USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 147 TYR OH : rot 95:sc= 0.709 USER MOD Set 1.2: A 172 HIS : no HD1:sc= 0.954 K(o=1.7,f=-6.8!) USER MOD Set 2.1: A 170 SER OG : rot -57:sc= 0.64 USER MOD Set 2.2: A 171 GLN : amide:sc= -0.189 X(o=0.45,f=0.38) USER MOD Single : A 131 GLN : amide:sc= -5.39! C(o=-5.4!,f=-5.8!) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.00525 USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 CYS SG : rot -23:sc= -0.308 USER MOD Single : A 154 MET CE :methyl -165:sc= -1.38 (180deg=-1.49) USER MOD Single : A 156 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 191 SER OG : rot -8:sc= 0.97 USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 123 1.796 -12.152 -22.694 1.00 0.00 N ATOM 59 CA GLY A 123 1.633 -13.500 -22.170 1.00 0.00 C ATOM 60 C GLY A 123 1.185 -13.468 -20.713 1.00 0.00 C ATOM 61 O GLY A 123 0.642 -12.469 -20.241 1.00 0.00 O ATOM 0 HA2 GLY A 123 0.899 -14.041 -22.768 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.575 -14.043 -22.253 1.00 0.00 H new ATOM 65 N PRO A 124 1.405 -14.536 -19.999 1.00 0.00 N ATOM 66 CA PRO A 124 1.020 -14.641 -18.559 1.00 0.00 C ATOM 67 C PRO A 124 1.645 -13.527 -17.725 1.00 0.00 C ATOM 68 O PRO A 124 1.137 -13.179 -16.660 1.00 0.00 O ATOM 69 CB PRO A 124 1.559 -16.019 -18.134 1.00 0.00 C ATOM 70 CG PRO A 124 1.712 -16.793 -19.401 1.00 0.00 C ATOM 71 CD PRO A 124 2.042 -15.770 -20.483 1.00 0.00 C ATOM 0 HA PRO A 124 -0.055 -14.541 -18.410 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.512 -15.925 -17.614 1.00 0.00 H new ATOM 0 HB3 PRO A 124 0.871 -16.516 -17.451 1.00 0.00 H new ATOM 0 HG2 PRO A 124 2.505 -17.535 -19.311 1.00 0.00 H new ATOM 0 HG3 PRO A 124 0.796 -17.333 -19.641 1.00 0.00 H new ATOM 0 HD2 PRO A 124 3.118 -15.645 -20.602 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.647 -16.071 -21.453 1.00 0.00 H new ATOM 79 N GLU A 125 2.753 -12.978 -18.216 1.00 0.00 N ATOM 80 CA GLU A 125 3.443 -11.907 -17.505 1.00 0.00 C ATOM 81 C GLU A 125 2.433 -10.896 -16.964 1.00 0.00 C ATOM 82 O GLU A 125 2.441 -10.580 -15.780 1.00 0.00 O ATOM 83 CB GLU A 125 4.423 -11.207 -18.447 1.00 0.00 C ATOM 84 CG GLU A 125 5.237 -10.177 -17.663 1.00 0.00 C ATOM 85 CD GLU A 125 6.227 -9.481 -18.589 1.00 0.00 C ATOM 86 OE1 GLU A 125 5.808 -8.591 -19.311 1.00 0.00 O ATOM 87 OE2 GLU A 125 7.390 -9.849 -18.564 1.00 0.00 O ATOM 0 H GLU A 125 3.189 -13.254 -19.096 1.00 0.00 H new ATOM 0 HA GLU A 125 3.993 -12.337 -16.668 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.088 -11.939 -18.906 1.00 0.00 H new ATOM 0 HB3 GLU A 125 3.880 -10.718 -19.256 1.00 0.00 H new ATOM 0 HG2 GLU A 125 4.571 -9.442 -17.211 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.771 -10.667 -16.848 1.00 0.00 H new ATOM 94 N GLU A 126 1.570 -10.410 -17.847 1.00 0.00 N ATOM 95 CA GLU A 126 0.550 -9.439 -17.446 1.00 0.00 C ATOM 96 C GLU A 126 -0.350 -10.046 -16.377 1.00 0.00 C ATOM 97 O GLU A 126 -0.661 -9.411 -15.375 1.00 0.00 O ATOM 98 CB GLU A 126 -0.282 -9.022 -18.657 1.00 0.00 C ATOM 99 CG GLU A 126 0.592 -8.224 -19.625 1.00 0.00 C ATOM 100 CD GLU A 126 -0.209 -7.859 -20.868 1.00 0.00 C ATOM 101 OE1 GLU A 126 -1.383 -8.193 -20.913 1.00 0.00 O ATOM 102 OE2 GLU A 126 0.359 -7.246 -21.757 1.00 0.00 O ATOM 0 H GLU A 126 1.552 -10.666 -18.834 1.00 0.00 H new ATOM 0 HA GLU A 126 1.041 -8.556 -17.037 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.685 -9.903 -19.156 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.133 -8.420 -18.337 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.956 -7.319 -19.138 1.00 0.00 H new ATOM 0 HG3 GLU A 126 1.467 -8.810 -19.905 1.00 0.00 H new ATOM 109 N LEU A 127 -0.781 -11.277 -16.602 1.00 0.00 N ATOM 110 CA LEU A 127 -1.655 -11.945 -15.653 1.00 0.00 C ATOM 111 C LEU A 127 -0.967 -12.050 -14.296 1.00 0.00 C ATOM 112 O LEU A 127 -1.596 -11.891 -13.249 1.00 0.00 O ATOM 113 CB LEU A 127 -1.987 -13.368 -16.164 1.00 0.00 C ATOM 114 CG LEU A 127 -3.402 -13.759 -15.712 1.00 0.00 C ATOM 115 CD1 LEU A 127 -3.516 -13.608 -14.188 1.00 0.00 C ATOM 116 CD2 LEU A 127 -4.430 -12.832 -16.403 1.00 0.00 C ATOM 0 H LEU A 127 -0.542 -11.829 -17.426 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.573 -11.366 -15.551 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.920 -13.400 -17.251 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.260 -14.083 -15.778 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.601 -14.795 -15.986 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.521 -13.886 -13.869 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.788 -14.258 -13.703 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.320 -12.573 -13.909 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.437 -13.105 -16.086 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.230 -11.797 -16.126 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -4.348 -12.940 -17.485 1.00 0.00 H new ATOM 128 N GLU A 128 0.330 -12.327 -14.315 1.00 0.00 N ATOM 129 CA GLU A 128 1.087 -12.458 -13.080 1.00 0.00 C ATOM 130 C GLU A 128 1.114 -11.141 -12.320 1.00 0.00 C ATOM 131 O GLU A 128 1.063 -11.122 -11.089 1.00 0.00 O ATOM 132 CB GLU A 128 2.524 -12.892 -13.393 1.00 0.00 C ATOM 133 CG GLU A 128 2.525 -14.329 -13.923 1.00 0.00 C ATOM 134 CD GLU A 128 3.940 -14.739 -14.318 1.00 0.00 C ATOM 135 OE1 GLU A 128 4.844 -13.946 -14.116 1.00 0.00 O ATOM 136 OE2 GLU A 128 4.097 -15.840 -14.818 1.00 0.00 O ATOM 0 H GLU A 128 0.875 -12.464 -15.166 1.00 0.00 H new ATOM 0 HA GLU A 128 0.601 -13.211 -12.460 1.00 0.00 H new ATOM 0 HB2 GLU A 128 2.964 -12.222 -14.131 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.138 -12.825 -12.495 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.141 -15.007 -13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.861 -14.408 -14.784 1.00 0.00 H new ATOM 143 N GLU A 129 1.183 -10.042 -13.059 1.00 0.00 N ATOM 144 CA GLU A 129 1.211 -8.721 -12.443 1.00 0.00 C ATOM 145 C GLU A 129 -0.045 -8.486 -11.613 1.00 0.00 C ATOM 146 O GLU A 129 0.005 -7.831 -10.573 1.00 0.00 O ATOM 147 CB GLU A 129 1.326 -7.640 -13.522 1.00 0.00 C ATOM 148 CG GLU A 129 2.717 -7.696 -14.159 1.00 0.00 C ATOM 149 CD GLU A 129 2.792 -6.721 -15.331 1.00 0.00 C ATOM 150 OE1 GLU A 129 1.794 -6.076 -15.603 1.00 0.00 O ATOM 151 OE2 GLU A 129 3.847 -6.636 -15.937 1.00 0.00 O ATOM 0 H GLU A 129 1.220 -10.037 -14.078 1.00 0.00 H new ATOM 0 HA GLU A 129 2.079 -8.669 -11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 129 0.560 -7.789 -14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 129 1.154 -6.656 -13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.476 -7.446 -13.418 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.928 -8.708 -14.503 1.00 0.00 H new ATOM 158 N LEU A 130 -1.156 -9.036 -12.076 1.00 0.00 N ATOM 159 CA LEU A 130 -2.420 -8.896 -11.363 1.00 0.00 C ATOM 160 C LEU A 130 -2.357 -9.620 -10.025 1.00 0.00 C ATOM 161 O LEU A 130 -2.915 -9.157 -9.029 1.00 0.00 O ATOM 162 CB LEU A 130 -3.564 -9.457 -12.204 1.00 0.00 C ATOM 163 CG LEU A 130 -3.528 -8.829 -13.600 1.00 0.00 C ATOM 164 CD1 LEU A 130 -4.711 -9.353 -14.426 1.00 0.00 C ATOM 165 CD2 LEU A 130 -3.621 -7.301 -13.482 1.00 0.00 C ATOM 0 H LEU A 130 -1.211 -9.581 -12.937 1.00 0.00 H new ATOM 0 HA LEU A 130 -2.599 -7.836 -11.181 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -3.477 -10.541 -12.279 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -4.520 -9.247 -11.724 1.00 0.00 H new ATOM 0 HG LEU A 130 -2.593 -9.096 -14.093 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -4.687 -8.907 -15.420 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -4.642 -10.437 -14.513 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -5.646 -9.088 -13.932 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -3.595 -6.857 -14.477 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -4.554 -7.030 -12.988 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -2.780 -6.929 -12.897 1.00 0.00 H new ATOM 177 N GLN A 131 -1.683 -10.764 -10.012 1.00 0.00 N ATOM 178 CA GLN A 131 -1.556 -11.547 -8.791 1.00 0.00 C ATOM 179 C GLN A 131 -0.797 -10.750 -7.735 1.00 0.00 C ATOM 180 O GLN A 131 -1.155 -10.771 -6.555 1.00 0.00 O ATOM 181 CB GLN A 131 -0.820 -12.859 -9.081 1.00 0.00 C ATOM 182 CG GLN A 131 -0.722 -13.690 -7.800 1.00 0.00 C ATOM 183 CD GLN A 131 -2.115 -14.104 -7.339 1.00 0.00 C ATOM 184 OE1 GLN A 131 -2.820 -14.814 -8.053 1.00 0.00 O ATOM 185 NE2 GLN A 131 -2.558 -13.694 -6.181 1.00 0.00 N ATOM 0 H GLN A 131 -1.220 -11.167 -10.827 1.00 0.00 H new ATOM 0 HA GLN A 131 -2.553 -11.775 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -1.349 -13.421 -9.851 1.00 0.00 H new ATOM 0 HB3 GLN A 131 0.178 -12.650 -9.467 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -0.111 -14.575 -7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -0.228 -13.112 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -1.971 -13.105 -5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -3.491 -13.963 -5.867 1.00 0.00 H new ATOM 194 N ALA A 132 0.254 -10.064 -8.161 1.00 0.00 N ATOM 195 CA ALA A 132 1.057 -9.272 -7.240 1.00 0.00 C ATOM 196 C ALA A 132 0.175 -8.279 -6.498 1.00 0.00 C ATOM 197 O ALA A 132 0.314 -8.090 -5.288 1.00 0.00 O ATOM 198 CB ALA A 132 2.142 -8.515 -8.010 1.00 0.00 C ATOM 0 H ALA A 132 0.569 -10.039 -9.131 1.00 0.00 H new ATOM 0 HA ALA A 132 1.526 -9.942 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.738 -7.925 -7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 132 2.786 -9.227 -8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 132 1.676 -7.853 -8.740 1.00 0.00 H new ATOM 204 N ALA A 133 -0.743 -7.650 -7.226 1.00 0.00 N ATOM 205 CA ALA A 133 -1.653 -6.684 -6.620 1.00 0.00 C ATOM 206 C ALA A 133 -2.552 -7.370 -5.596 1.00 0.00 C ATOM 207 O ALA A 133 -2.779 -6.851 -4.505 1.00 0.00 O ATOM 208 CB ALA A 133 -2.514 -6.030 -7.702 1.00 0.00 C ATOM 0 H ALA A 133 -0.876 -7.790 -8.228 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.062 -5.919 -6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.191 -5.310 -7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -1.871 -5.518 -8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.094 -6.795 -8.218 1.00 0.00 H new ATOM 214 N PHE A 134 -3.059 -8.546 -5.957 1.00 0.00 N ATOM 215 CA PHE A 134 -3.934 -9.296 -5.065 1.00 0.00 C ATOM 216 C PHE A 134 -3.225 -9.566 -3.743 1.00 0.00 C ATOM 217 O PHE A 134 -3.824 -9.459 -2.671 1.00 0.00 O ATOM 218 CB PHE A 134 -4.332 -10.622 -5.717 1.00 0.00 C ATOM 219 CG PHE A 134 -5.454 -11.254 -4.927 1.00 0.00 C ATOM 220 CD1 PHE A 134 -6.738 -10.694 -4.971 1.00 0.00 C ATOM 221 CD2 PHE A 134 -5.217 -12.397 -4.156 1.00 0.00 C ATOM 222 CE1 PHE A 134 -7.782 -11.276 -4.244 1.00 0.00 C ATOM 223 CE2 PHE A 134 -6.261 -12.980 -3.429 1.00 0.00 C ATOM 224 CZ PHE A 134 -7.545 -12.420 -3.473 1.00 0.00 C ATOM 0 H PHE A 134 -2.880 -8.996 -6.855 1.00 0.00 H new ATOM 0 HA PHE A 134 -4.831 -8.707 -4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.648 -10.453 -6.746 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.474 -11.294 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -6.922 -9.812 -5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -4.228 -12.830 -4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -8.771 -10.843 -4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -6.077 -13.862 -2.834 1.00 0.00 H new ATOM 0 HZ PHE A 134 -8.351 -12.871 -2.913 1.00 0.00 H new ATOM 234 N GLU A 135 -1.945 -9.913 -3.825 1.00 0.00 N ATOM 235 CA GLU A 135 -1.163 -10.196 -2.625 1.00 0.00 C ATOM 236 C GLU A 135 -1.179 -8.993 -1.688 1.00 0.00 C ATOM 237 O GLU A 135 -1.285 -9.146 -0.471 1.00 0.00 O ATOM 238 CB GLU A 135 0.282 -10.524 -3.011 1.00 0.00 C ATOM 239 CG GLU A 135 0.324 -11.866 -3.741 1.00 0.00 C ATOM 240 CD GLU A 135 1.740 -12.152 -4.230 1.00 0.00 C ATOM 241 OE1 GLU A 135 2.623 -11.373 -3.910 1.00 0.00 O ATOM 242 OE2 GLU A 135 1.918 -13.139 -4.923 1.00 0.00 O ATOM 0 H GLU A 135 -1.430 -10.005 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.605 -11.051 -2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.686 -9.738 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.908 -10.564 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -0.007 -12.662 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -0.365 -11.851 -4.586 1.00 0.00 H new ATOM 249 N GLU A 136 -1.080 -7.800 -2.261 1.00 0.00 N ATOM 250 CA GLU A 136 -1.092 -6.579 -1.467 1.00 0.00 C ATOM 251 C GLU A 136 -2.458 -6.370 -0.836 1.00 0.00 C ATOM 252 O GLU A 136 -2.580 -5.710 0.200 1.00 0.00 O ATOM 253 CB GLU A 136 -0.740 -5.376 -2.352 1.00 0.00 C ATOM 254 CG GLU A 136 0.778 -5.298 -2.536 1.00 0.00 C ATOM 255 CD GLU A 136 1.258 -6.463 -3.394 1.00 0.00 C ATOM 256 OE1 GLU A 136 1.323 -7.568 -2.877 1.00 0.00 O ATOM 257 OE2 GLU A 136 1.554 -6.233 -4.553 1.00 0.00 O ATOM 0 H GLU A 136 -0.991 -7.653 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 136 -0.350 -6.672 -0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -1.229 -5.470 -3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.109 -4.457 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 136 1.048 -4.353 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 136 1.272 -5.323 -1.565 1.00 0.00 H new ATOM 264 N PHE A 137 -3.489 -6.926 -1.463 1.00 0.00 N ATOM 265 CA PHE A 137 -4.852 -6.791 -0.957 1.00 0.00 C ATOM 266 C PHE A 137 -5.329 -8.108 -0.371 1.00 0.00 C ATOM 267 O PHE A 137 -6.486 -8.236 0.035 1.00 0.00 O ATOM 268 CB PHE A 137 -5.790 -6.359 -2.083 1.00 0.00 C ATOM 269 CG PHE A 137 -5.542 -4.905 -2.414 1.00 0.00 C ATOM 270 CD1 PHE A 137 -5.982 -3.905 -1.541 1.00 0.00 C ATOM 271 CD2 PHE A 137 -4.874 -4.559 -3.596 1.00 0.00 C ATOM 272 CE1 PHE A 137 -5.754 -2.559 -1.847 1.00 0.00 C ATOM 273 CE2 PHE A 137 -4.645 -3.215 -3.902 1.00 0.00 C ATOM 274 CZ PHE A 137 -5.086 -2.214 -3.029 1.00 0.00 C ATOM 0 H PHE A 137 -3.408 -7.473 -2.320 1.00 0.00 H new ATOM 0 HA PHE A 137 -4.858 -6.032 -0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 137 -5.625 -6.977 -2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 137 -6.828 -6.503 -1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 137 -6.498 -4.172 -0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 137 -4.536 -5.331 -4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -6.093 -1.787 -1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -4.128 -2.949 -4.812 1.00 0.00 H new ATOM 0 HZ PHE A 137 -4.911 -1.175 -3.267 1.00 0.00 H new ATOM 284 N ASP A 138 -4.438 -9.095 -0.328 1.00 0.00 N ATOM 285 CA ASP A 138 -4.778 -10.409 0.213 1.00 0.00 C ATOM 286 C ASP A 138 -3.790 -10.811 1.303 1.00 0.00 C ATOM 287 O ASP A 138 -3.230 -11.907 1.272 1.00 0.00 O ATOM 288 CB ASP A 138 -4.767 -11.453 -0.904 1.00 0.00 C ATOM 289 CG ASP A 138 -5.402 -12.747 -0.410 1.00 0.00 C ATOM 290 OD1 ASP A 138 -6.374 -12.667 0.323 1.00 0.00 O ATOM 291 OD2 ASP A 138 -4.911 -13.803 -0.776 1.00 0.00 O ATOM 0 H ASP A 138 -3.477 -9.011 -0.660 1.00 0.00 H new ATOM 0 HA ASP A 138 -5.776 -10.356 0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -5.312 -11.078 -1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -3.743 -11.641 -1.228 1.00 0.00 H new ATOM 296 N THR A 139 -3.583 -9.917 2.266 1.00 0.00 N ATOM 297 CA THR A 139 -2.661 -10.189 3.361 1.00 0.00 C ATOM 298 C THR A 139 -3.155 -11.358 4.209 1.00 0.00 C ATOM 299 O THR A 139 -2.371 -12.200 4.641 1.00 0.00 O ATOM 300 CB THR A 139 -2.511 -8.946 4.238 1.00 0.00 C ATOM 301 OG1 THR A 139 -3.799 -8.439 4.557 1.00 0.00 O ATOM 302 CG2 THR A 139 -1.710 -7.880 3.489 1.00 0.00 C ATOM 0 H THR A 139 -4.038 -9.005 2.309 1.00 0.00 H new ATOM 0 HA THR A 139 -1.693 -10.453 2.935 1.00 0.00 H new ATOM 0 HB THR A 139 -1.985 -9.209 5.156 1.00 0.00 H new ATOM 0 HG1 THR A 139 -3.707 -7.643 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 139 -1.605 -6.995 4.117 1.00 0.00 H new ATOM 0 HG22 THR A 139 -0.722 -8.271 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 139 -2.231 -7.612 2.570 1.00 0.00 H new ATOM 310 N ASP A 140 -4.460 -11.399 4.433 1.00 0.00 N ATOM 311 CA ASP A 140 -5.060 -12.469 5.227 1.00 0.00 C ATOM 312 C ASP A 140 -4.868 -13.819 4.540 1.00 0.00 C ATOM 313 O ASP A 140 -4.773 -14.854 5.198 1.00 0.00 O ATOM 314 CB ASP A 140 -6.551 -12.206 5.430 1.00 0.00 C ATOM 315 CG ASP A 140 -7.241 -12.060 4.079 1.00 0.00 C ATOM 316 OD1 ASP A 140 -6.545 -12.052 3.077 1.00 0.00 O ATOM 317 OD2 ASP A 140 -8.458 -11.954 4.064 1.00 0.00 O ATOM 0 H ASP A 140 -5.123 -10.709 4.080 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.564 -12.492 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -7.001 -13.025 5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -6.692 -11.300 6.020 1.00 0.00 H new ATOM 322 N GLN A 141 -4.812 -13.800 3.213 1.00 0.00 N ATOM 323 CA GLN A 141 -4.631 -15.026 2.446 1.00 0.00 C ATOM 324 C GLN A 141 -5.751 -16.017 2.753 1.00 0.00 C ATOM 325 O GLN A 141 -5.526 -17.226 2.808 1.00 0.00 O ATOM 326 CB GLN A 141 -3.276 -15.658 2.782 1.00 0.00 C ATOM 327 CG GLN A 141 -2.855 -16.600 1.652 1.00 0.00 C ATOM 328 CD GLN A 141 -1.512 -17.238 1.979 1.00 0.00 C ATOM 329 OE1 GLN A 141 -0.987 -17.052 3.077 1.00 0.00 O ATOM 330 NE2 GLN A 141 -0.920 -17.982 1.086 1.00 0.00 N ATOM 0 H GLN A 141 -4.889 -12.954 2.649 1.00 0.00 H new ATOM 0 HA GLN A 141 -4.661 -14.779 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -2.525 -14.880 2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -3.342 -16.207 3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -3.610 -17.374 1.512 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -2.786 -16.049 0.714 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -1.358 -18.134 0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -0.019 -18.412 1.296 1.00 0.00 H new ATOM 339 N ASP A 142 -6.954 -15.499 2.955 1.00 0.00 N ATOM 340 CA ASP A 142 -8.099 -16.350 3.259 1.00 0.00 C ATOM 341 C ASP A 142 -8.686 -16.929 1.975 1.00 0.00 C ATOM 342 O ASP A 142 -9.646 -17.699 2.009 1.00 0.00 O ATOM 343 CB ASP A 142 -9.173 -15.542 3.990 1.00 0.00 C ATOM 344 CG ASP A 142 -9.542 -14.307 3.175 1.00 0.00 C ATOM 345 OD1 ASP A 142 -8.908 -14.080 2.158 1.00 0.00 O ATOM 346 OD2 ASP A 142 -10.453 -13.604 3.580 1.00 0.00 O ATOM 0 H ASP A 142 -7.163 -14.502 2.915 1.00 0.00 H new ATOM 0 HA ASP A 142 -7.762 -17.167 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -10.057 -16.159 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.809 -15.244 4.973 1.00 0.00 H new ATOM 351 N GLY A 143 -8.099 -16.555 0.839 1.00 0.00 N ATOM 352 CA GLY A 143 -8.570 -17.045 -0.452 1.00 0.00 C ATOM 353 C GLY A 143 -9.736 -16.209 -0.957 1.00 0.00 C ATOM 354 O GLY A 143 -10.275 -16.460 -2.036 1.00 0.00 O ATOM 0 H GLY A 143 -7.303 -15.919 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -7.756 -17.015 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.877 -18.087 -0.360 1.00 0.00 H new ATOM 358 N TYR A 144 -10.122 -15.205 -0.174 1.00 0.00 N ATOM 359 CA TYR A 144 -11.226 -14.334 -0.560 1.00 0.00 C ATOM 360 C TYR A 144 -11.064 -12.958 0.065 1.00 0.00 C ATOM 361 O TYR A 144 -10.723 -12.833 1.243 1.00 0.00 O ATOM 362 CB TYR A 144 -12.553 -14.945 -0.099 1.00 0.00 C ATOM 363 CG TYR A 144 -12.712 -16.320 -0.706 1.00 0.00 C ATOM 364 CD1 TYR A 144 -12.222 -17.442 -0.027 1.00 0.00 C ATOM 365 CD2 TYR A 144 -13.347 -16.472 -1.944 1.00 0.00 C ATOM 366 CE1 TYR A 144 -12.368 -18.717 -0.587 1.00 0.00 C ATOM 367 CE2 TYR A 144 -13.492 -17.748 -2.505 1.00 0.00 C ATOM 368 CZ TYR A 144 -13.003 -18.870 -1.826 1.00 0.00 C ATOM 369 OH TYR A 144 -13.145 -20.127 -2.379 1.00 0.00 O ATOM 0 H TYR A 144 -9.691 -14.977 0.722 1.00 0.00 H new ATOM 0 HA TYR A 144 -11.223 -14.233 -1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 144 -12.577 -15.011 0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 144 -13.384 -14.305 -0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 144 -11.732 -17.324 0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 144 -13.725 -15.606 -2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 144 -11.991 -19.583 -0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 144 -13.981 -17.866 -3.461 1.00 0.00 H new ATOM 0 HH TYR A 144 -13.608 -20.055 -3.240 1.00 0.00 H new ATOM 379 N ILE A 145 -11.317 -11.918 -0.724 1.00 0.00 N ATOM 380 CA ILE A 145 -11.204 -10.544 -0.236 1.00 0.00 C ATOM 381 C ILE A 145 -12.585 -9.937 -0.027 1.00 0.00 C ATOM 382 O ILE A 145 -13.572 -10.400 -0.598 1.00 0.00 O ATOM 383 CB ILE A 145 -10.417 -9.699 -1.234 1.00 0.00 C ATOM 384 CG1 ILE A 145 -11.059 -9.816 -2.620 1.00 0.00 C ATOM 385 CG2 ILE A 145 -8.969 -10.191 -1.295 1.00 0.00 C ATOM 386 CD1 ILE A 145 -10.442 -8.777 -3.560 1.00 0.00 C ATOM 0 H ILE A 145 -11.601 -11.998 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 145 -10.678 -10.558 0.719 1.00 0.00 H new ATOM 0 HB ILE A 145 -10.429 -8.657 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 145 -10.906 -10.819 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 145 -12.136 -9.662 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 145 -8.409 -9.586 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 145 -8.513 -10.104 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 145 -8.952 -11.234 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 145 -10.899 -8.861 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 145 -10.617 -7.777 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 145 -9.369 -8.952 -3.642 1.00 0.00 H new ATOM 398 N GLY A 146 -12.649 -8.897 0.798 1.00 0.00 N ATOM 399 CA GLY A 146 -13.919 -8.234 1.077 1.00 0.00 C ATOM 400 C GLY A 146 -14.224 -7.177 0.021 1.00 0.00 C ATOM 401 O GLY A 146 -13.332 -6.449 -0.418 1.00 0.00 O ATOM 0 H GLY A 146 -11.845 -8.497 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -14.721 -8.972 1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -13.883 -7.770 2.062 1.00 0.00 H new ATOM 405 N TYR A 147 -15.488 -7.094 -0.378 1.00 0.00 N ATOM 406 CA TYR A 147 -15.894 -6.118 -1.381 1.00 0.00 C ATOM 407 C TYR A 147 -15.694 -4.700 -0.856 1.00 0.00 C ATOM 408 O TYR A 147 -16.655 -4.026 -0.478 1.00 0.00 O ATOM 409 CB TYR A 147 -17.374 -6.328 -1.745 1.00 0.00 C ATOM 410 CG TYR A 147 -17.484 -7.346 -2.857 1.00 0.00 C ATOM 411 CD1 TYR A 147 -17.501 -8.710 -2.560 1.00 0.00 C ATOM 412 CD2 TYR A 147 -17.559 -6.913 -4.186 1.00 0.00 C ATOM 413 CE1 TYR A 147 -17.596 -9.647 -3.593 1.00 0.00 C ATOM 414 CE2 TYR A 147 -17.657 -7.849 -5.219 1.00 0.00 C ATOM 415 CZ TYR A 147 -17.675 -9.217 -4.922 1.00 0.00 C ATOM 416 OH TYR A 147 -17.773 -10.143 -5.942 1.00 0.00 O ATOM 0 H TYR A 147 -16.242 -7.684 -0.027 1.00 0.00 H new ATOM 0 HA TYR A 147 -15.278 -6.256 -2.269 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -17.929 -6.668 -0.871 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -17.819 -5.384 -2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -17.441 -9.041 -1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -17.541 -5.857 -4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -17.608 -10.703 -3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -17.719 -7.518 -6.245 1.00 0.00 H new ATOM 0 HH TYR A 147 -18.716 -10.273 -6.176 1.00 0.00 H new ATOM 426 N ARG A 148 -14.446 -4.251 -0.844 1.00 0.00 N ATOM 427 CA ARG A 148 -14.132 -2.906 -0.371 1.00 0.00 C ATOM 428 C ARG A 148 -12.867 -2.391 -1.041 1.00 0.00 C ATOM 429 O ARG A 148 -12.802 -1.241 -1.473 1.00 0.00 O ATOM 430 CB ARG A 148 -13.952 -2.916 1.146 1.00 0.00 C ATOM 431 CG ARG A 148 -13.713 -1.489 1.639 1.00 0.00 C ATOM 432 CD ARG A 148 -13.660 -1.482 3.167 1.00 0.00 C ATOM 433 NE ARG A 148 -12.515 -2.253 3.637 1.00 0.00 N ATOM 434 CZ ARG A 148 -12.359 -2.535 4.927 1.00 0.00 C ATOM 435 NH1 ARG A 148 -13.241 -2.125 5.796 1.00 0.00 N ATOM 436 NH2 ARG A 148 -11.324 -3.227 5.322 1.00 0.00 N ATOM 0 H ARG A 148 -13.639 -4.792 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 148 -14.958 -2.243 -0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -14.837 -3.335 1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -13.110 -3.553 1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -12.779 -1.103 1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -14.510 -0.833 1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -13.591 -0.457 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -14.581 -1.902 3.572 1.00 0.00 H new ATOM 0 HE ARG A 148 -11.822 -2.582 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -14.051 -1.588 5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -13.121 -2.342 6.785 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -10.637 -3.550 4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -11.203 -3.444 6.311 1.00 0.00 H new ATOM 450 N GLU A 149 -11.853 -3.250 -1.124 1.00 0.00 N ATOM 451 CA GLU A 149 -10.587 -2.871 -1.747 1.00 0.00 C ATOM 452 C GLU A 149 -10.538 -3.371 -3.185 1.00 0.00 C ATOM 453 O GLU A 149 -9.534 -3.200 -3.877 1.00 0.00 O ATOM 454 CB GLU A 149 -9.416 -3.457 -0.955 1.00 0.00 C ATOM 455 CG GLU A 149 -9.435 -2.902 0.474 1.00 0.00 C ATOM 456 CD GLU A 149 -10.416 -3.700 1.330 1.00 0.00 C ATOM 457 OE1 GLU A 149 -11.093 -4.556 0.779 1.00 0.00 O ATOM 458 OE2 GLU A 149 -10.468 -3.453 2.521 1.00 0.00 O ATOM 0 H GLU A 149 -11.882 -4.206 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 149 -10.510 -1.784 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -9.485 -4.545 -0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -8.473 -3.207 -1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -8.436 -2.954 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -9.722 -1.851 0.461 1.00 0.00 H new ATOM 465 N LEU A 150 -11.620 -4.006 -3.626 1.00 0.00 N ATOM 466 CA LEU A 150 -11.673 -4.540 -4.978 1.00 0.00 C ATOM 467 C LEU A 150 -11.437 -3.432 -6.000 1.00 0.00 C ATOM 468 O LEU A 150 -10.640 -3.592 -6.925 1.00 0.00 O ATOM 469 CB LEU A 150 -13.049 -5.170 -5.228 1.00 0.00 C ATOM 470 CG LEU A 150 -13.056 -5.865 -6.595 1.00 0.00 C ATOM 471 CD1 LEU A 150 -12.096 -7.066 -6.569 1.00 0.00 C ATOM 472 CD2 LEU A 150 -14.473 -6.350 -6.916 1.00 0.00 C ATOM 0 H LEU A 150 -12.462 -4.161 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 150 -10.893 -5.294 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -13.279 -5.889 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -13.823 -4.403 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 150 -12.732 -5.159 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -12.103 -7.558 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -11.087 -6.720 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -12.417 -7.772 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -14.477 -6.844 -7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -14.799 -7.054 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -15.153 -5.498 -6.939 1.00 0.00 H new ATOM 484 N GLY A 151 -12.127 -2.313 -5.823 1.00 0.00 N ATOM 485 CA GLY A 151 -11.974 -1.181 -6.733 1.00 0.00 C ATOM 486 C GLY A 151 -10.603 -0.533 -6.573 1.00 0.00 C ATOM 487 O GLY A 151 -9.967 -0.147 -7.552 1.00 0.00 O ATOM 0 H GLY A 151 -12.793 -2.163 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -12.104 -1.517 -7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -12.753 -0.445 -6.537 1.00 0.00 H new ATOM 491 N ASP A 152 -10.158 -0.408 -5.326 1.00 0.00 N ATOM 492 CA ASP A 152 -8.865 0.203 -5.045 1.00 0.00 C ATOM 493 C ASP A 152 -7.742 -0.626 -5.649 1.00 0.00 C ATOM 494 O ASP A 152 -6.647 -0.122 -5.904 1.00 0.00 O ATOM 495 CB ASP A 152 -8.658 0.320 -3.533 1.00 0.00 C ATOM 496 CG ASP A 152 -7.458 1.216 -3.239 1.00 0.00 C ATOM 497 OD1 ASP A 152 -6.800 1.619 -4.183 1.00 0.00 O ATOM 498 OD2 ASP A 152 -7.214 1.481 -2.073 1.00 0.00 O ATOM 0 H ASP A 152 -10.670 -0.719 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 152 -8.850 1.198 -5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -9.553 0.731 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -8.499 -0.668 -3.102 1.00 0.00 H new ATOM 503 N CYS A 153 -8.012 -1.909 -5.874 1.00 0.00 N ATOM 504 CA CYS A 153 -7.013 -2.801 -6.450 1.00 0.00 C ATOM 505 C CYS A 153 -7.050 -2.740 -7.973 1.00 0.00 C ATOM 506 O CYS A 153 -6.028 -2.917 -8.634 1.00 0.00 O ATOM 507 CB CYS A 153 -7.270 -4.239 -5.989 1.00 0.00 C ATOM 508 SG CYS A 153 -6.001 -5.331 -6.678 1.00 0.00 S ATOM 0 H CYS A 153 -8.908 -2.351 -5.668 1.00 0.00 H new ATOM 0 HA CYS A 153 -6.029 -2.479 -6.110 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -7.257 -4.291 -4.900 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -8.259 -4.564 -6.312 1.00 0.00 H new ATOM 0 HG CYS A 153 -5.487 -4.783 -7.739 1.00 0.00 H new ATOM 514 N MET A 154 -8.235 -2.494 -8.522 1.00 0.00 N ATOM 515 CA MET A 154 -8.392 -2.417 -9.968 1.00 0.00 C ATOM 516 C MET A 154 -7.596 -1.240 -10.528 1.00 0.00 C ATOM 517 O MET A 154 -6.950 -1.357 -11.570 1.00 0.00 O ATOM 518 CB MET A 154 -9.871 -2.255 -10.325 1.00 0.00 C ATOM 519 CG MET A 154 -10.047 -2.355 -11.843 1.00 0.00 C ATOM 520 SD MET A 154 -9.798 -4.071 -12.362 1.00 0.00 S ATOM 521 CE MET A 154 -11.543 -4.553 -12.403 1.00 0.00 C ATOM 0 H MET A 154 -9.094 -2.346 -7.992 1.00 0.00 H new ATOM 0 HA MET A 154 -8.014 -3.340 -10.408 1.00 0.00 H new ATOM 0 HB2 MET A 154 -10.462 -3.025 -9.829 1.00 0.00 H new ATOM 0 HB3 MET A 154 -10.238 -1.293 -9.969 1.00 0.00 H new ATOM 0 HG2 MET A 154 -11.043 -2.018 -12.128 1.00 0.00 H new ATOM 0 HG3 MET A 154 -9.333 -1.703 -12.347 1.00 0.00 H new ATOM 0 HE1 MET A 154 -11.620 -5.640 -12.440 1.00 0.00 H new ATOM 0 HE2 MET A 154 -12.043 -4.185 -11.507 1.00 0.00 H new ATOM 0 HE3 MET A 154 -12.018 -4.125 -13.286 1.00 0.00 H new ATOM 531 N ARG A 155 -7.652 -0.110 -9.834 1.00 0.00 N ATOM 532 CA ARG A 155 -6.937 1.081 -10.273 1.00 0.00 C ATOM 533 C ARG A 155 -5.433 0.898 -10.093 1.00 0.00 C ATOM 534 O ARG A 155 -4.633 1.593 -10.717 1.00 0.00 O ATOM 535 CB ARG A 155 -7.409 2.299 -9.475 1.00 0.00 C ATOM 536 CG ARG A 155 -7.090 2.093 -7.995 1.00 0.00 C ATOM 537 CD ARG A 155 -7.685 3.243 -7.181 1.00 0.00 C ATOM 538 NE ARG A 155 -7.066 4.506 -7.564 1.00 0.00 N ATOM 539 CZ ARG A 155 -5.828 4.808 -7.184 1.00 0.00 C ATOM 540 NH1 ARG A 155 -5.146 3.967 -6.457 1.00 0.00 N ATOM 541 NH2 ARG A 155 -5.297 5.946 -7.538 1.00 0.00 N ATOM 0 H ARG A 155 -8.182 0.006 -8.970 1.00 0.00 H new ATOM 0 HA ARG A 155 -7.147 1.240 -11.331 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -6.918 3.200 -9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -8.481 2.443 -9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -7.498 1.142 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -6.011 2.049 -7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -8.762 3.294 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -7.531 3.062 -6.117 1.00 0.00 H new ATOM 0 HE ARG A 155 -7.592 5.169 -8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -5.562 3.078 -6.180 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -4.196 4.198 -6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -5.831 6.603 -8.106 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -4.347 6.178 -7.247 1.00 0.00 H new ATOM 555 N THR A 156 -5.059 -0.042 -9.232 1.00 0.00 N ATOM 556 CA THR A 156 -3.655 -0.312 -8.974 1.00 0.00 C ATOM 557 C THR A 156 -3.030 -1.071 -10.134 1.00 0.00 C ATOM 558 O THR A 156 -1.833 -1.358 -10.137 1.00 0.00 O ATOM 559 CB THR A 156 -3.498 -1.118 -7.683 1.00 0.00 C ATOM 560 OG1 THR A 156 -4.091 -0.409 -6.606 1.00 0.00 O ATOM 561 CG2 THR A 156 -2.012 -1.347 -7.390 1.00 0.00 C ATOM 0 H THR A 156 -5.708 -0.626 -8.704 1.00 0.00 H new ATOM 0 HA THR A 156 -3.140 0.643 -8.864 1.00 0.00 H new ATOM 0 HB THR A 156 -3.992 -2.082 -7.800 1.00 0.00 H new ATOM 0 HG1 THR A 156 -5.065 -0.512 -6.643 1.00 0.00 H new ATOM 0 HG21 THR A 156 -1.907 -1.921 -6.470 1.00 0.00 H new ATOM 0 HG22 THR A 156 -1.559 -1.897 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.511 -0.386 -7.277 1.00 0.00 H new ATOM 569 N LEU A 157 -3.851 -1.402 -11.118 1.00 0.00 N ATOM 570 CA LEU A 157 -3.379 -2.143 -12.288 1.00 0.00 C ATOM 571 C LEU A 157 -2.963 -1.187 -13.396 1.00 0.00 C ATOM 572 O LEU A 157 -2.530 -1.606 -14.469 1.00 0.00 O ATOM 573 CB LEU A 157 -4.477 -3.075 -12.802 1.00 0.00 C ATOM 574 CG LEU A 157 -5.060 -3.873 -11.634 1.00 0.00 C ATOM 575 CD1 LEU A 157 -6.175 -4.785 -12.144 1.00 0.00 C ATOM 576 CD2 LEU A 157 -3.957 -4.722 -10.992 1.00 0.00 C ATOM 0 H LEU A 157 -4.845 -1.173 -11.135 1.00 0.00 H new ATOM 0 HA LEU A 157 -2.514 -2.735 -11.990 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -5.262 -2.496 -13.288 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -4.071 -3.753 -13.552 1.00 0.00 H new ATOM 0 HG LEU A 157 -5.466 -3.185 -10.892 1.00 0.00 H new ATOM 0 HD11 LEU A 157 -6.590 -5.353 -11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 157 -6.960 -4.181 -12.598 1.00 0.00 H new ATOM 0 HD13 LEU A 157 -5.771 -5.473 -12.887 1.00 0.00 H new ATOM 0 HD21 LEU A 157 -4.373 -5.290 -10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 157 -3.549 -5.410 -11.733 1.00 0.00 H new ATOM 0 HD23 LEU A 157 -3.163 -4.071 -10.626 1.00 0.00 H new ATOM 588 N GLY A 158 -3.101 0.102 -13.130 1.00 0.00 N ATOM 589 CA GLY A 158 -2.740 1.127 -14.115 1.00 0.00 C ATOM 590 C GLY A 158 -3.944 1.513 -14.959 1.00 0.00 C ATOM 591 O GLY A 158 -4.013 2.620 -15.494 1.00 0.00 O ATOM 0 H GLY A 158 -3.458 0.469 -12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -2.351 2.008 -13.604 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -1.943 0.754 -14.759 1.00 0.00 H new ATOM 595 N TYR A 159 -4.899 0.593 -15.080 1.00 0.00 N ATOM 596 CA TYR A 159 -6.103 0.852 -15.867 1.00 0.00 C ATOM 597 C TYR A 159 -7.186 1.466 -14.993 1.00 0.00 C ATOM 598 O TYR A 159 -7.562 0.908 -13.960 1.00 0.00 O ATOM 599 CB TYR A 159 -6.618 -0.451 -16.476 1.00 0.00 C ATOM 600 CG TYR A 159 -7.806 -0.157 -17.362 1.00 0.00 C ATOM 601 CD1 TYR A 159 -7.608 0.187 -18.705 1.00 0.00 C ATOM 602 CD2 TYR A 159 -9.104 -0.231 -16.842 1.00 0.00 C ATOM 603 CE1 TYR A 159 -8.708 0.460 -19.526 1.00 0.00 C ATOM 604 CE2 TYR A 159 -10.203 0.044 -17.664 1.00 0.00 C ATOM 605 CZ TYR A 159 -10.006 0.388 -19.007 1.00 0.00 C ATOM 606 OH TYR A 159 -11.090 0.658 -19.818 1.00 0.00 O ATOM 0 H TYR A 159 -4.864 -0.330 -14.648 1.00 0.00 H new ATOM 0 HA TYR A 159 -5.852 1.551 -16.664 1.00 0.00 H new ATOM 0 HB2 TYR A 159 -5.829 -0.931 -17.055 1.00 0.00 H new ATOM 0 HB3 TYR A 159 -6.903 -1.147 -15.686 1.00 0.00 H new ATOM 0 HD1 TYR A 159 -6.607 0.242 -19.107 1.00 0.00 H new ATOM 0 HD2 TYR A 159 -9.257 -0.500 -15.807 1.00 0.00 H new ATOM 0 HE1 TYR A 159 -8.555 0.727 -20.561 1.00 0.00 H new ATOM 0 HE2 TYR A 159 -11.204 -0.009 -17.262 1.00 0.00 H new ATOM 0 HH TYR A 159 -11.917 0.562 -19.301 1.00 0.00 H new ATOM 616 N MET A 160 -7.689 2.629 -15.409 1.00 0.00 N ATOM 617 CA MET A 160 -8.722 3.317 -14.656 1.00 0.00 C ATOM 618 C MET A 160 -10.112 2.841 -15.086 1.00 0.00 C ATOM 619 O MET A 160 -10.423 2.822 -16.281 1.00 0.00 O ATOM 620 CB MET A 160 -8.615 4.826 -14.860 1.00 0.00 C ATOM 621 CG MET A 160 -9.540 5.547 -13.875 1.00 0.00 C ATOM 622 SD MET A 160 -9.553 7.317 -14.247 1.00 0.00 S ATOM 623 CE MET A 160 -10.899 7.285 -15.457 1.00 0.00 C ATOM 0 H MET A 160 -7.395 3.108 -16.261 1.00 0.00 H new ATOM 0 HA MET A 160 -8.579 3.087 -13.600 1.00 0.00 H new ATOM 0 HB2 MET A 160 -7.585 5.151 -14.711 1.00 0.00 H new ATOM 0 HB3 MET A 160 -8.886 5.084 -15.884 1.00 0.00 H new ATOM 0 HG2 MET A 160 -10.550 5.142 -13.945 1.00 0.00 H new ATOM 0 HG3 MET A 160 -9.200 5.382 -12.853 1.00 0.00 H new ATOM 0 HE1 MET A 160 -11.080 8.294 -15.826 1.00 0.00 H new ATOM 0 HE2 MET A 160 -10.624 6.638 -16.290 1.00 0.00 H new ATOM 0 HE3 MET A 160 -11.804 6.904 -14.984 1.00 0.00 H new ATOM 633 N PRO A 161 -10.948 2.466 -14.148 1.00 0.00 N ATOM 634 CA PRO A 161 -12.325 1.992 -14.442 1.00 0.00 C ATOM 635 C PRO A 161 -13.248 3.135 -14.855 1.00 0.00 C ATOM 636 O PRO A 161 -13.139 4.248 -14.343 1.00 0.00 O ATOM 637 CB PRO A 161 -12.775 1.361 -13.119 1.00 0.00 C ATOM 638 CG PRO A 161 -11.989 2.063 -12.060 1.00 0.00 C ATOM 639 CD PRO A 161 -10.670 2.459 -12.698 1.00 0.00 C ATOM 0 HA PRO A 161 -12.355 1.296 -15.280 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -13.846 1.491 -12.965 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -12.580 0.289 -13.108 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -12.524 2.941 -11.697 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -11.825 1.412 -11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -10.340 3.439 -12.352 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -9.880 1.751 -12.449 1.00 0.00 H new ATOM 647 N THR A 162 -14.160 2.844 -15.774 1.00 0.00 N ATOM 648 CA THR A 162 -15.101 3.853 -16.239 1.00 0.00 C ATOM 649 C THR A 162 -15.818 4.504 -15.062 1.00 0.00 C ATOM 650 O THR A 162 -15.304 5.441 -14.454 1.00 0.00 O ATOM 651 CB THR A 162 -16.128 3.215 -17.179 1.00 0.00 C ATOM 652 OG1 THR A 162 -15.462 2.696 -18.324 1.00 0.00 O ATOM 653 CG2 THR A 162 -17.151 4.268 -17.619 1.00 0.00 C ATOM 0 H THR A 162 -14.267 1.927 -16.208 1.00 0.00 H new ATOM 0 HA THR A 162 -14.544 4.621 -16.776 1.00 0.00 H new ATOM 0 HB THR A 162 -16.643 2.408 -16.657 1.00 0.00 H new ATOM 0 HG1 THR A 162 -16.118 2.286 -18.926 1.00 0.00 H new ATOM 0 HG21 THR A 162 -17.880 3.810 -18.288 1.00 0.00 H new ATOM 0 HG22 THR A 162 -17.663 4.667 -16.743 1.00 0.00 H new ATOM 0 HG23 THR A 162 -16.639 5.077 -18.140 1.00 0.00 H new ATOM 661 N GLU A 163 -17.010 4.004 -14.748 1.00 0.00 N ATOM 662 CA GLU A 163 -17.786 4.544 -13.640 1.00 0.00 C ATOM 663 C GLU A 163 -19.032 3.699 -13.400 1.00 0.00 C ATOM 664 O GLU A 163 -19.285 3.255 -12.278 1.00 0.00 O ATOM 665 CB GLU A 163 -18.194 5.990 -13.942 1.00 0.00 C ATOM 666 CG GLU A 163 -18.916 6.579 -12.729 1.00 0.00 C ATOM 667 CD GLU A 163 -19.255 8.043 -12.983 1.00 0.00 C ATOM 668 OE1 GLU A 163 -18.676 8.616 -13.892 1.00 0.00 O ATOM 669 OE2 GLU A 163 -20.094 8.569 -12.271 1.00 0.00 O ATOM 0 H GLU A 163 -17.456 3.231 -15.242 1.00 0.00 H new ATOM 0 HA GLU A 163 -17.168 4.523 -12.742 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -17.313 6.586 -14.179 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -18.844 6.021 -14.816 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -19.828 6.016 -12.529 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -18.287 6.491 -11.843 1.00 0.00 H new ATOM 676 N MET A 164 -19.812 3.488 -14.456 1.00 0.00 N ATOM 677 CA MET A 164 -21.030 2.696 -14.345 1.00 0.00 C ATOM 678 C MET A 164 -20.694 1.212 -14.226 1.00 0.00 C ATOM 679 O MET A 164 -21.410 0.452 -13.575 1.00 0.00 O ATOM 680 CB MET A 164 -21.921 2.928 -15.568 1.00 0.00 C ATOM 681 CG MET A 164 -23.186 2.080 -15.448 1.00 0.00 C ATOM 682 SD MET A 164 -24.345 2.537 -16.761 1.00 0.00 S ATOM 683 CE MET A 164 -25.431 3.581 -15.757 1.00 0.00 C ATOM 0 H MET A 164 -19.624 3.851 -15.390 1.00 0.00 H new ATOM 0 HA MET A 164 -21.564 3.008 -13.447 1.00 0.00 H new ATOM 0 HB2 MET A 164 -22.184 3.983 -15.644 1.00 0.00 H new ATOM 0 HB3 MET A 164 -21.381 2.668 -16.479 1.00 0.00 H new ATOM 0 HG2 MET A 164 -22.936 1.022 -15.521 1.00 0.00 H new ATOM 0 HG3 MET A 164 -23.647 2.232 -14.472 1.00 0.00 H new ATOM 0 HE1 MET A 164 -26.233 3.976 -16.380 1.00 0.00 H new ATOM 0 HE2 MET A 164 -25.858 2.989 -14.947 1.00 0.00 H new ATOM 0 HE3 MET A 164 -24.856 4.407 -15.338 1.00 0.00 H new ATOM 693 N GLU A 165 -19.601 0.808 -14.868 1.00 0.00 N ATOM 694 CA GLU A 165 -19.182 -0.590 -14.833 1.00 0.00 C ATOM 695 C GLU A 165 -18.779 -0.981 -13.416 1.00 0.00 C ATOM 696 O GLU A 165 -19.132 -2.059 -12.934 1.00 0.00 O ATOM 697 CB GLU A 165 -18.003 -0.803 -15.786 1.00 0.00 C ATOM 698 CG GLU A 165 -17.743 -2.301 -15.945 1.00 0.00 C ATOM 699 CD GLU A 165 -18.874 -2.941 -16.743 1.00 0.00 C ATOM 700 OE1 GLU A 165 -19.703 -2.207 -17.254 1.00 0.00 O ATOM 701 OE2 GLU A 165 -18.890 -4.158 -16.838 1.00 0.00 O ATOM 0 H GLU A 165 -18.995 1.421 -15.413 1.00 0.00 H new ATOM 0 HA GLU A 165 -20.016 -1.217 -15.149 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -18.220 -0.355 -16.756 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -17.113 -0.307 -15.398 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -16.792 -2.462 -16.452 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -17.666 -2.772 -14.965 1.00 0.00 H new ATOM 708 N LEU A 166 -18.027 -0.108 -12.756 1.00 0.00 N ATOM 709 CA LEU A 166 -17.579 -0.378 -11.399 1.00 0.00 C ATOM 710 C LEU A 166 -18.774 -0.535 -10.459 1.00 0.00 C ATOM 711 O LEU A 166 -18.782 -1.408 -9.591 1.00 0.00 O ATOM 712 CB LEU A 166 -16.685 0.766 -10.905 1.00 0.00 C ATOM 713 CG LEU A 166 -15.806 0.273 -9.741 1.00 0.00 C ATOM 714 CD1 LEU A 166 -14.502 -0.311 -10.297 1.00 0.00 C ATOM 715 CD2 LEU A 166 -15.483 1.443 -8.810 1.00 0.00 C ATOM 0 H LEU A 166 -17.717 0.786 -13.137 1.00 0.00 H new ATOM 0 HA LEU A 166 -17.010 -1.308 -11.404 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -16.057 1.127 -11.720 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -17.299 1.606 -10.579 1.00 0.00 H new ATOM 0 HG LEU A 166 -16.342 -0.496 -9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -13.879 -0.660 -9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -14.731 -1.147 -10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -13.968 0.458 -10.855 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -14.861 1.092 -7.987 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -14.949 2.213 -9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -16.409 1.859 -8.413 1.00 0.00 H new ATOM 727 N LEU A 167 -19.773 0.320 -10.638 1.00 0.00 N ATOM 728 CA LEU A 167 -20.964 0.268 -9.803 1.00 0.00 C ATOM 729 C LEU A 167 -21.642 -1.090 -9.937 1.00 0.00 C ATOM 730 O LEU A 167 -22.114 -1.659 -8.951 1.00 0.00 O ATOM 731 CB LEU A 167 -21.940 1.377 -10.214 1.00 0.00 C ATOM 732 CG LEU A 167 -23.206 1.292 -9.356 1.00 0.00 C ATOM 733 CD1 LEU A 167 -22.837 1.440 -7.872 1.00 0.00 C ATOM 734 CD2 LEU A 167 -24.168 2.411 -9.756 1.00 0.00 C ATOM 0 H LEU A 167 -19.782 1.052 -11.348 1.00 0.00 H new ATOM 0 HA LEU A 167 -20.670 0.416 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -21.470 2.353 -10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -22.196 1.277 -11.269 1.00 0.00 H new ATOM 0 HG LEU A 167 -23.685 0.325 -9.514 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -23.740 1.379 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -22.153 0.641 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -22.356 2.405 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -25.069 2.351 -9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -23.688 3.377 -9.600 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -24.434 2.304 -10.808 1.00 0.00 H new ATOM 746 N GLU A 168 -21.703 -1.598 -11.159 1.00 0.00 N ATOM 747 CA GLU A 168 -22.338 -2.886 -11.410 1.00 0.00 C ATOM 748 C GLU A 168 -21.611 -3.988 -10.644 1.00 0.00 C ATOM 749 O GLU A 168 -22.236 -4.906 -10.111 1.00 0.00 O ATOM 750 CB GLU A 168 -22.309 -3.200 -12.907 1.00 0.00 C ATOM 751 CG GLU A 168 -23.165 -4.435 -13.191 1.00 0.00 C ATOM 752 CD GLU A 168 -24.643 -4.082 -13.064 1.00 0.00 C ATOM 753 OE1 GLU A 168 -24.939 -2.915 -12.874 1.00 0.00 O ATOM 754 OE2 GLU A 168 -25.457 -4.984 -13.168 1.00 0.00 O ATOM 0 H GLU A 168 -21.323 -1.142 -11.989 1.00 0.00 H new ATOM 0 HA GLU A 168 -23.373 -2.837 -11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -22.683 -2.348 -13.474 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -21.283 -3.374 -13.232 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -22.957 -4.810 -14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -22.911 -5.233 -12.493 1.00 0.00 H new ATOM 761 N VAL A 169 -20.290 -3.898 -10.596 1.00 0.00 N ATOM 762 CA VAL A 169 -19.486 -4.890 -9.897 1.00 0.00 C ATOM 763 C VAL A 169 -19.803 -4.885 -8.404 1.00 0.00 C ATOM 764 O VAL A 169 -19.898 -5.940 -7.776 1.00 0.00 O ATOM 765 CB VAL A 169 -17.996 -4.606 -10.106 1.00 0.00 C ATOM 766 CG1 VAL A 169 -17.162 -5.568 -9.255 1.00 0.00 C ATOM 767 CG2 VAL A 169 -17.642 -4.799 -11.582 1.00 0.00 C ATOM 0 H VAL A 169 -19.752 -3.149 -11.032 1.00 0.00 H new ATOM 0 HA VAL A 169 -19.726 -5.872 -10.305 1.00 0.00 H new ATOM 0 HB VAL A 169 -17.781 -3.580 -9.808 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -16.102 -5.363 -9.407 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -17.411 -5.432 -8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -17.378 -6.595 -9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -16.581 -4.597 -11.731 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -17.861 -5.825 -11.878 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -18.231 -4.113 -12.190 1.00 0.00 H new ATOM 777 N SER A 170 -19.959 -3.692 -7.845 1.00 0.00 N ATOM 778 CA SER A 170 -20.253 -3.559 -6.423 1.00 0.00 C ATOM 779 C SER A 170 -21.540 -4.301 -6.073 1.00 0.00 C ATOM 780 O SER A 170 -21.731 -4.727 -4.933 1.00 0.00 O ATOM 781 CB SER A 170 -20.400 -2.083 -6.052 1.00 0.00 C ATOM 782 OG SER A 170 -21.563 -1.556 -6.673 1.00 0.00 O ATOM 0 H SER A 170 -19.888 -2.808 -8.349 1.00 0.00 H new ATOM 0 HA SER A 170 -19.427 -3.993 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 170 -20.471 -1.974 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 170 -19.519 -1.526 -6.372 1.00 0.00 H new ATOM 0 HG SER A 170 -21.503 -1.686 -7.643 1.00 0.00 H new ATOM 788 N GLN A 171 -22.420 -4.451 -7.058 1.00 0.00 N ATOM 789 CA GLN A 171 -23.685 -5.145 -6.838 1.00 0.00 C ATOM 790 C GLN A 171 -23.478 -6.657 -6.878 1.00 0.00 C ATOM 791 O GLN A 171 -24.347 -7.424 -6.467 1.00 0.00 O ATOM 792 CB GLN A 171 -24.695 -4.740 -7.914 1.00 0.00 C ATOM 793 CG GLN A 171 -24.933 -3.232 -7.849 1.00 0.00 C ATOM 794 CD GLN A 171 -25.580 -2.859 -6.520 1.00 0.00 C ATOM 795 OE1 GLN A 171 -26.615 -3.415 -6.156 1.00 0.00 O ATOM 796 NE2 GLN A 171 -25.029 -1.947 -5.768 1.00 0.00 N ATOM 0 H GLN A 171 -22.283 -4.105 -8.008 1.00 0.00 H new ATOM 0 HA GLN A 171 -24.067 -4.866 -5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -24.323 -5.018 -8.900 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -25.634 -5.274 -7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -23.988 -2.702 -7.963 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -25.574 -2.922 -8.674 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -24.171 -1.487 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -25.456 -1.694 -4.877 1.00 0.00 H new ATOM 805 N HIS A 172 -22.317 -7.077 -7.371 1.00 0.00 N ATOM 806 CA HIS A 172 -22.001 -8.498 -7.457 1.00 0.00 C ATOM 807 C HIS A 172 -22.102 -9.153 -6.084 1.00 0.00 C ATOM 808 O HIS A 172 -22.055 -10.376 -5.962 1.00 0.00 O ATOM 809 CB HIS A 172 -20.590 -8.689 -8.014 1.00 0.00 C ATOM 810 CG HIS A 172 -20.404 -10.124 -8.433 1.00 0.00 C ATOM 811 ND1 HIS A 172 -19.703 -11.034 -7.660 1.00 0.00 N ATOM 812 CD2 HIS A 172 -20.823 -10.816 -9.542 1.00 0.00 C ATOM 813 CE1 HIS A 172 -19.722 -12.214 -8.307 1.00 0.00 C ATOM 814 NE2 HIS A 172 -20.391 -12.136 -9.461 1.00 0.00 N ATOM 0 H HIS A 172 -21.583 -6.457 -7.715 1.00 0.00 H new ATOM 0 HA HIS A 172 -22.720 -8.970 -8.126 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -20.431 -8.027 -8.865 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -19.851 -8.421 -7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -21.400 -10.399 -10.354 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -19.253 -13.114 -7.938 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -20.551 -12.883 -10.137 1.00 0.00 H new ATOM 822 N VAL A 173 -22.239 -8.329 -5.052 1.00 0.00 N ATOM 823 CA VAL A 173 -22.340 -8.829 -3.688 1.00 0.00 C ATOM 824 C VAL A 173 -23.607 -9.641 -3.512 1.00 0.00 C ATOM 825 O VAL A 173 -23.593 -10.706 -2.888 1.00 0.00 O ATOM 826 CB VAL A 173 -22.342 -7.668 -2.696 1.00 0.00 C ATOM 827 CG1 VAL A 173 -22.509 -8.208 -1.274 1.00 0.00 C ATOM 828 CG2 VAL A 173 -21.021 -6.909 -2.802 1.00 0.00 C ATOM 0 H VAL A 173 -22.283 -7.313 -5.134 1.00 0.00 H new ATOM 0 HA VAL A 173 -21.477 -9.467 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 173 -23.168 -6.995 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -22.510 -7.378 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -23.452 -8.750 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -21.684 -8.881 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -21.020 -6.080 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -20.195 -7.582 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -20.904 -6.523 -3.814 1.00 0.00 H new ATOM 925 N GLY A 179 -19.597 -9.836 -0.414 1.00 0.00 N ATOM 926 CA GLY A 179 -19.580 -11.086 -1.175 1.00 0.00 C ATOM 927 C GLY A 179 -18.229 -11.766 -1.066 1.00 0.00 C ATOM 928 O GLY A 179 -17.284 -11.211 -0.495 1.00 0.00 O ATOM 0 HA2 GLY A 179 -20.358 -11.753 -0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -19.806 -10.883 -2.222 1.00 0.00 H new ATOM 932 N PHE A 180 -18.121 -12.979 -1.625 1.00 0.00 N ATOM 933 CA PHE A 180 -16.866 -13.722 -1.585 1.00 0.00 C ATOM 934 C PHE A 180 -16.382 -14.007 -3.001 1.00 0.00 C ATOM 935 O PHE A 180 -17.112 -14.565 -3.821 1.00 0.00 O ATOM 936 CB PHE A 180 -17.070 -15.037 -0.835 1.00 0.00 C ATOM 937 CG PHE A 180 -17.227 -14.753 0.640 1.00 0.00 C ATOM 938 CD1 PHE A 180 -16.100 -14.719 1.469 1.00 0.00 C ATOM 939 CD2 PHE A 180 -18.499 -14.523 1.177 1.00 0.00 C ATOM 940 CE1 PHE A 180 -16.245 -14.454 2.837 1.00 0.00 C ATOM 941 CE2 PHE A 180 -18.644 -14.258 2.544 1.00 0.00 C ATOM 942 CZ PHE A 180 -17.517 -14.226 3.375 1.00 0.00 C ATOM 0 H PHE A 180 -18.883 -13.458 -2.105 1.00 0.00 H new ATOM 0 HA PHE A 180 -16.116 -13.124 -1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -17.953 -15.551 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 180 -16.220 -15.699 -1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 180 -15.119 -14.897 1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -19.368 -14.550 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 180 -15.375 -14.426 3.477 1.00 0.00 H new ATOM 0 HE2 PHE A 180 -19.625 -14.078 2.958 1.00 0.00 H new ATOM 0 HZ PHE A 180 -17.629 -14.026 4.430 1.00 0.00 H new ATOM 952 N VAL A 181 -15.135 -13.636 -3.281 1.00 0.00 N ATOM 953 CA VAL A 181 -14.555 -13.867 -4.600 1.00 0.00 C ATOM 954 C VAL A 181 -13.056 -14.122 -4.496 1.00 0.00 C ATOM 955 O VAL A 181 -12.318 -13.317 -3.931 1.00 0.00 O ATOM 956 CB VAL A 181 -14.808 -12.650 -5.499 1.00 0.00 C ATOM 957 CG1 VAL A 181 -16.221 -12.722 -6.083 1.00 0.00 C ATOM 958 CG2 VAL A 181 -14.666 -11.370 -4.672 1.00 0.00 C ATOM 0 H VAL A 181 -14.511 -13.177 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 181 -15.028 -14.748 -5.034 1.00 0.00 H new ATOM 0 HB VAL A 181 -14.082 -12.646 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -16.396 -11.855 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -16.325 -13.633 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -16.950 -12.729 -5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -14.845 -10.504 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -15.392 -11.380 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -13.659 -11.314 -4.258 1.00 0.00 H new ATOM 968 N ASP A 182 -12.612 -15.243 -5.053 1.00 0.00 N ATOM 969 CA ASP A 182 -11.196 -15.588 -5.030 1.00 0.00 C ATOM 970 C ASP A 182 -10.450 -14.844 -6.134 1.00 0.00 C ATOM 971 O ASP A 182 -11.059 -14.151 -6.953 1.00 0.00 O ATOM 972 CB ASP A 182 -11.020 -17.094 -5.222 1.00 0.00 C ATOM 973 CG ASP A 182 -9.580 -17.492 -4.922 1.00 0.00 C ATOM 974 OD1 ASP A 182 -8.911 -16.743 -4.229 1.00 0.00 O ATOM 975 OD2 ASP A 182 -9.166 -18.542 -5.388 1.00 0.00 O ATOM 0 H ASP A 182 -13.208 -15.924 -5.523 1.00 0.00 H new ATOM 0 HA ASP A 182 -10.785 -15.296 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -11.700 -17.635 -4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -11.277 -17.371 -6.244 1.00 0.00 H new ATOM 980 N PHE A 183 -9.129 -14.986 -6.152 1.00 0.00 N ATOM 981 CA PHE A 183 -8.312 -14.319 -7.159 1.00 0.00 C ATOM 982 C PHE A 183 -8.711 -14.778 -8.556 1.00 0.00 C ATOM 983 O PHE A 183 -8.505 -14.067 -9.539 1.00 0.00 O ATOM 984 CB PHE A 183 -6.832 -14.626 -6.921 1.00 0.00 C ATOM 985 CG PHE A 183 -5.996 -13.928 -7.969 1.00 0.00 C ATOM 986 CD1 PHE A 183 -5.935 -12.530 -7.996 1.00 0.00 C ATOM 987 CD2 PHE A 183 -5.288 -14.678 -8.917 1.00 0.00 C ATOM 988 CE1 PHE A 183 -5.163 -11.882 -8.967 1.00 0.00 C ATOM 989 CE2 PHE A 183 -4.516 -14.031 -9.885 1.00 0.00 C ATOM 990 CZ PHE A 183 -4.455 -12.633 -9.912 1.00 0.00 C ATOM 0 H PHE A 183 -8.604 -15.553 -5.486 1.00 0.00 H new ATOM 0 HA PHE A 183 -8.475 -13.244 -7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 183 -6.537 -14.295 -5.925 1.00 0.00 H new ATOM 0 HB3 PHE A 183 -6.662 -15.702 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 183 -6.484 -11.951 -7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 183 -5.339 -15.757 -8.900 1.00 0.00 H new ATOM 0 HE1 PHE A 183 -5.114 -10.803 -8.987 1.00 0.00 H new ATOM 0 HE2 PHE A 183 -3.966 -14.610 -10.613 1.00 0.00 H new ATOM 0 HZ PHE A 183 -3.861 -12.133 -10.663 1.00 0.00 H new ATOM 1000 N GLU A 184 -9.277 -15.978 -8.645 1.00 0.00 N ATOM 1001 CA GLU A 184 -9.696 -16.521 -9.934 1.00 0.00 C ATOM 1002 C GLU A 184 -11.101 -16.041 -10.283 1.00 0.00 C ATOM 1003 O GLU A 184 -11.501 -16.057 -11.443 1.00 0.00 O ATOM 1004 CB GLU A 184 -9.679 -18.050 -9.886 1.00 0.00 C ATOM 1005 CG GLU A 184 -8.274 -18.533 -9.532 1.00 0.00 C ATOM 1006 CD GLU A 184 -8.249 -20.056 -9.447 1.00 0.00 C ATOM 1007 OE1 GLU A 184 -9.294 -20.655 -9.635 1.00 0.00 O ATOM 1008 OE2 GLU A 184 -7.185 -20.600 -9.201 1.00 0.00 O ATOM 0 H GLU A 184 -9.455 -16.589 -7.848 1.00 0.00 H new ATOM 0 HA GLU A 184 -9.001 -16.172 -10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 184 -10.395 -18.409 -9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 184 -9.983 -18.458 -10.850 1.00 0.00 H new ATOM 0 HG2 GLU A 184 -7.563 -18.191 -10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 184 -7.962 -18.103 -8.580 1.00 0.00 H new ATOM 1015 N GLU A 185 -11.842 -15.606 -9.267 1.00 0.00 N ATOM 1016 CA GLU A 185 -13.203 -15.118 -9.478 1.00 0.00 C ATOM 1017 C GLU A 185 -13.185 -13.653 -9.910 1.00 0.00 C ATOM 1018 O GLU A 185 -13.963 -13.236 -10.765 1.00 0.00 O ATOM 1019 CB GLU A 185 -14.015 -15.261 -8.190 1.00 0.00 C ATOM 1020 CG GLU A 185 -14.257 -16.744 -7.897 1.00 0.00 C ATOM 1021 CD GLU A 185 -15.209 -17.332 -8.935 1.00 0.00 C ATOM 1022 OE1 GLU A 185 -15.769 -16.563 -9.701 1.00 0.00 O ATOM 1023 OE2 GLU A 185 -15.389 -18.538 -8.929 1.00 0.00 O ATOM 0 H GLU A 185 -11.527 -15.581 -8.297 1.00 0.00 H new ATOM 0 HA GLU A 185 -13.665 -15.713 -10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 185 -13.482 -14.798 -7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 185 -14.967 -14.739 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 185 -13.311 -17.285 -7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 185 -14.677 -16.862 -6.898 1.00 0.00 H new ATOM 1030 N PHE A 186 -12.294 -12.878 -9.307 1.00 0.00 N ATOM 1031 CA PHE A 186 -12.178 -11.468 -9.640 1.00 0.00 C ATOM 1032 C PHE A 186 -11.494 -11.294 -10.998 1.00 0.00 C ATOM 1033 O PHE A 186 -11.831 -10.384 -11.755 1.00 0.00 O ATOM 1034 CB PHE A 186 -11.375 -10.734 -8.547 1.00 0.00 C ATOM 1035 CG PHE A 186 -10.656 -9.539 -9.143 1.00 0.00 C ATOM 1036 CD1 PHE A 186 -11.390 -8.439 -9.594 1.00 0.00 C ATOM 1037 CD2 PHE A 186 -9.266 -9.556 -9.265 1.00 0.00 C ATOM 1038 CE1 PHE A 186 -10.730 -7.345 -10.160 1.00 0.00 C ATOM 1039 CE2 PHE A 186 -8.602 -8.463 -9.831 1.00 0.00 C ATOM 1040 CZ PHE A 186 -9.334 -7.358 -10.279 1.00 0.00 C ATOM 0 H PHE A 186 -11.645 -13.201 -8.589 1.00 0.00 H new ATOM 0 HA PHE A 186 -13.179 -11.039 -9.697 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -12.044 -10.406 -7.751 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -10.653 -11.415 -8.096 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -12.466 -8.434 -9.505 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -8.704 -10.412 -8.923 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -11.295 -6.491 -10.505 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -7.526 -8.472 -9.922 1.00 0.00 H new ATOM 0 HZ PHE A 186 -8.822 -6.514 -10.717 1.00 0.00 H new ATOM 1050 N VAL A 187 -10.508 -12.134 -11.269 1.00 0.00 N ATOM 1051 CA VAL A 187 -9.763 -12.035 -12.514 1.00 0.00 C ATOM 1052 C VAL A 187 -10.634 -12.471 -13.692 1.00 0.00 C ATOM 1053 O VAL A 187 -10.753 -11.752 -14.680 1.00 0.00 O ATOM 1054 CB VAL A 187 -8.510 -12.915 -12.441 1.00 0.00 C ATOM 1055 CG1 VAL A 187 -7.842 -12.978 -13.820 1.00 0.00 C ATOM 1056 CG2 VAL A 187 -7.524 -12.320 -11.429 1.00 0.00 C ATOM 0 H VAL A 187 -10.207 -12.886 -10.649 1.00 0.00 H new ATOM 0 HA VAL A 187 -9.467 -10.997 -12.663 1.00 0.00 H new ATOM 0 HB VAL A 187 -8.795 -13.920 -12.128 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -6.952 -13.604 -13.765 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -8.539 -13.401 -14.543 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -7.560 -11.973 -14.134 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -6.633 -12.946 -11.378 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -7.243 -11.315 -11.743 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -7.994 -12.276 -10.446 1.00 0.00 H new ATOM 1066 N GLU A 188 -11.212 -13.661 -13.579 1.00 0.00 N ATOM 1067 CA GLU A 188 -12.051 -14.189 -14.646 1.00 0.00 C ATOM 1068 C GLU A 188 -13.196 -13.234 -14.955 1.00 0.00 C ATOM 1069 O GLU A 188 -13.837 -13.337 -15.998 1.00 0.00 O ATOM 1070 CB GLU A 188 -12.610 -15.555 -14.235 1.00 0.00 C ATOM 1071 CG GLU A 188 -13.652 -15.373 -13.130 1.00 0.00 C ATOM 1072 CD GLU A 188 -14.080 -16.728 -12.587 1.00 0.00 C ATOM 1073 OE1 GLU A 188 -13.230 -17.593 -12.478 1.00 0.00 O ATOM 1074 OE2 GLU A 188 -15.251 -16.874 -12.276 1.00 0.00 O ATOM 0 H GLU A 188 -11.116 -14.272 -12.768 1.00 0.00 H new ATOM 0 HA GLU A 188 -11.443 -14.299 -15.544 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -13.061 -16.048 -15.096 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -11.803 -16.199 -13.885 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -13.238 -14.764 -12.326 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -14.518 -14.839 -13.521 1.00 0.00 H new ATOM 1081 N LEU A 189 -13.447 -12.307 -14.033 1.00 0.00 N ATOM 1082 CA LEU A 189 -14.521 -11.347 -14.217 1.00 0.00 C ATOM 1083 C LEU A 189 -14.115 -10.264 -15.217 1.00 0.00 C ATOM 1084 O LEU A 189 -14.805 -10.030 -16.208 1.00 0.00 O ATOM 1085 CB LEU A 189 -14.872 -10.693 -12.876 1.00 0.00 C ATOM 1086 CG LEU A 189 -16.047 -9.727 -13.062 1.00 0.00 C ATOM 1087 CD1 LEU A 189 -17.281 -10.499 -13.549 1.00 0.00 C ATOM 1088 CD2 LEU A 189 -16.361 -9.047 -11.730 1.00 0.00 C ATOM 0 H LEU A 189 -12.926 -12.204 -13.162 1.00 0.00 H new ATOM 0 HA LEU A 189 -15.390 -11.878 -14.606 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -15.131 -11.458 -12.144 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -14.007 -10.157 -12.485 1.00 0.00 H new ATOM 0 HG LEU A 189 -15.781 -8.973 -13.803 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -18.114 -9.808 -13.680 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -17.056 -10.981 -14.500 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -17.550 -11.257 -12.813 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -17.197 -8.359 -11.861 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -16.625 -9.802 -10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -15.486 -8.494 -11.389 1.00 0.00 H new ATOM 1100 N ILE A 190 -12.991 -9.608 -14.943 1.00 0.00 N ATOM 1101 CA ILE A 190 -12.502 -8.554 -15.825 1.00 0.00 C ATOM 1102 C ILE A 190 -11.963 -9.146 -17.122 1.00 0.00 C ATOM 1103 O ILE A 190 -12.054 -8.529 -18.183 1.00 0.00 O ATOM 1104 CB ILE A 190 -11.401 -7.760 -15.126 1.00 0.00 C ATOM 1105 CG1 ILE A 190 -10.848 -6.703 -16.086 1.00 0.00 C ATOM 1106 CG2 ILE A 190 -10.274 -8.704 -14.706 1.00 0.00 C ATOM 1107 CD1 ILE A 190 -9.964 -5.721 -15.314 1.00 0.00 C ATOM 0 H ILE A 190 -12.407 -9.785 -14.126 1.00 0.00 H new ATOM 0 HA ILE A 190 -13.333 -7.890 -16.063 1.00 0.00 H new ATOM 0 HB ILE A 190 -11.812 -7.272 -14.242 1.00 0.00 H new ATOM 0 HG12 ILE A 190 -10.272 -7.182 -16.878 1.00 0.00 H new ATOM 0 HG13 ILE A 190 -11.668 -6.169 -16.567 1.00 0.00 H new ATOM 0 HG21 ILE A 190 -9.489 -8.135 -14.207 1.00 0.00 H new ATOM 0 HG22 ILE A 190 -10.666 -9.457 -14.023 1.00 0.00 H new ATOM 0 HG23 ILE A 190 -9.862 -9.194 -15.588 1.00 0.00 H new ATOM 0 HD11 ILE A 190 -9.571 -4.969 -15.999 1.00 0.00 H new ATOM 0 HD12 ILE A 190 -10.554 -5.232 -14.539 1.00 0.00 H new ATOM 0 HD13 ILE A 190 -9.136 -6.261 -14.854 1.00 0.00 H new ATOM 1119 N SER A 191 -11.399 -10.346 -17.029 1.00 0.00 N ATOM 1120 CA SER A 191 -10.846 -11.011 -18.203 1.00 0.00 C ATOM 1121 C SER A 191 -10.580 -12.484 -17.908 1.00 0.00 C ATOM 1122 O SER A 191 -10.941 -13.307 -18.733 1.00 0.00 O ATOM 1123 CB SER A 191 -9.543 -10.331 -18.623 1.00 0.00 C ATOM 1124 OG SER A 191 -9.830 -9.029 -19.116 1.00 0.00 O ATOM 0 H SER A 191 -11.313 -10.874 -16.161 1.00 0.00 H new ATOM 0 HA SER A 191 -11.571 -10.939 -19.014 1.00 0.00 H new ATOM 0 HB2 SER A 191 -8.862 -10.269 -17.774 1.00 0.00 H new ATOM 0 HB3 SER A 191 -9.043 -10.921 -19.391 1.00 0.00 H new ATOM 0 HG SER A 191 -10.800 -8.916 -19.195 1.00 0.00 H new