USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=9 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 -88:sc= 0.59 USER MOD Set 1.2: A 172 HIS : no HD1:sc= -1.28! C(o=-0.69!,f=-4.6!) USER MOD Single : A 131 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.00953 USER MOD Single : A 141 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.72) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 CYS SG : rot -73:sc= -4.23! USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 74:sc= 0.865 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 170 SER OG : rot 180:sc= 0 USER MOD Single : A 171 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.37) USER MOD Single : A 191 SER OG : rot -25:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 123 -0.610 -12.800 -21.880 1.00 0.00 N ATOM 59 CA GLY A 123 0.179 -13.935 -21.420 1.00 0.00 C ATOM 60 C GLY A 123 0.304 -13.937 -19.901 1.00 0.00 C ATOM 61 O GLY A 123 -0.249 -13.072 -19.221 1.00 0.00 O ATOM 0 HA2 GLY A 123 -0.287 -14.863 -21.751 1.00 0.00 H new ATOM 0 HA3 GLY A 123 1.171 -13.898 -21.870 1.00 0.00 H new ATOM 65 N PRO A 124 1.016 -14.890 -19.366 1.00 0.00 N ATOM 66 CA PRO A 124 1.219 -15.013 -17.893 1.00 0.00 C ATOM 67 C PRO A 124 1.752 -13.719 -17.282 1.00 0.00 C ATOM 68 O PRO A 124 1.356 -13.333 -16.186 1.00 0.00 O ATOM 69 CB PRO A 124 2.250 -16.144 -17.760 1.00 0.00 C ATOM 70 CG PRO A 124 2.134 -16.939 -19.017 1.00 0.00 C ATOM 71 CD PRO A 124 1.705 -15.958 -20.109 1.00 0.00 C ATOM 0 HA PRO A 124 0.287 -15.217 -17.365 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.257 -15.745 -17.640 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.045 -16.761 -16.885 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.085 -17.409 -19.269 1.00 0.00 H new ATOM 0 HG3 PRO A 124 1.403 -17.739 -18.904 1.00 0.00 H new ATOM 0 HD2 PRO A 124 2.562 -15.573 -20.661 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.044 -16.431 -20.836 1.00 0.00 H new ATOM 79 N GLU A 125 2.652 -13.058 -18.004 1.00 0.00 N ATOM 80 CA GLU A 125 3.240 -11.811 -17.523 1.00 0.00 C ATOM 81 C GLU A 125 2.151 -10.901 -16.957 1.00 0.00 C ATOM 82 O GLU A 125 2.279 -10.395 -15.841 1.00 0.00 O ATOM 83 CB GLU A 125 3.965 -11.102 -18.665 1.00 0.00 C ATOM 84 CG GLU A 125 4.655 -9.848 -18.131 1.00 0.00 C ATOM 85 CD GLU A 125 5.436 -9.166 -19.249 1.00 0.00 C ATOM 86 OE1 GLU A 125 5.268 -9.565 -20.390 1.00 0.00 O ATOM 87 OE2 GLU A 125 6.193 -8.258 -18.947 1.00 0.00 O ATOM 0 H GLU A 125 2.988 -13.362 -18.918 1.00 0.00 H new ATOM 0 HA GLU A 125 3.956 -12.041 -16.734 1.00 0.00 H new ATOM 0 HB2 GLU A 125 4.699 -11.771 -19.114 1.00 0.00 H new ATOM 0 HB3 GLU A 125 3.256 -10.834 -19.449 1.00 0.00 H new ATOM 0 HG2 GLU A 125 3.914 -9.161 -17.723 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.328 -10.113 -17.315 1.00 0.00 H new ATOM 94 N GLU A 126 1.094 -10.703 -17.732 1.00 0.00 N ATOM 95 CA GLU A 126 -0.015 -9.854 -17.295 1.00 0.00 C ATOM 96 C GLU A 126 -0.675 -10.463 -16.060 1.00 0.00 C ATOM 97 O GLU A 126 -0.931 -9.767 -15.077 1.00 0.00 O ATOM 98 CB GLU A 126 -1.037 -9.717 -18.416 1.00 0.00 C ATOM 99 CG GLU A 126 -0.399 -8.998 -19.606 1.00 0.00 C ATOM 100 CD GLU A 126 -0.063 -7.560 -19.228 1.00 0.00 C ATOM 101 OE1 GLU A 126 -0.644 -7.067 -18.276 1.00 0.00 O ATOM 102 OE2 GLU A 126 0.770 -6.971 -19.897 1.00 0.00 O ATOM 0 H GLU A 126 0.977 -11.113 -18.659 1.00 0.00 H new ATOM 0 HA GLU A 126 0.369 -8.865 -17.044 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.392 -10.702 -18.721 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.905 -9.160 -18.064 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.505 -9.522 -19.916 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -1.081 -9.009 -20.456 1.00 0.00 H new ATOM 109 N LEU A 127 -0.966 -11.758 -16.124 1.00 0.00 N ATOM 110 CA LEU A 127 -1.599 -12.438 -15.002 1.00 0.00 C ATOM 111 C LEU A 127 -0.756 -12.283 -13.744 1.00 0.00 C ATOM 112 O LEU A 127 -1.284 -12.014 -12.661 1.00 0.00 O ATOM 113 CB LEU A 127 -1.762 -13.929 -15.326 1.00 0.00 C ATOM 114 CG LEU A 127 -2.348 -14.654 -14.109 1.00 0.00 C ATOM 115 CD1 LEU A 127 -3.679 -14.008 -13.714 1.00 0.00 C ATOM 116 CD2 LEU A 127 -2.579 -16.127 -14.458 1.00 0.00 C ATOM 0 H LEU A 127 -0.776 -12.351 -16.932 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.578 -11.991 -14.830 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.417 -14.056 -16.188 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.798 -14.362 -15.592 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.651 -14.581 -13.274 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.092 -14.526 -12.849 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.515 -12.960 -13.465 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.379 -14.078 -14.547 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.996 -16.645 -13.594 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.275 -16.198 -15.294 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.631 -16.588 -14.735 1.00 0.00 H new ATOM 128 N GLU A 128 0.552 -12.450 -13.888 1.00 0.00 N ATOM 129 CA GLU A 128 1.457 -12.321 -12.753 1.00 0.00 C ATOM 130 C GLU A 128 1.295 -10.958 -12.095 1.00 0.00 C ATOM 131 O GLU A 128 1.379 -10.834 -10.873 1.00 0.00 O ATOM 132 CB GLU A 128 2.906 -12.502 -13.215 1.00 0.00 C ATOM 133 CG GLU A 128 3.148 -13.965 -13.588 1.00 0.00 C ATOM 134 CD GLU A 128 4.569 -14.143 -14.110 1.00 0.00 C ATOM 135 OE1 GLU A 128 5.274 -13.151 -14.199 1.00 0.00 O ATOM 136 OE2 GLU A 128 4.933 -15.268 -14.408 1.00 0.00 O ATOM 0 H GLU A 128 1.008 -12.673 -14.773 1.00 0.00 H new ATOM 0 HA GLU A 128 1.211 -13.094 -12.025 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.108 -11.860 -14.072 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.591 -12.200 -12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.989 -14.602 -12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 128 2.431 -14.278 -14.347 1.00 0.00 H new ATOM 143 N GLU A 129 1.058 -9.939 -12.913 1.00 0.00 N ATOM 144 CA GLU A 129 0.885 -8.585 -12.397 1.00 0.00 C ATOM 145 C GLU A 129 -0.334 -8.522 -11.483 1.00 0.00 C ATOM 146 O GLU A 129 -0.292 -7.910 -10.416 1.00 0.00 O ATOM 147 CB GLU A 129 0.709 -7.603 -13.557 1.00 0.00 C ATOM 148 CG GLU A 129 0.720 -6.172 -13.019 1.00 0.00 C ATOM 149 CD GLU A 129 0.602 -5.180 -14.172 1.00 0.00 C ATOM 150 OE1 GLU A 129 0.779 -5.596 -15.305 1.00 0.00 O ATOM 151 OE2 GLU A 129 0.334 -4.020 -13.904 1.00 0.00 O ATOM 0 H GLU A 129 0.982 -10.022 -13.927 1.00 0.00 H new ATOM 0 HA GLU A 129 1.772 -8.312 -11.826 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.510 -7.736 -14.285 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.229 -7.801 -14.076 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -0.105 -6.031 -12.321 1.00 0.00 H new ATOM 0 HG3 GLU A 129 1.641 -5.990 -12.465 1.00 0.00 H new ATOM 158 N LEU A 130 -1.417 -9.161 -11.907 1.00 0.00 N ATOM 159 CA LEU A 130 -2.643 -9.179 -11.118 1.00 0.00 C ATOM 160 C LEU A 130 -2.409 -9.906 -9.798 1.00 0.00 C ATOM 161 O LEU A 130 -2.922 -9.503 -8.753 1.00 0.00 O ATOM 162 CB LEU A 130 -3.760 -9.877 -11.896 1.00 0.00 C ATOM 163 CG LEU A 130 -3.859 -9.269 -13.298 1.00 0.00 C ATOM 164 CD1 LEU A 130 -4.989 -9.950 -14.071 1.00 0.00 C ATOM 165 CD2 LEU A 130 -4.143 -7.768 -13.190 1.00 0.00 C ATOM 0 H LEU A 130 -1.472 -9.671 -12.788 1.00 0.00 H new ATOM 0 HA LEU A 130 -2.938 -8.150 -10.912 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -3.558 -10.946 -11.964 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -4.709 -9.765 -11.371 1.00 0.00 H new ATOM 0 HG LEU A 130 -2.917 -9.420 -13.825 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -5.060 -9.517 -15.069 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -4.783 -11.017 -14.152 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -5.931 -9.802 -13.544 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -4.213 -7.338 -14.189 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -5.084 -7.613 -12.662 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -3.335 -7.283 -12.642 1.00 0.00 H new ATOM 177 N GLN A 131 -1.632 -10.986 -9.853 1.00 0.00 N ATOM 178 CA GLN A 131 -1.339 -11.766 -8.656 1.00 0.00 C ATOM 179 C GLN A 131 -0.577 -10.915 -7.647 1.00 0.00 C ATOM 180 O GLN A 131 -0.867 -10.945 -6.451 1.00 0.00 O ATOM 181 CB GLN A 131 -0.507 -12.994 -9.023 1.00 0.00 C ATOM 182 CG GLN A 131 -0.264 -13.840 -7.772 1.00 0.00 C ATOM 183 CD GLN A 131 0.440 -15.139 -8.148 1.00 0.00 C ATOM 184 OE1 GLN A 131 0.778 -15.349 -9.313 1.00 0.00 O ATOM 185 NE2 GLN A 131 0.683 -16.029 -7.224 1.00 0.00 N ATOM 0 H GLN A 131 -1.198 -11.337 -10.707 1.00 0.00 H new ATOM 0 HA GLN A 131 -2.280 -12.089 -8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -1.025 -13.584 -9.779 1.00 0.00 H new ATOM 0 HB3 GLN A 131 0.444 -12.685 -9.456 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.342 -13.282 -7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -1.213 -14.060 -7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 131 0.402 -15.853 -6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 131 1.154 -16.901 -7.467 1.00 0.00 H new ATOM 194 N ALA A 132 0.399 -10.154 -8.138 1.00 0.00 N ATOM 195 CA ALA A 132 1.193 -9.296 -7.266 1.00 0.00 C ATOM 196 C ALA A 132 0.289 -8.351 -6.489 1.00 0.00 C ATOM 197 O ALA A 132 0.495 -8.115 -5.296 1.00 0.00 O ATOM 198 CB ALA A 132 2.188 -8.485 -8.099 1.00 0.00 C ATOM 0 H ALA A 132 0.656 -10.115 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 132 1.738 -9.924 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.778 -7.846 -7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 132 2.851 -9.163 -8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 132 1.645 -7.867 -8.814 1.00 0.00 H new ATOM 204 N ALA A 133 -0.723 -7.818 -7.167 1.00 0.00 N ATOM 205 CA ALA A 133 -1.664 -6.906 -6.524 1.00 0.00 C ATOM 206 C ALA A 133 -2.452 -7.640 -5.442 1.00 0.00 C ATOM 207 O ALA A 133 -2.633 -7.129 -4.338 1.00 0.00 O ATOM 208 CB ALA A 133 -2.630 -6.333 -7.562 1.00 0.00 C ATOM 0 H ALA A 133 -0.912 -7.999 -8.153 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.103 -6.091 -6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.328 -5.654 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -2.068 -5.790 -8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.183 -7.146 -8.032 1.00 0.00 H new ATOM 214 N PHE A 134 -2.920 -8.839 -5.768 1.00 0.00 N ATOM 215 CA PHE A 134 -3.685 -9.637 -4.818 1.00 0.00 C ATOM 216 C PHE A 134 -2.878 -9.852 -3.543 1.00 0.00 C ATOM 217 O PHE A 134 -3.409 -9.755 -2.436 1.00 0.00 O ATOM 218 CB PHE A 134 -4.042 -10.989 -5.438 1.00 0.00 C ATOM 219 CG PHE A 134 -5.064 -11.687 -4.570 1.00 0.00 C ATOM 220 CD1 PHE A 134 -6.411 -11.303 -4.637 1.00 0.00 C ATOM 221 CD2 PHE A 134 -4.670 -12.714 -3.706 1.00 0.00 C ATOM 222 CE1 PHE A 134 -7.361 -11.948 -3.839 1.00 0.00 C ATOM 223 CE2 PHE A 134 -5.622 -13.357 -2.907 1.00 0.00 C ATOM 224 CZ PHE A 134 -6.968 -12.975 -2.972 1.00 0.00 C ATOM 0 H PHE A 134 -2.784 -9.278 -6.678 1.00 0.00 H new ATOM 0 HA PHE A 134 -4.603 -9.103 -4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.439 -10.847 -6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.148 -11.605 -5.533 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -6.714 -10.510 -5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -3.633 -13.010 -3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -8.399 -11.654 -3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -5.318 -14.149 -2.239 1.00 0.00 H new ATOM 0 HZ PHE A 134 -7.702 -13.472 -2.354 1.00 0.00 H new ATOM 234 N GLU A 135 -1.592 -10.144 -3.706 1.00 0.00 N ATOM 235 CA GLU A 135 -0.721 -10.373 -2.559 1.00 0.00 C ATOM 236 C GLU A 135 -0.719 -9.150 -1.644 1.00 0.00 C ATOM 237 O GLU A 135 -0.752 -9.281 -0.419 1.00 0.00 O ATOM 238 CB GLU A 135 0.707 -10.652 -3.036 1.00 0.00 C ATOM 239 CG GLU A 135 1.550 -11.153 -1.862 1.00 0.00 C ATOM 240 CD GLU A 135 1.105 -12.560 -1.471 1.00 0.00 C ATOM 241 OE1 GLU A 135 0.300 -13.129 -2.188 1.00 0.00 O ATOM 242 OE2 GLU A 135 1.577 -13.046 -0.454 1.00 0.00 O ATOM 0 H GLU A 135 -1.133 -10.227 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.095 -11.234 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.696 -11.395 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.146 -9.745 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.605 -11.158 -2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.444 -10.479 -1.012 1.00 0.00 H new ATOM 249 N GLU A 136 -0.693 -7.966 -2.245 1.00 0.00 N ATOM 250 CA GLU A 136 -0.695 -6.729 -1.478 1.00 0.00 C ATOM 251 C GLU A 136 -2.058 -6.501 -0.835 1.00 0.00 C ATOM 252 O GLU A 136 -2.160 -5.935 0.254 1.00 0.00 O ATOM 253 CB GLU A 136 -0.353 -5.546 -2.386 1.00 0.00 C ATOM 254 CG GLU A 136 1.105 -5.650 -2.833 1.00 0.00 C ATOM 255 CD GLU A 136 1.428 -4.539 -3.825 1.00 0.00 C ATOM 256 OE1 GLU A 136 0.574 -3.695 -4.038 1.00 0.00 O ATOM 257 OE2 GLU A 136 2.525 -4.546 -4.358 1.00 0.00 O ATOM 0 H GLU A 136 -0.670 -7.838 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 136 0.057 -6.811 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -1.011 -5.539 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -0.516 -4.608 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 136 1.765 -5.579 -1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 136 1.284 -6.622 -3.292 1.00 0.00 H new ATOM 264 N PHE A 137 -3.108 -6.951 -1.518 1.00 0.00 N ATOM 265 CA PHE A 137 -4.467 -6.790 -1.012 1.00 0.00 C ATOM 266 C PHE A 137 -4.897 -8.034 -0.248 1.00 0.00 C ATOM 267 O PHE A 137 -6.024 -8.112 0.248 1.00 0.00 O ATOM 268 CB PHE A 137 -5.432 -6.539 -2.171 1.00 0.00 C ATOM 269 CG PHE A 137 -5.255 -5.126 -2.680 1.00 0.00 C ATOM 270 CD1 PHE A 137 -5.601 -4.042 -1.864 1.00 0.00 C ATOM 271 CD2 PHE A 137 -4.743 -4.902 -3.963 1.00 0.00 C ATOM 272 CE1 PHE A 137 -5.435 -2.734 -2.335 1.00 0.00 C ATOM 273 CE2 PHE A 137 -4.580 -3.596 -4.433 1.00 0.00 C ATOM 274 CZ PHE A 137 -4.926 -2.511 -3.619 1.00 0.00 C ATOM 0 H PHE A 137 -3.044 -7.427 -2.418 1.00 0.00 H new ATOM 0 HA PHE A 137 -4.487 -5.935 -0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 137 -5.245 -7.252 -2.974 1.00 0.00 H new ATOM 0 HB3 PHE A 137 -6.460 -6.692 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 137 -5.995 -4.215 -0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 137 -4.474 -5.739 -4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -5.700 -1.897 -1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -4.187 -3.424 -5.424 1.00 0.00 H new ATOM 0 HZ PHE A 137 -4.800 -1.502 -3.982 1.00 0.00 H new ATOM 284 N ASP A 138 -3.996 -9.008 -0.151 1.00 0.00 N ATOM 285 CA ASP A 138 -4.296 -10.245 0.561 1.00 0.00 C ATOM 286 C ASP A 138 -3.030 -10.815 1.191 1.00 0.00 C ATOM 287 O ASP A 138 -2.555 -11.881 0.798 1.00 0.00 O ATOM 288 CB ASP A 138 -4.895 -11.268 -0.405 1.00 0.00 C ATOM 289 CG ASP A 138 -5.404 -12.480 0.368 1.00 0.00 C ATOM 290 OD1 ASP A 138 -5.059 -12.602 1.531 1.00 0.00 O ATOM 291 OD2 ASP A 138 -6.133 -13.266 -0.213 1.00 0.00 O ATOM 0 H ASP A 138 -3.060 -8.965 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 138 -5.016 -10.028 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -5.712 -10.815 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -4.143 -11.579 -1.131 1.00 0.00 H new ATOM 296 N THR A 139 -2.491 -10.101 2.175 1.00 0.00 N ATOM 297 CA THR A 139 -1.282 -10.547 2.858 1.00 0.00 C ATOM 298 C THR A 139 -1.541 -11.837 3.626 1.00 0.00 C ATOM 299 O THR A 139 -0.706 -12.741 3.640 1.00 0.00 O ATOM 300 CB THR A 139 -0.799 -9.462 3.821 1.00 0.00 C ATOM 301 OG1 THR A 139 -1.894 -9.011 4.609 1.00 0.00 O ATOM 302 CG2 THR A 139 -0.217 -8.292 3.032 1.00 0.00 C ATOM 0 H THR A 139 -2.870 -9.217 2.515 1.00 0.00 H new ATOM 0 HA THR A 139 -0.513 -10.737 2.109 1.00 0.00 H new ATOM 0 HB THR A 139 -0.026 -9.872 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 139 -1.587 -8.317 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 139 0.126 -7.522 3.723 1.00 0.00 H new ATOM 0 HG22 THR A 139 0.623 -8.640 2.431 1.00 0.00 H new ATOM 0 HG23 THR A 139 -0.984 -7.877 2.378 1.00 0.00 H new ATOM 310 N ASP A 140 -2.706 -11.918 4.258 1.00 0.00 N ATOM 311 CA ASP A 140 -3.071 -13.105 5.025 1.00 0.00 C ATOM 312 C ASP A 140 -3.252 -14.307 4.102 1.00 0.00 C ATOM 313 O ASP A 140 -3.155 -15.453 4.534 1.00 0.00 O ATOM 314 CB ASP A 140 -4.362 -12.853 5.801 1.00 0.00 C ATOM 315 CG ASP A 140 -5.445 -12.340 4.856 1.00 0.00 C ATOM 316 OD1 ASP A 140 -5.096 -11.887 3.779 1.00 0.00 O ATOM 317 OD2 ASP A 140 -6.604 -12.404 5.226 1.00 0.00 O ATOM 0 H ASP A 140 -3.411 -11.181 4.255 1.00 0.00 H new ATOM 0 HA ASP A 140 -2.265 -13.320 5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.693 -13.774 6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -4.184 -12.126 6.593 1.00 0.00 H new ATOM 322 N GLN A 141 -3.523 -14.033 2.830 1.00 0.00 N ATOM 323 CA GLN A 141 -3.717 -15.098 1.854 1.00 0.00 C ATOM 324 C GLN A 141 -4.803 -16.062 2.320 1.00 0.00 C ATOM 325 O GLN A 141 -4.563 -17.259 2.468 1.00 0.00 O ATOM 326 CB GLN A 141 -2.406 -15.867 1.655 1.00 0.00 C ATOM 327 CG GLN A 141 -1.376 -14.954 0.989 1.00 0.00 C ATOM 328 CD GLN A 141 -0.034 -15.671 0.886 1.00 0.00 C ATOM 329 OE1 GLN A 141 0.390 -16.335 1.834 1.00 0.00 O ATOM 330 NE2 GLN A 141 0.665 -15.575 -0.210 1.00 0.00 N ATOM 0 H GLN A 141 -3.613 -13.089 2.453 1.00 0.00 H new ATOM 0 HA GLN A 141 -4.025 -14.648 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -2.029 -16.219 2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -2.579 -16.749 1.038 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -1.721 -14.666 -0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -1.264 -14.036 1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 141 0.312 -15.025 -0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 141 1.565 -16.050 -0.284 1.00 0.00 H new ATOM 339 N ASP A 142 -5.998 -15.529 2.551 1.00 0.00 N ATOM 340 CA ASP A 142 -7.118 -16.351 2.998 1.00 0.00 C ATOM 341 C ASP A 142 -7.746 -17.083 1.819 1.00 0.00 C ATOM 342 O ASP A 142 -8.633 -17.920 1.993 1.00 0.00 O ATOM 343 CB ASP A 142 -8.171 -15.477 3.678 1.00 0.00 C ATOM 344 CG ASP A 142 -7.645 -14.978 5.020 1.00 0.00 C ATOM 345 OD1 ASP A 142 -6.656 -15.521 5.483 1.00 0.00 O ATOM 346 OD2 ASP A 142 -8.243 -14.067 5.567 1.00 0.00 O ATOM 0 H ASP A 142 -6.216 -14.539 2.437 1.00 0.00 H new ATOM 0 HA ASP A 142 -6.743 -17.086 3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -8.422 -14.631 3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -9.088 -16.047 3.826 1.00 0.00 H new ATOM 351 N GLY A 143 -7.283 -16.764 0.612 1.00 0.00 N ATOM 352 CA GLY A 143 -7.810 -17.399 -0.591 1.00 0.00 C ATOM 353 C GLY A 143 -8.891 -16.535 -1.233 1.00 0.00 C ATOM 354 O GLY A 143 -9.350 -16.821 -2.340 1.00 0.00 O ATOM 0 H GLY A 143 -6.550 -16.075 0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -7.002 -17.566 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.221 -18.377 -0.341 1.00 0.00 H new ATOM 358 N TYR A 144 -9.295 -15.482 -0.530 1.00 0.00 N ATOM 359 CA TYR A 144 -10.325 -14.588 -1.041 1.00 0.00 C ATOM 360 C TYR A 144 -10.349 -13.294 -0.243 1.00 0.00 C ATOM 361 O TYR A 144 -10.028 -13.281 0.946 1.00 0.00 O ATOM 362 CB TYR A 144 -11.701 -15.271 -0.964 1.00 0.00 C ATOM 363 CG TYR A 144 -11.583 -16.564 -0.192 1.00 0.00 C ATOM 364 CD1 TYR A 144 -11.548 -16.541 1.208 1.00 0.00 C ATOM 365 CD2 TYR A 144 -11.501 -17.781 -0.875 1.00 0.00 C ATOM 366 CE1 TYR A 144 -11.431 -17.739 1.923 1.00 0.00 C ATOM 367 CE2 TYR A 144 -11.386 -18.978 -0.161 1.00 0.00 C ATOM 368 CZ TYR A 144 -11.355 -18.958 1.240 1.00 0.00 C ATOM 369 OH TYR A 144 -11.243 -20.139 1.944 1.00 0.00 O ATOM 0 H TYR A 144 -8.928 -15.229 0.387 1.00 0.00 H new ATOM 0 HA TYR A 144 -10.097 -14.356 -2.081 1.00 0.00 H new ATOM 0 HB2 TYR A 144 -12.419 -14.610 -0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 144 -12.077 -15.468 -1.968 1.00 0.00 H new ATOM 0 HD1 TYR A 144 -11.611 -15.601 1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 144 -11.526 -17.797 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 144 -11.399 -17.722 3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 144 -11.321 -19.918 -0.689 1.00 0.00 H new ATOM 0 HH TYR A 144 -11.203 -20.891 1.317 1.00 0.00 H new ATOM 379 N ILE A 145 -10.751 -12.206 -0.896 1.00 0.00 N ATOM 380 CA ILE A 145 -10.830 -10.908 -0.232 1.00 0.00 C ATOM 381 C ILE A 145 -12.271 -10.417 -0.181 1.00 0.00 C ATOM 382 O ILE A 145 -13.189 -11.108 -0.625 1.00 0.00 O ATOM 383 CB ILE A 145 -9.963 -9.893 -0.978 1.00 0.00 C ATOM 384 CG1 ILE A 145 -10.438 -9.787 -2.428 1.00 0.00 C ATOM 385 CG2 ILE A 145 -8.503 -10.341 -0.949 1.00 0.00 C ATOM 386 CD1 ILE A 145 -9.591 -8.750 -3.169 1.00 0.00 C ATOM 0 H ILE A 145 -11.025 -12.197 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 145 -10.465 -11.017 0.789 1.00 0.00 H new ATOM 0 HB ILE A 145 -10.049 -8.920 -0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 145 -10.357 -10.756 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 145 -11.489 -9.501 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 145 -7.889 -9.615 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 145 -8.165 -10.413 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 145 -8.412 -11.315 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 145 -9.930 -8.675 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 145 -9.694 -7.780 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 145 -8.545 -9.055 -3.152 1.00 0.00 H new ATOM 398 N GLY A 146 -12.463 -9.222 0.362 1.00 0.00 N ATOM 399 CA GLY A 146 -13.798 -8.647 0.468 1.00 0.00 C ATOM 400 C GLY A 146 -14.348 -8.295 -0.905 1.00 0.00 C ATOM 401 O GLY A 146 -14.178 -9.046 -1.866 1.00 0.00 O ATOM 0 H GLY A 146 -11.716 -8.635 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -14.465 -9.354 0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -13.765 -7.753 1.091 1.00 0.00 H new ATOM 405 N TYR A 147 -15.006 -7.141 -0.999 1.00 0.00 N ATOM 406 CA TYR A 147 -15.575 -6.693 -2.267 1.00 0.00 C ATOM 407 C TYR A 147 -15.251 -5.219 -2.510 1.00 0.00 C ATOM 408 O TYR A 147 -15.060 -4.800 -3.648 1.00 0.00 O ATOM 409 CB TYR A 147 -17.094 -6.900 -2.260 1.00 0.00 C ATOM 410 CG TYR A 147 -17.497 -7.772 -3.431 1.00 0.00 C ATOM 411 CD1 TYR A 147 -17.416 -7.262 -4.731 1.00 0.00 C ATOM 412 CD2 TYR A 147 -17.935 -9.079 -3.212 1.00 0.00 C ATOM 413 CE1 TYR A 147 -17.781 -8.065 -5.818 1.00 0.00 C ATOM 414 CE2 TYR A 147 -18.300 -9.882 -4.296 1.00 0.00 C ATOM 415 CZ TYR A 147 -18.226 -9.376 -5.599 1.00 0.00 C ATOM 416 OH TYR A 147 -18.588 -10.169 -6.669 1.00 0.00 O ATOM 0 H TYR A 147 -15.157 -6.503 -0.217 1.00 0.00 H new ATOM 0 HA TYR A 147 -15.136 -7.282 -3.072 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -17.403 -7.366 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -17.602 -5.937 -2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -17.073 -6.251 -4.896 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -17.992 -9.469 -2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -17.720 -7.675 -6.823 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -18.639 -10.893 -4.128 1.00 0.00 H new ATOM 0 HH TYR A 147 -19.537 -10.031 -6.872 1.00 0.00 H new ATOM 426 N ARG A 148 -15.206 -4.448 -1.431 1.00 0.00 N ATOM 427 CA ARG A 148 -14.914 -3.023 -1.539 1.00 0.00 C ATOM 428 C ARG A 148 -13.501 -2.815 -2.077 1.00 0.00 C ATOM 429 O ARG A 148 -13.259 -1.909 -2.872 1.00 0.00 O ATOM 430 CB ARG A 148 -15.046 -2.358 -0.167 1.00 0.00 C ATOM 431 CG ARG A 148 -16.522 -2.288 0.225 1.00 0.00 C ATOM 432 CD ARG A 148 -16.651 -1.694 1.629 1.00 0.00 C ATOM 433 NE ARG A 148 -16.146 -2.636 2.621 1.00 0.00 N ATOM 434 CZ ARG A 148 -16.124 -2.326 3.913 1.00 0.00 C ATOM 435 NH1 ARG A 148 -16.562 -1.163 4.314 1.00 0.00 N ATOM 436 NH2 ARG A 148 -15.670 -3.186 4.784 1.00 0.00 N ATOM 0 H ARG A 148 -15.366 -4.780 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 148 -15.627 -2.570 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -14.487 -2.924 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -14.618 -1.356 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -17.071 -1.677 -0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -16.964 -3.284 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -16.095 -0.758 1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -17.695 -1.459 1.838 1.00 0.00 H new ATOM 0 HE ARG A 148 -15.804 -3.548 2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -16.921 -0.492 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -16.545 -0.926 5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -15.332 -4.097 4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -15.653 -2.947 5.776 1.00 0.00 H new ATOM 450 N GLU A 149 -12.574 -3.659 -1.638 1.00 0.00 N ATOM 451 CA GLU A 149 -11.191 -3.561 -2.084 1.00 0.00 C ATOM 452 C GLU A 149 -11.084 -3.912 -3.565 1.00 0.00 C ATOM 453 O GLU A 149 -10.092 -3.596 -4.218 1.00 0.00 O ATOM 454 CB GLU A 149 -10.306 -4.501 -1.265 1.00 0.00 C ATOM 455 CG GLU A 149 -10.227 -4.000 0.178 1.00 0.00 C ATOM 456 CD GLU A 149 -9.438 -4.988 1.030 1.00 0.00 C ATOM 457 OE1 GLU A 149 -9.002 -5.990 0.489 1.00 0.00 O ATOM 458 OE2 GLU A 149 -9.285 -4.731 2.212 1.00 0.00 O ATOM 0 H GLU A 149 -12.754 -4.415 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 149 -10.853 -2.535 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -10.712 -5.512 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -9.308 -4.548 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -9.750 -3.021 0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -11.231 -3.877 0.585 1.00 0.00 H new ATOM 465 N LEU A 150 -12.111 -4.580 -4.084 1.00 0.00 N ATOM 466 CA LEU A 150 -12.108 -4.980 -5.486 1.00 0.00 C ATOM 467 C LEU A 150 -12.013 -3.750 -6.391 1.00 0.00 C ATOM 468 O LEU A 150 -11.209 -3.713 -7.319 1.00 0.00 O ATOM 469 CB LEU A 150 -13.400 -5.747 -5.799 1.00 0.00 C ATOM 470 CG LEU A 150 -13.151 -6.716 -6.963 1.00 0.00 C ATOM 471 CD1 LEU A 150 -14.414 -7.531 -7.230 1.00 0.00 C ATOM 472 CD2 LEU A 150 -12.768 -5.926 -8.217 1.00 0.00 C ATOM 0 H LEU A 150 -12.944 -4.852 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 150 -11.244 -5.619 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -13.731 -6.297 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -14.196 -5.049 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 150 -12.336 -7.392 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -14.235 -8.218 -8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -14.677 -8.098 -6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -15.233 -6.859 -7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -12.592 -6.616 -9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -13.578 -5.246 -8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -11.861 -5.353 -8.023 1.00 0.00 H new ATOM 484 N GLY A 151 -12.836 -2.744 -6.106 1.00 0.00 N ATOM 485 CA GLY A 151 -12.829 -1.520 -6.901 1.00 0.00 C ATOM 486 C GLY A 151 -11.483 -0.812 -6.795 1.00 0.00 C ATOM 487 O GLY A 151 -10.920 -0.381 -7.802 1.00 0.00 O ATOM 0 H GLY A 151 -13.509 -2.751 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -13.039 -1.757 -7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -13.622 -0.855 -6.560 1.00 0.00 H new ATOM 491 N ASP A 152 -10.981 -0.690 -5.574 1.00 0.00 N ATOM 492 CA ASP A 152 -9.699 -0.029 -5.348 1.00 0.00 C ATOM 493 C ASP A 152 -8.579 -0.779 -6.059 1.00 0.00 C ATOM 494 O ASP A 152 -7.684 -0.171 -6.647 1.00 0.00 O ATOM 495 CB ASP A 152 -9.401 0.037 -3.849 1.00 0.00 C ATOM 496 CG ASP A 152 -8.056 0.714 -3.616 1.00 0.00 C ATOM 497 OD1 ASP A 152 -7.426 1.089 -4.592 1.00 0.00 O ATOM 498 OD2 ASP A 152 -7.677 0.855 -2.464 1.00 0.00 O ATOM 0 H ASP A 152 -11.436 -1.036 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 152 -9.757 0.982 -5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -10.189 0.589 -3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -9.390 -0.968 -3.427 1.00 0.00 H new ATOM 503 N CYS A 153 -8.632 -2.108 -6.000 1.00 0.00 N ATOM 504 CA CYS A 153 -7.612 -2.931 -6.640 1.00 0.00 C ATOM 505 C CYS A 153 -7.642 -2.739 -8.153 1.00 0.00 C ATOM 506 O CYS A 153 -6.598 -2.623 -8.794 1.00 0.00 O ATOM 507 CB CYS A 153 -7.849 -4.406 -6.309 1.00 0.00 C ATOM 508 SG CYS A 153 -7.635 -4.666 -4.529 1.00 0.00 S ATOM 0 H CYS A 153 -9.363 -2.633 -5.520 1.00 0.00 H new ATOM 0 HA CYS A 153 -6.636 -2.625 -6.264 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -8.853 -4.701 -6.613 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -7.151 -5.032 -6.865 1.00 0.00 H new ATOM 0 HG CYS A 153 -6.372 -4.593 -4.229 1.00 0.00 H new ATOM 514 N MET A 154 -8.845 -2.703 -8.717 1.00 0.00 N ATOM 515 CA MET A 154 -8.996 -2.523 -10.155 1.00 0.00 C ATOM 516 C MET A 154 -8.443 -1.167 -10.585 1.00 0.00 C ATOM 517 O MET A 154 -7.780 -1.056 -11.613 1.00 0.00 O ATOM 518 CB MET A 154 -10.474 -2.621 -10.542 1.00 0.00 C ATOM 519 CG MET A 154 -10.616 -2.495 -12.060 1.00 0.00 C ATOM 520 SD MET A 154 -12.347 -2.740 -12.527 1.00 0.00 S ATOM 521 CE MET A 154 -12.140 -2.479 -14.307 1.00 0.00 C ATOM 0 H MET A 154 -9.722 -2.795 -8.205 1.00 0.00 H new ATOM 0 HA MET A 154 -8.436 -3.309 -10.662 1.00 0.00 H new ATOM 0 HB2 MET A 154 -10.886 -3.572 -10.206 1.00 0.00 H new ATOM 0 HB3 MET A 154 -11.043 -1.834 -10.047 1.00 0.00 H new ATOM 0 HG2 MET A 154 -10.276 -1.513 -12.387 1.00 0.00 H new ATOM 0 HG3 MET A 154 -9.986 -3.233 -12.557 1.00 0.00 H new ATOM 0 HE1 MET A 154 -13.104 -2.585 -14.805 1.00 0.00 H new ATOM 0 HE2 MET A 154 -11.748 -1.477 -14.485 1.00 0.00 H new ATOM 0 HE3 MET A 154 -11.443 -3.217 -14.704 1.00 0.00 H new ATOM 531 N ARG A 155 -8.725 -0.139 -9.791 1.00 0.00 N ATOM 532 CA ARG A 155 -8.252 1.203 -10.098 1.00 0.00 C ATOM 533 C ARG A 155 -6.729 1.262 -10.039 1.00 0.00 C ATOM 534 O ARG A 155 -6.088 1.887 -10.885 1.00 0.00 O ATOM 535 CB ARG A 155 -8.845 2.207 -9.106 1.00 0.00 C ATOM 536 CG ARG A 155 -8.413 3.624 -9.492 1.00 0.00 C ATOM 537 CD ARG A 155 -9.049 4.630 -8.529 1.00 0.00 C ATOM 538 NE ARG A 155 -8.748 5.992 -8.956 1.00 0.00 N ATOM 539 CZ ARG A 155 -9.512 6.619 -9.845 1.00 0.00 C ATOM 540 NH1 ARG A 155 -10.552 6.014 -10.352 1.00 0.00 N ATOM 541 NH2 ARG A 155 -9.222 7.837 -10.210 1.00 0.00 N ATOM 0 H ARG A 155 -9.276 -0.210 -8.935 1.00 0.00 H new ATOM 0 HA ARG A 155 -8.574 1.459 -11.107 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -9.933 2.135 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -8.510 1.976 -8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -7.327 3.707 -9.457 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -8.716 3.842 -10.516 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -10.128 4.481 -8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -8.673 4.466 -7.519 1.00 0.00 H new ATOM 0 HE ARG A 155 -7.937 6.472 -8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -10.778 5.061 -10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -11.139 6.494 -11.034 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -8.409 8.308 -9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -9.808 8.318 -10.892 1.00 0.00 H new ATOM 555 N THR A 156 -6.158 0.611 -9.033 1.00 0.00 N ATOM 556 CA THR A 156 -4.713 0.595 -8.869 1.00 0.00 C ATOM 557 C THR A 156 -4.037 -0.040 -10.078 1.00 0.00 C ATOM 558 O THR A 156 -2.810 -0.100 -10.162 1.00 0.00 O ATOM 559 CB THR A 156 -4.332 -0.174 -7.603 1.00 0.00 C ATOM 560 OG1 THR A 156 -4.900 0.468 -6.470 1.00 0.00 O ATOM 561 CG2 THR A 156 -2.810 -0.213 -7.459 1.00 0.00 C ATOM 0 H THR A 156 -6.672 0.090 -8.322 1.00 0.00 H new ATOM 0 HA THR A 156 -4.372 1.626 -8.780 1.00 0.00 H new ATOM 0 HB THR A 156 -4.712 -1.193 -7.673 1.00 0.00 H new ATOM 0 HG1 THR A 156 -5.865 0.298 -6.447 1.00 0.00 H new ATOM 0 HG21 THR A 156 -2.544 -0.762 -6.556 1.00 0.00 H new ATOM 0 HG22 THR A 156 -2.375 -0.709 -8.327 1.00 0.00 H new ATOM 0 HG23 THR A 156 -2.425 0.804 -7.392 1.00 0.00 H new ATOM 569 N LEU A 157 -4.847 -0.507 -11.017 1.00 0.00 N ATOM 570 CA LEU A 157 -4.317 -1.138 -12.226 1.00 0.00 C ATOM 571 C LEU A 157 -5.440 -1.410 -13.218 1.00 0.00 C ATOM 572 O LEU A 157 -5.521 -2.491 -13.806 1.00 0.00 O ATOM 573 CB LEU A 157 -3.629 -2.456 -11.865 1.00 0.00 C ATOM 574 CG LEU A 157 -4.584 -3.334 -11.041 1.00 0.00 C ATOM 575 CD1 LEU A 157 -4.773 -4.687 -11.734 1.00 0.00 C ATOM 576 CD2 LEU A 157 -3.997 -3.561 -9.642 1.00 0.00 C ATOM 0 H LEU A 157 -5.865 -0.464 -10.970 1.00 0.00 H new ATOM 0 HA LEU A 157 -3.595 -0.461 -12.683 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -3.330 -2.981 -12.772 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -2.720 -2.258 -11.296 1.00 0.00 H new ATOM 0 HG LEU A 157 -5.547 -2.831 -10.957 1.00 0.00 H new ATOM 0 HD11 LEU A 157 -5.451 -5.306 -11.146 1.00 0.00 H new ATOM 0 HD12 LEU A 157 -5.194 -4.531 -12.727 1.00 0.00 H new ATOM 0 HD13 LEU A 157 -3.809 -5.188 -11.823 1.00 0.00 H new ATOM 0 HD21 LEU A 157 -4.676 -4.184 -9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 157 -3.032 -4.059 -9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 157 -3.866 -2.601 -9.142 1.00 0.00 H new ATOM 588 N GLY A 158 -6.313 -0.425 -13.402 1.00 0.00 N ATOM 589 CA GLY A 158 -7.432 -0.566 -14.329 1.00 0.00 C ATOM 590 C GLY A 158 -7.063 -0.039 -15.705 1.00 0.00 C ATOM 591 O GLY A 158 -6.013 0.581 -15.887 1.00 0.00 O ATOM 0 H GLY A 158 -6.269 0.475 -12.925 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -7.720 -1.615 -14.402 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -8.297 -0.024 -13.947 1.00 0.00 H new ATOM 595 N TYR A 159 -7.929 -0.288 -16.685 1.00 0.00 N ATOM 596 CA TYR A 159 -7.681 0.166 -18.050 1.00 0.00 C ATOM 597 C TYR A 159 -8.553 1.372 -18.380 1.00 0.00 C ATOM 598 O TYR A 159 -9.132 1.451 -19.461 1.00 0.00 O ATOM 599 CB TYR A 159 -7.974 -0.967 -19.037 1.00 0.00 C ATOM 600 CG TYR A 159 -7.579 -0.532 -20.429 1.00 0.00 C ATOM 601 CD1 TYR A 159 -6.224 -0.436 -20.772 1.00 0.00 C ATOM 602 CD2 TYR A 159 -8.564 -0.230 -21.378 1.00 0.00 C ATOM 603 CE1 TYR A 159 -5.855 -0.037 -22.062 1.00 0.00 C ATOM 604 CE2 TYR A 159 -8.195 0.168 -22.667 1.00 0.00 C ATOM 605 CZ TYR A 159 -6.840 0.266 -23.010 1.00 0.00 C ATOM 606 OH TYR A 159 -6.478 0.661 -24.281 1.00 0.00 O ATOM 0 H TYR A 159 -8.803 -0.798 -16.560 1.00 0.00 H new ATOM 0 HA TYR A 159 -6.634 0.458 -18.133 1.00 0.00 H new ATOM 0 HB2 TYR A 159 -7.422 -1.863 -18.754 1.00 0.00 H new ATOM 0 HB3 TYR A 159 -9.033 -1.223 -19.010 1.00 0.00 H new ATOM 0 HD1 TYR A 159 -5.464 -0.670 -20.041 1.00 0.00 H new ATOM 0 HD2 TYR A 159 -9.609 -0.305 -21.114 1.00 0.00 H new ATOM 0 HE1 TYR A 159 -4.810 0.037 -22.326 1.00 0.00 H new ATOM 0 HE2 TYR A 159 -8.955 0.400 -23.398 1.00 0.00 H new ATOM 0 HH TYR A 159 -7.284 0.831 -24.812 1.00 0.00 H new ATOM 616 N MET A 160 -8.641 2.307 -17.440 1.00 0.00 N ATOM 617 CA MET A 160 -9.444 3.507 -17.644 1.00 0.00 C ATOM 618 C MET A 160 -10.914 3.143 -17.817 1.00 0.00 C ATOM 619 O MET A 160 -11.485 3.318 -18.893 1.00 0.00 O ATOM 620 CB MET A 160 -8.953 4.261 -18.881 1.00 0.00 C ATOM 621 CG MET A 160 -9.524 5.681 -18.873 1.00 0.00 C ATOM 622 SD MET A 160 -9.045 6.531 -20.395 1.00 0.00 S ATOM 623 CE MET A 160 -9.503 8.204 -19.875 1.00 0.00 C ATOM 0 H MET A 160 -8.170 2.258 -16.536 1.00 0.00 H new ATOM 0 HA MET A 160 -9.340 4.145 -16.766 1.00 0.00 H new ATOM 0 HB2 MET A 160 -7.864 4.296 -18.890 1.00 0.00 H new ATOM 0 HB3 MET A 160 -9.263 3.738 -19.786 1.00 0.00 H new ATOM 0 HG2 MET A 160 -10.610 5.647 -18.789 1.00 0.00 H new ATOM 0 HG3 MET A 160 -9.154 6.228 -18.006 1.00 0.00 H new ATOM 0 HE1 MET A 160 -9.288 8.907 -20.680 1.00 0.00 H new ATOM 0 HE2 MET A 160 -10.567 8.234 -19.642 1.00 0.00 H new ATOM 0 HE3 MET A 160 -8.930 8.480 -18.990 1.00 0.00 H new ATOM 633 N PRO A 161 -11.532 2.645 -16.779 1.00 0.00 N ATOM 634 CA PRO A 161 -12.967 2.247 -16.808 1.00 0.00 C ATOM 635 C PRO A 161 -13.897 3.458 -16.834 1.00 0.00 C ATOM 636 O PRO A 161 -13.546 4.528 -16.341 1.00 0.00 O ATOM 637 CB PRO A 161 -13.145 1.435 -15.521 1.00 0.00 C ATOM 638 CG PRO A 161 -12.098 1.947 -14.588 1.00 0.00 C ATOM 639 CD PRO A 161 -10.925 2.408 -15.456 1.00 0.00 C ATOM 0 HA PRO A 161 -13.221 1.682 -17.705 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -14.143 1.570 -15.105 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -13.019 0.368 -15.708 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -12.483 2.772 -13.988 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -11.783 1.168 -13.894 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -10.467 3.314 -15.059 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -10.143 1.650 -15.506 1.00 0.00 H new ATOM 647 N THR A 162 -15.082 3.271 -17.403 1.00 0.00 N ATOM 648 CA THR A 162 -16.049 4.349 -17.478 1.00 0.00 C ATOM 649 C THR A 162 -16.193 5.045 -16.126 1.00 0.00 C ATOM 650 O THR A 162 -15.372 5.882 -15.761 1.00 0.00 O ATOM 651 CB THR A 162 -17.414 3.802 -17.919 1.00 0.00 C ATOM 652 OG1 THR A 162 -17.325 3.344 -19.262 1.00 0.00 O ATOM 653 CG2 THR A 162 -18.474 4.905 -17.828 1.00 0.00 C ATOM 0 H THR A 162 -15.391 2.390 -17.814 1.00 0.00 H new ATOM 0 HA THR A 162 -15.693 5.074 -18.210 1.00 0.00 H new ATOM 0 HB THR A 162 -17.698 2.978 -17.265 1.00 0.00 H new ATOM 0 HG1 THR A 162 -18.195 2.992 -19.546 1.00 0.00 H new ATOM 0 HG21 THR A 162 -19.439 4.509 -18.143 1.00 0.00 H new ATOM 0 HG22 THR A 162 -18.544 5.258 -16.799 1.00 0.00 H new ATOM 0 HG23 THR A 162 -18.193 5.734 -18.477 1.00 0.00 H new ATOM 661 N GLU A 163 -17.244 4.692 -15.391 1.00 0.00 N ATOM 662 CA GLU A 163 -17.483 5.291 -14.083 1.00 0.00 C ATOM 663 C GLU A 163 -18.648 4.605 -13.389 1.00 0.00 C ATOM 664 O GLU A 163 -18.696 4.528 -12.162 1.00 0.00 O ATOM 665 CB GLU A 163 -17.776 6.784 -14.236 1.00 0.00 C ATOM 666 CG GLU A 163 -17.935 7.416 -12.851 1.00 0.00 C ATOM 667 CD GLU A 163 -18.161 8.918 -12.989 1.00 0.00 C ATOM 668 OE1 GLU A 163 -17.932 9.436 -14.069 1.00 0.00 O ATOM 669 OE2 GLU A 163 -18.561 9.527 -12.011 1.00 0.00 O ATOM 0 H GLU A 163 -17.938 4.001 -15.676 1.00 0.00 H new ATOM 0 HA GLU A 163 -16.588 5.162 -13.474 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -16.966 7.271 -14.779 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -18.684 6.929 -14.821 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -18.775 6.960 -12.328 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -17.045 7.227 -12.251 1.00 0.00 H new ATOM 676 N MET A 164 -19.599 4.114 -14.179 1.00 0.00 N ATOM 677 CA MET A 164 -20.767 3.431 -13.627 1.00 0.00 C ATOM 678 C MET A 164 -20.654 1.924 -13.855 1.00 0.00 C ATOM 679 O MET A 164 -21.319 1.132 -13.186 1.00 0.00 O ATOM 680 CB MET A 164 -22.041 3.955 -14.281 1.00 0.00 C ATOM 681 CG MET A 164 -23.259 3.326 -13.601 1.00 0.00 C ATOM 682 SD MET A 164 -24.771 4.056 -14.276 1.00 0.00 S ATOM 683 CE MET A 164 -25.946 2.966 -13.436 1.00 0.00 C ATOM 0 H MET A 164 -19.585 4.175 -15.197 1.00 0.00 H new ATOM 0 HA MET A 164 -20.809 3.627 -12.556 1.00 0.00 H new ATOM 0 HB2 MET A 164 -22.085 5.041 -14.198 1.00 0.00 H new ATOM 0 HB3 MET A 164 -22.041 3.716 -15.345 1.00 0.00 H new ATOM 0 HG2 MET A 164 -23.261 2.248 -13.760 1.00 0.00 H new ATOM 0 HG3 MET A 164 -23.213 3.490 -12.524 1.00 0.00 H new ATOM 0 HE1 MET A 164 -26.963 3.244 -13.714 1.00 0.00 H new ATOM 0 HE2 MET A 164 -25.758 1.933 -13.730 1.00 0.00 H new ATOM 0 HE3 MET A 164 -25.826 3.064 -12.357 1.00 0.00 H new ATOM 693 N GLU A 165 -19.804 1.535 -14.802 1.00 0.00 N ATOM 694 CA GLU A 165 -19.615 0.122 -15.110 1.00 0.00 C ATOM 695 C GLU A 165 -19.056 -0.620 -13.899 1.00 0.00 C ATOM 696 O GLU A 165 -19.477 -1.736 -13.596 1.00 0.00 O ATOM 697 CB GLU A 165 -18.653 -0.029 -16.290 1.00 0.00 C ATOM 698 CG GLU A 165 -18.493 -1.512 -16.632 1.00 0.00 C ATOM 699 CD GLU A 165 -17.576 -1.672 -17.840 1.00 0.00 C ATOM 700 OE1 GLU A 165 -16.954 -0.693 -18.221 1.00 0.00 O ATOM 701 OE2 GLU A 165 -17.508 -2.771 -18.367 1.00 0.00 O ATOM 0 H GLU A 165 -19.240 2.173 -15.364 1.00 0.00 H new ATOM 0 HA GLU A 165 -20.582 -0.307 -15.371 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -19.033 0.515 -17.154 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -17.684 0.404 -16.041 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -18.080 -2.048 -15.778 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -19.467 -1.952 -16.844 1.00 0.00 H new ATOM 708 N LEU A 166 -18.115 0.006 -13.208 1.00 0.00 N ATOM 709 CA LEU A 166 -17.517 -0.594 -12.021 1.00 0.00 C ATOM 710 C LEU A 166 -18.552 -0.673 -10.891 1.00 0.00 C ATOM 711 O LEU A 166 -18.461 -1.528 -10.021 1.00 0.00 O ATOM 712 CB LEU A 166 -16.285 0.212 -11.591 1.00 0.00 C ATOM 713 CG LEU A 166 -16.691 1.285 -10.571 1.00 0.00 C ATOM 714 CD1 LEU A 166 -15.455 1.861 -9.908 1.00 0.00 C ATOM 715 CD2 LEU A 166 -17.466 2.392 -11.290 1.00 0.00 C ATOM 0 H LEU A 166 -17.748 0.927 -13.447 1.00 0.00 H new ATOM 0 HA LEU A 166 -17.195 -1.609 -12.253 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -15.539 -0.453 -11.155 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -15.825 0.681 -12.461 1.00 0.00 H new ATOM 0 HG LEU A 166 -17.323 0.840 -9.803 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -15.751 2.622 -9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -14.913 1.066 -9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -14.812 2.310 -10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -17.758 3.158 -10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -16.835 2.838 -12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -18.358 1.970 -11.753 1.00 0.00 H new ATOM 727 N LEU A 167 -19.476 0.291 -10.877 1.00 0.00 N ATOM 728 CA LEU A 167 -20.473 0.353 -9.825 1.00 0.00 C ATOM 729 C LEU A 167 -21.324 -0.921 -9.863 1.00 0.00 C ATOM 730 O LEU A 167 -21.680 -1.471 -8.825 1.00 0.00 O ATOM 731 CB LEU A 167 -21.371 1.577 -10.031 1.00 0.00 C ATOM 732 CG LEU A 167 -21.840 2.098 -8.665 1.00 0.00 C ATOM 733 CD1 LEU A 167 -22.521 0.964 -7.890 1.00 0.00 C ATOM 734 CD2 LEU A 167 -20.622 2.608 -7.869 1.00 0.00 C ATOM 0 H LEU A 167 -19.548 1.029 -11.578 1.00 0.00 H new ATOM 0 HA LEU A 167 -19.976 0.435 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -20.826 2.357 -10.563 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -22.231 1.312 -10.647 1.00 0.00 H new ATOM 0 HG LEU A 167 -22.549 2.913 -8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -22.854 1.335 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -23.380 0.602 -8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -21.814 0.148 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -20.951 2.979 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -19.914 1.792 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -20.139 3.414 -8.421 1.00 0.00 H new ATOM 746 N GLU A 168 -21.649 -1.374 -11.066 1.00 0.00 N ATOM 747 CA GLU A 168 -22.460 -2.571 -11.226 1.00 0.00 C ATOM 748 C GLU A 168 -21.738 -3.785 -10.643 1.00 0.00 C ATOM 749 O GLU A 168 -22.370 -4.742 -10.198 1.00 0.00 O ATOM 750 CB GLU A 168 -22.751 -2.816 -12.710 1.00 0.00 C ATOM 751 CG GLU A 168 -23.677 -1.714 -13.234 1.00 0.00 C ATOM 752 CD GLU A 168 -23.924 -1.909 -14.725 1.00 0.00 C ATOM 753 OE1 GLU A 168 -23.414 -2.873 -15.269 1.00 0.00 O ATOM 754 OE2 GLU A 168 -24.623 -1.090 -15.302 1.00 0.00 O ATOM 0 H GLU A 168 -21.365 -0.933 -11.941 1.00 0.00 H new ATOM 0 HA GLU A 168 -23.399 -2.424 -10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -21.821 -2.825 -13.278 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -23.217 -3.792 -12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -24.624 -1.735 -12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -23.230 -0.736 -13.055 1.00 0.00 H new ATOM 761 N VAL A 169 -20.414 -3.742 -10.663 1.00 0.00 N ATOM 762 CA VAL A 169 -19.608 -4.833 -10.134 1.00 0.00 C ATOM 763 C VAL A 169 -19.645 -4.847 -8.609 1.00 0.00 C ATOM 764 O VAL A 169 -19.696 -5.905 -7.985 1.00 0.00 O ATOM 765 CB VAL A 169 -18.166 -4.711 -10.620 1.00 0.00 C ATOM 766 CG1 VAL A 169 -17.308 -5.798 -9.967 1.00 0.00 C ATOM 767 CG2 VAL A 169 -18.124 -4.876 -12.140 1.00 0.00 C ATOM 0 H VAL A 169 -19.874 -2.963 -11.040 1.00 0.00 H new ATOM 0 HA VAL A 169 -20.027 -5.771 -10.498 1.00 0.00 H new ATOM 0 HB VAL A 169 -17.776 -3.730 -10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -16.279 -5.708 -10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -17.335 -5.681 -8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -17.698 -6.780 -10.236 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -17.094 -4.789 -12.487 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -18.516 -5.856 -12.411 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -18.731 -4.101 -12.607 1.00 0.00 H new ATOM 777 N SER A 170 -19.597 -3.659 -8.017 1.00 0.00 N ATOM 778 CA SER A 170 -19.602 -3.545 -6.564 1.00 0.00 C ATOM 779 C SER A 170 -20.842 -4.201 -5.974 1.00 0.00 C ATOM 780 O SER A 170 -20.766 -4.879 -4.948 1.00 0.00 O ATOM 781 CB SER A 170 -19.565 -2.068 -6.157 1.00 0.00 C ATOM 782 OG SER A 170 -18.310 -1.510 -6.522 1.00 0.00 O ATOM 0 H SER A 170 -19.555 -2.770 -8.515 1.00 0.00 H new ATOM 0 HA SER A 170 -18.719 -4.055 -6.179 1.00 0.00 H new ATOM 0 HB2 SER A 170 -20.373 -1.524 -6.646 1.00 0.00 H new ATOM 0 HB3 SER A 170 -19.720 -1.971 -5.082 1.00 0.00 H new ATOM 0 HG SER A 170 -18.285 -0.565 -6.264 1.00 0.00 H new ATOM 788 N GLN A 171 -21.979 -4.003 -6.627 1.00 0.00 N ATOM 789 CA GLN A 171 -23.233 -4.581 -6.157 1.00 0.00 C ATOM 790 C GLN A 171 -23.288 -6.071 -6.466 1.00 0.00 C ATOM 791 O GLN A 171 -24.162 -6.785 -5.975 1.00 0.00 O ATOM 792 CB GLN A 171 -24.415 -3.871 -6.820 1.00 0.00 C ATOM 793 CG GLN A 171 -24.236 -3.890 -8.337 1.00 0.00 C ATOM 794 CD GLN A 171 -25.428 -3.222 -9.012 1.00 0.00 C ATOM 795 OE1 GLN A 171 -25.852 -2.142 -8.599 1.00 0.00 O ATOM 796 NE2 GLN A 171 -25.999 -3.804 -10.031 1.00 0.00 N ATOM 0 H GLN A 171 -22.060 -3.449 -7.480 1.00 0.00 H new ATOM 0 HA GLN A 171 -23.291 -4.448 -5.077 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -25.348 -4.364 -6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -24.481 -2.843 -6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -23.316 -3.372 -8.609 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -24.139 -4.918 -8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -25.646 -4.698 -10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -26.798 -3.364 -10.487 1.00 0.00 H new ATOM 805 N HIS A 172 -22.350 -6.537 -7.280 1.00 0.00 N ATOM 806 CA HIS A 172 -22.296 -7.945 -7.650 1.00 0.00 C ATOM 807 C HIS A 172 -22.317 -8.823 -6.404 1.00 0.00 C ATOM 808 O HIS A 172 -22.458 -10.043 -6.492 1.00 0.00 O ATOM 809 CB HIS A 172 -21.029 -8.230 -8.456 1.00 0.00 C ATOM 810 CG HIS A 172 -21.125 -9.597 -9.076 1.00 0.00 C ATOM 811 ND1 HIS A 172 -20.899 -10.754 -8.351 1.00 0.00 N ATOM 812 CD2 HIS A 172 -21.422 -10.006 -10.352 1.00 0.00 C ATOM 813 CE1 HIS A 172 -21.062 -11.796 -9.187 1.00 0.00 C ATOM 814 NE2 HIS A 172 -21.381 -11.396 -10.420 1.00 0.00 N ATOM 0 H HIS A 172 -21.617 -5.962 -7.696 1.00 0.00 H new ATOM 0 HA HIS A 172 -23.169 -8.174 -8.261 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -20.902 -7.475 -9.232 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -20.153 -8.173 -7.809 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -21.653 -9.349 -11.178 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -20.949 -12.830 -8.896 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -21.557 -11.982 -11.236 1.00 0.00 H new ATOM 822 N VAL A 173 -22.173 -8.196 -5.244 1.00 0.00 N ATOM 823 CA VAL A 173 -22.176 -8.930 -3.984 1.00 0.00 C ATOM 824 C VAL A 173 -23.410 -9.820 -3.885 1.00 0.00 C ATOM 825 O VAL A 173 -23.460 -10.733 -3.060 1.00 0.00 O ATOM 826 CB VAL A 173 -22.156 -7.948 -2.807 1.00 0.00 C ATOM 827 CG1 VAL A 173 -22.319 -8.719 -1.492 1.00 0.00 C ATOM 828 CG2 VAL A 173 -20.823 -7.194 -2.796 1.00 0.00 C ATOM 0 H VAL A 173 -22.053 -7.188 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 173 -21.286 -9.558 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 173 -22.976 -7.237 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -22.305 -8.020 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -23.268 -9.256 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -21.501 -9.431 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -20.807 -6.495 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -20.004 -7.905 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -20.708 -6.644 -3.730 1.00 0.00 H new ATOM 925 N GLY A 179 -19.418 -10.095 0.781 1.00 0.00 N ATOM 926 CA GLY A 179 -19.239 -11.233 -0.119 1.00 0.00 C ATOM 927 C GLY A 179 -17.781 -11.661 -0.167 1.00 0.00 C ATOM 928 O GLY A 179 -16.895 -10.957 0.326 1.00 0.00 O ATOM 0 HA2 GLY A 179 -19.856 -12.067 0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -19.577 -10.967 -1.120 1.00 0.00 H new ATOM 932 N PHE A 180 -17.523 -12.823 -0.768 1.00 0.00 N ATOM 933 CA PHE A 180 -16.160 -13.336 -0.878 1.00 0.00 C ATOM 934 C PHE A 180 -15.821 -13.636 -2.331 1.00 0.00 C ATOM 935 O PHE A 180 -16.634 -14.193 -3.070 1.00 0.00 O ATOM 936 CB PHE A 180 -16.013 -14.608 -0.042 1.00 0.00 C ATOM 937 CG PHE A 180 -16.016 -14.249 1.425 1.00 0.00 C ATOM 938 CD1 PHE A 180 -14.833 -13.828 2.043 1.00 0.00 C ATOM 939 CD2 PHE A 180 -17.200 -14.338 2.165 1.00 0.00 C ATOM 940 CE1 PHE A 180 -14.832 -13.495 3.402 1.00 0.00 C ATOM 941 CE2 PHE A 180 -17.200 -14.005 3.525 1.00 0.00 C ATOM 942 CZ PHE A 180 -16.017 -13.584 4.143 1.00 0.00 C ATOM 0 H PHE A 180 -18.236 -13.423 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 180 -15.472 -12.577 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -16.830 -15.296 -0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 180 -15.086 -15.121 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 180 -13.920 -13.760 1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -18.113 -14.663 1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 180 -13.919 -13.170 3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 180 -18.113 -14.073 4.097 1.00 0.00 H new ATOM 0 HZ PHE A 180 -16.018 -13.328 5.192 1.00 0.00 H new ATOM 952 N VAL A 181 -14.610 -13.267 -2.743 1.00 0.00 N ATOM 953 CA VAL A 181 -14.170 -13.509 -4.110 1.00 0.00 C ATOM 954 C VAL A 181 -12.736 -14.030 -4.137 1.00 0.00 C ATOM 955 O VAL A 181 -11.838 -13.423 -3.556 1.00 0.00 O ATOM 956 CB VAL A 181 -14.259 -12.208 -4.920 1.00 0.00 C ATOM 957 CG1 VAL A 181 -15.692 -12.009 -5.426 1.00 0.00 C ATOM 958 CG2 VAL A 181 -13.870 -11.025 -4.029 1.00 0.00 C ATOM 0 H VAL A 181 -13.921 -12.802 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 181 -14.821 -14.264 -4.552 1.00 0.00 H new ATOM 0 HB VAL A 181 -13.579 -12.268 -5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -15.750 -11.084 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -15.974 -12.849 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -16.373 -11.952 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -13.933 -10.101 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -14.550 -10.971 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -12.850 -11.160 -3.670 1.00 0.00 H new ATOM 968 N ASP A 182 -12.534 -15.147 -4.827 1.00 0.00 N ATOM 969 CA ASP A 182 -11.204 -15.732 -4.937 1.00 0.00 C ATOM 970 C ASP A 182 -10.378 -14.972 -5.975 1.00 0.00 C ATOM 971 O ASP A 182 -10.912 -14.179 -6.751 1.00 0.00 O ATOM 972 CB ASP A 182 -11.308 -17.202 -5.343 1.00 0.00 C ATOM 973 CG ASP A 182 -9.934 -17.860 -5.276 1.00 0.00 C ATOM 974 OD1 ASP A 182 -9.058 -17.297 -4.642 1.00 0.00 O ATOM 975 OD2 ASP A 182 -9.777 -18.919 -5.860 1.00 0.00 O ATOM 0 H ASP A 182 -13.268 -15.661 -5.315 1.00 0.00 H new ATOM 0 HA ASP A 182 -10.712 -15.662 -3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -12.002 -17.722 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -11.709 -17.281 -6.353 1.00 0.00 H new ATOM 980 N PHE A 183 -9.075 -15.224 -5.987 1.00 0.00 N ATOM 981 CA PHE A 183 -8.186 -14.564 -6.936 1.00 0.00 C ATOM 982 C PHE A 183 -8.599 -14.882 -8.369 1.00 0.00 C ATOM 983 O PHE A 183 -8.237 -14.166 -9.304 1.00 0.00 O ATOM 984 CB PHE A 183 -6.742 -15.014 -6.706 1.00 0.00 C ATOM 985 CG PHE A 183 -5.839 -14.354 -7.724 1.00 0.00 C ATOM 986 CD1 PHE A 183 -5.695 -12.962 -7.731 1.00 0.00 C ATOM 987 CD2 PHE A 183 -5.149 -15.134 -8.661 1.00 0.00 C ATOM 988 CE1 PHE A 183 -4.862 -12.350 -8.675 1.00 0.00 C ATOM 989 CE2 PHE A 183 -4.316 -14.524 -9.602 1.00 0.00 C ATOM 990 CZ PHE A 183 -4.172 -13.131 -9.610 1.00 0.00 C ATOM 0 H PHE A 183 -8.612 -15.877 -5.354 1.00 0.00 H new ATOM 0 HA PHE A 183 -8.257 -13.488 -6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 183 -6.424 -14.750 -5.697 1.00 0.00 H new ATOM 0 HB3 PHE A 183 -6.670 -16.098 -6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 183 -6.226 -12.360 -7.008 1.00 0.00 H new ATOM 0 HD2 PHE A 183 -5.261 -16.208 -8.656 1.00 0.00 H new ATOM 0 HE1 PHE A 183 -4.752 -11.276 -8.682 1.00 0.00 H new ATOM 0 HE2 PHE A 183 -3.783 -15.126 -10.323 1.00 0.00 H new ATOM 0 HZ PHE A 183 -3.528 -12.659 -10.338 1.00 0.00 H new ATOM 1000 N GLU A 184 -9.351 -15.964 -8.540 1.00 0.00 N ATOM 1001 CA GLU A 184 -9.804 -16.368 -9.867 1.00 0.00 C ATOM 1002 C GLU A 184 -11.115 -15.670 -10.217 1.00 0.00 C ATOM 1003 O GLU A 184 -11.367 -15.351 -11.379 1.00 0.00 O ATOM 1004 CB GLU A 184 -9.998 -17.884 -9.914 1.00 0.00 C ATOM 1005 CG GLU A 184 -10.353 -18.309 -11.340 1.00 0.00 C ATOM 1006 CD GLU A 184 -10.513 -19.825 -11.408 1.00 0.00 C ATOM 1007 OE1 GLU A 184 -10.063 -20.490 -10.489 1.00 0.00 O ATOM 1008 OE2 GLU A 184 -11.089 -20.298 -12.374 1.00 0.00 O ATOM 0 H GLU A 184 -9.658 -16.574 -7.782 1.00 0.00 H new ATOM 0 HA GLU A 184 -9.046 -16.080 -10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 184 -9.088 -18.388 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 184 -10.790 -18.181 -9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 184 -11.277 -17.823 -11.654 1.00 0.00 H new ATOM 0 HG3 GLU A 184 -9.573 -17.986 -12.029 1.00 0.00 H new ATOM 1015 N GLU A 185 -11.948 -15.439 -9.205 1.00 0.00 N ATOM 1016 CA GLU A 185 -13.234 -14.778 -9.415 1.00 0.00 C ATOM 1017 C GLU A 185 -13.026 -13.291 -9.691 1.00 0.00 C ATOM 1018 O GLU A 185 -13.702 -12.703 -10.533 1.00 0.00 O ATOM 1019 CB GLU A 185 -14.122 -14.961 -8.190 1.00 0.00 C ATOM 1020 CG GLU A 185 -15.557 -14.566 -8.542 1.00 0.00 C ATOM 1021 CD GLU A 185 -16.163 -15.596 -9.490 1.00 0.00 C ATOM 1022 OE1 GLU A 185 -15.533 -16.619 -9.703 1.00 0.00 O ATOM 1023 OE2 GLU A 185 -17.247 -15.347 -9.992 1.00 0.00 O ATOM 0 H GLU A 185 -11.758 -15.698 -8.237 1.00 0.00 H new ATOM 0 HA GLU A 185 -13.722 -15.230 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 185 -14.090 -15.998 -7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 185 -13.756 -14.348 -7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 185 -16.157 -14.497 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 185 -15.568 -13.580 -9.007 1.00 0.00 H new ATOM 1030 N PHE A 186 -12.083 -12.689 -8.970 1.00 0.00 N ATOM 1031 CA PHE A 186 -11.781 -11.274 -9.154 1.00 0.00 C ATOM 1032 C PHE A 186 -11.262 -11.025 -10.574 1.00 0.00 C ATOM 1033 O PHE A 186 -11.689 -10.085 -11.240 1.00 0.00 O ATOM 1034 CB PHE A 186 -10.736 -10.826 -8.126 1.00 0.00 C ATOM 1035 CG PHE A 186 -9.897 -9.704 -8.700 1.00 0.00 C ATOM 1036 CD1 PHE A 186 -10.486 -8.472 -8.998 1.00 0.00 C ATOM 1037 CD2 PHE A 186 -8.537 -9.914 -8.952 1.00 0.00 C ATOM 1038 CE1 PHE A 186 -9.711 -7.444 -9.546 1.00 0.00 C ATOM 1039 CE2 PHE A 186 -7.762 -8.888 -9.499 1.00 0.00 C ATOM 1040 CZ PHE A 186 -8.348 -7.649 -9.790 1.00 0.00 C ATOM 0 H PHE A 186 -11.520 -13.155 -8.259 1.00 0.00 H new ATOM 0 HA PHE A 186 -12.693 -10.696 -9.008 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -11.230 -10.492 -7.214 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -10.098 -11.666 -7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -11.537 -8.314 -8.806 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -8.086 -10.869 -8.724 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -10.164 -6.492 -9.781 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -6.713 -9.050 -9.697 1.00 0.00 H new ATOM 0 HZ PHE A 186 -7.748 -6.852 -10.203 1.00 0.00 H new ATOM 1050 N VAL A 187 -10.317 -11.855 -11.005 1.00 0.00 N ATOM 1051 CA VAL A 187 -9.735 -11.709 -12.332 1.00 0.00 C ATOM 1052 C VAL A 187 -10.788 -12.004 -13.399 1.00 0.00 C ATOM 1053 O VAL A 187 -10.902 -11.277 -14.385 1.00 0.00 O ATOM 1054 CB VAL A 187 -8.551 -12.660 -12.494 1.00 0.00 C ATOM 1055 CG1 VAL A 187 -8.081 -12.652 -13.950 1.00 0.00 C ATOM 1056 CG2 VAL A 187 -7.405 -12.199 -11.590 1.00 0.00 C ATOM 0 H VAL A 187 -9.941 -12.630 -10.458 1.00 0.00 H new ATOM 0 HA VAL A 187 -9.384 -10.684 -12.451 1.00 0.00 H new ATOM 0 HB VAL A 187 -8.856 -13.669 -12.217 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -7.236 -13.331 -14.063 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -8.896 -12.976 -14.597 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -7.775 -11.643 -14.228 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -6.558 -12.876 -11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -7.103 -11.190 -11.871 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -7.737 -12.203 -10.552 1.00 0.00 H new ATOM 1066 N GLU A 188 -11.543 -13.088 -13.202 1.00 0.00 N ATOM 1067 CA GLU A 188 -12.570 -13.480 -14.159 1.00 0.00 C ATOM 1068 C GLU A 188 -13.273 -12.246 -14.718 1.00 0.00 C ATOM 1069 O GLU A 188 -13.558 -12.172 -15.913 1.00 0.00 O ATOM 1070 CB GLU A 188 -13.588 -14.389 -13.478 1.00 0.00 C ATOM 1071 CG GLU A 188 -14.548 -14.955 -14.527 1.00 0.00 C ATOM 1072 CD GLU A 188 -13.816 -15.959 -15.410 1.00 0.00 C ATOM 1073 OE1 GLU A 188 -12.680 -16.277 -15.100 1.00 0.00 O ATOM 1074 OE2 GLU A 188 -14.405 -16.402 -16.384 1.00 0.00 O ATOM 0 H GLU A 188 -11.460 -13.703 -12.393 1.00 0.00 H new ATOM 0 HA GLU A 188 -12.098 -14.017 -14.981 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -13.078 -15.201 -12.961 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -14.144 -13.831 -12.725 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -15.394 -15.437 -14.037 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -14.952 -14.147 -15.137 1.00 0.00 H new ATOM 1081 N LEU A 189 -13.542 -11.281 -13.846 1.00 0.00 N ATOM 1082 CA LEU A 189 -14.203 -10.054 -14.277 1.00 0.00 C ATOM 1083 C LEU A 189 -13.349 -9.300 -15.289 1.00 0.00 C ATOM 1084 O LEU A 189 -13.856 -8.816 -16.299 1.00 0.00 O ATOM 1085 CB LEU A 189 -14.469 -9.153 -13.059 1.00 0.00 C ATOM 1086 CG LEU A 189 -15.833 -9.493 -12.446 1.00 0.00 C ATOM 1087 CD1 LEU A 189 -15.847 -9.118 -10.967 1.00 0.00 C ATOM 1088 CD2 LEU A 189 -16.924 -8.702 -13.185 1.00 0.00 C ATOM 0 H LEU A 189 -13.317 -11.322 -12.852 1.00 0.00 H new ATOM 0 HA LEU A 189 -15.147 -10.323 -14.752 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -13.683 -9.289 -12.316 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -14.446 -8.105 -13.359 1.00 0.00 H new ATOM 0 HG LEU A 189 -16.019 -10.563 -12.543 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -16.819 -9.363 -10.539 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -15.070 -9.674 -10.443 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -15.662 -8.049 -10.861 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -17.898 -8.937 -12.756 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -16.731 -7.634 -13.083 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -16.918 -8.973 -14.241 1.00 0.00 H new ATOM 1100 N ILE A 190 -12.057 -9.201 -15.006 1.00 0.00 N ATOM 1101 CA ILE A 190 -11.141 -8.500 -15.896 1.00 0.00 C ATOM 1102 C ILE A 190 -10.870 -9.326 -17.149 1.00 0.00 C ATOM 1103 O ILE A 190 -10.656 -8.782 -18.231 1.00 0.00 O ATOM 1104 CB ILE A 190 -9.824 -8.213 -15.174 1.00 0.00 C ATOM 1105 CG1 ILE A 190 -10.115 -7.475 -13.864 1.00 0.00 C ATOM 1106 CG2 ILE A 190 -8.939 -7.336 -16.062 1.00 0.00 C ATOM 1107 CD1 ILE A 190 -8.832 -7.384 -13.035 1.00 0.00 C ATOM 0 H ILE A 190 -11.621 -9.595 -14.172 1.00 0.00 H new ATOM 0 HA ILE A 190 -11.604 -7.558 -16.191 1.00 0.00 H new ATOM 0 HB ILE A 190 -9.312 -9.152 -14.961 1.00 0.00 H new ATOM 0 HG12 ILE A 190 -10.497 -6.476 -14.074 1.00 0.00 H new ATOM 0 HG13 ILE A 190 -10.888 -8.000 -13.302 1.00 0.00 H new ATOM 0 HG21 ILE A 190 -7.999 -7.130 -15.549 1.00 0.00 H new ATOM 0 HG22 ILE A 190 -8.735 -7.855 -16.998 1.00 0.00 H new ATOM 0 HG23 ILE A 190 -9.451 -6.397 -16.272 1.00 0.00 H new ATOM 0 HD11 ILE A 190 -9.038 -6.859 -12.102 1.00 0.00 H new ATOM 0 HD12 ILE A 190 -8.470 -8.388 -12.814 1.00 0.00 H new ATOM 0 HD13 ILE A 190 -8.073 -6.840 -13.598 1.00 0.00 H new ATOM 1119 N SER A 191 -10.878 -10.647 -16.991 1.00 0.00 N ATOM 1120 CA SER A 191 -10.628 -11.541 -18.116 1.00 0.00 C ATOM 1121 C SER A 191 -9.328 -11.167 -18.821 1.00 0.00 C ATOM 1122 O SER A 191 -8.547 -10.437 -18.233 1.00 0.00 O ATOM 1123 CB SER A 191 -11.789 -11.466 -19.108 1.00 0.00 C ATOM 1124 OG SER A 191 -13.018 -11.552 -18.400 1.00 0.00 O ATOM 0 H SER A 191 -11.053 -11.118 -16.103 1.00 0.00 H new ATOM 0 HA SER A 191 -10.540 -12.558 -17.735 1.00 0.00 H new ATOM 0 HB2 SER A 191 -11.744 -10.532 -19.669 1.00 0.00 H new ATOM 0 HB3 SER A 191 -11.716 -12.277 -19.833 1.00 0.00 H new ATOM 0 HG SER A 191 -12.875 -12.024 -17.553 1.00 0.00 H new