USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 828 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 74:sc= 0.42 USER MOD Single : A 30 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.1) USER MOD Single : A 31 HIS : no HD1:sc= 0.806 K(o=0.81,f=-3.4!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -174:sc= 0.74 USER MOD Single : A 47 THR OG1 : rot 33:sc= 0.225 USER MOD Single : A 48 GLN : amide:sc= 0.781 K(o=0.78,f=-3.1!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0587 X(o=-0.059,f=-0.059) USER MOD Single : A 67 ASN : amide:sc= -0.659 X(o=-0.66,f=-0.46) USER MOD Single : A 71 THR OG1 : rot -49:sc= -0.723! USER MOD Single : A 73 ASN : amide:sc= 0.331 K(o=0.33,f=-3.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -165:sc= -0.0644 (180deg=-0.414) USER MOD Single : A 92 TYR OH : rot 30:sc= 0.00677 USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= 0.473 (180deg=0.426) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 SER OG : rot -37:sc= 0.181 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 1.24 K(o=1.2,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 86 N ASP A 8 -18.134 -8.557 -1.483 1.00 0.81 N ATOM 87 CA ASP A 8 -18.300 -7.852 -2.745 1.00 0.80 C ATOM 88 C ASP A 8 -17.719 -6.449 -2.636 1.00 0.67 C ATOM 89 O ASP A 8 -17.122 -5.941 -3.580 1.00 0.67 O ATOM 90 CB ASP A 8 -19.775 -7.802 -3.157 1.00 0.91 C ATOM 91 CG ASP A 8 -20.662 -7.176 -2.103 1.00 1.50 C ATOM 92 OD1 ASP A 8 -21.016 -7.879 -1.131 1.00 2.18 O ATOM 93 OD2 ASP A 8 -21.012 -5.985 -2.242 1.00 2.05 O ATOM 0 HA ASP A 8 -17.760 -8.395 -3.520 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -19.869 -7.238 -4.085 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -20.124 -8.814 -3.363 1.00 0.91 H new ATOM 98 N THR A 9 -17.867 -5.845 -1.463 1.00 0.62 N ATOM 99 CA THR A 9 -17.282 -4.543 -1.186 1.00 0.58 C ATOM 100 C THR A 9 -15.758 -4.646 -1.182 1.00 0.49 C ATOM 101 O THR A 9 -15.056 -3.784 -1.717 1.00 0.46 O ATOM 102 CB THR A 9 -17.769 -4.015 0.177 1.00 0.64 C ATOM 103 OG1 THR A 9 -19.202 -4.075 0.239 1.00 0.74 O ATOM 104 CG2 THR A 9 -17.306 -2.585 0.407 1.00 0.72 C ATOM 0 H THR A 9 -18.392 -6.242 -0.684 1.00 0.62 H new ATOM 0 HA THR A 9 -17.595 -3.849 -1.966 1.00 0.58 H new ATOM 0 HB THR A 9 -17.342 -4.644 0.958 1.00 0.64 H new ATOM 0 HG1 THR A 9 -19.506 -3.740 1.108 1.00 0.74 H new ATOM 0 HG21 THR A 9 -17.664 -2.238 1.376 1.00 0.72 H new ATOM 0 HG22 THR A 9 -16.217 -2.548 0.388 1.00 0.72 H new ATOM 0 HG23 THR A 9 -17.705 -1.943 -0.378 1.00 0.72 H new ATOM 112 N ALA A 10 -15.261 -5.728 -0.593 1.00 0.51 N ATOM 113 CA ALA A 10 -13.832 -5.995 -0.553 1.00 0.50 C ATOM 114 C ALA A 10 -13.284 -6.172 -1.962 1.00 0.48 C ATOM 115 O ALA A 10 -12.204 -5.681 -2.287 1.00 0.45 O ATOM 116 CB ALA A 10 -13.546 -7.229 0.288 1.00 0.60 C ATOM 0 H ALA A 10 -15.833 -6.437 -0.134 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.334 -5.141 -0.094 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.472 -7.415 0.308 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -13.905 -7.068 1.304 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -14.055 -8.090 -0.144 1.00 0.60 H new ATOM 122 N ARG A 11 -14.048 -6.861 -2.803 1.00 0.54 N ATOM 123 CA ARG A 11 -13.639 -7.099 -4.179 1.00 0.59 C ATOM 124 C ARG A 11 -13.669 -5.796 -4.981 1.00 0.52 C ATOM 125 O ARG A 11 -12.874 -5.607 -5.900 1.00 0.52 O ATOM 126 CB ARG A 11 -14.516 -8.163 -4.845 1.00 0.74 C ATOM 127 CG ARG A 11 -13.964 -8.633 -6.183 1.00 1.02 C ATOM 128 CD ARG A 11 -14.784 -9.766 -6.776 1.00 1.21 C ATOM 129 NE ARG A 11 -14.195 -10.263 -8.020 1.00 1.97 N ATOM 130 CZ ARG A 11 -14.477 -11.448 -8.563 1.00 2.53 C ATOM 131 NH1 ARG A 11 -15.330 -12.271 -7.967 1.00 2.44 N ATOM 132 NH2 ARG A 11 -13.905 -11.808 -9.704 1.00 3.56 N ATOM 0 H ARG A 11 -14.952 -7.263 -2.555 1.00 0.54 H new ATOM 0 HA ARG A 11 -12.616 -7.474 -4.163 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -14.611 -9.019 -4.176 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -15.518 -7.760 -4.992 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -13.946 -7.796 -6.881 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -12.933 -8.962 -6.053 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -14.855 -10.581 -6.055 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -15.800 -9.420 -6.967 1.00 1.21 H new ATOM 0 HE ARG A 11 -13.525 -9.664 -8.503 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -15.773 -11.998 -7.090 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -15.543 -13.176 -8.386 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -13.249 -11.179 -10.167 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -14.121 -12.714 -10.119 1.00 3.56 H new ATOM 146 N ARG A 12 -14.593 -4.904 -4.634 1.00 0.51 N ATOM 147 CA ARG A 12 -14.693 -3.605 -5.295 1.00 0.51 C ATOM 148 C ARG A 12 -13.379 -2.839 -5.189 1.00 0.42 C ATOM 149 O ARG A 12 -12.854 -2.355 -6.190 1.00 0.41 O ATOM 150 CB ARG A 12 -15.825 -2.773 -4.688 1.00 0.57 C ATOM 151 CG ARG A 12 -17.226 -3.249 -5.046 1.00 1.31 C ATOM 152 CD ARG A 12 -17.558 -3.003 -6.512 1.00 1.38 C ATOM 153 NE ARG A 12 -16.850 -3.912 -7.414 1.00 2.05 N ATOM 154 CZ ARG A 12 -16.354 -3.550 -8.600 1.00 2.50 C ATOM 155 NH1 ARG A 12 -16.459 -2.293 -9.021 1.00 2.39 N ATOM 156 NH2 ARG A 12 -15.748 -4.448 -9.366 1.00 3.49 N ATOM 0 H ARG A 12 -15.283 -5.057 -3.899 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.911 -3.785 -6.348 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -15.720 -2.778 -3.603 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.713 -1.739 -5.014 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -17.313 -4.314 -4.829 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -17.954 -2.735 -4.419 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -18.632 -3.115 -6.660 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -17.306 -1.974 -6.769 1.00 1.38 H new ATOM 0 HE ARG A 12 -16.728 -4.881 -7.119 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -16.921 -1.596 -8.437 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -16.077 -2.025 -9.928 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -15.661 -5.414 -9.049 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -15.369 -4.173 -10.272 1.00 3.49 H new ATOM 170 N PHE A 13 -12.839 -2.754 -3.978 1.00 0.40 N ATOM 171 CA PHE A 13 -11.560 -2.083 -3.761 1.00 0.37 C ATOM 172 C PHE A 13 -10.449 -2.841 -4.479 1.00 0.33 C ATOM 173 O PHE A 13 -9.576 -2.240 -5.110 1.00 0.33 O ATOM 174 CB PHE A 13 -11.259 -1.977 -2.260 1.00 0.41 C ATOM 175 CG PHE A 13 -9.968 -1.271 -1.932 1.00 0.41 C ATOM 176 CD1 PHE A 13 -9.938 0.103 -1.765 1.00 0.43 C ATOM 177 CD2 PHE A 13 -8.785 -1.980 -1.795 1.00 0.46 C ATOM 178 CE1 PHE A 13 -8.759 0.758 -1.466 1.00 0.48 C ATOM 179 CE2 PHE A 13 -7.602 -1.331 -1.495 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.582 0.025 -1.324 1.00 0.50 C ATOM 0 H PHE A 13 -13.264 -3.139 -3.134 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.616 -1.074 -4.169 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -12.080 -1.451 -1.773 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -11.228 -2.981 -1.836 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -10.850 0.671 -1.870 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -8.787 -3.052 -1.924 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -8.749 1.831 -1.343 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -6.689 -1.898 -1.395 1.00 0.51 H new ATOM 0 HZ PHE A 13 -6.657 0.527 -1.080 1.00 0.50 H new ATOM 190 N ASP A 14 -10.526 -4.163 -4.393 1.00 0.35 N ATOM 191 CA ASP A 14 -9.579 -5.073 -5.041 1.00 0.37 C ATOM 192 C ASP A 14 -9.427 -4.770 -6.530 1.00 0.34 C ATOM 193 O ASP A 14 -8.327 -4.830 -7.081 1.00 0.37 O ATOM 194 CB ASP A 14 -10.069 -6.514 -4.848 1.00 0.47 C ATOM 195 CG ASP A 14 -9.477 -7.495 -5.841 1.00 0.58 C ATOM 196 OD1 ASP A 14 -10.021 -7.625 -6.960 1.00 0.65 O ATOM 197 OD2 ASP A 14 -8.479 -8.159 -5.502 1.00 0.87 O ATOM 0 H ASP A 14 -11.255 -4.643 -3.866 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.600 -4.938 -4.581 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.823 -6.840 -3.837 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -11.155 -6.534 -4.934 1.00 0.47 H new ATOM 202 N THR A 15 -10.530 -4.432 -7.170 1.00 0.33 N ATOM 203 CA THR A 15 -10.544 -4.269 -8.610 1.00 0.34 C ATOM 204 C THR A 15 -10.442 -2.800 -9.024 1.00 0.33 C ATOM 205 O THR A 15 -9.712 -2.460 -9.955 1.00 0.37 O ATOM 206 CB THR A 15 -11.817 -4.890 -9.207 1.00 0.39 C ATOM 207 OG1 THR A 15 -11.983 -6.221 -8.701 1.00 1.51 O ATOM 208 CG2 THR A 15 -11.744 -4.929 -10.725 1.00 1.34 C ATOM 0 H THR A 15 -11.428 -4.265 -6.715 1.00 0.33 H new ATOM 0 HA THR A 15 -9.668 -4.786 -9.000 1.00 0.34 H new ATOM 0 HB THR A 15 -12.669 -4.274 -8.919 1.00 0.39 H new ATOM 0 HG1 THR A 15 -12.279 -6.182 -7.768 1.00 1.51 H new ATOM 0 HG21 THR A 15 -12.657 -5.373 -11.122 1.00 1.34 H new ATOM 0 HG22 THR A 15 -11.636 -3.915 -11.110 1.00 1.34 H new ATOM 0 HG23 THR A 15 -10.886 -5.527 -11.033 1.00 1.34 H new ATOM 216 N GLU A 16 -11.154 -1.930 -8.321 1.00 0.33 N ATOM 217 CA GLU A 16 -11.288 -0.545 -8.753 1.00 0.39 C ATOM 218 C GLU A 16 -10.173 0.351 -8.212 1.00 0.37 C ATOM 219 O GLU A 16 -9.598 1.141 -8.955 1.00 0.46 O ATOM 220 CB GLU A 16 -12.647 0.006 -8.309 1.00 0.48 C ATOM 221 CG GLU A 16 -12.971 1.374 -8.883 1.00 0.60 C ATOM 222 CD GLU A 16 -13.249 1.326 -10.371 1.00 1.15 C ATOM 223 OE1 GLU A 16 -14.418 1.119 -10.758 1.00 1.27 O ATOM 224 OE2 GLU A 16 -12.296 1.497 -11.162 1.00 1.81 O ATOM 0 H GLU A 16 -11.644 -2.156 -7.456 1.00 0.33 H new ATOM 0 HA GLU A 16 -11.212 -0.539 -9.840 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -13.427 -0.696 -8.604 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.667 0.065 -7.221 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -13.839 1.785 -8.367 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -12.138 2.051 -8.694 1.00 0.60 H new ATOM 231 N PHE A 17 -9.847 0.217 -6.933 1.00 0.31 N ATOM 232 CA PHE A 17 -8.994 1.206 -6.276 1.00 0.32 C ATOM 233 C PHE A 17 -7.581 0.693 -6.001 1.00 0.30 C ATOM 234 O PHE A 17 -6.617 1.450 -6.114 1.00 0.33 O ATOM 235 CB PHE A 17 -9.641 1.682 -4.972 1.00 0.37 C ATOM 236 CG PHE A 17 -10.936 2.424 -5.175 1.00 0.42 C ATOM 237 CD1 PHE A 17 -10.934 3.761 -5.545 1.00 0.64 C ATOM 238 CD2 PHE A 17 -12.157 1.788 -4.991 1.00 0.43 C ATOM 239 CE1 PHE A 17 -12.122 4.447 -5.727 1.00 0.72 C ATOM 240 CE2 PHE A 17 -13.345 2.470 -5.173 1.00 0.48 C ATOM 241 CZ PHE A 17 -13.327 3.799 -5.540 1.00 0.57 C ATOM 0 H PHE A 17 -10.152 -0.552 -6.336 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.897 2.042 -6.969 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.823 0.819 -4.331 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.940 2.329 -4.444 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -9.994 4.272 -5.693 1.00 0.64 H new ATOM 0 HD2 PHE A 17 -12.178 0.748 -4.702 1.00 0.43 H new ATOM 0 HE1 PHE A 17 -12.107 5.488 -6.015 1.00 0.72 H new ATOM 0 HE2 PHE A 17 -14.287 1.962 -5.028 1.00 0.48 H new ATOM 0 HZ PHE A 17 -14.255 4.333 -5.681 1.00 0.57 H new ATOM 251 N ALA A 18 -7.454 -0.582 -5.648 1.00 0.29 N ATOM 252 CA ALA A 18 -6.158 -1.150 -5.281 1.00 0.30 C ATOM 253 C ALA A 18 -5.103 -1.001 -6.388 1.00 0.29 C ATOM 254 O ALA A 18 -3.986 -0.558 -6.106 1.00 0.30 O ATOM 255 CB ALA A 18 -6.302 -2.608 -4.870 1.00 0.32 C ATOM 0 H ALA A 18 -8.230 -1.242 -5.608 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.800 -0.575 -4.427 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -5.324 -3.009 -4.601 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.972 -2.680 -4.013 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.713 -3.181 -5.701 1.00 0.32 H new ATOM 261 N PRO A 19 -5.416 -1.355 -7.660 1.00 0.30 N ATOM 262 CA PRO A 19 -4.454 -1.217 -8.765 1.00 0.32 C ATOM 263 C PRO A 19 -3.987 0.225 -8.953 1.00 0.31 C ATOM 264 O PRO A 19 -2.877 0.470 -9.423 1.00 0.32 O ATOM 265 CB PRO A 19 -5.238 -1.687 -9.994 1.00 0.37 C ATOM 266 CG PRO A 19 -6.312 -2.553 -9.445 1.00 0.35 C ATOM 267 CD PRO A 19 -6.692 -1.932 -8.134 1.00 0.31 C ATOM 0 HA PRO A 19 -3.546 -1.791 -8.581 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.652 -0.844 -10.546 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.599 -2.237 -10.685 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.166 -2.597 -10.121 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -5.961 -3.576 -9.308 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.460 -1.168 -8.256 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -7.085 -2.671 -7.436 1.00 0.31 H new ATOM 275 N ARG A 20 -4.831 1.175 -8.557 1.00 0.32 N ATOM 276 CA ARG A 20 -4.513 2.589 -8.713 1.00 0.35 C ATOM 277 C ARG A 20 -3.383 2.975 -7.771 1.00 0.30 C ATOM 278 O ARG A 20 -2.475 3.717 -8.140 1.00 0.31 O ATOM 279 CB ARG A 20 -5.739 3.465 -8.435 1.00 0.43 C ATOM 280 CG ARG A 20 -6.929 3.168 -9.332 1.00 1.07 C ATOM 281 CD ARG A 20 -8.077 4.126 -9.066 1.00 1.40 C ATOM 282 NE ARG A 20 -9.287 3.732 -9.781 1.00 1.95 N ATOM 283 CZ ARG A 20 -10.260 4.571 -10.131 1.00 2.73 C ATOM 284 NH1 ARG A 20 -10.158 5.865 -9.856 1.00 3.15 N ATOM 285 NH2 ARG A 20 -11.336 4.110 -10.756 1.00 3.58 N ATOM 0 H ARG A 20 -5.737 0.990 -8.127 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.200 2.753 -9.744 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.039 3.332 -7.396 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -5.459 4.512 -8.555 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -6.626 3.242 -10.377 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -7.263 2.143 -9.168 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -8.282 4.160 -7.996 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -7.788 5.133 -9.368 1.00 1.40 H new ATOM 0 HE ARG A 20 -9.394 2.748 -10.029 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -9.332 6.221 -9.375 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -10.906 6.504 -10.126 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -11.416 3.115 -10.967 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -12.083 4.750 -11.025 1.00 3.58 H new ATOM 299 N ILE A 21 -3.439 2.446 -6.557 1.00 0.28 N ATOM 300 CA ILE A 21 -2.416 2.715 -5.559 1.00 0.28 C ATOM 301 C ILE A 21 -1.106 2.045 -5.953 1.00 0.24 C ATOM 302 O ILE A 21 -0.047 2.665 -5.933 1.00 0.25 O ATOM 303 CB ILE A 21 -2.838 2.209 -4.159 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.182 2.826 -3.753 1.00 0.35 C ATOM 305 CG2 ILE A 21 -1.765 2.540 -3.125 1.00 0.33 C ATOM 306 CD1 ILE A 21 -4.737 2.291 -2.445 1.00 0.38 C ATOM 0 H ILE A 21 -4.185 1.826 -6.240 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.284 3.796 -5.513 1.00 0.28 H new ATOM 0 HB ILE A 21 -2.952 1.126 -4.202 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.064 3.906 -3.671 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -4.908 2.644 -4.545 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.079 2.177 -2.146 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.828 2.060 -3.407 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.621 3.620 -3.082 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -5.688 2.776 -2.228 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -4.889 1.215 -2.527 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.032 2.497 -1.639 1.00 0.38 H new ATOM 318 N ALA A 22 -1.198 0.778 -6.338 1.00 0.23 N ATOM 319 CA ALA A 22 -0.025 -0.018 -6.669 1.00 0.23 C ATOM 320 C ALA A 22 0.775 0.589 -7.818 1.00 0.24 C ATOM 321 O ALA A 22 2.005 0.677 -7.749 1.00 0.28 O ATOM 322 CB ALA A 22 -0.442 -1.438 -7.008 1.00 0.25 C ATOM 0 H ALA A 22 -2.082 0.277 -6.429 1.00 0.23 H new ATOM 0 HA ALA A 22 0.625 -0.029 -5.794 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.441 -2.027 -7.255 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.948 -1.883 -6.151 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -1.119 -1.424 -7.862 1.00 0.25 H new ATOM 328 N ARG A 23 0.080 1.008 -8.867 1.00 0.27 N ATOM 329 CA ARG A 23 0.739 1.577 -10.035 1.00 0.34 C ATOM 330 C ARG A 23 1.342 2.941 -9.702 1.00 0.30 C ATOM 331 O ARG A 23 2.422 3.284 -10.188 1.00 0.31 O ATOM 332 CB ARG A 23 -0.244 1.693 -11.208 1.00 0.47 C ATOM 333 CG ARG A 23 -1.347 2.715 -10.991 1.00 1.16 C ATOM 334 CD ARG A 23 -2.400 2.655 -12.083 1.00 1.33 C ATOM 335 NE ARG A 23 -3.381 3.726 -11.936 1.00 1.85 N ATOM 336 CZ ARG A 23 -4.659 3.639 -12.303 1.00 2.38 C ATOM 337 NH1 ARG A 23 -5.144 2.514 -12.817 1.00 2.41 N ATOM 338 NH2 ARG A 23 -5.457 4.683 -12.136 1.00 3.36 N ATOM 0 H ARG A 23 -0.937 0.965 -8.933 1.00 0.27 H new ATOM 0 HA ARG A 23 1.547 0.908 -10.331 1.00 0.34 H new ATOM 0 HB2 ARG A 23 0.310 1.958 -12.108 1.00 0.47 H new ATOM 0 HB3 ARG A 23 -0.697 0.718 -11.387 1.00 0.47 H new ATOM 0 HG2 ARG A 23 -1.818 2.541 -10.023 1.00 1.16 H new ATOM 0 HG3 ARG A 23 -0.914 3.715 -10.959 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -1.920 2.731 -13.058 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -2.905 1.690 -12.051 1.00 1.33 H new ATOM 0 HE ARG A 23 -3.066 4.604 -11.523 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -4.536 1.703 -12.935 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -6.124 2.461 -13.094 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -5.092 5.544 -11.729 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -6.437 4.626 -12.414 1.00 3.36 H new ATOM 352 N ALA A 24 0.654 3.698 -8.853 1.00 0.29 N ATOM 353 CA ALA A 24 1.111 5.025 -8.463 1.00 0.31 C ATOM 354 C ALA A 24 2.380 4.937 -7.629 1.00 0.29 C ATOM 355 O ALA A 24 3.313 5.710 -7.820 1.00 0.31 O ATOM 356 CB ALA A 24 0.023 5.757 -7.694 1.00 0.35 C ATOM 0 H ALA A 24 -0.225 3.413 -8.421 1.00 0.29 H new ATOM 0 HA ALA A 24 1.336 5.587 -9.370 1.00 0.31 H new ATOM 0 HB1 ALA A 24 0.381 6.747 -7.410 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -0.862 5.858 -8.322 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.231 5.192 -6.797 1.00 0.35 H new ATOM 362 N ILE A 25 2.415 3.970 -6.720 1.00 0.27 N ATOM 363 CA ILE A 25 3.564 3.784 -5.844 1.00 0.30 C ATOM 364 C ILE A 25 4.790 3.371 -6.649 1.00 0.30 C ATOM 365 O ILE A 25 5.869 3.943 -6.498 1.00 0.33 O ATOM 366 CB ILE A 25 3.280 2.716 -4.760 1.00 0.33 C ATOM 367 CG1 ILE A 25 2.146 3.170 -3.830 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.537 2.420 -3.955 1.00 0.39 C ATOM 369 CD1 ILE A 25 2.449 4.443 -3.067 1.00 1.05 C ATOM 0 H ILE A 25 1.659 3.302 -6.571 1.00 0.27 H new ATOM 0 HA ILE A 25 3.756 4.738 -5.353 1.00 0.30 H new ATOM 0 HB ILE A 25 2.967 1.801 -5.263 1.00 0.33 H new ATOM 0 HG12 ILE A 25 1.242 3.319 -4.421 1.00 0.36 H new ATOM 0 HG13 ILE A 25 1.933 2.373 -3.117 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.316 1.667 -3.199 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.316 2.048 -4.620 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.881 3.333 -3.469 1.00 0.39 H new ATOM 0 HD11 ILE A 25 1.600 4.698 -2.433 1.00 1.05 H new ATOM 0 HD12 ILE A 25 3.333 4.294 -2.447 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.632 5.255 -3.771 1.00 1.05 H new ATOM 381 N ALA A 26 4.605 2.389 -7.522 1.00 0.31 N ATOM 382 CA ALA A 26 5.691 1.874 -8.343 1.00 0.36 C ATOM 383 C ALA A 26 6.281 2.971 -9.222 1.00 0.38 C ATOM 384 O ALA A 26 7.500 3.081 -9.365 1.00 0.40 O ATOM 385 CB ALA A 26 5.195 0.717 -9.196 1.00 0.42 C ATOM 0 H ALA A 26 3.707 1.932 -7.679 1.00 0.31 H new ATOM 0 HA ALA A 26 6.480 1.514 -7.683 1.00 0.36 H new ATOM 0 HB1 ALA A 26 6.014 0.338 -9.807 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.826 -0.079 -8.550 1.00 0.42 H new ATOM 0 HB3 ALA A 26 4.389 1.062 -9.844 1.00 0.42 H new ATOM 391 N ASP A 27 5.411 3.790 -9.798 1.00 0.40 N ATOM 392 CA ASP A 27 5.842 4.878 -10.668 1.00 0.47 C ATOM 393 C ASP A 27 6.507 5.990 -9.862 1.00 0.45 C ATOM 394 O ASP A 27 7.434 6.647 -10.338 1.00 0.48 O ATOM 395 CB ASP A 27 4.657 5.432 -11.456 1.00 0.56 C ATOM 396 CG ASP A 27 5.071 6.504 -12.438 1.00 0.72 C ATOM 397 OD1 ASP A 27 5.712 6.166 -13.459 1.00 0.86 O ATOM 398 OD2 ASP A 27 4.771 7.691 -12.193 1.00 0.80 O ATOM 0 H ASP A 27 4.400 3.722 -9.679 1.00 0.40 H new ATOM 0 HA ASP A 27 6.575 4.480 -11.370 1.00 0.47 H new ATOM 0 HB2 ASP A 27 4.169 4.619 -11.994 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.922 5.842 -10.763 1.00 0.56 H new ATOM 403 N LEU A 28 6.052 6.161 -8.629 1.00 0.42 N ATOM 404 CA LEU A 28 6.582 7.188 -7.741 1.00 0.46 C ATOM 405 C LEU A 28 7.998 6.818 -7.313 1.00 0.44 C ATOM 406 O LEU A 28 8.853 7.678 -7.110 1.00 0.49 O ATOM 407 CB LEU A 28 5.677 7.326 -6.508 1.00 0.49 C ATOM 408 CG LEU A 28 6.096 8.377 -5.477 1.00 0.90 C ATOM 409 CD1 LEU A 28 5.964 9.779 -6.050 1.00 1.69 C ATOM 410 CD2 LEU A 28 5.260 8.237 -4.212 1.00 1.44 C ATOM 0 H LEU A 28 5.309 5.596 -8.217 1.00 0.42 H new ATOM 0 HA LEU A 28 6.609 8.142 -8.268 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.669 7.562 -6.848 1.00 0.49 H new ATOM 0 HB3 LEU A 28 5.627 6.358 -6.010 1.00 0.49 H new ATOM 0 HG LEU A 28 7.143 8.212 -5.224 1.00 0.90 H new ATOM 0 HD11 LEU A 28 6.267 10.509 -5.299 1.00 1.69 H new ATOM 0 HD12 LEU A 28 6.603 9.875 -6.928 1.00 1.69 H new ATOM 0 HD13 LEU A 28 4.927 9.960 -6.334 1.00 1.69 H new ATOM 0 HD21 LEU A 28 5.568 8.990 -3.487 1.00 1.44 H new ATOM 0 HD22 LEU A 28 4.207 8.376 -4.455 1.00 1.44 H new ATOM 0 HD23 LEU A 28 5.406 7.244 -3.787 1.00 1.44 H new ATOM 422 N LEU A 29 8.232 5.518 -7.193 1.00 0.40 N ATOM 423 CA LEU A 29 9.539 4.991 -6.828 1.00 0.41 C ATOM 424 C LEU A 29 10.423 4.816 -8.061 1.00 0.44 C ATOM 425 O LEU A 29 11.397 4.064 -8.033 1.00 0.48 O ATOM 426 CB LEU A 29 9.373 3.656 -6.100 1.00 0.38 C ATOM 427 CG LEU A 29 8.513 3.715 -4.837 1.00 0.39 C ATOM 428 CD1 LEU A 29 8.312 2.325 -4.263 1.00 0.41 C ATOM 429 CD2 LEU A 29 9.140 4.634 -3.798 1.00 0.49 C ATOM 0 H LEU A 29 7.523 4.801 -7.346 1.00 0.40 H new ATOM 0 HA LEU A 29 10.027 5.704 -6.164 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.932 2.935 -6.789 1.00 0.38 H new ATOM 0 HB3 LEU A 29 10.360 3.279 -5.833 1.00 0.38 H new ATOM 0 HG LEU A 29 7.539 4.121 -5.109 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.698 2.388 -3.365 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.814 1.695 -5.000 1.00 0.41 H new ATOM 0 HD13 LEU A 29 9.280 1.892 -4.011 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.511 4.660 -2.908 1.00 0.49 H new ATOM 0 HD22 LEU A 29 10.129 4.261 -3.532 1.00 0.49 H new ATOM 0 HD23 LEU A 29 9.230 5.640 -4.209 1.00 0.49 H new ATOM 441 N ASN A 30 10.049 5.487 -9.153 1.00 0.45 N ATOM 442 CA ASN A 30 10.830 5.482 -10.394 1.00 0.51 C ATOM 443 C ASN A 30 10.957 4.074 -10.966 1.00 0.49 C ATOM 444 O ASN A 30 11.930 3.753 -11.655 1.00 0.55 O ATOM 445 CB ASN A 30 12.221 6.092 -10.167 1.00 0.60 C ATOM 446 CG ASN A 30 12.159 7.579 -9.869 1.00 0.79 C ATOM 447 OD1 ASN A 30 11.261 8.277 -10.338 1.00 1.36 O ATOM 448 ND2 ASN A 30 13.113 8.078 -9.097 1.00 1.44 N ATOM 0 H ASN A 30 9.199 6.048 -9.203 1.00 0.45 H new ATOM 0 HA ASN A 30 10.295 6.095 -11.120 1.00 0.51 H new ATOM 0 HB2 ASN A 30 12.709 5.578 -9.339 1.00 0.60 H new ATOM 0 HB3 ASN A 30 12.836 5.927 -11.052 1.00 0.60 H new ATOM 0 HD21 ASN A 30 13.119 9.073 -8.873 1.00 1.44 H new ATOM 0 HD22 ASN A 30 13.841 7.467 -8.727 1.00 1.44 H new ATOM 455 N HIS A 31 9.962 3.239 -10.669 1.00 0.46 N ATOM 456 CA HIS A 31 9.911 1.862 -11.163 1.00 0.50 C ATOM 457 C HIS A 31 11.134 1.068 -10.711 1.00 0.55 C ATOM 458 O HIS A 31 11.600 0.170 -11.411 1.00 0.67 O ATOM 459 CB HIS A 31 9.784 1.830 -12.696 1.00 0.60 C ATOM 460 CG HIS A 31 8.518 2.454 -13.208 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.367 1.738 -13.448 1.00 1.25 N ATOM 462 CD2 HIS A 31 8.225 3.740 -13.516 1.00 1.11 C ATOM 463 CE1 HIS A 31 6.424 2.553 -13.879 1.00 1.16 C ATOM 464 NE2 HIS A 31 6.915 3.778 -13.927 1.00 0.94 N ATOM 0 H HIS A 31 9.170 3.497 -10.080 1.00 0.46 H new ATOM 0 HA HIS A 31 9.025 1.392 -10.736 1.00 0.50 H new ATOM 0 HB2 HIS A 31 10.637 2.348 -13.134 1.00 0.60 H new ATOM 0 HB3 HIS A 31 9.832 0.795 -13.035 1.00 0.60 H new ATOM 0 HD2 HIS A 31 8.898 4.582 -13.450 1.00 1.11 H new ATOM 0 HE1 HIS A 31 5.418 2.266 -14.148 1.00 1.16 H new ATOM 0 HE2 HIS A 31 6.407 4.612 -14.220 1.00 0.94 H new ATOM 473 N ARG A 32 11.660 1.412 -9.539 1.00 0.53 N ATOM 474 CA ARG A 32 12.787 0.686 -8.965 1.00 0.61 C ATOM 475 C ARG A 32 12.298 -0.346 -7.958 1.00 0.56 C ATOM 476 O ARG A 32 13.075 -1.140 -7.424 1.00 0.66 O ATOM 477 CB ARG A 32 13.764 1.652 -8.292 1.00 0.71 C ATOM 478 CG ARG A 32 14.461 2.591 -9.262 1.00 0.81 C ATOM 479 CD ARG A 32 15.323 1.826 -10.250 1.00 1.64 C ATOM 480 NE ARG A 32 15.996 2.713 -11.193 1.00 2.26 N ATOM 481 CZ ARG A 32 16.994 2.338 -11.986 1.00 3.24 C ATOM 482 NH1 ARG A 32 17.444 1.088 -11.948 1.00 3.73 N ATOM 483 NH2 ARG A 32 17.537 3.208 -12.821 1.00 4.08 N ATOM 0 H ARG A 32 11.324 2.188 -8.969 1.00 0.53 H new ATOM 0 HA ARG A 32 13.307 0.171 -9.773 1.00 0.61 H new ATOM 0 HB2 ARG A 32 13.225 2.243 -7.552 1.00 0.71 H new ATOM 0 HB3 ARG A 32 14.517 1.077 -7.753 1.00 0.71 H new ATOM 0 HG2 ARG A 32 13.717 3.176 -9.803 1.00 0.81 H new ATOM 0 HG3 ARG A 32 15.079 3.296 -8.707 1.00 0.81 H new ATOM 0 HD2 ARG A 32 16.067 1.244 -9.706 1.00 1.64 H new ATOM 0 HD3 ARG A 32 14.703 1.117 -10.799 1.00 1.64 H new ATOM 0 HE ARG A 32 15.681 3.682 -11.247 1.00 2.26 H new ATOM 0 HH11 ARG A 32 17.023 0.414 -11.309 1.00 3.73 H new ATOM 0 HH12 ARG A 32 18.210 0.803 -12.558 1.00 3.73 H new ATOM 0 HH21 ARG A 32 17.190 4.166 -12.856 1.00 4.08 H new ATOM 0 HH22 ARG A 32 18.303 2.921 -13.430 1.00 4.08 H new ATOM 497 N ALA A 33 11.003 -0.320 -7.702 1.00 0.48 N ATOM 498 CA ALA A 33 10.375 -1.272 -6.807 1.00 0.45 C ATOM 499 C ALA A 33 9.178 -1.906 -7.492 1.00 0.43 C ATOM 500 O ALA A 33 8.562 -1.296 -8.367 1.00 0.49 O ATOM 501 CB ALA A 33 9.958 -0.591 -5.514 1.00 0.49 C ATOM 0 H ALA A 33 10.359 0.360 -8.108 1.00 0.48 H new ATOM 0 HA ALA A 33 11.092 -2.054 -6.559 1.00 0.45 H new ATOM 0 HB1 ALA A 33 9.488 -1.320 -4.854 1.00 0.49 H new ATOM 0 HB2 ALA A 33 10.837 -0.171 -5.024 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.250 0.207 -5.735 1.00 0.49 H new ATOM 507 N HIS A 34 8.865 -3.129 -7.111 1.00 0.39 N ATOM 508 CA HIS A 34 7.756 -3.857 -7.704 1.00 0.41 C ATOM 509 C HIS A 34 6.631 -3.980 -6.690 1.00 0.36 C ATOM 510 O HIS A 34 6.859 -4.377 -5.552 1.00 0.34 O ATOM 511 CB HIS A 34 8.225 -5.250 -8.157 1.00 0.48 C ATOM 512 CG HIS A 34 7.186 -6.043 -8.896 1.00 0.59 C ATOM 513 ND1 HIS A 34 7.109 -6.088 -10.272 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.191 -6.843 -8.440 1.00 0.63 C ATOM 515 CE1 HIS A 34 6.114 -6.881 -10.628 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.543 -7.352 -9.536 1.00 0.80 N ATOM 0 H HIS A 34 9.367 -3.644 -6.388 1.00 0.39 H new ATOM 0 HA HIS A 34 7.390 -3.315 -8.576 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.100 -5.135 -8.796 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.542 -5.816 -7.281 1.00 0.48 H new ATOM 0 HD2 HIS A 34 5.953 -7.042 -7.406 1.00 0.63 H new ATOM 0 HE1 HIS A 34 5.818 -7.106 -11.642 1.00 0.89 H new ATOM 0 HE2 HIS A 34 4.748 -7.991 -9.511 1.00 0.80 H new ATOM 525 N THR A 35 5.424 -3.645 -7.099 1.00 0.38 N ATOM 526 CA THR A 35 4.288 -3.697 -6.200 1.00 0.36 C ATOM 527 C THR A 35 3.335 -4.813 -6.603 1.00 0.39 C ATOM 528 O THR A 35 3.102 -5.045 -7.790 1.00 0.45 O ATOM 529 CB THR A 35 3.540 -2.352 -6.181 1.00 0.41 C ATOM 530 OG1 THR A 35 3.190 -1.960 -7.519 1.00 0.49 O ATOM 531 CG2 THR A 35 4.402 -1.273 -5.543 1.00 0.41 C ATOM 0 H THR A 35 5.204 -3.335 -8.045 1.00 0.38 H new ATOM 0 HA THR A 35 4.665 -3.900 -5.198 1.00 0.36 H new ATOM 0 HB THR A 35 2.631 -2.473 -5.592 1.00 0.41 H new ATOM 0 HG1 THR A 35 2.797 -1.062 -7.505 1.00 0.49 H new ATOM 0 HG21 THR A 35 3.858 -0.329 -5.538 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.644 -1.558 -4.519 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.323 -1.158 -6.114 1.00 0.41 H new ATOM 539 N ASP A 36 2.804 -5.516 -5.617 1.00 0.38 N ATOM 540 CA ASP A 36 1.911 -6.633 -5.880 1.00 0.44 C ATOM 541 C ASP A 36 0.596 -6.443 -5.138 1.00 0.39 C ATOM 542 O ASP A 36 0.583 -6.173 -3.933 1.00 0.47 O ATOM 543 CB ASP A 36 2.567 -7.958 -5.473 1.00 0.56 C ATOM 544 CG ASP A 36 1.712 -9.157 -5.829 1.00 0.92 C ATOM 545 OD1 ASP A 36 1.630 -9.499 -7.030 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.118 -9.763 -4.916 1.00 1.56 O ATOM 0 H ASP A 36 2.975 -5.334 -4.628 1.00 0.38 H new ATOM 0 HA ASP A 36 1.707 -6.666 -6.950 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.536 -8.047 -5.964 1.00 0.56 H new ATOM 0 HB3 ASP A 36 2.753 -7.954 -4.399 1.00 0.56 H new ATOM 551 N VAL A 37 -0.502 -6.569 -5.869 1.00 0.37 N ATOM 552 CA VAL A 37 -1.827 -6.377 -5.305 1.00 0.37 C ATOM 553 C VAL A 37 -2.381 -7.694 -4.784 1.00 0.36 C ATOM 554 O VAL A 37 -2.812 -8.554 -5.557 1.00 0.48 O ATOM 555 CB VAL A 37 -2.809 -5.786 -6.343 1.00 0.44 C ATOM 556 CG1 VAL A 37 -4.180 -5.555 -5.720 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.264 -4.492 -6.930 1.00 0.54 C ATOM 0 H VAL A 37 -0.499 -6.805 -6.861 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.727 -5.670 -4.482 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.918 -6.508 -7.152 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.854 -5.139 -6.468 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.580 -6.502 -5.358 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -4.088 -4.858 -4.887 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -2.972 -4.096 -7.657 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.117 -3.764 -6.132 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.311 -4.688 -7.421 1.00 0.54 H new ATOM 567 N VAL A 38 -2.348 -7.858 -3.474 1.00 0.34 N ATOM 568 CA VAL A 38 -2.906 -9.037 -2.841 1.00 0.36 C ATOM 569 C VAL A 38 -4.344 -8.750 -2.435 1.00 0.42 C ATOM 570 O VAL A 38 -4.614 -8.310 -1.312 1.00 0.46 O ATOM 571 CB VAL A 38 -2.090 -9.457 -1.602 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.538 -10.815 -1.094 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.604 -9.469 -1.911 1.00 0.46 C ATOM 0 H VAL A 38 -1.938 -7.185 -2.826 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.871 -9.859 -3.556 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.270 -8.722 -0.818 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -1.948 -11.089 -0.220 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -3.592 -10.772 -0.821 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.396 -11.561 -1.876 1.00 0.45 H new ATOM 0 HG21 VAL A 38 -0.050 -9.768 -1.021 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.406 -10.176 -2.717 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.288 -8.472 -2.217 1.00 0.46 H new ATOM 583 N GLY A 39 -5.257 -8.975 -3.361 1.00 0.58 N ATOM 584 CA GLY A 39 -6.639 -8.623 -3.135 1.00 0.74 C ATOM 585 C GLY A 39 -7.469 -9.791 -2.664 1.00 0.69 C ATOM 586 O GLY A 39 -6.961 -10.704 -2.013 1.00 0.84 O ATOM 0 H GLY A 39 -5.065 -9.397 -4.270 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.690 -7.825 -2.394 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -7.065 -8.229 -4.058 1.00 0.74 H new ATOM 682 N THR A 47 -7.781 -6.192 1.085 1.00 0.89 N ATOM 683 CA THR A 47 -6.812 -5.929 0.035 1.00 0.62 C ATOM 684 C THR A 47 -5.570 -5.237 0.597 1.00 0.51 C ATOM 685 O THR A 47 -5.672 -4.355 1.452 1.00 0.59 O ATOM 686 CB THR A 47 -7.433 -5.055 -1.070 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.704 -5.597 -1.457 1.00 0.76 O ATOM 688 CG2 THR A 47 -6.521 -4.970 -2.290 1.00 0.55 C ATOM 0 HA THR A 47 -6.517 -6.888 -0.391 1.00 0.62 H new ATOM 0 HB THR A 47 -7.564 -4.049 -0.672 1.00 0.62 H new ATOM 0 HG1 THR A 47 -9.130 -6.019 -0.681 1.00 0.76 H new ATOM 0 HG21 THR A 47 -6.989 -4.346 -3.051 1.00 0.55 H new ATOM 0 HG22 THR A 47 -5.565 -4.534 -2.000 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.356 -5.970 -2.692 1.00 0.55 H new ATOM 696 N GLN A 48 -4.406 -5.647 0.118 1.00 0.40 N ATOM 697 CA GLN A 48 -3.151 -5.071 0.565 1.00 0.36 C ATOM 698 C GLN A 48 -2.202 -4.934 -0.612 1.00 0.33 C ATOM 699 O GLN A 48 -2.233 -5.744 -1.540 1.00 0.40 O ATOM 700 CB GLN A 48 -2.510 -5.942 1.652 1.00 0.36 C ATOM 701 CG GLN A 48 -2.126 -7.335 1.176 1.00 0.39 C ATOM 702 CD GLN A 48 -1.461 -8.171 2.254 1.00 0.49 C ATOM 703 OE1 GLN A 48 -0.236 -8.156 2.397 1.00 1.06 O ATOM 704 NE2 GLN A 48 -2.254 -8.918 3.008 1.00 1.04 N ATOM 0 H GLN A 48 -4.306 -6.380 -0.584 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.352 -4.086 0.987 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.620 -5.439 2.029 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.204 -6.032 2.488 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.019 -7.851 0.824 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.451 -7.248 0.324 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -3.263 -8.903 2.858 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -1.856 -9.508 3.738 1.00 1.04 H new ATOM 713 N VAL A 49 -1.374 -3.909 -0.590 1.00 0.29 N ATOM 714 CA VAL A 49 -0.374 -3.741 -1.622 1.00 0.29 C ATOM 715 C VAL A 49 1.018 -3.791 -1.008 1.00 0.28 C ATOM 716 O VAL A 49 1.349 -3.019 -0.106 1.00 0.30 O ATOM 717 CB VAL A 49 -0.573 -2.432 -2.424 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.539 -1.209 -1.519 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.474 -2.317 -3.521 1.00 0.36 C ATOM 0 H VAL A 49 -1.374 -3.184 0.128 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.486 -4.563 -2.329 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.560 -2.472 -2.884 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.682 -0.309 -2.118 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.335 -1.282 -0.778 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.425 -1.158 -1.012 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.320 -1.391 -4.075 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.469 -2.312 -3.075 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.385 -3.165 -4.200 1.00 0.36 H new ATOM 729 N ARG A 50 1.808 -4.745 -1.460 1.00 0.31 N ATOM 730 CA ARG A 50 3.153 -4.910 -0.942 1.00 0.30 C ATOM 731 C ARG A 50 4.189 -4.385 -1.922 1.00 0.27 C ATOM 732 O ARG A 50 4.061 -4.552 -3.134 1.00 0.30 O ATOM 733 CB ARG A 50 3.424 -6.375 -0.586 1.00 0.34 C ATOM 734 CG ARG A 50 3.154 -7.353 -1.715 1.00 0.39 C ATOM 735 CD ARG A 50 3.253 -8.792 -1.231 1.00 0.52 C ATOM 736 NE ARG A 50 2.359 -9.052 -0.098 1.00 1.34 N ATOM 737 CZ ARG A 50 2.125 -10.263 0.407 1.00 1.60 C ATOM 738 NH1 ARG A 50 2.713 -11.329 -0.120 1.00 1.15 N ATOM 739 NH2 ARG A 50 1.300 -10.403 1.439 1.00 2.62 N ATOM 0 H ARG A 50 1.544 -5.415 -2.182 1.00 0.31 H new ATOM 0 HA ARG A 50 3.234 -4.320 -0.029 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.464 -6.475 -0.276 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.808 -6.648 0.271 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.161 -7.172 -2.127 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.868 -7.188 -2.522 1.00 0.39 H new ATOM 0 HD2 ARG A 50 3.007 -9.468 -2.050 1.00 0.52 H new ATOM 0 HD3 ARG A 50 4.281 -9.007 -0.939 1.00 0.52 H new ATOM 0 HE ARG A 50 1.887 -8.256 0.331 1.00 1.34 H new ATOM 0 HH11 ARG A 50 3.346 -11.223 -0.913 1.00 1.15 H new ATOM 0 HH12 ARG A 50 2.533 -12.255 0.268 1.00 1.15 H new ATOM 0 HH21 ARG A 50 0.846 -9.584 1.844 1.00 2.62 H new ATOM 0 HH22 ARG A 50 1.120 -11.329 1.826 1.00 2.62 H new ATOM 753 N ILE A 51 5.202 -3.738 -1.375 1.00 0.24 N ATOM 754 CA ILE A 51 6.269 -3.157 -2.162 1.00 0.23 C ATOM 755 C ILE A 51 7.546 -3.956 -1.956 1.00 0.24 C ATOM 756 O ILE A 51 8.083 -4.010 -0.849 1.00 0.27 O ATOM 757 CB ILE A 51 6.525 -1.689 -1.759 1.00 0.28 C ATOM 758 CG1 ILE A 51 5.204 -0.921 -1.677 1.00 0.34 C ATOM 759 CG2 ILE A 51 7.464 -1.028 -2.759 1.00 0.31 C ATOM 760 CD1 ILE A 51 5.344 0.466 -1.087 1.00 0.42 C ATOM 0 H ILE A 51 5.306 -3.602 -0.370 1.00 0.24 H new ATOM 0 HA ILE A 51 5.970 -3.184 -3.210 1.00 0.23 H new ATOM 0 HB ILE A 51 6.994 -1.672 -0.775 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.778 -0.840 -2.677 1.00 0.34 H new ATOM 0 HG13 ILE A 51 4.498 -1.493 -1.075 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.638 0.007 -2.465 1.00 0.31 H new ATOM 0 HG22 ILE A 51 8.413 -1.564 -2.777 1.00 0.31 H new ATOM 0 HG23 ILE A 51 7.014 -1.053 -3.752 1.00 0.31 H new ATOM 0 HD11 ILE A 51 4.368 0.950 -1.060 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.740 0.392 -0.074 1.00 0.42 H new ATOM 0 HD13 ILE A 51 6.025 1.056 -1.701 1.00 0.42 H new ATOM 772 N VAL A 52 8.008 -4.591 -3.016 1.00 0.24 N ATOM 773 CA VAL A 52 9.202 -5.413 -2.960 1.00 0.30 C ATOM 774 C VAL A 52 10.297 -4.805 -3.828 1.00 0.34 C ATOM 775 O VAL A 52 10.037 -4.353 -4.945 1.00 0.33 O ATOM 776 CB VAL A 52 8.908 -6.856 -3.430 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.139 -7.745 -3.289 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.732 -7.441 -2.660 1.00 0.38 C ATOM 0 H VAL A 52 7.569 -4.552 -3.936 1.00 0.24 H new ATOM 0 HA VAL A 52 9.537 -5.450 -1.923 1.00 0.30 H new ATOM 0 HB VAL A 52 8.644 -6.817 -4.487 1.00 0.36 H new ATOM 0 HG11 VAL A 52 9.900 -8.753 -3.627 1.00 0.46 H new ATOM 0 HG12 VAL A 52 10.951 -7.341 -3.895 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.447 -7.777 -2.244 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.540 -8.457 -3.005 1.00 0.38 H new ATOM 0 HG22 VAL A 52 7.966 -7.457 -1.596 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.846 -6.828 -2.827 1.00 0.38 H new ATOM 788 N ALA A 53 11.509 -4.772 -3.303 1.00 0.42 N ATOM 789 CA ALA A 53 12.639 -4.222 -4.031 1.00 0.53 C ATOM 790 C ALA A 53 13.562 -5.331 -4.532 1.00 0.73 C ATOM 791 O ALA A 53 14.327 -5.909 -3.757 1.00 0.93 O ATOM 792 CB ALA A 53 13.408 -3.252 -3.149 1.00 0.70 C ATOM 0 H ALA A 53 11.736 -5.121 -2.372 1.00 0.42 H new ATOM 0 HA ALA A 53 12.256 -3.685 -4.899 1.00 0.53 H new ATOM 0 HB1 ALA A 53 14.253 -2.846 -3.705 1.00 0.70 H new ATOM 0 HB2 ALA A 53 12.750 -2.438 -2.843 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.773 -3.775 -2.265 1.00 0.70 H new ATOM 941 N ALA A 63 21.127 -4.999 6.068 1.00 0.92 N ATOM 942 CA ALA A 63 21.219 -6.216 5.272 1.00 0.91 C ATOM 943 C ALA A 63 19.854 -6.875 5.135 1.00 0.78 C ATOM 944 O ALA A 63 19.703 -8.074 5.368 1.00 0.94 O ATOM 945 CB ALA A 63 22.217 -7.183 5.892 1.00 1.16 C ATOM 0 HA ALA A 63 21.570 -5.947 4.276 1.00 0.91 H new ATOM 0 HB1 ALA A 63 22.273 -8.087 5.285 1.00 1.16 H new ATOM 0 HB2 ALA A 63 23.200 -6.713 5.936 1.00 1.16 H new ATOM 0 HB3 ALA A 63 21.894 -7.443 6.900 1.00 1.16 H new ATOM 951 N HIS A 64 18.858 -6.080 4.771 1.00 0.60 N ATOM 952 CA HIS A 64 17.495 -6.573 4.630 1.00 0.51 C ATOM 953 C HIS A 64 16.809 -5.914 3.440 1.00 0.47 C ATOM 954 O HIS A 64 16.679 -4.686 3.394 1.00 0.48 O ATOM 955 CB HIS A 64 16.678 -6.298 5.899 1.00 0.54 C ATOM 956 CG HIS A 64 17.195 -6.986 7.126 1.00 0.73 C ATOM 957 ND1 HIS A 64 16.861 -8.278 7.460 1.00 0.99 N ATOM 958 CD2 HIS A 64 18.027 -6.552 8.102 1.00 1.01 C ATOM 959 CE1 HIS A 64 17.462 -8.609 8.587 1.00 1.13 C ATOM 960 NE2 HIS A 64 18.178 -7.581 8.996 1.00 1.10 N ATOM 0 H HIS A 64 18.969 -5.087 4.567 1.00 0.60 H new ATOM 0 HA HIS A 64 17.548 -7.650 4.468 1.00 0.51 H new ATOM 0 HB2 HIS A 64 16.660 -5.223 6.080 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.648 -6.610 5.729 1.00 0.54 H new ATOM 0 HD2 HIS A 64 18.486 -5.577 8.165 1.00 1.01 H new ATOM 0 HE1 HIS A 64 17.381 -9.562 9.089 1.00 1.13 H new ATOM 0 HE2 HIS A 64 18.751 -7.555 9.840 1.00 1.10 H new ATOM 969 N PRO A 65 16.371 -6.719 2.457 1.00 0.58 N ATOM 970 CA PRO A 65 15.650 -6.216 1.286 1.00 0.64 C ATOM 971 C PRO A 65 14.293 -5.638 1.669 1.00 0.53 C ATOM 972 O PRO A 65 13.657 -6.102 2.619 1.00 0.54 O ATOM 973 CB PRO A 65 15.472 -7.456 0.403 1.00 0.84 C ATOM 974 CG PRO A 65 15.600 -8.614 1.330 1.00 1.08 C ATOM 975 CD PRO A 65 16.552 -8.182 2.409 1.00 0.77 C ATOM 0 HA PRO A 65 16.187 -5.408 0.790 1.00 0.64 H new ATOM 0 HB2 PRO A 65 14.500 -7.452 -0.091 1.00 0.84 H new ATOM 0 HB3 PRO A 65 16.228 -7.493 -0.381 1.00 0.84 H new ATOM 0 HG2 PRO A 65 14.632 -8.885 1.751 1.00 1.08 H new ATOM 0 HG3 PRO A 65 15.977 -9.492 0.806 1.00 1.08 H new ATOM 0 HD2 PRO A 65 16.314 -8.648 3.365 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.580 -8.452 2.170 1.00 0.77 H new ATOM 983 N LEU A 66 13.855 -4.630 0.934 1.00 0.50 N ATOM 984 CA LEU A 66 12.604 -3.957 1.243 1.00 0.44 C ATOM 985 C LEU A 66 11.419 -4.850 0.880 1.00 0.35 C ATOM 986 O LEU A 66 11.297 -5.316 -0.258 1.00 0.37 O ATOM 987 CB LEU A 66 12.529 -2.616 0.501 1.00 0.52 C ATOM 988 CG LEU A 66 11.633 -1.543 1.137 1.00 0.71 C ATOM 989 CD1 LEU A 66 11.890 -0.195 0.489 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.160 -1.903 1.011 1.00 1.05 C ATOM 0 H LEU A 66 14.346 -4.260 0.120 1.00 0.50 H new ATOM 0 HA LEU A 66 12.563 -3.758 2.314 1.00 0.44 H new ATOM 0 HB2 LEU A 66 13.539 -2.214 0.416 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.174 -2.804 -0.512 1.00 0.52 H new ATOM 0 HG LEU A 66 11.880 -1.489 2.197 1.00 0.71 H new ATOM 0 HD11 LEU A 66 11.249 0.558 0.948 1.00 1.20 H new ATOM 0 HD12 LEU A 66 12.934 0.083 0.630 1.00 1.20 H new ATOM 0 HD13 LEU A 66 11.671 -0.256 -0.577 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.554 -1.123 1.471 1.00 1.05 H new ATOM 0 HD22 LEU A 66 9.896 -1.993 -0.043 1.00 1.05 H new ATOM 0 HD23 LEU A 66 9.973 -2.852 1.514 1.00 1.05 H new ATOM 1002 N ASN A 67 10.573 -5.099 1.869 1.00 0.32 N ATOM 1003 CA ASN A 67 9.344 -5.858 1.686 1.00 0.31 C ATOM 1004 C ASN A 67 8.287 -5.314 2.637 1.00 0.30 C ATOM 1005 O ASN A 67 8.220 -5.715 3.806 1.00 0.40 O ATOM 1006 CB ASN A 67 9.557 -7.352 1.957 1.00 0.42 C ATOM 1007 CG ASN A 67 8.329 -8.182 1.611 1.00 0.51 C ATOM 1008 OD1 ASN A 67 8.231 -8.750 0.524 1.00 0.63 O ATOM 1009 ND2 ASN A 67 7.370 -8.238 2.523 1.00 0.54 N ATOM 0 H ASN A 67 10.720 -4.779 2.826 1.00 0.32 H new ATOM 0 HA ASN A 67 9.022 -5.751 0.650 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.408 -7.707 1.376 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.806 -7.497 3.008 1.00 0.42 H new ATOM 0 HD21 ASN A 67 6.517 -8.764 2.334 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.485 -7.755 3.414 1.00 0.54 H new ATOM 1016 N LEU A 68 7.470 -4.412 2.130 1.00 0.26 N ATOM 1017 CA LEU A 68 6.492 -3.714 2.950 1.00 0.24 C ATOM 1018 C LEU A 68 5.079 -4.070 2.516 1.00 0.23 C ATOM 1019 O LEU A 68 4.779 -4.072 1.330 1.00 0.25 O ATOM 1020 CB LEU A 68 6.701 -2.199 2.827 1.00 0.26 C ATOM 1021 CG LEU A 68 5.645 -1.331 3.510 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.747 -1.447 5.019 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.781 0.118 3.074 1.00 0.32 C ATOM 0 H LEU A 68 7.462 -4.142 1.146 1.00 0.26 H new ATOM 0 HA LEU A 68 6.627 -4.019 3.988 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.677 -1.949 3.244 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.731 -1.939 1.769 1.00 0.26 H new ATOM 0 HG LEU A 68 4.661 -1.690 3.207 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.986 -0.821 5.484 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.594 -2.485 5.315 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.735 -1.119 5.343 1.00 0.31 H new ATOM 0 HD21 LEU A 68 5.021 0.720 3.571 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.770 0.488 3.344 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.650 0.187 1.994 1.00 0.32 H new ATOM 1035 N ALA A 69 4.220 -4.372 3.472 1.00 0.24 N ATOM 1036 CA ALA A 69 2.825 -4.646 3.169 1.00 0.25 C ATOM 1037 C ALA A 69 1.925 -3.586 3.785 1.00 0.24 C ATOM 1038 O ALA A 69 1.863 -3.439 5.005 1.00 0.28 O ATOM 1039 CB ALA A 69 2.427 -6.027 3.659 1.00 0.30 C ATOM 0 H ALA A 69 4.461 -4.434 4.461 1.00 0.24 H new ATOM 0 HA ALA A 69 2.703 -4.618 2.086 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.379 -6.209 3.421 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.046 -6.779 3.170 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.569 -6.085 4.738 1.00 0.30 H new ATOM 1045 N LEU A 70 1.246 -2.842 2.930 1.00 0.22 N ATOM 1046 CA LEU A 70 0.342 -1.795 3.372 1.00 0.22 C ATOM 1047 C LEU A 70 -1.078 -2.332 3.452 1.00 0.23 C ATOM 1048 O LEU A 70 -1.655 -2.724 2.435 1.00 0.28 O ATOM 1049 CB LEU A 70 0.394 -0.612 2.398 1.00 0.23 C ATOM 1050 CG LEU A 70 1.738 0.118 2.313 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.748 1.068 1.131 1.00 0.27 C ATOM 1052 CD2 LEU A 70 2.019 0.880 3.599 1.00 0.25 C ATOM 0 H LEU A 70 1.305 -2.945 1.917 1.00 0.22 H new ATOM 0 HA LEU A 70 0.652 -1.457 4.361 1.00 0.22 H new ATOM 0 HB2 LEU A 70 0.133 -0.972 1.403 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.372 0.107 2.687 1.00 0.23 H new ATOM 0 HG LEU A 70 2.522 -0.626 2.174 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.709 1.580 1.083 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.590 0.505 0.211 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.951 1.803 1.248 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.978 1.391 3.517 1.00 0.25 H new ATOM 0 HD22 LEU A 70 1.230 1.613 3.767 1.00 0.25 H new ATOM 0 HD23 LEU A 70 2.050 0.182 4.436 1.00 0.25 H new ATOM 1064 N THR A 71 -1.633 -2.370 4.654 1.00 0.21 N ATOM 1065 CA THR A 71 -3.004 -2.815 4.833 1.00 0.23 C ATOM 1066 C THR A 71 -3.841 -1.678 5.404 1.00 0.22 C ATOM 1067 O THR A 71 -3.327 -0.839 6.144 1.00 0.21 O ATOM 1068 CB THR A 71 -3.088 -4.043 5.771 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.573 -3.716 7.067 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.306 -5.222 5.212 1.00 0.52 C ATOM 0 H THR A 71 -1.157 -2.099 5.515 1.00 0.21 H new ATOM 0 HA THR A 71 -3.391 -3.110 3.858 1.00 0.23 H new ATOM 0 HB THR A 71 -4.139 -4.322 5.849 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.703 -3.276 6.972 1.00 0.75 H new ATOM 0 HG21 THR A 71 -2.385 -6.068 5.895 1.00 0.52 H new ATOM 0 HG22 THR A 71 -2.713 -5.501 4.240 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.258 -4.943 5.100 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.120 -1.652 5.068 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.005 -0.599 5.539 1.00 0.27 C ATOM 1080 C TRP A 72 -7.245 -1.195 6.182 1.00 0.28 C ATOM 1081 O TRP A 72 -7.694 -2.281 5.808 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.401 0.335 4.387 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.259 1.153 3.856 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -4.791 2.330 4.369 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.452 0.868 2.706 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -3.737 2.786 3.617 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.510 1.908 2.591 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.429 -0.167 1.766 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.561 1.945 1.574 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.485 -0.128 0.757 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.562 0.921 0.670 1.00 0.31 C ATOM 0 H TRP A 72 -5.569 -2.347 4.471 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.470 -0.015 6.287 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -6.819 -0.260 3.575 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.189 1.006 4.729 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.192 2.829 5.239 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.209 3.640 3.794 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.136 -0.982 1.827 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -1.849 2.754 1.502 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.459 -0.920 0.023 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.835 0.921 -0.129 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.769 -0.486 7.171 1.00 0.31 N ATOM 1103 CA ASN A 73 -8.967 -0.905 7.886 1.00 0.35 C ATOM 1104 C ASN A 73 -10.144 -1.044 6.931 1.00 0.31 C ATOM 1105 O ASN A 73 -10.415 -0.150 6.129 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.302 0.110 8.982 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.255 0.144 10.080 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.633 -0.872 10.391 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -8.042 1.312 10.665 1.00 0.94 N ATOM 0 H ASN A 73 -7.376 0.396 7.501 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.775 -1.877 8.341 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.392 1.102 8.539 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.271 -0.135 9.416 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.342 1.393 11.402 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.578 2.131 10.379 1.00 0.94 H new ATOM 1116 N THR A 74 -10.839 -2.175 7.033 1.00 0.36 N ATOM 1117 CA THR A 74 -11.964 -2.491 6.157 1.00 0.38 C ATOM 1118 C THR A 74 -13.059 -1.429 6.247 1.00 0.37 C ATOM 1119 O THR A 74 -13.800 -1.213 5.293 1.00 0.38 O ATOM 1120 CB THR A 74 -12.561 -3.873 6.502 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.516 -4.856 6.551 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.605 -4.294 5.475 1.00 0.71 C ATOM 0 H THR A 74 -10.638 -2.897 7.725 1.00 0.36 H new ATOM 0 HA THR A 74 -11.579 -2.510 5.137 1.00 0.38 H new ATOM 0 HB THR A 74 -13.045 -3.798 7.476 1.00 0.50 H new ATOM 0 HG1 THR A 74 -11.899 -5.730 6.772 1.00 0.74 H new ATOM 0 HG21 THR A 74 -14.007 -5.271 5.744 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.412 -3.562 5.456 1.00 0.71 H new ATOM 0 HG23 THR A 74 -13.143 -4.351 4.489 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.150 -0.773 7.397 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.101 0.315 7.593 1.00 0.45 C ATOM 1132 C ASP A 75 -13.791 1.463 6.640 1.00 0.40 C ATOM 1133 O ASP A 75 -14.684 2.005 5.990 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.057 0.803 9.044 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.513 -0.255 10.027 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -13.801 -1.274 10.188 1.00 1.98 O ATOM 1137 OD2 ASP A 75 -15.587 -0.082 10.641 1.00 1.37 O ATOM 0 H ASP A 75 -12.573 -0.977 8.213 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.104 -0.055 7.380 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -13.040 1.109 9.290 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -14.689 1.685 9.146 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.514 1.823 6.566 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.046 2.826 5.616 1.00 0.44 C ATOM 1144 C GLU A 76 -12.371 2.407 4.191 1.00 0.38 C ATOM 1145 O GLU A 76 -12.873 3.202 3.400 1.00 0.41 O ATOM 1146 CB GLU A 76 -10.539 3.032 5.751 1.00 0.53 C ATOM 1147 CG GLU A 76 -10.120 3.581 7.099 1.00 0.85 C ATOM 1148 CD GLU A 76 -10.654 4.975 7.346 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -10.123 5.934 6.750 1.00 1.25 O ATOM 1150 OE2 GLU A 76 -11.613 5.117 8.135 1.00 1.57 O ATOM 0 H GLU A 76 -11.780 1.432 7.157 1.00 0.39 H new ATOM 0 HA GLU A 76 -12.557 3.762 5.839 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -10.034 2.081 5.583 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.203 3.714 4.970 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -10.474 2.915 7.886 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -9.032 3.596 7.160 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.081 1.149 3.878 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.359 0.592 2.555 1.00 0.34 C ATOM 1159 C ILE A 77 -13.849 0.696 2.224 1.00 0.34 C ATOM 1160 O ILE A 77 -14.226 1.057 1.110 1.00 0.37 O ATOM 1161 CB ILE A 77 -11.914 -0.889 2.476 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.411 -1.018 2.777 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.235 -1.477 1.108 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -9.899 -2.447 2.729 1.00 0.40 C ATOM 0 H ILE A 77 -11.650 0.490 4.526 1.00 0.34 H new ATOM 0 HA ILE A 77 -11.792 1.172 1.827 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.467 -1.451 3.228 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -9.853 -0.417 2.059 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.210 -0.603 3.765 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -11.914 -2.518 1.075 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.309 -1.423 0.932 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -11.712 -0.911 0.337 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -8.832 -2.459 2.951 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.430 -3.049 3.467 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.067 -2.860 1.735 1.00 0.40 H new ATOM 1176 N GLU A 78 -14.684 0.399 3.212 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.130 0.499 3.069 1.00 0.37 C ATOM 1178 C GLU A 78 -16.530 1.936 2.757 1.00 0.38 C ATOM 1179 O GLU A 78 -17.391 2.192 1.912 1.00 0.40 O ATOM 1180 CB GLU A 78 -16.803 0.036 4.368 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.319 0.137 4.360 1.00 0.64 C ATOM 1182 CD GLU A 78 -18.925 -0.242 5.694 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -19.044 -1.451 5.981 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -19.292 0.669 6.464 1.00 2.15 O ATOM 0 H GLU A 78 -14.378 0.083 4.132 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.454 -0.138 2.246 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.521 -0.999 4.560 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -16.416 0.631 5.195 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -18.612 1.156 4.106 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -18.721 -0.513 3.583 1.00 0.64 H new ATOM 1191 N ARG A 79 -15.878 2.867 3.437 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.157 4.284 3.279 1.00 0.45 C ATOM 1193 C ARG A 79 -15.807 4.760 1.874 1.00 0.42 C ATOM 1194 O ARG A 79 -16.440 5.674 1.352 1.00 0.45 O ATOM 1195 CB ARG A 79 -15.368 5.090 4.315 1.00 0.56 C ATOM 1196 CG ARG A 79 -15.742 6.564 4.371 1.00 1.06 C ATOM 1197 CD ARG A 79 -17.210 6.747 4.716 1.00 1.60 C ATOM 1198 NE ARG A 79 -17.572 8.152 4.883 1.00 2.14 N ATOM 1199 CZ ARG A 79 -18.828 8.592 4.945 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -19.841 7.742 4.828 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -19.072 9.883 5.132 1.00 3.96 N ATOM 0 H ARG A 79 -15.142 2.661 4.112 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.225 4.440 3.435 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -15.525 4.649 5.299 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -14.304 5.004 4.093 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -15.126 7.070 5.114 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -15.531 7.032 3.409 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -17.823 6.308 3.929 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -17.435 6.205 5.635 1.00 1.60 H new ATOM 0 HE ARG A 79 -16.819 8.836 4.956 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -19.659 6.748 4.690 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -20.801 8.083 4.876 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -18.297 10.540 5.228 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -20.034 10.219 5.179 1.00 3.96 H new ATOM 1215 N LEU A 80 -14.817 4.119 1.258 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.318 4.542 -0.051 1.00 0.44 C ATOM 1217 C LEU A 80 -15.362 4.335 -1.143 1.00 0.47 C ATOM 1218 O LEU A 80 -15.253 4.902 -2.232 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.038 3.784 -0.414 1.00 0.48 C ATOM 1220 CG LEU A 80 -11.876 3.945 0.570 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -10.641 3.237 0.046 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -11.573 5.416 0.834 1.00 0.55 C ATOM 0 H LEU A 80 -14.343 3.303 1.644 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.098 5.607 0.017 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.276 2.724 -0.498 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -12.707 4.116 -1.398 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.171 3.489 1.515 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -9.823 3.360 0.756 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -10.856 2.176 -0.080 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -10.356 3.666 -0.915 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -10.743 5.496 1.536 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.305 5.906 -0.102 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.454 5.899 1.257 1.00 0.55 H new ATOM 1234 N MET A 81 -16.380 3.545 -0.840 1.00 0.49 N ATOM 1235 CA MET A 81 -17.433 3.263 -1.807 1.00 0.57 C ATOM 1236 C MET A 81 -18.501 4.349 -1.764 1.00 0.53 C ATOM 1237 O MET A 81 -19.383 4.406 -2.622 1.00 0.61 O ATOM 1238 CB MET A 81 -18.062 1.890 -1.549 1.00 0.67 C ATOM 1239 CG MET A 81 -17.113 0.724 -1.793 1.00 0.79 C ATOM 1240 SD MET A 81 -16.447 0.698 -3.472 1.00 1.85 S ATOM 1241 CE MET A 81 -17.945 0.552 -4.444 1.00 2.59 C ATOM 0 H MET A 81 -16.501 3.088 0.064 1.00 0.49 H new ATOM 0 HA MET A 81 -16.984 3.251 -2.800 1.00 0.57 H new ATOM 0 HB2 MET A 81 -18.414 1.850 -0.518 1.00 0.67 H new ATOM 0 HB3 MET A 81 -18.936 1.775 -2.190 1.00 0.67 H new ATOM 0 HG2 MET A 81 -16.289 0.778 -1.082 1.00 0.79 H new ATOM 0 HG3 MET A 81 -17.638 -0.212 -1.602 1.00 0.79 H new ATOM 0 HE1 MET A 81 -17.691 0.259 -5.463 1.00 2.59 H new ATOM 0 HE2 MET A 81 -18.594 -0.203 -4.001 1.00 2.59 H new ATOM 0 HE3 MET A 81 -18.463 1.511 -4.461 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.408 5.217 -0.766 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.355 6.308 -0.603 1.00 0.48 C ATOM 1253 C GLU A 82 -18.798 7.597 -1.208 1.00 0.43 C ATOM 1254 O GLU A 82 -17.613 7.658 -1.548 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.667 6.515 0.887 1.00 0.56 C ATOM 1256 CG GLU A 82 -20.368 5.335 1.539 1.00 1.21 C ATOM 1257 CD GLU A 82 -21.726 5.057 0.931 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -22.670 5.827 1.199 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -21.861 4.070 0.185 1.00 2.34 O ATOM 0 H GLU A 82 -17.680 5.185 -0.053 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.276 6.050 -1.127 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -18.736 6.711 1.419 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -20.291 7.402 0.998 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -19.743 4.447 1.443 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -20.484 5.530 2.605 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.640 8.616 -1.347 1.00 0.52 N ATOM 1267 CA ALA A 83 -19.215 9.895 -1.917 1.00 0.61 C ATOM 1268 C ALA A 83 -18.057 10.505 -1.125 1.00 0.55 C ATOM 1269 O ALA A 83 -17.044 10.923 -1.699 1.00 0.57 O ATOM 1270 CB ALA A 83 -20.388 10.863 -1.977 1.00 0.79 C ATOM 0 H ALA A 83 -20.622 8.583 -1.073 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.860 9.707 -2.930 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -20.057 11.810 -2.403 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -21.177 10.441 -2.600 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.772 11.032 -0.971 1.00 0.79 H new ATOM 1276 N ASP A 84 -18.198 10.532 0.196 1.00 0.57 N ATOM 1277 CA ASP A 84 -17.156 11.069 1.071 1.00 0.61 C ATOM 1278 C ASP A 84 -15.930 10.168 1.062 1.00 0.49 C ATOM 1279 O ASP A 84 -14.845 10.559 1.494 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.669 11.225 2.507 1.00 0.77 C ATOM 1281 CG ASP A 84 -18.690 12.335 2.652 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -19.860 12.120 2.272 1.00 1.76 O ATOM 1283 OD2 ASP A 84 -18.326 13.431 3.128 1.00 1.47 O ATOM 0 H ASP A 84 -19.024 10.189 0.687 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.879 12.052 0.690 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -18.114 10.285 2.833 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -16.826 11.425 3.169 1.00 0.77 H new ATOM 1288 N GLY A 85 -16.107 8.964 0.551 1.00 0.43 N ATOM 1289 CA GLY A 85 -15.017 8.024 0.476 1.00 0.41 C ATOM 1290 C GLY A 85 -14.053 8.386 -0.623 1.00 0.38 C ATOM 1291 O GLY A 85 -12.841 8.396 -0.410 1.00 0.39 O ATOM 0 H GLY A 85 -16.994 8.620 0.184 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.490 7.999 1.430 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.410 7.022 0.302 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.588 8.681 -1.802 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.773 9.161 -2.910 1.00 0.46 C ATOM 1297 C ALA A 86 -12.989 10.407 -2.513 1.00 0.45 C ATOM 1298 O ALA A 86 -11.844 10.587 -2.927 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.647 9.449 -4.120 1.00 0.57 C ATOM 0 H ALA A 86 -15.582 8.596 -2.015 1.00 0.41 H new ATOM 0 HA ALA A 86 -13.058 8.380 -3.169 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -14.026 9.807 -4.941 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -15.159 8.536 -4.424 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.384 10.211 -3.864 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.609 11.259 -1.700 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.950 12.462 -1.201 1.00 0.53 C ATOM 1307 C ALA A 87 -11.718 12.112 -0.367 1.00 0.48 C ATOM 1308 O ALA A 87 -10.707 12.818 -0.407 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.921 13.300 -0.384 1.00 0.63 C ATOM 0 H ALA A 87 -14.568 11.138 -1.373 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.620 13.045 -2.061 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.413 14.193 -0.020 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.765 13.592 -1.009 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.282 12.717 0.463 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.804 11.013 0.379 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.678 10.543 1.179 1.00 0.48 C ATOM 1317 C ARG A 88 -9.586 9.968 0.283 1.00 0.40 C ATOM 1318 O ARG A 88 -8.401 10.196 0.513 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.115 9.476 2.187 1.00 0.56 C ATOM 1320 CG ARG A 88 -11.944 10.009 3.343 1.00 0.96 C ATOM 1321 CD ARG A 88 -12.192 8.925 4.382 1.00 1.41 C ATOM 1322 NE ARG A 88 -12.909 9.432 5.550 1.00 1.91 N ATOM 1323 CZ ARG A 88 -13.048 8.760 6.694 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -12.507 7.553 6.836 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -13.717 9.303 7.701 1.00 3.71 N ATOM 0 H ARG A 88 -12.640 10.433 0.446 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.288 11.402 1.725 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -11.691 8.713 1.664 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -10.227 8.986 2.587 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -11.429 10.851 3.806 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -12.897 10.384 2.969 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -12.765 8.115 3.930 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -11.238 8.503 4.699 1.00 1.41 H new ATOM 0 HE ARG A 88 -13.330 10.359 5.487 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -11.982 7.136 6.067 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -12.617 7.045 7.713 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -14.124 10.233 7.600 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -13.825 8.791 8.577 1.00 3.71 H new ATOM 1339 N PHE A 89 -9.998 9.235 -0.747 1.00 0.35 N ATOM 1340 CA PHE A 89 -9.058 8.576 -1.648 1.00 0.34 C ATOM 1341 C PHE A 89 -8.195 9.604 -2.376 1.00 0.33 C ATOM 1342 O PHE A 89 -6.975 9.460 -2.444 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.808 7.696 -2.657 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.914 6.816 -3.492 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -8.364 5.658 -2.965 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.614 7.157 -4.802 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -7.537 4.857 -3.730 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.787 6.360 -5.569 1.00 0.54 C ATOM 1349 CZ PHE A 89 -7.283 5.177 -5.036 1.00 0.58 C ATOM 0 H PHE A 89 -10.979 9.082 -0.979 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.403 7.940 -1.052 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.517 7.068 -2.118 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.390 8.337 -3.319 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -8.584 5.378 -1.945 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -9.032 8.057 -5.228 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -7.090 3.975 -3.295 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.533 6.653 -6.577 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.693 4.514 -5.651 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.832 10.651 -2.893 1.00 0.35 N ATOM 1360 CA GLU A 90 -8.114 11.704 -3.603 1.00 0.39 C ATOM 1361 C GLU A 90 -7.150 12.420 -2.667 1.00 0.38 C ATOM 1362 O GLU A 90 -6.016 12.734 -3.042 1.00 0.41 O ATOM 1363 CB GLU A 90 -9.090 12.718 -4.208 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.930 12.169 -5.352 1.00 0.70 C ATOM 1365 CD GLU A 90 -9.086 11.585 -6.466 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -8.068 12.208 -6.835 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -9.421 10.488 -6.966 1.00 2.10 O ATOM 0 H GLU A 90 -9.840 10.792 -2.834 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.548 11.236 -4.409 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.756 13.078 -3.423 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.526 13.579 -4.567 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -10.601 11.401 -4.969 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -10.555 12.966 -5.754 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.603 12.659 -1.441 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.800 13.348 -0.443 1.00 0.44 C ATOM 1376 C ARG A 91 -5.608 12.490 -0.028 1.00 0.37 C ATOM 1377 O ARG A 91 -4.538 13.005 0.293 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.664 13.686 0.776 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.954 14.504 1.845 1.00 0.73 C ATOM 1380 CD ARG A 91 -6.469 15.841 1.303 1.00 1.31 C ATOM 1381 NE ARG A 91 -7.561 16.650 0.765 1.00 2.11 N ATOM 1382 CZ ARG A 91 -7.383 17.774 0.073 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -6.155 18.220 -0.169 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -8.432 18.449 -0.382 1.00 4.06 N ATOM 0 H ARG A 91 -8.529 12.383 -1.115 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.420 14.273 -0.876 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.544 14.235 0.441 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -8.019 12.757 1.223 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -7.631 14.675 2.682 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -6.106 13.939 2.232 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -5.968 16.393 2.098 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -5.729 15.667 0.521 1.00 1.31 H new ATOM 0 HE ARG A 91 -8.517 16.335 0.929 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -5.347 17.701 0.175 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -6.020 19.081 -0.699 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -9.376 18.107 -0.202 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -8.294 19.310 -0.912 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.793 11.177 -0.063 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.753 10.248 0.349 1.00 0.32 C ATOM 1400 C TYR A 92 -3.686 10.125 -0.735 1.00 0.30 C ATOM 1401 O TYR A 92 -2.509 9.932 -0.437 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.360 8.874 0.658 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.380 7.886 1.257 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -3.897 8.052 2.551 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -3.935 6.789 0.527 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -2.999 7.156 3.097 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -3.039 5.888 1.070 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.587 6.067 2.360 1.00 0.55 C ATOM 1409 OH TYR A 92 -1.677 5.183 2.891 1.00 0.64 O ATOM 0 H TYR A 92 -6.657 10.732 -0.374 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.283 10.634 1.254 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.195 9.004 1.346 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.767 8.453 -0.261 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.230 8.895 3.138 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.295 6.639 -0.480 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -2.621 7.308 4.097 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.694 5.047 0.486 1.00 0.48 H new ATOM 0 HH TYR A 92 -1.777 5.157 3.866 1.00 0.64 H new ATOM 1419 N LEU A 93 -4.104 10.253 -1.993 1.00 0.31 N ATOM 1420 CA LEU A 93 -3.173 10.191 -3.117 1.00 0.34 C ATOM 1421 C LEU A 93 -2.175 11.337 -3.038 1.00 0.35 C ATOM 1422 O LEU A 93 -0.971 11.145 -3.214 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.919 10.248 -4.456 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.924 9.120 -4.704 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.616 9.313 -6.043 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -4.243 7.758 -4.650 1.00 0.44 C ATOM 0 H LEU A 93 -5.078 10.400 -2.259 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.640 9.242 -3.058 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.447 11.200 -4.517 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -3.184 10.239 -5.261 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.673 9.155 -3.913 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -6.327 8.503 -6.205 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -6.145 10.266 -6.045 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.873 9.308 -6.841 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.980 6.975 -4.829 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -3.468 7.708 -5.414 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.794 7.615 -3.667 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.679 12.529 -2.751 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.829 13.704 -2.617 1.00 0.39 C ATOM 1440 C ALA A 94 -0.926 13.591 -1.389 1.00 0.37 C ATOM 1441 O ALA A 94 0.120 14.235 -1.310 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.683 14.961 -2.533 1.00 0.43 C ATOM 0 H ALA A 94 -3.673 12.708 -2.606 1.00 0.36 H new ATOM 0 HA ALA A 94 -1.192 13.767 -3.499 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -2.037 15.833 -2.433 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.282 15.055 -3.439 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.342 14.896 -1.667 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.325 12.750 -0.444 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.609 12.610 0.812 1.00 0.35 C ATOM 1450 C ALA A 95 0.374 11.444 0.781 1.00 0.33 C ATOM 1451 O ALA A 95 1.110 11.225 1.743 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.595 12.429 1.950 1.00 0.40 C ATOM 0 H ALA A 95 -2.147 12.152 -0.527 1.00 0.33 H new ATOM 0 HA ALA A 95 -0.032 13.521 0.968 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -1.052 12.325 2.889 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -2.251 13.298 2.005 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -2.192 11.534 1.775 1.00 0.40 H new ATOM 1458 N LEU A 96 0.383 10.700 -0.324 1.00 0.35 N ATOM 1459 CA LEU A 96 1.283 9.552 -0.475 1.00 0.36 C ATOM 1460 C LEU A 96 2.743 9.907 -0.157 1.00 0.35 C ATOM 1461 O LEU A 96 3.367 9.227 0.651 1.00 0.34 O ATOM 1462 CB LEU A 96 1.179 8.945 -1.881 1.00 0.44 C ATOM 1463 CG LEU A 96 -0.143 8.246 -2.202 1.00 0.49 C ATOM 1464 CD1 LEU A 96 -0.181 7.837 -3.665 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.343 7.028 -1.309 1.00 0.49 C ATOM 0 H LEU A 96 -0.221 10.869 -1.128 1.00 0.35 H new ATOM 0 HA LEU A 96 0.959 8.809 0.253 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.337 9.738 -2.612 1.00 0.44 H new ATOM 0 HB3 LEU A 96 1.989 8.227 -2.008 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.955 8.947 -2.011 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -1.127 7.341 -3.880 1.00 0.56 H new ATOM 0 HD12 LEU A 96 -0.085 8.723 -4.293 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.642 7.154 -3.873 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -1.290 6.547 -1.556 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.474 6.323 -1.467 1.00 0.49 H new ATOM 0 HD23 LEU A 96 -0.356 7.341 -0.265 1.00 0.49 H new ATOM 1477 N PRO A 97 3.317 10.974 -0.763 1.00 0.37 N ATOM 1478 CA PRO A 97 4.709 11.367 -0.499 1.00 0.39 C ATOM 1479 C PRO A 97 4.953 11.742 0.965 1.00 0.35 C ATOM 1480 O PRO A 97 6.059 11.572 1.481 1.00 0.36 O ATOM 1481 CB PRO A 97 4.927 12.587 -1.405 1.00 0.46 C ATOM 1482 CG PRO A 97 3.557 13.085 -1.712 1.00 0.46 C ATOM 1483 CD PRO A 97 2.687 11.864 -1.757 1.00 0.42 C ATOM 0 HA PRO A 97 5.396 10.545 -0.698 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.522 13.350 -0.904 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.461 12.313 -2.315 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.213 13.784 -0.949 1.00 0.46 H new ATOM 0 HG3 PRO A 97 3.537 13.617 -2.663 1.00 0.46 H new ATOM 0 HD2 PRO A 97 1.654 12.094 -1.496 1.00 0.42 H new ATOM 0 HD3 PRO A 97 2.672 11.415 -2.750 1.00 0.42 H new ATOM 1491 N ARG A 98 3.916 12.229 1.636 1.00 0.34 N ATOM 1492 CA ARG A 98 4.049 12.669 3.019 1.00 0.35 C ATOM 1493 C ARG A 98 4.065 11.472 3.959 1.00 0.31 C ATOM 1494 O ARG A 98 4.865 11.407 4.893 1.00 0.33 O ATOM 1495 CB ARG A 98 2.911 13.620 3.408 1.00 0.44 C ATOM 1496 CG ARG A 98 2.858 14.893 2.579 1.00 1.33 C ATOM 1497 CD ARG A 98 4.163 15.672 2.646 1.00 1.71 C ATOM 1498 NE ARG A 98 4.535 16.030 4.014 1.00 2.37 N ATOM 1499 CZ ARG A 98 5.745 16.465 4.364 1.00 3.24 C ATOM 1500 NH1 ARG A 98 6.703 16.567 3.450 1.00 3.56 N ATOM 1501 NH2 ARG A 98 5.999 16.791 5.626 1.00 4.22 N ATOM 0 H ARG A 98 2.978 12.329 1.247 1.00 0.34 H new ATOM 0 HA ARG A 98 4.993 13.206 3.108 1.00 0.35 H new ATOM 0 HB2 ARG A 98 1.962 13.094 3.308 1.00 0.44 H new ATOM 0 HB3 ARG A 98 3.018 13.887 4.459 1.00 0.44 H new ATOM 0 HG2 ARG A 98 2.639 14.641 1.541 1.00 1.33 H new ATOM 0 HG3 ARG A 98 2.042 15.522 2.933 1.00 1.33 H new ATOM 0 HD2 ARG A 98 4.960 15.077 2.201 1.00 1.71 H new ATOM 0 HD3 ARG A 98 4.071 16.579 2.049 1.00 1.71 H new ATOM 0 HE ARG A 98 3.827 15.942 4.743 1.00 2.37 H new ATOM 0 HH11 ARG A 98 6.512 16.312 2.481 1.00 3.56 H new ATOM 0 HH12 ARG A 98 7.629 16.900 3.717 1.00 3.56 H new ATOM 0 HH21 ARG A 98 5.267 16.709 6.331 1.00 4.22 H new ATOM 0 HH22 ARG A 98 6.926 17.124 5.890 1.00 4.22 H new ATOM 1515 N LYS A 99 3.189 10.516 3.693 1.00 0.31 N ATOM 1516 CA LYS A 99 3.095 9.324 4.516 1.00 0.36 C ATOM 1517 C LYS A 99 4.277 8.409 4.248 1.00 0.32 C ATOM 1518 O LYS A 99 4.771 7.734 5.148 1.00 0.32 O ATOM 1519 CB LYS A 99 1.768 8.606 4.266 1.00 0.47 C ATOM 1520 CG LYS A 99 0.575 9.330 4.873 1.00 0.86 C ATOM 1521 CD LYS A 99 0.602 9.267 6.397 1.00 1.14 C ATOM 1522 CE LYS A 99 -0.231 10.374 7.026 1.00 1.52 C ATOM 1523 NZ LYS A 99 -1.635 10.375 6.540 1.00 1.44 N ATOM 0 H LYS A 99 2.533 10.544 2.912 1.00 0.31 H new ATOM 0 HA LYS A 99 3.123 9.614 5.566 1.00 0.36 H new ATOM 0 HB2 LYS A 99 1.615 8.502 3.192 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.823 7.599 4.679 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.577 10.371 4.550 1.00 0.86 H new ATOM 0 HG3 LYS A 99 -0.349 8.884 4.505 1.00 0.86 H new ATOM 0 HD2 LYS A 99 0.227 8.298 6.727 1.00 1.14 H new ATOM 0 HD3 LYS A 99 1.632 9.345 6.745 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -0.225 10.258 8.110 1.00 1.52 H new ATOM 0 HE3 LYS A 99 0.227 11.338 6.806 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -2.108 11.248 6.848 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -1.643 10.325 5.501 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -2.138 9.552 6.930 1.00 1.44 H new ATOM 1537 N LEU A 100 4.737 8.414 3.003 1.00 0.33 N ATOM 1538 CA LEU A 100 5.910 7.651 2.608 1.00 0.35 C ATOM 1539 C LEU A 100 7.116 8.102 3.422 1.00 0.34 C ATOM 1540 O LEU A 100 7.827 7.284 4.005 1.00 0.35 O ATOM 1541 CB LEU A 100 6.184 7.843 1.113 1.00 0.42 C ATOM 1542 CG LEU A 100 7.183 6.865 0.490 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.585 5.472 0.388 1.00 0.62 C ATOM 1544 CD2 LEU A 100 7.620 7.352 -0.881 1.00 1.58 C ATOM 0 H LEU A 100 4.309 8.944 2.244 1.00 0.33 H new ATOM 0 HA LEU A 100 5.727 6.593 2.798 1.00 0.35 H new ATOM 0 HB2 LEU A 100 5.239 7.760 0.576 1.00 0.42 H new ATOM 0 HB3 LEU A 100 6.551 8.857 0.957 1.00 0.42 H new ATOM 0 HG LEU A 100 8.058 6.816 1.139 1.00 0.82 H new ATOM 0 HD11 LEU A 100 7.314 4.795 -0.058 1.00 0.62 H new ATOM 0 HD12 LEU A 100 6.320 5.116 1.384 1.00 0.62 H new ATOM 0 HD13 LEU A 100 5.691 5.504 -0.235 1.00 0.62 H new ATOM 0 HD21 LEU A 100 8.330 6.645 -1.309 1.00 1.58 H new ATOM 0 HD22 LEU A 100 6.750 7.432 -1.533 1.00 1.58 H new ATOM 0 HD23 LEU A 100 8.094 8.329 -0.786 1.00 1.58 H new ATOM 1556 N ALA A 101 7.315 9.417 3.483 1.00 0.33 N ATOM 1557 CA ALA A 101 8.416 9.998 4.241 1.00 0.36 C ATOM 1558 C ALA A 101 8.273 9.699 5.729 1.00 0.33 C ATOM 1559 O ALA A 101 9.267 9.535 6.440 1.00 0.35 O ATOM 1560 CB ALA A 101 8.477 11.499 4.014 1.00 0.41 C ATOM 0 H ALA A 101 6.723 10.102 3.013 1.00 0.33 H new ATOM 0 HA ALA A 101 9.344 9.547 3.889 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.304 11.920 4.586 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.629 11.701 2.954 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.542 11.954 4.339 1.00 0.41 H new ATOM 1566 N ALA A 102 7.033 9.640 6.199 1.00 0.32 N ATOM 1567 CA ALA A 102 6.761 9.339 7.596 1.00 0.33 C ATOM 1568 C ALA A 102 7.226 7.931 7.944 1.00 0.32 C ATOM 1569 O ALA A 102 7.904 7.723 8.952 1.00 0.35 O ATOM 1570 CB ALA A 102 5.279 9.503 7.894 1.00 0.35 C ATOM 0 H ALA A 102 6.200 9.797 5.631 1.00 0.32 H new ATOM 0 HA ALA A 102 7.318 10.043 8.215 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.091 9.274 8.943 1.00 0.35 H new ATOM 0 HB2 ALA A 102 4.978 10.530 7.687 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.704 8.823 7.266 1.00 0.35 H new ATOM 1576 N TRP A 103 6.884 6.970 7.093 1.00 0.30 N ATOM 1577 CA TRP A 103 7.255 5.580 7.326 1.00 0.32 C ATOM 1578 C TRP A 103 8.766 5.401 7.259 1.00 0.32 C ATOM 1579 O TRP A 103 9.328 4.575 7.976 1.00 0.34 O ATOM 1580 CB TRP A 103 6.562 4.649 6.322 1.00 0.33 C ATOM 1581 CG TRP A 103 5.070 4.626 6.472 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.359 4.575 7.639 1.00 0.36 C ATOM 1583 CD2 TRP A 103 4.103 4.641 5.416 1.00 0.35 C ATOM 1584 NE1 TRP A 103 3.012 4.573 7.370 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.830 4.610 6.013 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.193 4.681 4.024 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.658 4.623 5.265 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 3.028 4.692 3.282 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.775 4.663 3.904 1.00 0.44 C ATOM 0 H TRP A 103 6.352 7.128 6.237 1.00 0.30 H new ATOM 0 HA TRP A 103 6.921 5.312 8.328 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.814 4.964 5.310 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.949 3.638 6.447 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.793 4.541 8.627 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.268 4.548 8.067 1.00 0.40 H new ATOM 0 HE3 TRP A 103 5.156 4.703 3.536 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.690 4.602 5.743 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 3.085 4.724 2.204 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.882 4.672 3.296 1.00 0.44 H new ATOM 1600 N GLU A 104 9.425 6.184 6.413 1.00 0.34 N ATOM 1601 CA GLU A 104 10.879 6.135 6.327 1.00 0.38 C ATOM 1602 C GLU A 104 11.503 6.542 7.654 1.00 0.39 C ATOM 1603 O GLU A 104 12.318 5.813 8.227 1.00 0.41 O ATOM 1604 CB GLU A 104 11.407 7.059 5.222 1.00 0.42 C ATOM 1605 CG GLU A 104 10.893 6.736 3.829 1.00 0.45 C ATOM 1606 CD GLU A 104 11.648 7.486 2.749 1.00 0.51 C ATOM 1607 OE1 GLU A 104 11.477 8.721 2.648 1.00 0.62 O ATOM 1608 OE2 GLU A 104 12.426 6.849 2.002 1.00 0.52 O ATOM 0 H GLU A 104 8.982 6.853 5.784 1.00 0.34 H new ATOM 0 HA GLU A 104 11.156 5.108 6.088 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.137 8.086 5.466 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.496 7.009 5.214 1.00 0.42 H new ATOM 0 HG2 GLU A 104 10.979 5.664 3.652 1.00 0.45 H new ATOM 0 HG3 GLU A 104 9.834 6.985 3.768 1.00 0.45 H new ATOM 1615 N ASN A 105 11.074 7.690 8.156 1.00 0.41 N ATOM 1616 CA ASN A 105 11.651 8.276 9.359 1.00 0.47 C ATOM 1617 C ASN A 105 11.318 7.452 10.599 1.00 0.46 C ATOM 1618 O ASN A 105 12.164 7.265 11.474 1.00 0.50 O ATOM 1619 CB ASN A 105 11.146 9.712 9.530 1.00 0.53 C ATOM 1620 CG ASN A 105 11.901 10.478 10.603 1.00 1.24 C ATOM 1621 OD1 ASN A 105 11.508 10.487 11.770 1.00 2.01 O ATOM 1622 ND2 ASN A 105 12.983 11.136 10.217 1.00 1.70 N ATOM 0 H ASN A 105 10.320 8.240 7.744 1.00 0.41 H new ATOM 0 HA ASN A 105 12.735 8.281 9.245 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.238 10.240 8.581 1.00 0.53 H new ATOM 0 HB3 ASN A 105 10.086 9.692 9.782 1.00 0.53 H new ATOM 0 HD21 ASN A 105 13.522 11.674 10.896 1.00 1.70 H new ATOM 0 HD22 ASN A 105 13.278 11.105 9.241 1.00 1.70 H new ATOM 1629 N ALA A 106 10.097 6.941 10.659 1.00 0.45 N ATOM 1630 CA ALA A 106 9.621 6.255 11.854 1.00 0.48 C ATOM 1631 C ALA A 106 9.922 4.758 11.834 1.00 0.50 C ATOM 1632 O ALA A 106 10.353 4.194 12.840 1.00 0.66 O ATOM 1633 CB ALA A 106 8.126 6.486 12.027 1.00 0.52 C ATOM 0 H ALA A 106 9.419 6.987 9.898 1.00 0.45 H new ATOM 0 HA ALA A 106 10.161 6.677 12.702 1.00 0.48 H new ATOM 0 HB1 ALA A 106 7.779 5.970 12.922 1.00 0.52 H new ATOM 0 HB2 ALA A 106 7.932 7.554 12.126 1.00 0.52 H new ATOM 0 HB3 ALA A 106 7.595 6.100 11.157 1.00 0.52 H new ATOM 1639 N ARG A 107 9.709 4.111 10.693 1.00 0.43 N ATOM 1640 CA ARG A 107 9.774 2.651 10.631 1.00 0.47 C ATOM 1641 C ARG A 107 11.148 2.134 10.214 1.00 0.48 C ATOM 1642 O ARG A 107 11.361 0.923 10.145 1.00 0.56 O ATOM 1643 CB ARG A 107 8.705 2.094 9.682 1.00 0.51 C ATOM 1644 CG ARG A 107 7.269 2.320 10.145 1.00 0.59 C ATOM 1645 CD ARG A 107 6.985 1.652 11.490 1.00 0.72 C ATOM 1646 NE ARG A 107 7.321 0.226 11.480 1.00 0.81 N ATOM 1647 CZ ARG A 107 6.685 -0.701 12.198 1.00 1.10 C ATOM 1648 NH1 ARG A 107 5.631 -0.372 12.938 1.00 1.35 N ATOM 1649 NH2 ARG A 107 7.095 -1.962 12.162 1.00 1.26 N ATOM 0 H ARG A 107 9.492 4.566 9.806 1.00 0.43 H new ATOM 0 HA ARG A 107 9.584 2.298 11.644 1.00 0.47 H new ATOM 0 HB2 ARG A 107 8.834 2.552 8.701 1.00 0.51 H new ATOM 0 HB3 ARG A 107 8.869 1.024 9.558 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.079 3.390 10.225 1.00 0.59 H new ATOM 0 HG3 ARG A 107 6.581 1.930 9.395 1.00 0.59 H new ATOM 0 HD2 ARG A 107 7.557 2.153 12.271 1.00 0.72 H new ATOM 0 HD3 ARG A 107 5.931 1.774 11.739 1.00 0.72 H new ATOM 0 HE ARG A 107 8.092 -0.078 10.885 1.00 0.81 H new ATOM 0 HH11 ARG A 107 5.304 0.594 12.959 1.00 1.35 H new ATOM 0 HH12 ARG A 107 5.149 -1.086 13.485 1.00 1.35 H new ATOM 0 HH21 ARG A 107 7.896 -2.222 11.586 1.00 1.26 H new ATOM 0 HH22 ARG A 107 6.610 -2.672 12.711 1.00 1.26 H new ATOM 1663 N GLY A 108 12.075 3.041 9.934 1.00 0.45 N ATOM 1664 CA GLY A 108 13.415 2.625 9.554 1.00 0.49 C ATOM 1665 C GLY A 108 13.442 1.980 8.186 1.00 0.46 C ATOM 1666 O GLY A 108 14.072 0.940 7.985 1.00 0.50 O ATOM 0 H GLY A 108 11.927 4.050 9.962 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.078 3.490 9.560 1.00 0.49 H new ATOM 0 HA3 GLY A 108 13.800 1.923 10.293 1.00 0.49 H new ATOM 1670 N VAL A 109 12.755 2.608 7.249 1.00 0.42 N ATOM 1671 CA VAL A 109 12.661 2.109 5.888 1.00 0.41 C ATOM 1672 C VAL A 109 13.227 3.159 4.942 1.00 0.43 C ATOM 1673 O VAL A 109 12.986 4.347 5.127 1.00 0.46 O ATOM 1674 CB VAL A 109 11.193 1.787 5.506 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.083 1.323 4.060 1.00 0.42 C ATOM 1676 CG2 VAL A 109 10.605 0.735 6.438 1.00 0.43 C ATOM 0 H VAL A 109 12.247 3.478 7.409 1.00 0.42 H new ATOM 0 HA VAL A 109 13.233 1.184 5.810 1.00 0.41 H new ATOM 0 HB VAL A 109 10.621 2.709 5.613 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.041 1.106 3.826 1.00 0.42 H new ATOM 0 HG12 VAL A 109 11.448 2.108 3.397 1.00 0.42 H new ATOM 0 HG13 VAL A 109 11.681 0.423 3.920 1.00 0.42 H new ATOM 0 HG21 VAL A 109 9.575 0.527 6.148 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.193 -0.181 6.370 1.00 0.43 H new ATOM 0 HG23 VAL A 109 10.626 1.105 7.463 1.00 0.43 H new ATOM 1686 N ASP A 110 14.004 2.739 3.958 1.00 0.44 N ATOM 1687 CA ASP A 110 14.580 3.688 3.017 1.00 0.49 C ATOM 1688 C ASP A 110 14.243 3.297 1.588 1.00 0.54 C ATOM 1689 O ASP A 110 14.720 2.278 1.082 1.00 0.57 O ATOM 1690 CB ASP A 110 16.097 3.786 3.186 1.00 0.53 C ATOM 1691 CG ASP A 110 16.677 4.897 2.338 1.00 0.62 C ATOM 1692 OD1 ASP A 110 16.722 6.048 2.814 1.00 0.84 O ATOM 1693 OD2 ASP A 110 17.066 4.635 1.185 1.00 0.79 O ATOM 0 H ASP A 110 14.249 1.763 3.790 1.00 0.44 H new ATOM 0 HA ASP A 110 14.147 4.666 3.229 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.337 3.963 4.234 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.557 2.837 2.910 1.00 0.53 H new ATOM 1698 N PHE A 111 13.425 4.113 0.939 1.00 0.60 N ATOM 1699 CA PHE A 111 12.968 3.819 -0.413 1.00 0.68 C ATOM 1700 C PHE A 111 13.967 4.288 -1.466 1.00 0.77 C ATOM 1701 O PHE A 111 13.752 4.094 -2.664 1.00 0.90 O ATOM 1702 CB PHE A 111 11.600 4.458 -0.658 1.00 0.73 C ATOM 1703 CG PHE A 111 10.498 3.818 0.139 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.205 4.260 1.418 1.00 0.62 C ATOM 1705 CD2 PHE A 111 9.752 2.781 -0.393 1.00 0.72 C ATOM 1706 CE1 PHE A 111 9.189 3.681 2.150 1.00 0.61 C ATOM 1707 CE2 PHE A 111 8.733 2.197 0.332 1.00 0.71 C ATOM 1708 CZ PHE A 111 8.475 2.620 1.618 1.00 0.62 C ATOM 0 H PHE A 111 13.064 4.985 1.326 1.00 0.60 H new ATOM 0 HA PHE A 111 12.881 2.736 -0.503 1.00 0.68 H new ATOM 0 HB2 PHE A 111 11.651 5.518 -0.410 1.00 0.73 H new ATOM 0 HB3 PHE A 111 11.359 4.391 -1.719 1.00 0.73 H new ATOM 0 HD1 PHE A 111 10.779 5.068 1.848 1.00 0.62 H new ATOM 0 HD2 PHE A 111 9.970 2.424 -1.389 1.00 0.72 H new ATOM 0 HE1 PHE A 111 8.951 4.054 3.135 1.00 0.61 H new ATOM 0 HE2 PHE A 111 8.139 1.410 -0.108 1.00 0.71 H new ATOM 0 HZ PHE A 111 7.718 2.126 2.209 1.00 0.62 H new ATOM 1718 N GLY A 112 15.057 4.897 -1.024 1.00 0.76 N ATOM 1719 CA GLY A 112 16.096 5.306 -1.947 1.00 0.84 C ATOM 1720 C GLY A 112 17.005 4.150 -2.303 1.00 0.79 C ATOM 1721 O GLY A 112 17.120 3.773 -3.471 1.00 0.89 O ATOM 0 H GLY A 112 15.241 5.115 -0.045 1.00 0.76 H new ATOM 0 HA2 GLY A 112 15.642 5.707 -2.854 1.00 0.84 H new ATOM 0 HA3 GLY A 112 16.684 6.109 -1.503 1.00 0.84 H new ATOM 1725 N SER A 113 17.631 3.567 -1.288 1.00 0.71 N ATOM 1726 CA SER A 113 18.504 2.421 -1.481 1.00 0.70 C ATOM 1727 C SER A 113 17.688 1.129 -1.485 1.00 0.68 C ATOM 1728 O SER A 113 18.212 0.046 -1.760 1.00 0.72 O ATOM 1729 CB SER A 113 19.576 2.378 -0.387 1.00 0.71 C ATOM 1730 OG SER A 113 20.577 1.416 -0.681 1.00 1.38 O ATOM 0 H SER A 113 17.548 3.873 -0.318 1.00 0.71 H new ATOM 0 HA SER A 113 19.001 2.518 -2.446 1.00 0.70 H new ATOM 0 HB2 SER A 113 20.034 3.362 -0.285 1.00 0.71 H new ATOM 0 HB3 SER A 113 19.112 2.141 0.570 1.00 0.71 H new ATOM 0 HG SER A 113 20.164 0.631 -1.097 1.00 1.38 H new ATOM 1736 N ARG A 114 16.396 1.276 -1.166 1.00 0.68 N ATOM 1737 CA ARG A 114 15.425 0.185 -1.233 1.00 0.75 C ATOM 1738 C ARG A 114 15.737 -0.904 -0.215 1.00 0.68 C ATOM 1739 O ARG A 114 15.700 -2.095 -0.526 1.00 0.72 O ATOM 1740 CB ARG A 114 15.368 -0.394 -2.644 1.00 0.91 C ATOM 1741 CG ARG A 114 14.948 0.617 -3.699 1.00 1.10 C ATOM 1742 CD ARG A 114 15.054 0.027 -5.093 1.00 1.31 C ATOM 1743 NE ARG A 114 16.401 -0.466 -5.367 1.00 1.48 N ATOM 1744 CZ ARG A 114 16.669 -1.528 -6.123 1.00 1.92 C ATOM 1745 NH1 ARG A 114 15.690 -2.160 -6.758 1.00 2.13 N ATOM 1746 NH2 ARG A 114 17.924 -1.941 -6.261 1.00 2.70 N ATOM 0 H ARG A 114 15.996 2.161 -0.853 1.00 0.68 H new ATOM 0 HA ARG A 114 14.446 0.595 -0.985 1.00 0.75 H new ATOM 0 HB2 ARG A 114 16.349 -0.792 -2.904 1.00 0.91 H new ATOM 0 HB3 ARG A 114 14.670 -1.231 -2.657 1.00 0.91 H new ATOM 0 HG2 ARG A 114 13.923 0.937 -3.513 1.00 1.10 H new ATOM 0 HG3 ARG A 114 15.577 1.505 -3.627 1.00 1.10 H new ATOM 0 HD2 ARG A 114 14.339 -0.789 -5.199 1.00 1.31 H new ATOM 0 HD3 ARG A 114 14.786 0.784 -5.830 1.00 1.31 H new ATOM 0 HE ARG A 114 17.187 0.036 -4.953 1.00 1.48 H new ATOM 0 HH11 ARG A 114 14.728 -1.832 -6.668 1.00 2.13 H new ATOM 0 HH12 ARG A 114 15.899 -2.974 -7.337 1.00 2.13 H new ATOM 0 HH21 ARG A 114 18.679 -1.445 -5.788 1.00 2.70 H new ATOM 0 HH22 ARG A 114 18.132 -2.755 -6.840 1.00 2.70 H new ATOM 1760 N THR A 115 16.016 -0.485 1.009 1.00 0.60 N ATOM 1761 CA THR A 115 16.341 -1.409 2.081 1.00 0.57 C ATOM 1762 C THR A 115 15.554 -1.065 3.341 1.00 0.52 C ATOM 1763 O THR A 115 14.988 0.027 3.447 1.00 0.53 O ATOM 1764 CB THR A 115 17.850 -1.386 2.391 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.302 -0.030 2.518 1.00 0.80 O ATOM 1766 CG2 THR A 115 18.643 -2.094 1.302 1.00 0.78 C ATOM 0 H THR A 115 16.023 0.497 1.285 1.00 0.60 H new ATOM 0 HA THR A 115 16.067 -2.411 1.750 1.00 0.57 H new ATOM 0 HB THR A 115 18.013 -1.913 3.331 1.00 0.63 H new ATOM 0 HG1 THR A 115 19.262 -0.022 2.717 1.00 0.80 H new ATOM 0 HG21 THR A 115 19.705 -2.063 1.546 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.317 -3.132 1.231 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.476 -1.595 0.347 1.00 0.78 H new ATOM 1774 N GLN A 116 15.526 -1.985 4.295 1.00 0.50 N ATOM 1775 CA GLN A 116 14.772 -1.781 5.522 1.00 0.51 C ATOM 1776 C GLN A 116 15.495 -2.413 6.704 1.00 0.54 C ATOM 1777 O GLN A 116 16.315 -3.313 6.530 1.00 0.55 O ATOM 1778 CB GLN A 116 13.361 -2.369 5.378 1.00 0.50 C ATOM 1779 CG GLN A 116 13.334 -3.881 5.219 1.00 0.45 C ATOM 1780 CD GLN A 116 11.946 -4.413 4.916 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.141 -3.749 4.266 1.00 1.21 O ATOM 1782 NE2 GLN A 116 11.649 -5.613 5.393 1.00 1.00 N ATOM 0 H GLN A 116 16.016 -2.878 4.242 1.00 0.50 H new ATOM 0 HA GLN A 116 14.687 -0.710 5.706 1.00 0.51 H new ATOM 0 HB2 GLN A 116 12.773 -2.096 6.254 1.00 0.50 H new ATOM 0 HB3 GLN A 116 12.876 -1.914 4.514 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.013 -4.170 4.416 1.00 0.45 H new ATOM 0 HG3 GLN A 116 13.705 -4.345 6.133 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.343 -6.135 5.928 1.00 1.00 H new ATOM 0 HE22 GLN A 116 10.727 -6.015 5.225 1.00 1.00 H new ATOM 1791 N ALA A 117 15.199 -1.928 7.905 1.00 0.62 N ATOM 1792 CA ALA A 117 15.842 -2.427 9.115 1.00 0.68 C ATOM 1793 C ALA A 117 15.042 -3.563 9.746 1.00 0.68 C ATOM 1794 O ALA A 117 15.227 -3.891 10.919 1.00 0.84 O ATOM 1795 CB ALA A 117 16.019 -1.294 10.113 1.00 0.83 C ATOM 0 H ALA A 117 14.516 -1.188 8.067 1.00 0.62 H new ATOM 0 HA ALA A 117 16.819 -2.822 8.838 1.00 0.68 H new ATOM 0 HB1 ALA A 117 16.500 -1.675 11.014 1.00 0.83 H new ATOM 0 HB2 ALA A 117 16.640 -0.514 9.672 1.00 0.83 H new ATOM 0 HB3 ALA A 117 15.044 -0.879 10.370 1.00 0.83 H new ATOM 1801 N ASP A 118 14.153 -4.158 8.966 1.00 0.69 N ATOM 1802 CA ASP A 118 13.329 -5.266 9.441 1.00 0.73 C ATOM 1803 C ASP A 118 13.383 -6.429 8.467 1.00 0.67 C ATOM 1804 O ASP A 118 13.679 -6.244 7.286 1.00 0.67 O ATOM 1805 CB ASP A 118 11.867 -4.836 9.619 1.00 0.81 C ATOM 1806 CG ASP A 118 11.625 -4.033 10.880 1.00 0.81 C ATOM 1807 OD1 ASP A 118 11.798 -2.801 10.848 1.00 1.04 O ATOM 1808 OD2 ASP A 118 11.230 -4.630 11.904 1.00 1.07 O ATOM 0 H ASP A 118 13.981 -3.893 7.996 1.00 0.69 H new ATOM 0 HA ASP A 118 13.729 -5.576 10.406 1.00 0.73 H new ATOM 0 HB2 ASP A 118 11.563 -4.244 8.756 1.00 0.81 H new ATOM 0 HB3 ASP A 118 11.234 -5.724 9.635 1.00 0.81 H new ATOM 1813 N ALA A 119 13.097 -7.626 8.952 1.00 0.72 N ATOM 1814 CA ALA A 119 12.971 -8.777 8.077 1.00 0.73 C ATOM 1815 C ALA A 119 11.673 -8.668 7.288 1.00 0.66 C ATOM 1816 O ALA A 119 11.674 -8.617 6.056 1.00 0.73 O ATOM 1817 CB ALA A 119 13.010 -10.071 8.881 1.00 0.91 C ATOM 0 H ALA A 119 12.949 -7.824 9.941 1.00 0.72 H new ATOM 0 HA ALA A 119 13.811 -8.795 7.382 1.00 0.73 H new ATOM 0 HB1 ALA A 119 12.914 -10.922 8.206 1.00 0.91 H new ATOM 0 HB2 ALA A 119 13.957 -10.138 9.417 1.00 0.91 H new ATOM 0 HB3 ALA A 119 12.187 -10.080 9.596 1.00 0.91 H new ATOM 1823 N LEU A 120 10.565 -8.617 8.012 1.00 0.69 N ATOM 1824 CA LEU A 120 9.260 -8.403 7.413 1.00 0.63 C ATOM 1825 C LEU A 120 8.568 -7.225 8.093 1.00 0.57 C ATOM 1826 O LEU A 120 8.498 -7.172 9.321 1.00 0.65 O ATOM 1827 CB LEU A 120 8.410 -9.668 7.566 1.00 0.73 C ATOM 1828 CG LEU A 120 7.061 -9.652 6.849 1.00 0.69 C ATOM 1829 CD1 LEU A 120 7.255 -9.660 5.346 1.00 0.89 C ATOM 1830 CD2 LEU A 120 6.214 -10.834 7.283 1.00 1.00 C ATOM 0 H LEU A 120 10.547 -8.722 9.026 1.00 0.69 H new ATOM 0 HA LEU A 120 9.381 -8.180 6.353 1.00 0.63 H new ATOM 0 HB2 LEU A 120 8.986 -10.517 7.198 1.00 0.73 H new ATOM 0 HB3 LEU A 120 8.234 -9.839 8.628 1.00 0.73 H new ATOM 0 HG LEU A 120 6.539 -8.735 7.122 1.00 0.69 H new ATOM 0 HD11 LEU A 120 6.283 -9.648 4.854 1.00 0.89 H new ATOM 0 HD12 LEU A 120 7.823 -8.779 5.048 1.00 0.89 H new ATOM 0 HD13 LEU A 120 7.799 -10.558 5.054 1.00 0.89 H new ATOM 0 HD21 LEU A 120 5.257 -10.806 6.762 1.00 1.00 H new ATOM 0 HD22 LEU A 120 6.732 -11.762 7.041 1.00 1.00 H new ATOM 0 HD23 LEU A 120 6.044 -10.784 8.358 1.00 1.00 H new ATOM 1842 N VAL A 121 8.083 -6.269 7.309 1.00 0.50 N ATOM 1843 CA VAL A 121 7.360 -5.139 7.873 1.00 0.47 C ATOM 1844 C VAL A 121 5.943 -5.059 7.303 1.00 0.39 C ATOM 1845 O VAL A 121 5.726 -4.688 6.148 1.00 0.33 O ATOM 1846 CB VAL A 121 8.121 -3.801 7.672 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.453 -3.555 6.209 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.326 -2.636 8.248 1.00 0.50 C ATOM 0 H VAL A 121 8.176 -6.254 6.293 1.00 0.50 H new ATOM 0 HA VAL A 121 7.287 -5.305 8.948 1.00 0.47 H new ATOM 0 HB VAL A 121 9.064 -3.878 8.213 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.985 -2.609 6.111 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.081 -4.365 5.837 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.531 -3.515 5.629 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.878 -1.708 8.096 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.361 -2.570 7.746 1.00 0.50 H new ATOM 0 HG23 VAL A 121 7.170 -2.795 9.315 1.00 0.50 H new ATOM 1858 N LEU A 122 4.983 -5.458 8.119 1.00 0.41 N ATOM 1859 CA LEU A 122 3.585 -5.411 7.731 1.00 0.39 C ATOM 1860 C LEU A 122 2.883 -4.309 8.512 1.00 0.42 C ATOM 1861 O LEU A 122 2.722 -4.410 9.726 1.00 0.73 O ATOM 1862 CB LEU A 122 2.904 -6.758 8.011 1.00 0.50 C ATOM 1863 CG LEU A 122 3.646 -8.003 7.504 1.00 0.51 C ATOM 1864 CD1 LEU A 122 2.871 -9.264 7.853 1.00 0.66 C ATOM 1865 CD2 LEU A 122 3.880 -7.930 6.005 1.00 0.46 C ATOM 0 H LEU A 122 5.148 -5.820 9.058 1.00 0.41 H new ATOM 0 HA LEU A 122 3.520 -5.205 6.663 1.00 0.39 H new ATOM 0 HB2 LEU A 122 2.764 -6.856 9.088 1.00 0.50 H new ATOM 0 HB3 LEU A 122 1.911 -6.742 7.561 1.00 0.50 H new ATOM 0 HG LEU A 122 4.617 -8.037 7.998 1.00 0.51 H new ATOM 0 HD11 LEU A 122 3.412 -10.137 7.486 1.00 0.66 H new ATOM 0 HD12 LEU A 122 2.759 -9.335 8.935 1.00 0.66 H new ATOM 0 HD13 LEU A 122 1.886 -9.226 7.388 1.00 0.66 H new ATOM 0 HD21 LEU A 122 4.407 -8.825 5.675 1.00 0.46 H new ATOM 0 HD22 LEU A 122 2.922 -7.863 5.490 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.479 -7.050 5.773 1.00 0.46 H new ATOM 1877 N LEU A 123 2.478 -3.258 7.822 1.00 0.24 N ATOM 1878 CA LEU A 123 1.836 -2.128 8.479 1.00 0.24 C ATOM 1879 C LEU A 123 0.325 -2.311 8.497 1.00 0.24 C ATOM 1880 O LEU A 123 -0.322 -2.324 7.445 1.00 0.25 O ATOM 1881 CB LEU A 123 2.189 -0.812 7.778 1.00 0.26 C ATOM 1882 CG LEU A 123 3.678 -0.468 7.717 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.879 0.864 7.013 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.289 -0.428 9.111 1.00 0.37 C ATOM 0 H LEU A 123 2.580 -3.161 6.812 1.00 0.24 H new ATOM 0 HA LEU A 123 2.203 -2.085 9.504 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.802 -0.850 6.760 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.669 -0.000 8.287 1.00 0.26 H new ATOM 0 HG LEU A 123 4.185 -1.249 7.150 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.943 1.099 6.975 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.485 0.803 5.999 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.354 1.647 7.559 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.348 -0.181 9.037 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.781 0.328 9.709 1.00 0.37 H new ATOM 0 HD23 LEU A 123 4.176 -1.403 9.586 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.225 -2.464 9.691 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.653 -2.642 9.837 1.00 0.28 C ATOM 1898 C GLY A 124 -2.300 -1.500 10.588 1.00 0.30 C ATOM 1899 O GLY A 124 -1.614 -0.713 11.241 1.00 0.34 O ATOM 0 H GLY A 124 0.297 -2.468 10.567 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.109 -2.730 8.851 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -1.849 -3.577 10.363 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.620 -1.410 10.499 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.344 -0.371 11.204 1.00 0.36 C ATOM 1905 C GLY A 125 -4.246 0.983 10.534 1.00 0.35 C ATOM 1906 O GLY A 125 -4.456 2.012 11.176 1.00 0.40 O ATOM 0 H GLY A 125 -4.204 -2.040 9.949 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.393 -0.656 11.281 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -3.959 -0.295 12.221 1.00 0.36 H new ATOM 1910 N LEU A 126 -3.917 0.990 9.250 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.827 2.238 8.504 1.00 0.31 C ATOM 1912 C LEU A 126 -5.211 2.767 8.153 1.00 0.33 C ATOM 1913 O LEU A 126 -6.154 2.000 7.931 1.00 0.35 O ATOM 1914 CB LEU A 126 -2.994 2.073 7.228 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.476 2.218 7.393 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -0.910 1.113 8.268 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.798 2.219 6.031 1.00 0.39 C ATOM 0 H LEU A 126 -3.709 0.153 8.706 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.327 2.960 9.149 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.201 1.089 6.807 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.332 2.809 6.499 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.278 3.169 7.887 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.168 1.243 8.366 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.372 1.157 9.254 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.119 0.145 7.812 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.279 2.322 6.161 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -1.013 1.282 5.517 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.174 3.053 5.438 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.314 4.082 8.098 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.567 4.751 7.784 1.00 0.41 C ATOM 1931 C ASP A 127 -6.333 5.720 6.640 1.00 0.39 C ATOM 1932 O ASP A 127 -5.186 6.003 6.285 1.00 0.45 O ATOM 1933 CB ASP A 127 -7.115 5.518 9.000 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.492 4.618 10.163 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.640 4.124 10.199 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.649 4.422 11.064 1.00 1.11 O ATOM 0 H ASP A 127 -4.534 4.717 8.269 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.302 3.996 7.503 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -6.366 6.236 9.334 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.991 6.090 8.694 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.406 6.245 6.074 1.00 0.39 N ATOM 1942 CA PHE A 128 -7.291 7.184 4.970 1.00 0.42 C ATOM 1943 C PHE A 128 -7.378 8.613 5.480 1.00 0.49 C ATOM 1944 O PHE A 128 -8.000 9.478 4.863 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.354 6.909 3.904 1.00 0.48 C ATOM 1946 CG PHE A 128 -7.979 5.782 2.978 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -8.065 4.463 3.397 1.00 0.55 C ATOM 1948 CD2 PHE A 128 -7.523 6.043 1.695 1.00 0.49 C ATOM 1949 CE1 PHE A 128 -7.707 3.427 2.554 1.00 0.61 C ATOM 1950 CE2 PHE A 128 -7.160 5.012 0.849 1.00 0.55 C ATOM 1951 CZ PHE A 128 -7.252 3.703 1.279 1.00 0.58 C ATOM 0 H PHE A 128 -8.363 6.039 6.359 1.00 0.39 H new ATOM 0 HA PHE A 128 -6.316 7.049 4.502 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -9.299 6.671 4.393 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -8.517 7.814 3.319 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -8.416 4.242 4.394 1.00 0.55 H new ATOM 0 HD2 PHE A 128 -7.451 7.065 1.352 1.00 0.49 H new ATOM 0 HE1 PHE A 128 -7.783 2.404 2.892 1.00 0.61 H new ATOM 0 HE2 PHE A 128 -6.805 5.230 -0.147 1.00 0.55 H new ATOM 0 HZ PHE A 128 -6.969 2.896 0.620 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.754 8.839 6.625 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.650 10.163 7.204 1.00 0.63 C ATOM 1963 C GLU A 129 -5.343 10.803 6.761 1.00 0.64 C ATOM 1964 O GLU A 129 -4.264 10.371 7.170 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.707 10.086 8.733 1.00 0.83 C ATOM 1966 CG GLU A 129 -6.545 11.432 9.418 1.00 1.58 C ATOM 1967 CD GLU A 129 -6.495 11.316 10.927 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -5.470 10.839 11.456 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -7.475 11.712 11.590 1.00 3.00 O ATOM 0 H GLU A 129 -6.306 8.108 7.177 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.488 10.770 6.861 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -7.660 9.649 9.031 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -5.924 9.413 9.084 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -5.631 11.908 9.064 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -7.373 12.082 9.135 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.442 11.806 5.907 1.00 0.73 N ATOM 1977 CA ALA A 130 -4.265 12.487 5.397 1.00 0.92 C ATOM 1978 C ALA A 130 -3.620 13.330 6.487 1.00 1.47 C ATOM 1979 O ALA A 130 -4.201 14.371 6.857 1.00 1.77 O ATOM 1980 CB ALA A 130 -4.624 13.343 4.195 1.00 0.97 C ATOM 1981 OXT ALA A 130 -2.531 12.947 6.966 1.00 2.26 O ATOM 0 H ALA A 130 -6.327 12.168 5.551 1.00 0.73 H new ATOM 0 HA ALA A 130 -3.543 11.735 5.077 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -3.730 13.846 3.826 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -5.036 12.711 3.408 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -5.365 14.088 4.487 1.00 0.97 H new