09 H new ATOM 0 HE3 TRP A 57 1.150 3.653 3.292 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -1.491 5.280 -0.603 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -1.293 3.978 3.497 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -2.611 4.806 1.568 1.00 1.06 H new ATOM 982 N LYS A 58 6.581 4.357 3.379 1.00 1.32 N ATOM 983 CA LYS A 58 7.450 3.872 4.439 1.00 1.42 C ATOM 984 C LYS A 58 7.390 4.826 5.646 1.00 1.43 C ATOM 985 O LYS A 58 7.631 4.421 6.782 1.00 1.51 O ATOM 986 CB LYS A 58 8.867 3.689 3.919 1.00 1.54 C ATOM 987 CG LYS A 58 8.932 2.700 2.770 1.00 1.98 C ATOM 988 CD LYS A 58 8.187 1.410 3.091 1.00 2.07 C ATOM 989 CE LYS A 58 8.243 0.446 1.925 1.00 2.58 C ATOM 990 NZ LYS A 58 9.642 0.078 1.592 1.00 2.89 N ATOM 0 H LYS A 58 7.053 4.646 2.522 1.00 1.32 H new ATOM 0 HA LYS A 58 7.104 2.895 4.776 1.00 1.42 H new ATOM 0 HB2 LYS A 58 9.259 4.652 3.590 1.00 1.54 H new ATOM 0 HB3 LYS A 58 9.508 3.344 4.730 1.00 1.54 H new ATOM 0 HG2 LYS A 58 8.505 3.153 1.876 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.974 2.472 2.545 1.00 1.98 H new ATOM 0 HD2 LYS A 58 8.624 0.944 3.974 1.00 2.07 H new ATOM 0 HD3 LYS A 58 7.148 1.636 3.331 1.00 2.07 H new ATOM 0 HE2 LYS A 58 7.677 -0.453 2.167 1.00 2.58 H new ATOM 0 HE3 LYS A 58 7.767 0.898 1.055 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 9.643 -0.749 0.961 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 10.107 0.877 1.116 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 10.158 -0.152 2.465 1.00 2.89 H new ATOM 1004 N HIS A 59 7.086 6.104 5.374 1.00 1.39 N ATOM 1005 CA HIS A 59 6.941 7.124 6.419 1.00 1.40 C ATOM 1006 C HIS A 59 5.570 7.001 7.121 1.00 1.32 C ATOM 1007 O HIS A 59 5.457 7.271 8.313 1.00 1.35 O ATOM 1008 CB HIS A 59 7.187 8.517 5.836 1.00 1.43 C ATOM 1009 CG HIS A 59 8.578 8.673 5.280 1.00 1.58 C ATOM 1010 ND1 HIS A 59 9.202 8.043 4.250 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 9.505 9.549 5.803 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 10.478 8.546 4.172 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 10.635 9.454 5.120 1.00 1.79 N flip ATOM 0 H HIS A 59 6.935 6.456 4.429 1.00 1.39 H new ATOM 0 HA HIS A 59 7.696 6.961 7.188 1.00 1.40 H new ATOM 0 HB2 HIS A 59 6.460 8.710 5.047 1.00 1.43 H new ATOM 0 HB3 HIS A 59 7.023 9.266 6.611 1.00 1.43 H new ATOM 0 HD2 HIS A 59 9.336 10.210 6.640 1.00 1.59 H new ATOM 0 HE1 HIS A 59 11.229 8.249 3.455 1.00 1.93 H new ATOM 0 HE2 HIS A 59 11.484 9.991 5.296 1.00 1.79 H new ATOM 1022 N ILE A 60 4.521 6.657 6.355 1.00 1.23 N ATOM 1023 CA ILE A 60 3.194 6.367 6.918 1.00 1.20 C ATOM 1024 C ILE A 60 3.358 5.169 7.848 1.00 1.27 C ATOM 1025 O ILE A 60 2.904 5.246 8.979 1.00 1.33 O ATOM 1026 CB ILE A 60 2.114 6.150 5.834 1.00 1.15 C ATOM 1027 CG1 ILE A 60 1.810 7.512 5.173 1.00 1.14 C ATOM 1028 CG2 ILE A 60 0.838 5.527 6.437 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.910 7.425 3.938 1.00 1.14 C ATOM 0 H ILE A 60 4.568 6.573 5.340 1.00 1.23 H new ATOM 0 HA ILE A 60 2.827 7.227 7.478 1.00 1.20 H new ATOM 0 HB ILE A 60 2.482 5.451 5.083 1.00 1.15 H new ATOM 0 HG12 ILE A 60 1.336 8.162 5.909 1.00 1.14 H new ATOM 0 HG13 ILE A 60 2.751 7.984 4.890 1.00 1.14 H new ATOM 0 HG21 ILE A 60 0.096 5.386 5.651 1.00 1.18 H new ATOM 0 HG22 ILE A 60 1.080 4.563 6.885 1.00 1.18 H new ATOM 0 HG23 ILE A 60 0.435 6.191 7.202 1.00 1.18 H new ATOM 0 HD11 ILE A 60 0.747 8.425 3.536 1.00 1.14 H new ATOM 0 HD12 ILE A 60 1.389 6.803 3.182 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.048 6.985 4.216 1.00 1.14 H new ATOM 1238 N THR A 77 -0.330 -1.345 1.775 1.00 1.35 N ATOM 1239 CA THR A 77 -1.333 -0.328 2.090 1.00 1.39 C ATOM 1240 C THR A 77 -1.574 0.597 0.894 1.00 1.34 C ATOM 1241 O THR A 77 -2.676 1.109 0.709 1.00 1.38 O ATOM 1242 CB THR A 77 -0.902 0.526 3.303 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.404 -0.317 4.351 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.065 1.355 3.825 1.00 1.49 C ATOM 0 HA THR A 77 -2.256 -0.856 2.332 1.00 1.39 H new ATOM 0 HB THR A 77 -0.112 1.201 2.975 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.117 -1.174 3.973 1.00 1.48 H new ATOM 0 HG21 THR A 77 -1.735 1.947 4.679 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.420 2.020 3.038 1.00 1.49 H new ATOM 0 HG23 THR A 77 -2.874 0.693 4.133 1.00 1.49 H new ATOM 1252 N ARG A 78 -0.526 0.798 0.090 1.00 1.27 N ATOM 1253 CA ARG A 78 -0.589 1.654 -1.102 1.00 1.25 C ATOM 1254 C ARG A 78 -1.595 1.111 -2.117 1.00 1.30 C ATOM 1255 O ARG A 78 -2.356 1.861 -2.732 1.00 1.29 O ATOM 1256 CB ARG A 78 0.810 1.732 -1.743 1.00 1.25 C ATOM 1257 CG ARG A 78 0.867 2.493 -3.064 1.00 1.33 C ATOM 1258 CD ARG A 78 2.225 2.332 -3.745 1.00 1.40 C ATOM 1259 NE ARG A 78 2.446 3.336 -4.788 1.00 1.56 N ATOM 1260 CZ ARG A 78 3.617 3.529 -5.404 1.00 1.92 C ATOM 1261 NH1 ARG A 78 4.671 2.775 -5.105 1.00 2.01 N ATOM 1262 NH2 ARG A 78 3.732 4.478 -6.325 1.00 2.42 N ATOM 0 H ARG A 78 0.389 0.374 0.245 1.00 1.27 H new ATOM 0 HA ARG A 78 -0.917 2.649 -0.801 1.00 1.25 H new ATOM 0 HB2 ARG A 78 1.492 2.206 -1.037 1.00 1.25 H new ATOM 0 HB3 ARG A 78 1.176 0.719 -1.908 1.00 1.25 H new ATOM 0 HG2 ARG A 78 0.081 2.132 -3.727 1.00 1.33 H new ATOM 0 HG3 ARG A 78 0.672 3.550 -2.885 1.00 1.33 H new ATOM 0 HD2 ARG A 78 3.015 2.408 -2.998 1.00 1.40 H new ATOM 0 HD3 ARG A 78 2.294 1.336 -4.182 1.00 1.40 H new ATOM 0 HE ARG A 78 1.659 3.924 -5.061 1.00 1.56 H new ATOM 0 HH11 ARG A 78 4.590 2.042 -4.400 1.00 2.01 H new ATOM 0 HH12 ARG A 78 5.560 2.930 -5.580 1.00 2.01 H new ATOM 0 HH21 ARG A 78 2.928 5.059 -6.562 1.00 2.42 H new ATOM 0 HH22 ARG A 78 4.625 4.626 -6.796 1.00 2.42 H new ATOM 1276 N ARG A 79 -1.578 -0.204 -2.267 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.432 -0.927 -3.203 1.00 1.45 C ATOM 1278 C ARG A 79 -3.888 -1.025 -2.734 1.00 1.48 C ATOM 1279 O ARG A 79 -4.796 -1.120 -3.559 1.00 1.54 O ATOM 1280 CB ARG A 79 -1.858 -2.317 -3.521 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.422 -2.257 -4.077 1.00 1.51 C ATOM 1282 CD ARG A 79 0.103 -3.639 -4.487 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.584 -4.161 -5.688 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.414 -5.349 -6.241 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.416 -6.229 -5.756 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -1.080 -5.681 -7.310 1.00 1.82 N ATOM 0 H ARG A 79 -0.959 -0.813 -1.732 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.443 -0.341 -4.122 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -1.867 -2.925 -2.616 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.503 -2.814 -4.246 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.396 -1.591 -4.939 1.00 1.51 H new ATOM 0 HG3 ARG A 79 0.239 -1.829 -3.324 1.00 1.51 H new ATOM 0 HD2 ARG A 79 1.174 -3.577 -4.681 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.031 -4.337 -3.661 1.00 1.59 H new ATOM 0 HE ARG A 79 -1.258 -3.540 -6.135 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.961 -6.011 -4.922 1.00 1.79 H new ATOM 0 HH12 ARG A 79 0.520 -7.136 -6.210 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.738 -5.022 -7.726 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.943 -6.600 -7.731 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.117 -0.958 -1.421 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.447 -0.822 -0.828 1.00 1.50 C ATOM 1302 C HIS A 80 -5.959 0.620 -0.974 1.00 1.44 C ATOM 1303 O HIS A 80 -7.040 0.827 -1.522 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.404 -1.296 0.636 1.00 1.52 C ATOM 1305 CG HIS A 80 -4.882 -2.709 0.798 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.133 -3.185 1.853 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.060 -3.764 -0.065 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -3.868 -4.484 1.631 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.410 -4.884 0.470 1.00 1.74 N ATOM 0 H HIS A 80 -3.369 -0.998 -0.728 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.159 -1.455 -1.359 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -4.775 -0.617 1.211 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.407 -1.237 1.058 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -5.607 -3.735 -0.996 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.298 -5.118 2.294 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.359 -5.816 0.060 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.166 1.634 -0.592 1.00 1.35 N ATOM 1319 CA TYR A 81 -5.552 3.053 -0.661 1.00 1.29 C ATOM 1320 C TYR A 81 -5.975 3.492 -2.070 1.00 1.32 C ATOM 1321 O TYR A 81 -6.953 4.231 -2.215 1.00 1.34 O ATOM 1322 CB TYR A 81 -4.385 3.912 -0.143 1.00 1.21 C ATOM 1323 CG TYR A 81 -4.684 5.394 0.080 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -4.832 6.269 -1.019 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -4.758 5.911 1.387 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -5.073 7.641 -0.810 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -4.926 7.293 1.598 1.00 1.12 C ATOM 1328 CZ TYR A 81 -5.101 8.166 0.502 1.00 1.12 C ATOM 1329 OH TYR A 81 -5.327 9.490 0.720 1.00 1.11 O ATOM 0 H TYR A 81 -4.227 1.490 -0.222 1.00 1.35 H new ATOM 0 HA TYR A 81 -6.430 3.194 -0.031 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.039 3.487 0.799 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -3.560 3.832 -0.851 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -4.760 5.884 -2.025 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -4.685 5.244 2.233 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -5.237 8.294 -1.655 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -4.921 7.687 2.603 1.00 1.12 H new ATOM 0 HH TYR A 81 -5.941 9.834 0.038 1.00 1.11 H new ATOM 1339 N GLU A 82 -5.313 2.990 -3.124 1.00 1.34 N ATOM 1340 CA GLU A 82 -5.585 3.374 -4.510 1.00 1.39 C ATOM 1341 C GLU A 82 -6.927 2.837 -5.031 1.00 1.50 C ATOM 1342 O GLU A 82 -7.341 3.189 -6.138 1.00 1.56 O ATOM 1343 CB GLU A 82 -4.408 3.035 -5.438 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.269 1.554 -5.776 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.270 1.338 -6.925 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -3.647 1.596 -8.097 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.126 0.890 -6.673 1.00 1.46 O ATOM 0 H GLU A 82 -4.568 2.300 -3.033 1.00 1.34 H new ATOM 0 HA GLU A 82 -5.687 4.459 -4.515 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -4.521 3.596 -6.365 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -3.484 3.375 -4.970 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -3.937 1.006 -4.894 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.242 1.149 -6.055 1.00 1.46 H new ATOM 1354 N ARG A 83 -7.613 2.003 -4.229 1.00 1.53 N ATOM 1355 CA ARG A 83 -8.998 1.595 -4.503 1.00 1.64 C ATOM 1356 C ARG A 83 -9.973 1.869 -3.351 1.00 1.64 C ATOM 1357 O ARG A 83 -11.177 1.716 -3.548 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.050 0.105 -4.903 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.285 -0.256 -6.183 1.00 1.75 C ATOM 1360 CD ARG A 83 -8.857 0.420 -7.441 1.00 1.81 C ATOM 1361 NE ARG A 83 -8.057 0.077 -8.632 1.00 1.84 N ATOM 1362 CZ ARG A 83 -6.895 0.608 -8.974 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -6.404 1.659 -8.391 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -6.169 0.074 -9.913 1.00 1.82 N ATOM 0 H ARG A 83 -7.224 1.596 -3.378 1.00 1.53 H new ATOM 0 HA ARG A 83 -9.332 2.218 -5.333 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -8.651 -0.489 -4.081 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.093 -0.185 -5.029 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.240 0.031 -6.067 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.305 -1.337 -6.318 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -9.890 0.107 -7.589 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -8.868 1.501 -7.305 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.437 -0.639 -9.252 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -6.919 2.110 -7.635 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -5.503 2.033 -8.689 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.494 -0.764 -10.395 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.275 0.494 -10.167 1.00 1.82 H new ATOM 1378 N LEU A 84 -9.480 2.300 -2.183 1.00 1.56 N ATOM 1379 CA LEU A 84 -10.294 2.364 -0.967 1.00 1.57 C ATOM 1380 C LEU A 84 -10.482 3.802 -0.452 1.00 1.51 C ATOM 1381 O LEU A 84 -11.312 4.030 0.421 1.00 1.54 O ATOM 1382 CB LEU A 84 -9.603 1.447 0.056 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.362 1.192 1.360 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -11.715 0.527 1.132 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -9.534 0.280 2.259 1.00 1.61 C ATOM 0 H LEU A 84 -8.517 2.610 -2.057 1.00 1.56 H new ATOM 0 HA LEU A 84 -11.311 2.025 -1.162 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.411 0.486 -0.421 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -8.634 1.880 0.303 1.00 1.56 H new ATOM 0 HG LEU A 84 -10.532 2.164 1.822 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.209 0.370 2.091 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.335 1.168 0.505 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -11.570 -0.433 0.637 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.074 0.098 3.188 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.356 -0.668 1.751 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -8.580 0.757 2.481 1.00 1.61 H new ATOM 1397 N ILE A 85 -9.746 4.773 -1.006 1.00 1.44 N ATOM 1398 CA ILE A 85 -10.033 6.201 -0.769 1.00 1.41 C ATOM 1399 C ILE A 85 -9.477 7.133 -1.844 1.00 1.39 C ATOM 1400 O ILE A 85 -10.057 8.194 -2.037 1.00 1.42 O ATOM 1401 CB ILE A 85 -9.623 6.644 0.647 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -10.195 8.047 0.958 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -8.106 6.596 0.851 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -10.360 8.333 2.451 1.00 1.33 C ATOM 0 H ILE A 85 -8.950 4.601 -1.620 1.00 1.44 H new ATOM 0 HA ILE A 85 -11.117 6.293 -0.842 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.051 5.934 1.354 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -9.538 8.801 0.524 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -11.164 8.150 0.469 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -7.865 6.917 1.864 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -7.750 5.577 0.699 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -7.621 7.260 0.135 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -10.766 9.336 2.587 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.042 7.603 2.888 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -9.390 8.264 2.944 1.00 1.33 H new ATOM 1416 N LEU A 86 -8.465 6.744 -2.627 1.00 1.37 N ATOM 1417 CA LEU A 86 -8.074 7.486 -3.833 1.00 1.39 C ATOM 1418 C LEU A 86 -9.274 7.833 -4.758 1.00 1.49 C ATOM 1419 O LEU A 86 -9.336 8.976 -5.222 1.00 1.52 O ATOM 1420 CB LEU A 86 -6.972 6.700 -4.559 1.00 1.37 C ATOM 1421 CG LEU A 86 -6.413 7.343 -5.840 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -5.839 8.741 -5.596 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -5.307 6.474 -6.430 1.00 1.40 C ATOM 0 H LEU A 86 -7.899 5.915 -2.447 1.00 1.37 H new ATOM 0 HA LEU A 86 -7.682 8.457 -3.531 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -6.146 6.546 -3.864 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -7.364 5.715 -4.812 1.00 1.37 H new ATOM 0 HG LEU A 86 -7.253 7.428 -6.530 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -5.459 9.147 -6.533 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -6.622 9.393 -5.209 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -5.027 8.680 -4.871 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -4.921 6.942 -7.336 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -4.501 6.369 -5.704 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -5.708 5.490 -6.672 1.00 1.40 H new ATOM 1435 N PRO A 87 -10.270 6.940 -4.989 1.00 1.58 N ATOM 1436 CA PRO A 87 -11.488 7.304 -5.723 1.00 1.69 C ATOM 1437 C PRO A 87 -12.489 8.187 -4.948 1.00 1.71 C ATOM 1438 O PRO A 87 -13.359 8.776 -5.595 1.00 1.80 O ATOM 1439 CB PRO A 87 -12.132 5.975 -6.140 1.00 1.78 C ATOM 1440 CG PRO A 87 -11.663 4.999 -5.068 1.00 1.71 C ATOM 1441 CD PRO A 87 -10.251 5.493 -4.771 1.00 1.59 C ATOM 0 HA PRO A 87 -11.212 7.932 -6.570 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -13.219 6.048 -6.168 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -11.807 5.666 -7.134 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -12.299 5.031 -4.183 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -11.666 3.970 -5.426 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -9.964 5.258 -3.746 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -9.524 5.010 -5.425 1.00 1.59 H new ATOM 1449 N TYR A 88 -12.396 8.315 -3.613 1.00 1.63 N ATOM 1450 CA TYR A 88 -13.365 9.094 -2.816 1.00 1.66 C ATOM 1451 C TYR A 88 -12.816 10.427 -2.277 1.00 1.59 C ATOM 1452 O TYR A 88 -13.566 11.399 -2.239 1.00 1.64 O ATOM 1453 CB TYR A 88 -14.023 8.210 -1.738 1.00 1.68 C ATOM 1454 CG TYR A 88 -15.451 7.773 -2.063 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -15.814 7.371 -3.368 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -16.430 7.773 -1.049 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -17.137 6.981 -3.653 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -17.757 7.391 -1.331 1.00 1.97 C ATOM 1459 CZ TYR A 88 -18.114 6.990 -2.635 1.00 2.05 C ATOM 1460 OH TYR A 88 -19.391 6.611 -2.919 1.00 2.17 O ATOM 0 H TYR A 88 -11.655 7.886 -3.058 1.00 1.63 H new ATOM 0 HA TYR A 88 -14.152 9.409 -3.501 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -13.409 7.321 -1.590 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -14.029 8.754 -0.794 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -15.072 7.363 -4.152 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -16.161 8.069 -0.046 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -17.404 6.674 -4.653 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -18.501 7.405 -0.548 1.00 1.97 H new ATOM 0 HH TYR A 88 -19.938 6.673 -2.109 1.00 2.17 H new ATOM 1470 N GLU A 89 -11.511 10.577 -2.005 1.00 1.50 N ATOM 1471 CA GLU A 89 -10.910 11.907 -1.747 1.00 1.46 C ATOM 1472 C GLU A 89 -11.127 12.884 -2.930 1.00 1.53 C ATOM 1473 O GLU A 89 -11.028 14.099 -2.770 1.00 1.55 O ATOM 1474 CB GLU A 89 -9.417 11.815 -1.358 1.00 1.36 C ATOM 1475 CG GLU A 89 -8.469 11.385 -2.490 1.00 1.35 C ATOM 1476 CD GLU A 89 -6.992 11.621 -2.117 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -6.414 10.821 -1.342 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -6.396 12.611 -2.615 1.00 1.29 O ATOM 0 H GLU A 89 -10.849 9.802 -1.957 1.00 1.50 H new ATOM 0 HA GLU A 89 -11.438 12.317 -0.886 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -9.095 12.788 -0.986 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -9.316 11.109 -0.534 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -8.624 10.329 -2.713 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -8.709 11.941 -3.396 1.00 1.35 H new ATOM 1485 N ARG A 90 -11.519 12.327 -4.087 1.00 1.61 N ATOM 1486 CA ARG A 90 -11.983 13.114 -5.237 1.00 1.71 C ATOM 1487 C ARG A 90 -13.092 14.125 -4.895 1.00 1.78 C ATOM 1488 O ARG A 90 -13.072 15.222 -5.452 1.00 1.83 O ATOM 1489 CB ARG A 90 -12.404 12.132 -6.347 1.00 1.78 C ATOM 1490 CG ARG A 90 -12.624 12.817 -7.703 1.00 1.89 C ATOM 1491 CD ARG A 90 -12.874 11.773 -8.797 1.00 1.97 C ATOM 1492 NE ARG A 90 -13.043 12.406 -10.119 1.00 2.08 N ATOM 1493 CZ ARG A 90 -13.078 11.795 -11.289 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -12.976 10.499 -11.402 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -13.216 12.481 -12.388 1.00 2.25 N ATOM 0 H ARG A 90 -11.523 11.320 -4.250 1.00 1.61 H new ATOM 0 HA ARG A 90 -11.161 13.740 -5.582 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -11.638 11.364 -6.454 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -13.322 11.627 -6.048 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -13.473 13.497 -7.640 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -11.752 13.419 -7.959 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -12.039 11.073 -8.831 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -13.765 11.194 -8.553 1.00 1.97 H new ATOM 0 HE ARG A 90 -13.143 13.421 -10.130 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -12.865 9.922 -10.569 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -13.007 10.063 -12.324 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -13.298 13.497 -12.348 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -13.242 12.002 -13.288 1.00 2.25 H new ATOM 1509 N PHE A 91 -14.008 13.833 -3.956 1.00 1.78 N ATOM 1510 CA PHE A 91 -14.978 14.844 -3.485 1.00 1.84 C ATOM 1511 C PHE A 91 -14.351 15.889 -2.539 1.00 1.78 C ATOM 1512 O PHE A 91 -14.782 17.042 -2.530 1.00 1.84 O ATOM 1513 CB PHE A 91 -16.250 14.207 -2.881 1.00 1.89 C ATOM 1514 CG PHE A 91 -16.127 13.495 -1.540 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -15.948 14.225 -0.344 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -16.246 12.093 -1.472 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -15.788 13.554 0.881 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -16.076 11.424 -0.250 1.00 1.76 C ATOM 1519 CZ PHE A 91 -15.814 12.152 0.919 1.00 1.70 C ATOM 0 H PHE A 91 -14.099 12.919 -3.512 1.00 1.78 H new ATOM 0 HA PHE A 91 -15.290 15.389 -4.376 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -16.998 14.993 -2.774 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -16.640 13.491 -3.604 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -15.934 15.305 -0.371 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -16.469 11.529 -2.366 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -15.645 14.117 1.791 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -16.147 10.347 -0.210 1.00 1.76 H new ATOM 0 HZ PHE A 91 -15.632 11.633 1.849 1.00 1.70 H new ATOM 1529 N ILE A 92 -13.299 15.525 -1.792 1.00 1.67 N ATOM 1530 CA ILE A 92 -12.621 16.461 -0.872 1.00 1.62 C ATOM 1531 C ILE A 92 -11.767 17.450 -1.677 1.00 1.64 C ATOM 1532 O ILE A 92 -11.768 18.651 -1.424 1.00 1.69 O ATOM 1533 CB ILE A 92 -11.747 15.689 0.152 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -12.571 14.612 0.900 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -11.109 16.667 1.159 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -11.764 13.716 1.846 1.00 1.43 C ATOM 0 H ILE A 92 -12.896 14.588 -1.804 1.00 1.67 H new ATOM 0 HA ILE A 92 -13.375 17.017 -0.315 1.00 1.62 H new ATOM 0 HB ILE A 92 -10.956 15.183 -0.401 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -13.353 15.109 1.474 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -13.069 13.981 0.163 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -10.499 16.110 1.870 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -10.482 17.382 0.625 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -11.894 17.202 1.694 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -12.430 12.996 2.321 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -10.999 13.184 1.280 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -11.288 14.330 2.611 1.00 1.43 H new ATOM 1548 N LYS A 93 -11.085 16.932 -2.701 1.00 1.63 N ATOM 1549 CA LYS A 93 -10.103 17.698 -3.482 1.00 1.66 C ATOM 1550 C LYS A 93 -10.705 18.357 -4.731 1.00 1.78 C ATOM 1551 O LYS A 93 -10.026 19.114 -5.424 1.00 1.82 O ATOM 1552 CB LYS A 93 -8.976 16.708 -3.810 1.00 1.58 C ATOM 1553 CG LYS A 93 -7.644 17.378 -4.167 1.00 1.58 C ATOM 1554 CD LYS A 93 -6.490 16.381 -4.011 1.00 1.49 C ATOM 1555 CE LYS A 93 -6.600 15.204 -4.990 1.00 1.50 C ATOM 1556 NZ LYS A 93 -5.541 14.205 -4.727 1.00 1.41 N ATOM 0 H LYS A 93 -11.196 15.968 -3.015 1.00 1.63 H new ATOM 0 HA LYS A 93 -9.727 18.547 -2.911 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -8.823 16.051 -2.954 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -9.290 16.079 -4.643 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -7.678 17.748 -5.192 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -7.478 18.241 -3.522 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -5.543 16.897 -4.171 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -6.477 16.001 -2.990 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -7.580 14.736 -4.895 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -6.518 15.567 -6.014 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -5.490 13.536 -5.521 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -4.626 14.688 -4.622 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -5.761 13.688 -3.852 1.00 1.41 H new ATOM 1570 N GLY A 94 -11.992 18.092 -4.982 1.00 1.84 N ATOM 1571 CA GLY A 94 -12.721 18.656 -6.122 1.00 1.97 C ATOM 1572 C GLY A 94 -13.940 19.498 -5.727 1.00 2.05 C ATOM 1573 O GLY A 94 -14.391 20.303 -6.541 1.00 2.15 O ATOM 0 H GLY A 94 -12.559 17.478 -4.397 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -12.039 19.274 -6.706 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -13.048 17.842 -6.769 1.00 1.97 H new ATOM 1577 N GLU A 95 -14.458 19.363 -4.496 1.00 2.00 N ATOM 1578 CA GLU A 95 -15.677 20.059 -4.035 1.00 2.08 C ATOM 1579 C GLU A 95 -15.623 20.537 -2.566 1.00 2.02 C ATOM 1580 O GLU A 95 -16.656 20.774 -1.935 1.00 2.07 O ATOM 1581 CB GLU A 95 -16.932 19.190 -4.293 1.00 2.13 C ATOM 1582 CG GLU A 95 -17.159 18.807 -5.763 1.00 2.21 C ATOM 1583 CD GLU A 95 -18.504 18.077 -5.941 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -19.540 18.747 -6.177 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -18.536 16.824 -5.863 1.00 2.26 O ATOM 0 H GLU A 95 -14.041 18.763 -3.784 1.00 2.00 H new ATOM 0 HA GLU A 95 -15.739 20.970 -4.630 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -16.852 18.277 -3.702 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -17.809 19.727 -3.933 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -17.143 19.703 -6.383 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -16.346 18.167 -6.106 1.00 2.21 H new ATOM 1592 N GLU A 96 -14.418 20.719 -2.011 1.00 1.94 N ATOM 1593 CA GLU A 96 -14.216 21.287 -0.664 1.00 1.90 C ATOM 1594 C GLU A 96 -12.873 22.030 -0.474 1.00 1.87 C ATOM 1595 O GLU A 96 -12.864 23.148 0.045 1.00 1.92 O ATOM 1596 CB GLU A 96 -14.382 20.184 0.403 1.00 1.82 C ATOM 1597 CG GLU A 96 -14.470 20.757 1.822 1.00 1.81 C ATOM 1598 CD GLU A 96 -14.791 19.656 2.850 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -15.992 19.394 3.111 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -13.848 19.058 3.423 1.00 1.68 O ATOM 0 H GLU A 96 -13.548 20.476 -2.484 1.00 1.94 H new ATOM 0 HA GLU A 96 -14.985 22.050 -0.542 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -15.282 19.608 0.190 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -13.540 19.494 0.343 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -13.526 21.237 2.082 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -15.240 21.528 1.858 1.00 1.81 H new ATOM 1607 N ASP A 97 -11.776 21.418 -0.901 1.00 1.80 N ATOM 1608 CA ASP A 97 -10.457 22.035 -0.780 1.00 1.78 C ATOM 1609 C ASP A 97 -9.580 21.671 -1.971 1.00 1.87 C ATOM 1610 O ASP A 97 -9.192 20.514 -2.134 1.00 2.33 O ATOM 1611 CB ASP A 97 -9.776 21.599 0.518 1.00 1.78 C ATOM 1612 CG ASP A 97 -8.458 22.316 0.746 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -8.488 23.507 1.124 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -7.396 21.689 0.543 1.00 2.20 O ATOM 0 H ASP A 97 -11.771 20.495 -1.335 1.00 1.80 H new ATOM 0 HA ASP A 97 -10.592 23.116 -0.762 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -10.443 21.793 1.358 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -9.602 20.523 0.491 1.00 1.78 H new