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 Single : A 131 GLN : amide:sc= -4.6! C(o=-4.6!,f=-5!) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 CYS SG : rot 51:sc= 0.242 USER MOD Single : A 154 MET CE :methyl -160:sc= 0 (180deg=-0.445) USER MOD Single : A 156 THR OG1 : rot -169:sc= 0.00358 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= -0.0115 K(o=-0.011,f=-1.8!) USER MOD Single : A 172 HIS : no HD1:sc= -0.335 X(o=-0.33,f=-0.011) USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 123 0.277 -11.456 -22.235 1.00 0.00 N ATOM 59 CA GLY A 123 0.769 -12.777 -21.862 1.00 0.00 C ATOM 60 C GLY A 123 0.699 -12.975 -20.353 1.00 0.00 C ATOM 61 O GLY A 123 0.132 -12.154 -19.633 1.00 0.00 O ATOM 0 HA2 GLY A 123 0.178 -13.544 -22.362 1.00 0.00 H new ATOM 0 HA3 GLY A 123 1.798 -12.896 -22.201 1.00 0.00 H new ATOM 65 N PRO A 124 1.267 -14.047 -19.869 1.00 0.00 N ATOM 66 CA PRO A 124 1.272 -14.370 -18.413 1.00 0.00 C ATOM 67 C PRO A 124 1.934 -13.268 -17.589 1.00 0.00 C ATOM 68 O PRO A 124 1.616 -13.082 -16.415 1.00 0.00 O ATOM 69 CB PRO A 124 2.075 -15.670 -18.331 1.00 0.00 C ATOM 70 CG PRO A 124 2.035 -16.254 -19.705 1.00 0.00 C ATOM 71 CD PRO A 124 1.965 -15.068 -20.663 1.00 0.00 C ATOM 0 HA PRO A 124 0.264 -14.464 -18.009 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.101 -15.478 -18.016 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.641 -16.354 -17.602 1.00 0.00 H new ATOM 0 HG2 PRO A 124 2.921 -16.860 -19.898 1.00 0.00 H new ATOM 0 HG3 PRO A 124 1.170 -16.906 -19.827 1.00 0.00 H new ATOM 0 HD2 PRO A 124 2.957 -14.735 -20.967 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.419 -15.315 -21.573 1.00 0.00 H new ATOM 79 N GLU A 125 2.853 -12.541 -18.216 1.00 0.00 N ATOM 80 CA GLU A 125 3.563 -11.469 -17.531 1.00 0.00 C ATOM 81 C GLU A 125 2.574 -10.515 -16.871 1.00 0.00 C ATOM 82 O GLU A 125 2.676 -10.226 -15.679 1.00 0.00 O ATOM 83 CB GLU A 125 4.430 -10.696 -18.527 1.00 0.00 C ATOM 84 CG GLU A 125 5.274 -9.663 -17.778 1.00 0.00 C ATOM 85 CD GLU A 125 6.188 -8.931 -18.753 1.00 0.00 C ATOM 86 OE1 GLU A 125 5.959 -9.041 -19.947 1.00 0.00 O ATOM 87 OE2 GLU A 125 7.104 -8.270 -18.294 1.00 0.00 O ATOM 0 H GLU A 125 3.122 -12.674 -19.191 1.00 0.00 H new ATOM 0 HA GLU A 125 4.199 -11.910 -16.763 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.077 -11.384 -19.072 1.00 0.00 H new ATOM 0 HB3 GLU A 125 3.800 -10.200 -19.265 1.00 0.00 H new ATOM 0 HG2 GLU A 125 4.625 -8.950 -17.270 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.869 -10.156 -17.009 1.00 0.00 H new ATOM 94 N GLU A 126 1.613 -10.031 -17.652 1.00 0.00 N ATOM 95 CA GLU A 126 0.606 -9.114 -17.132 1.00 0.00 C ATOM 96 C GLU A 126 -0.251 -9.806 -16.078 1.00 0.00 C ATOM 97 O GLU A 126 -0.477 -9.267 -14.994 1.00 0.00 O ATOM 98 CB GLU A 126 -0.284 -8.613 -18.270 1.00 0.00 C ATOM 99 CG GLU A 126 0.548 -7.768 -19.237 1.00 0.00 C ATOM 100 CD GLU A 126 1.022 -6.496 -18.542 1.00 0.00 C ATOM 101 OE1 GLU A 126 0.425 -6.133 -17.542 1.00 0.00 O ATOM 102 OE2 GLU A 126 1.975 -5.903 -19.021 1.00 0.00 O ATOM 0 H GLU A 126 1.511 -10.257 -18.641 1.00 0.00 H new ATOM 0 HA GLU A 126 1.115 -8.267 -16.672 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.727 -9.458 -18.798 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.106 -8.021 -17.869 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.406 -8.341 -19.589 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -0.046 -7.513 -20.114 1.00 0.00 H new ATOM 109 N LEU A 127 -0.725 -11.005 -16.403 1.00 0.00 N ATOM 110 CA LEU A 127 -1.542 -11.770 -15.469 1.00 0.00 C ATOM 111 C LEU A 127 -0.797 -11.965 -14.152 1.00 0.00 C ATOM 112 O LEU A 127 -1.378 -11.828 -13.073 1.00 0.00 O ATOM 113 CB LEU A 127 -1.887 -13.133 -16.069 1.00 0.00 C ATOM 114 CG LEU A 127 -2.647 -13.968 -15.037 1.00 0.00 C ATOM 115 CD1 LEU A 127 -3.897 -13.209 -14.584 1.00 0.00 C ATOM 116 CD2 LEU A 127 -3.061 -15.300 -15.665 1.00 0.00 C ATOM 0 H LEU A 127 -0.559 -11.464 -17.298 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.462 -11.217 -15.279 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.493 -13.004 -16.966 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.976 -13.650 -16.371 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.004 -14.154 -14.177 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.438 -13.805 -13.849 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.604 -12.259 -14.137 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.541 -13.022 -15.444 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.603 -15.896 -14.930 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.704 -15.113 -16.525 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.172 -15.842 -15.988 1.00 0.00 H new ATOM 128 N GLU A 128 0.489 -12.282 -14.246 1.00 0.00 N ATOM 129 CA GLU A 128 1.301 -12.499 -13.056 1.00 0.00 C ATOM 130 C GLU A 128 1.316 -11.245 -12.188 1.00 0.00 C ATOM 131 O GLU A 128 1.325 -11.327 -10.960 1.00 0.00 O ATOM 132 CB GLU A 128 2.732 -12.862 -13.458 1.00 0.00 C ATOM 133 CG GLU A 128 3.435 -13.547 -12.284 1.00 0.00 C ATOM 134 CD GLU A 128 3.603 -12.563 -11.132 1.00 0.00 C ATOM 135 OE1 GLU A 128 3.834 -11.396 -11.404 1.00 0.00 O ATOM 136 OE2 GLU A 128 3.501 -12.990 -9.994 1.00 0.00 O ATOM 0 H GLU A 128 0.989 -12.394 -15.128 1.00 0.00 H new ATOM 0 HA GLU A 128 0.867 -13.320 -12.485 1.00 0.00 H new ATOM 0 HB2 GLU A 128 2.721 -13.523 -14.325 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.278 -11.965 -13.749 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.855 -14.409 -11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.409 -13.920 -12.600 1.00 0.00 H new ATOM 143 N GLU A 129 1.315 -10.084 -12.836 1.00 0.00 N ATOM 144 CA GLU A 129 1.334 -8.818 -12.114 1.00 0.00 C ATOM 145 C GLU A 129 0.092 -8.688 -11.241 1.00 0.00 C ATOM 146 O GLU A 129 0.165 -8.224 -10.102 1.00 0.00 O ATOM 147 CB GLU A 129 1.391 -7.652 -13.103 1.00 0.00 C ATOM 148 CG GLU A 129 1.553 -6.339 -12.335 1.00 0.00 C ATOM 149 CD GLU A 129 1.630 -5.170 -13.310 1.00 0.00 C ATOM 150 OE1 GLU A 129 1.305 -5.369 -14.470 1.00 0.00 O ATOM 151 OE2 GLU A 129 2.013 -4.092 -12.884 1.00 0.00 O ATOM 0 H GLU A 129 1.301 -9.994 -13.852 1.00 0.00 H new ATOM 0 HA GLU A 129 2.219 -8.794 -11.478 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.224 -7.787 -13.793 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.481 -7.625 -13.703 1.00 0.00 H new ATOM 0 HG2 GLU A 129 0.713 -6.201 -11.654 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.455 -6.374 -11.725 1.00 0.00 H new ATOM 158 N LEU A 130 -1.049 -9.106 -11.781 1.00 0.00 N ATOM 159 CA LEU A 130 -2.302 -9.035 -11.041 1.00 0.00 C ATOM 160 C LEU A 130 -2.228 -9.902 -9.789 1.00 0.00 C ATOM 161 O LEU A 130 -2.730 -9.526 -8.730 1.00 0.00 O ATOM 162 CB LEU A 130 -3.459 -9.508 -11.924 1.00 0.00 C ATOM 163 CG LEU A 130 -3.660 -8.518 -13.074 1.00 0.00 C ATOM 164 CD1 LEU A 130 -4.648 -9.105 -14.083 1.00 0.00 C ATOM 165 CD2 LEU A 130 -4.215 -7.203 -12.523 1.00 0.00 C ATOM 0 H LEU A 130 -1.131 -9.494 -12.721 1.00 0.00 H new ATOM 0 HA LEU A 130 -2.472 -8.000 -10.746 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -3.247 -10.502 -12.318 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -4.372 -9.587 -11.334 1.00 0.00 H new ATOM 0 HG LEU A 130 -2.705 -8.332 -13.566 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -4.792 -8.401 -14.903 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -4.254 -10.043 -14.475 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -5.603 -9.290 -13.591 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -4.358 -6.497 -13.341 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -5.170 -7.389 -12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -3.512 -6.785 -11.802 1.00 0.00 H new ATOM 177 N GLN A 131 -1.596 -11.065 -9.918 1.00 0.00 N ATOM 178 CA GLN A 131 -1.458 -11.977 -8.789 1.00 0.00 C ATOM 179 C GLN A 131 -0.623 -11.335 -7.687 1.00 0.00 C ATOM 180 O GLN A 131 -0.948 -11.443 -6.506 1.00 0.00 O ATOM 181 CB GLN A 131 -0.794 -13.278 -9.244 1.00 0.00 C ATOM 182 CG GLN A 131 -0.758 -14.267 -8.080 1.00 0.00 C ATOM 183 CD GLN A 131 -2.178 -14.678 -7.700 1.00 0.00 C ATOM 184 OE1 GLN A 131 -2.903 -15.240 -8.521 1.00 0.00 O ATOM 185 NE2 GLN A 131 -2.620 -14.428 -6.498 1.00 0.00 N ATOM 0 H GLN A 131 -1.175 -11.396 -10.786 1.00 0.00 H new ATOM 0 HA GLN A 131 -2.452 -12.197 -8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -1.345 -13.706 -10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 131 0.218 -13.078 -9.597 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -0.178 -15.147 -8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -0.260 -13.814 -7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -2.017 -13.962 -5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -3.568 -14.698 -6.237 1.00 0.00 H new ATOM 194 N ALA A 132 0.451 -10.661 -8.085 1.00 0.00 N ATOM 195 CA ALA A 132 1.323 -9.998 -7.122 1.00 0.00 C ATOM 196 C ALA A 132 0.529 -8.999 -6.290 1.00 0.00 C ATOM 197 O ALA A 132 0.750 -8.865 -5.086 1.00 0.00 O ATOM 198 CB ALA A 132 2.457 -9.276 -7.853 1.00 0.00 C ATOM 0 H ALA A 132 0.737 -10.560 -9.059 1.00 0.00 H new ATOM 0 HA ALA A 132 1.747 -10.752 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.103 -8.784 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 132 3.039 -9.998 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 132 2.038 -8.531 -8.529 1.00 0.00 H new ATOM 204 N ALA A 133 -0.396 -8.301 -6.940 1.00 0.00 N ATOM 205 CA ALA A 133 -1.221 -7.317 -6.249 1.00 0.00 C ATOM 206 C ALA A 133 -2.114 -8.003 -5.221 1.00 0.00 C ATOM 207 O ALA A 133 -2.248 -7.536 -4.090 1.00 0.00 O ATOM 208 CB ALA A 133 -2.089 -6.562 -7.258 1.00 0.00 C ATOM 0 H ALA A 133 -0.592 -8.397 -7.936 1.00 0.00 H new ATOM 0 HA ALA A 133 -0.566 -6.612 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -2.702 -5.829 -6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -1.449 -6.052 -7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -2.735 -7.267 -7.782 1.00 0.00 H new ATOM 214 N PHE A 134 -2.718 -9.118 -5.620 1.00 0.00 N ATOM 215 CA PHE A 134 -3.591 -9.866 -4.723 1.00 0.00 C ATOM 216 C PHE A 134 -2.851 -10.215 -3.436 1.00 0.00 C ATOM 217 O PHE A 134 -3.439 -10.231 -2.354 1.00 0.00 O ATOM 218 CB PHE A 134 -4.068 -11.148 -5.406 1.00 0.00 C ATOM 219 CG PHE A 134 -5.231 -11.728 -4.635 1.00 0.00 C ATOM 220 CD1 PHE A 134 -6.531 -11.275 -4.885 1.00 0.00 C ATOM 221 CD2 PHE A 134 -5.006 -12.717 -3.671 1.00 0.00 C ATOM 222 CE1 PHE A 134 -7.608 -11.812 -4.170 1.00 0.00 C ATOM 223 CE2 PHE A 134 -6.083 -13.255 -2.955 1.00 0.00 C ATOM 224 CZ PHE A 134 -7.385 -12.801 -3.205 1.00 0.00 C ATOM 0 H PHE A 134 -2.620 -9.521 -6.552 1.00 0.00 H new ATOM 0 HA PHE A 134 -4.454 -9.246 -4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.368 -10.936 -6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.254 -11.871 -5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -6.703 -10.512 -5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -4.002 -13.066 -3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -8.612 -11.463 -4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -5.910 -14.019 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 134 -8.216 -13.214 -2.653 1.00 0.00 H new ATOM 234 N GLU A 135 -1.557 -10.491 -3.562 1.00 0.00 N ATOM 235 CA GLU A 135 -0.745 -10.839 -2.404 1.00 0.00 C ATOM 236 C GLU A 135 -0.704 -9.678 -1.416 1.00 0.00 C ATOM 237 O GLU A 135 -0.743 -9.881 -0.202 1.00 0.00 O ATOM 238 CB GLU A 135 0.679 -11.184 -2.848 1.00 0.00 C ATOM 239 CG GLU A 135 1.492 -11.653 -1.640 1.00 0.00 C ATOM 240 CD GLU A 135 2.885 -12.085 -2.085 1.00 0.00 C ATOM 241 OE1 GLU A 135 3.058 -12.328 -3.269 1.00 0.00 O ATOM 242 OE2 GLU A 135 3.757 -12.167 -1.237 1.00 0.00 O ATOM 0 H GLU A 135 -1.052 -10.480 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.191 -11.705 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.655 -11.965 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.151 -10.312 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 135 1.568 -10.849 -0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 135 0.984 -12.483 -1.150 1.00 0.00 H new ATOM 249 N GLU A 136 -0.630 -8.461 -1.946 1.00 0.00 N ATOM 250 CA GLU A 136 -0.598 -7.272 -1.104 1.00 0.00 C ATOM 251 C GLU A 136 -1.968 -7.024 -0.481 1.00 0.00 C ATOM 252 O GLU A 136 -2.071 -6.661 0.690 1.00 0.00 O ATOM 253 CB GLU A 136 -0.185 -6.055 -1.934 1.00 0.00 C ATOM 254 CG GLU A 136 1.273 -6.208 -2.374 1.00 0.00 C ATOM 255 CD GLU A 136 1.670 -5.045 -3.278 1.00 0.00 C ATOM 256 OE1 GLU A 136 0.849 -4.163 -3.470 1.00 0.00 O ATOM 257 OE2 GLU A 136 2.787 -5.054 -3.765 1.00 0.00 O ATOM 0 H GLU A 136 -0.591 -8.274 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 136 0.129 -7.431 -0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -0.831 -5.960 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -0.305 -5.144 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 136 1.924 -6.239 -1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 136 1.405 -7.152 -2.903 1.00 0.00 H new ATOM 264 N PHE A 137 -3.015 -7.224 -1.273 1.00 0.00 N ATOM 265 CA PHE A 137 -4.376 -7.018 -0.793 1.00 0.00 C ATOM 266 C PHE A 137 -4.777 -8.131 0.169 1.00 0.00 C ATOM 267 O PHE A 137 -5.487 -7.895 1.147 1.00 0.00 O ATOM 268 CB PHE A 137 -5.348 -6.984 -1.974 1.00 0.00 C ATOM 269 CG PHE A 137 -5.214 -5.668 -2.702 1.00 0.00 C ATOM 270 CD1 PHE A 137 -5.639 -4.484 -2.089 1.00 0.00 C ATOM 271 CD2 PHE A 137 -4.665 -5.634 -3.989 1.00 0.00 C ATOM 272 CE1 PHE A 137 -5.514 -3.263 -2.765 1.00 0.00 C ATOM 273 CE2 PHE A 137 -4.540 -4.413 -4.664 1.00 0.00 C ATOM 274 CZ PHE A 137 -4.965 -3.229 -4.051 1.00 0.00 C ATOM 0 H PHE A 137 -2.949 -7.527 -2.245 1.00 0.00 H new ATOM 0 HA PHE A 137 -4.416 -6.065 -0.265 1.00 0.00 H new ATOM 0 HB2 PHE A 137 -5.139 -7.810 -2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 137 -6.371 -7.113 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 137 -6.063 -4.511 -1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 137 -4.338 -6.549 -4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -5.841 -2.348 -2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -4.116 -4.385 -5.657 1.00 0.00 H new ATOM 0 HZ PHE A 137 -4.869 -2.288 -4.572 1.00 0.00 H new ATOM 284 N ASP A 138 -4.314 -9.344 -0.114 1.00 0.00 N ATOM 285 CA ASP A 138 -4.634 -10.488 0.730 1.00 0.00 C ATOM 286 C ASP A 138 -3.731 -10.513 1.960 1.00 0.00 C ATOM 287 O ASP A 138 -2.731 -11.232 1.993 1.00 0.00 O ATOM 288 CB ASP A 138 -4.460 -11.786 -0.062 1.00 0.00 C ATOM 289 CG ASP A 138 -5.226 -12.917 0.615 1.00 0.00 C ATOM 290 OD1 ASP A 138 -5.754 -12.688 1.691 1.00 0.00 O ATOM 291 OD2 ASP A 138 -5.276 -13.995 0.048 1.00 0.00 O ATOM 0 H ASP A 138 -3.720 -9.559 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 138 -5.670 -10.399 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -4.821 -11.651 -1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -3.403 -12.041 -0.130 1.00 0.00 H new ATOM 296 N THR A 139 -4.091 -9.725 2.966 1.00 0.00 N ATOM 297 CA THR A 139 -3.302 -9.658 4.193 1.00 0.00 C ATOM 298 C THR A 139 -3.505 -10.917 5.031 1.00 0.00 C ATOM 299 O THR A 139 -2.569 -11.416 5.652 1.00 0.00 O ATOM 300 CB THR A 139 -3.711 -8.429 5.007 1.00 0.00 C ATOM 301 OG1 THR A 139 -5.128 -8.363 5.085 1.00 0.00 O ATOM 302 CG2 THR A 139 -3.175 -7.165 4.333 1.00 0.00 C ATOM 0 H THR A 139 -4.917 -9.127 2.959 1.00 0.00 H new ATOM 0 HA THR A 139 -2.249 -9.582 3.923 1.00 0.00 H new ATOM 0 HB THR A 139 -3.295 -8.505 6.012 1.00 0.00 H new ATOM 0 HG1 THR A 139 -5.391 -7.577 5.608 1.00 0.00 H new ATOM 0 HG21 THR A 139 -3.467 -6.291 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 139 -2.088 -7.216 4.276 1.00 0.00 H new ATOM 0 HG23 THR A 139 -3.587 -7.086 3.327 1.00 0.00 H new ATOM 310 N ASP A 140 -4.734 -11.423 5.041 1.00 0.00 N ATOM 311 CA ASP A 140 -5.049 -12.621 5.812 1.00 0.00 C ATOM 312 C ASP A 140 -4.669 -13.877 5.035 1.00 0.00 C ATOM 313 O ASP A 140 -4.830 -14.993 5.526 1.00 0.00 O ATOM 314 CB ASP A 140 -6.542 -12.652 6.139 1.00 0.00 C ATOM 315 CG ASP A 140 -7.360 -12.536 4.858 1.00 0.00 C ATOM 316 OD1 ASP A 140 -6.779 -12.675 3.794 1.00 0.00 O ATOM 317 OD2 ASP A 140 -8.554 -12.310 4.959 1.00 0.00 O ATOM 0 H ASP A 140 -5.522 -11.027 4.529 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.474 -12.595 6.738 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -6.790 -13.579 6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -6.792 -11.834 6.815 1.00 0.00 H new ATOM 322 N GLN A 141 -4.168 -13.687 3.818 1.00 0.00 N ATOM 323 CA GLN A 141 -3.768 -14.815 2.984 1.00 0.00 C ATOM 324 C GLN A 141 -4.819 -15.919 3.036 1.00 0.00 C ATOM 325 O GLN A 141 -4.502 -17.100 2.902 1.00 0.00 O ATOM 326 CB GLN A 141 -2.424 -15.368 3.462 1.00 0.00 C ATOM 327 CG GLN A 141 -1.326 -14.335 3.202 1.00 0.00 C ATOM 328 CD GLN A 141 0.007 -14.848 3.738 1.00 0.00 C ATOM 329 OE1 GLN A 141 0.151 -15.069 4.940 1.00 0.00 O ATOM 330 NE2 GLN A 141 0.997 -15.050 2.911 1.00 0.00 N ATOM 0 H GLN A 141 -4.030 -12.771 3.391 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.673 -14.466 1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -2.473 -15.603 4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -2.195 -16.297 2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -1.246 -14.137 2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -1.582 -13.391 3.682 1.00 0.00 H new ATOM 0 HE21 GLN A 141 0.875 -14.866 1.915 1.00 0.00 H new ATOM 0 HE22 GLN A 141 1.892 -15.392 3.261 1.00 0.00 H new ATOM 339 N ASP A 142 -6.074 -15.524 3.233 1.00 0.00 N ATOM 340 CA ASP A 142 -7.164 -16.491 3.298 1.00 0.00 C ATOM 341 C ASP A 142 -7.620 -16.883 1.896 1.00 0.00 C ATOM 342 O ASP A 142 -8.487 -17.741 1.731 1.00 0.00 O ATOM 343 CB ASP A 142 -8.343 -15.895 4.071 1.00 0.00 C ATOM 344 CG ASP A 142 -8.797 -14.598 3.411 1.00 0.00 C ATOM 345 OD1 ASP A 142 -8.141 -14.171 2.477 1.00 0.00 O ATOM 346 OD2 ASP A 142 -9.796 -14.052 3.849 1.00 0.00 O ATOM 0 H ASP A 142 -6.359 -14.552 3.349 1.00 0.00 H new ATOM 0 HA ASP A 142 -6.803 -17.382 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -9.168 -16.607 4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.052 -15.705 5.104 1.00 0.00 H new ATOM 351 N GLY A 143 -7.030 -16.248 0.888 1.00 0.00 N ATOM 352 CA GLY A 143 -7.388 -16.534 -0.495 1.00 0.00 C ATOM 353 C GLY A 143 -8.661 -15.794 -0.894 1.00 0.00 C ATOM 354 O GLY A 143 -9.228 -16.042 -1.958 1.00 0.00 O ATOM 0 H GLY A 143 -6.307 -15.537 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.571 -16.241 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -7.531 -17.607 -0.623 1.00 0.00 H new ATOM 358 N TYR A 144 -9.105 -14.885 -0.031 1.00 0.00 N ATOM 359 CA TYR A 144 -10.314 -14.115 -0.304 1.00 0.00 C ATOM 360 C TYR A 144 -10.134 -12.665 0.132 1.00 0.00 C ATOM 361 O TYR A 144 -9.450 -12.383 1.115 1.00 0.00 O ATOM 362 CB TYR A 144 -11.504 -14.728 0.436 1.00 0.00 C ATOM 363 CG TYR A 144 -11.791 -16.101 -0.122 1.00 0.00 C ATOM 364 CD1 TYR A 144 -12.527 -16.238 -1.305 1.00 0.00 C ATOM 365 CD2 TYR A 144 -11.321 -17.240 0.543 1.00 0.00 C ATOM 366 CE1 TYR A 144 -12.793 -17.510 -1.823 1.00 0.00 C ATOM 367 CE2 TYR A 144 -11.587 -18.514 0.027 1.00 0.00 C ATOM 368 CZ TYR A 144 -12.323 -18.649 -1.157 1.00 0.00 C ATOM 369 OH TYR A 144 -12.585 -19.905 -1.667 1.00 0.00 O ATOM 0 H TYR A 144 -8.651 -14.665 0.855 1.00 0.00 H new ATOM 0 HA TYR A 144 -10.503 -14.140 -1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 144 -11.287 -14.795 1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 144 -12.381 -14.090 0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 144 -12.890 -15.360 -1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 144 -10.752 -17.136 1.455 1.00 0.00 H new ATOM 0 HE1 TYR A 144 -13.360 -17.614 -2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 144 -11.225 -19.392 0.541 1.00 0.00 H new ATOM 0 HH TYR A 144 -12.187 -20.584 -1.084 1.00 0.00 H new ATOM 379 N ILE A 145 -10.755 -11.750 -0.606 1.00 0.00 N ATOM 380 CA ILE A 145 -10.670 -10.332 -0.274 1.00 0.00 C ATOM 381 C ILE A 145 -12.063 -9.710 -0.222 1.00 0.00 C ATOM 382 O ILE A 145 -13.034 -10.302 -0.693 1.00 0.00 O ATOM 383 CB ILE A 145 -9.823 -9.601 -1.314 1.00 0.00 C ATOM 384 CG1 ILE A 145 -10.438 -9.797 -2.702 1.00 0.00 C ATOM 385 CG2 ILE A 145 -8.402 -10.167 -1.306 1.00 0.00 C ATOM 386 CD1 ILE A 145 -9.686 -8.938 -3.720 1.00 0.00 C ATOM 0 H ILE A 145 -11.317 -11.962 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 145 -10.203 -10.236 0.706 1.00 0.00 H new ATOM 0 HB ILE A 145 -9.793 -8.538 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 145 -10.387 -10.847 -2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 145 -11.492 -9.521 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 145 -7.798 -9.645 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 145 -7.961 -10.030 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 145 -8.432 -11.230 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 145 -10.124 -9.078 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 145 -9.760 -7.888 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 145 -8.637 -9.235 -3.743 1.00 0.00 H new ATOM 398 N GLY A 146 -12.150 -8.515 0.352 1.00 0.00 N ATOM 399 CA GLY A 146 -13.429 -7.822 0.458 1.00 0.00 C ATOM 400 C GLY A 146 -13.731 -7.039 -0.815 1.00 0.00 C ATOM 401 O GLY A 146 -12.901 -6.264 -1.289 1.00 0.00 O ATOM 0 H GLY A 146 -11.358 -8.009 0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -14.224 -8.544 0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -13.410 -7.144 1.311 1.00 0.00 H new ATOM 405 N TYR A 147 -14.925 -7.245 -1.361 1.00 0.00 N ATOM 406 CA TYR A 147 -15.324 -6.550 -2.580 1.00 0.00 C ATOM 407 C TYR A 147 -14.992 -5.065 -2.485 1.00 0.00 C ATOM 408 O TYR A 147 -14.913 -4.370 -3.498 1.00 0.00 O ATOM 409 CB TYR A 147 -16.828 -6.724 -2.811 1.00 0.00 C ATOM 410 CG TYR A 147 -17.085 -8.068 -3.449 1.00 0.00 C ATOM 411 CD1 TYR A 147 -17.067 -9.228 -2.666 1.00 0.00 C ATOM 412 CD2 TYR A 147 -17.341 -8.154 -4.822 1.00 0.00 C ATOM 413 CE1 TYR A 147 -17.306 -10.475 -3.258 1.00 0.00 C ATOM 414 CE2 TYR A 147 -17.580 -9.399 -5.414 1.00 0.00 C ATOM 415 CZ TYR A 147 -17.563 -10.561 -4.631 1.00 0.00 C ATOM 416 OH TYR A 147 -17.798 -11.790 -5.214 1.00 0.00 O ATOM 0 H TYR A 147 -15.627 -7.881 -0.983 1.00 0.00 H new ATOM 0 HA TYR A 147 -14.774 -6.980 -3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -17.363 -6.650 -1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -17.203 -5.927 -3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -16.869 -9.162 -1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -17.354 -7.258 -5.425 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -17.292 -11.371 -2.654 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -17.777 -9.464 -6.474 1.00 0.00 H new ATOM 0 HH TYR A 147 -17.960 -11.671 -6.173 1.00 0.00 H new ATOM 426 N ARG A 148 -14.797 -4.584 -1.260 1.00 0.00 N ATOM 427 CA ARG A 148 -14.473 -3.180 -1.046 1.00 0.00 C ATOM 428 C ARG A 148 -13.143 -2.830 -1.707 1.00 0.00 C ATOM 429 O ARG A 148 -12.999 -1.769 -2.315 1.00 0.00 O ATOM 430 CB ARG A 148 -14.392 -2.884 0.452 1.00 0.00 C ATOM 431 CG ARG A 148 -15.805 -2.820 1.037 1.00 0.00 C ATOM 432 CD ARG A 148 -16.480 -4.186 0.890 1.00 0.00 C ATOM 433 NE ARG A 148 -17.067 -4.318 -0.438 1.00 0.00 N ATOM 434 CZ ARG A 148 -18.142 -3.618 -0.789 1.00 0.00 C ATOM 435 NH1 ARG A 148 -18.691 -2.796 0.064 1.00 0.00 N ATOM 436 NH2 ARG A 148 -18.648 -3.755 -1.984 1.00 0.00 N ATOM 0 H ARG A 148 -14.857 -5.142 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 148 -15.260 -2.574 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -13.813 -3.658 0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -13.875 -1.939 0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -15.762 -2.535 2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -16.389 -2.057 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -15.751 -4.979 1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -17.253 -4.302 1.650 1.00 0.00 H new ATOM 0 HE ARG A 148 -16.645 -4.959 -1.110 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -18.295 -2.691 0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -19.515 -2.259 -0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -18.219 -4.399 -2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -19.472 -3.218 -2.253 1.00 0.00 H new ATOM 450 N GLU A 149 -12.173 -3.732 -1.586 1.00 0.00 N ATOM 451 CA GLU A 149 -10.856 -3.502 -2.169 1.00 0.00 C ATOM 452 C GLU A 149 -10.875 -3.797 -3.664 1.00 0.00 C ATOM 453 O GLU A 149 -9.864 -3.648 -4.349 1.00 0.00 O ATOM 454 CB GLU A 149 -9.819 -4.395 -1.483 1.00 0.00 C ATOM 455 CG GLU A 149 -9.618 -3.930 -0.040 1.00 0.00 C ATOM 456 CD GLU A 149 -10.848 -4.273 0.794 1.00 0.00 C ATOM 457 OE1 GLU A 149 -11.614 -5.118 0.364 1.00 0.00 O ATOM 458 OE2 GLU A 149 -11.005 -3.683 1.851 1.00 0.00 O ATOM 0 H GLU A 149 -12.273 -4.620 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 149 -10.590 -2.456 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -10.151 -5.433 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -8.874 -4.354 -2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -8.735 -4.408 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -9.441 -2.855 -0.017 1.00 0.00 H new ATOM 465 N LEU A 150 -12.032 -4.216 -4.165 1.00 0.00 N ATOM 466 CA LEU A 150 -12.173 -4.531 -5.581 1.00 0.00 C ATOM 467 C LEU A 150 -11.821 -3.317 -6.435 1.00 0.00 C ATOM 468 O LEU A 150 -11.050 -3.422 -7.390 1.00 0.00 O ATOM 469 CB LEU A 150 -13.607 -4.970 -5.880 1.00 0.00 C ATOM 470 CG LEU A 150 -13.701 -5.457 -7.327 1.00 0.00 C ATOM 471 CD1 LEU A 150 -14.932 -6.351 -7.487 1.00 0.00 C ATOM 472 CD2 LEU A 150 -13.821 -4.251 -8.262 1.00 0.00 C ATOM 0 H LEU A 150 -12.881 -4.345 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 150 -11.489 -5.344 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -13.905 -5.766 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -14.294 -4.139 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 150 -12.806 -6.026 -7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -14.998 -6.698 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -14.847 -7.209 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -15.829 -5.784 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -13.888 -4.596 -9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -14.717 -3.683 -8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -12.944 -3.614 -8.149 1.00 0.00 H new ATOM 484 N GLY A 151 -12.393 -2.170 -6.089 1.00 0.00 N ATOM 485 CA GLY A 151 -12.128 -0.942 -6.829 1.00 0.00 C ATOM 486 C GLY A 151 -10.689 -0.479 -6.622 1.00 0.00 C ATOM 487 O GLY A 151 -10.052 0.026 -7.545 1.00 0.00 O ATOM 0 H GLY A 151 -13.039 -2.064 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -12.312 -1.106 -7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -12.815 -0.161 -6.503 1.00 0.00 H new ATOM 491 N ASP A 152 -10.187 -0.656 -5.406 1.00 0.00 N ATOM 492 CA ASP A 152 -8.822 -0.252 -5.088 1.00 0.00 C ATOM 493 C ASP A 152 -7.820 -1.070 -5.899 1.00 0.00 C ATOM 494 O ASP A 152 -6.833 -0.535 -6.403 1.00 0.00 O ATOM 495 CB ASP A 152 -8.553 -0.445 -3.596 1.00 0.00 C ATOM 496 CG ASP A 152 -7.129 -0.013 -3.263 1.00 0.00 C ATOM 497 OD1 ASP A 152 -6.401 0.318 -4.185 1.00 0.00 O ATOM 498 OD2 ASP A 152 -6.786 -0.022 -2.093 1.00 0.00 O ATOM 0 H ASP A 152 -10.699 -1.073 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 152 -8.706 0.801 -5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -9.265 0.138 -3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -8.698 -1.491 -3.324 1.00 0.00 H new ATOM 503 N CYS A 153 -8.082 -2.367 -6.018 1.00 0.00 N ATOM 504 CA CYS A 153 -7.192 -3.249 -6.763 1.00 0.00 C ATOM 505 C CYS A 153 -7.092 -2.803 -8.220 1.00 0.00 C ATOM 506 O CYS A 153 -6.007 -2.798 -8.804 1.00 0.00 O ATOM 507 CB CYS A 153 -7.712 -4.686 -6.706 1.00 0.00 C ATOM 508 SG CYS A 153 -6.311 -5.833 -6.691 1.00 0.00 S ATOM 0 H CYS A 153 -8.896 -2.828 -5.612 1.00 0.00 H new ATOM 0 HA CYS A 153 -6.202 -3.201 -6.309 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -8.322 -4.828 -5.814 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -8.352 -4.887 -7.565 1.00 0.00 H new ATOM 0 HG CYS A 153 -5.468 -5.476 -5.768 1.00 0.00 H new ATOM 514 N MET A 154 -8.228 -2.424 -8.798 1.00 0.00 N ATOM 515 CA MET A 154 -8.254 -1.977 -10.186 1.00 0.00 C ATOM 516 C MET A 154 -7.436 -0.700 -10.352 1.00 0.00 C ATOM 517 O MET A 154 -6.757 -0.513 -11.361 1.00 0.00 O ATOM 518 CB MET A 154 -9.696 -1.724 -10.627 1.00 0.00 C ATOM 519 CG MET A 154 -9.741 -1.533 -12.143 1.00 0.00 C ATOM 520 SD MET A 154 -9.451 -3.123 -12.962 1.00 0.00 S ATOM 521 CE MET A 154 -11.182 -3.516 -13.312 1.00 0.00 C ATOM 0 H MET A 154 -9.135 -2.417 -8.331 1.00 0.00 H new ATOM 0 HA MET A 154 -7.817 -2.758 -10.808 1.00 0.00 H new ATOM 0 HB2 MET A 154 -10.328 -2.563 -10.337 1.00 0.00 H new ATOM 0 HB3 MET A 154 -10.090 -0.840 -10.127 1.00 0.00 H new ATOM 0 HG2 MET A 154 -10.709 -1.130 -12.441 1.00 0.00 H new ATOM 0 HG3 MET A 154 -8.986 -0.810 -12.452 1.00 0.00 H new ATOM 0 HE1 MET A 154 -11.283 -4.587 -13.489 1.00 0.00 H new ATOM 0 HE2 MET A 154 -11.800 -3.229 -12.461 1.00 0.00 H new ATOM 0 HE3 MET A 154 -11.507 -2.970 -14.197 1.00 0.00 H new ATOM 531 N ARG A 155 -7.510 0.177 -9.355 1.00 0.00 N ATOM 532 CA ARG A 155 -6.781 1.438 -9.406 1.00 0.00 C ATOM 533 C ARG A 155 -5.276 1.185 -9.432 1.00 0.00 C ATOM 534 O ARG A 155 -4.528 1.903 -10.095 1.00 0.00 O ATOM 535 CB ARG A 155 -7.134 2.296 -8.190 1.00 0.00 C ATOM 536 CG ARG A 155 -6.436 3.653 -8.300 1.00 0.00 C ATOM 537 CD ARG A 155 -6.915 4.566 -7.170 1.00 0.00 C ATOM 538 NE ARG A 155 -6.451 4.061 -5.883 1.00 0.00 N ATOM 539 CZ ARG A 155 -6.879 4.592 -4.743 1.00 0.00 C ATOM 540 NH1 ARG A 155 -7.733 5.578 -4.763 1.00 0.00 N ATOM 541 NH2 ARG A 155 -6.448 4.125 -3.602 1.00 0.00 N ATOM 0 H ARG A 155 -8.063 0.039 -8.509 1.00 0.00 H new ATOM 0 HA ARG A 155 -7.067 1.964 -10.317 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -8.214 2.435 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -6.827 1.791 -7.274 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -5.355 3.524 -8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -6.653 4.108 -9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -6.542 5.578 -7.328 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -8.003 4.623 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 155 -5.787 3.287 -5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -8.072 5.941 -5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -8.062 5.986 -3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -5.782 3.352 -3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -6.777 4.533 -2.727 1.00 0.00 H new ATOM 555 N THR A 156 -4.841 0.161 -8.706 1.00 0.00 N ATOM 556 CA THR A 156 -3.422 -0.169 -8.641 1.00 0.00 C ATOM 557 C THR A 156 -2.847 -0.336 -10.044 1.00 0.00 C ATOM 558 O THR A 156 -1.645 -0.538 -10.212 1.00 0.00 O ATOM 559 CB THR A 156 -3.221 -1.463 -7.848 1.00 0.00 C ATOM 560 OG1 THR A 156 -3.727 -1.292 -6.531 1.00 0.00 O ATOM 561 CG2 THR A 156 -1.730 -1.801 -7.788 1.00 0.00 C ATOM 0 H THR A 156 -5.446 -0.451 -8.158 1.00 0.00 H new ATOM 0 HA THR A 156 -2.901 0.647 -8.141 1.00 0.00 H new ATOM 0 HB THR A 156 -3.754 -2.278 -8.338 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.447 -2.047 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 156 -1.588 -2.722 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A 156 -1.346 -1.933 -8.800 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.192 -0.989 -7.298 1.00 0.00 H new ATOM 569 N LEU A 157 -3.714 -0.244 -11.047 1.00 0.00 N ATOM 570 CA LEU A 157 -3.279 -0.369 -12.433 1.00 0.00 C ATOM 571 C LEU A 157 -4.236 0.370 -13.363 1.00 0.00 C ATOM 572 O LEU A 157 -4.530 -0.094 -14.465 1.00 0.00 O ATOM 573 CB LEU A 157 -3.217 -1.846 -12.831 1.00 0.00 C ATOM 574 CG LEU A 157 -4.589 -2.487 -12.627 1.00 0.00 C ATOM 575 CD1 LEU A 157 -4.813 -3.563 -13.693 1.00 0.00 C ATOM 576 CD2 LEU A 157 -4.650 -3.129 -11.239 1.00 0.00 C ATOM 0 H LEU A 157 -4.714 -0.085 -10.928 1.00 0.00 H new ATOM 0 HA LEU A 157 -2.287 0.073 -12.524 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -2.911 -1.940 -13.873 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -2.469 -2.364 -12.231 1.00 0.00 H new ATOM 0 HG LEU A 157 -5.362 -1.723 -12.711 1.00 0.00 H new ATOM 0 HD11 LEU A 157 -5.792 -4.021 -13.548 1.00 0.00 H new ATOM 0 HD12 LEU A 157 -4.768 -3.109 -14.683 1.00 0.00 H new ATOM 0 HD13 LEU A 157 -4.039 -4.326 -13.608 1.00 0.00 H new ATOM 0 HD21 LEU A 157 -5.628 -3.587 -11.092 1.00 0.00 H new ATOM 0 HD22 LEU A 157 -3.876 -3.892 -11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 157 -4.489 -2.366 -10.478 1.00 0.00 H new ATOM 588 N GLY A 158 -4.720 1.524 -12.910 1.00 0.00 N ATOM 589 CA GLY A 158 -5.646 2.318 -13.709 1.00 0.00 C ATOM 590 C GLY A 158 -7.066 1.777 -13.590 1.00 0.00 C ATOM 591 O GLY A 158 -7.272 0.572 -13.439 1.00 0.00 O ATOM 0 H GLY A 158 -4.488 1.926 -12.002 1.00 0.00 H new ATOM 0 HA2 GLY A 158 -5.619 3.357 -13.380 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -5.334 2.307 -14.753 1.00 0.00 H new ATOM 595 N TYR A 159 -8.043 2.674 -13.662 1.00 0.00 N ATOM 596 CA TYR A 159 -9.443 2.274 -13.561 1.00 0.00 C ATOM 597 C TYR A 159 -10.015 1.970 -14.940 1.00 0.00 C ATOM 598 O TYR A 159 -9.986 2.815 -15.836 1.00 0.00 O ATOM 599 CB TYR A 159 -10.257 3.390 -12.902 1.00 0.00 C ATOM 600 CG TYR A 159 -10.116 4.659 -13.707 1.00 0.00 C ATOM 601 CD1 TYR A 159 -9.084 5.561 -13.418 1.00 0.00 C ATOM 602 CD2 TYR A 159 -11.016 4.936 -14.743 1.00 0.00 C ATOM 603 CE1 TYR A 159 -8.952 6.738 -14.163 1.00 0.00 C ATOM 604 CE2 TYR A 159 -10.884 6.114 -15.489 1.00 0.00 C ATOM 605 CZ TYR A 159 -9.852 7.014 -15.198 1.00 0.00 C ATOM 606 OH TYR A 159 -9.723 8.175 -15.933 1.00 0.00 O ATOM 0 H TYR A 159 -7.894 3.675 -13.789 1.00 0.00 H new ATOM 0 HA TYR A 159 -9.501 1.372 -12.951 1.00 0.00 H new ATOM 0 HB2 TYR A 159 -11.306 3.101 -12.840 1.00 0.00 H new ATOM 0 HB3 TYR A 159 -9.910 3.554 -11.882 1.00 0.00 H new ATOM 0 HD1 TYR A 159 -8.389 5.348 -12.619 1.00 0.00 H new ATOM 0 HD2 TYR A 159 -11.812 4.241 -14.967 1.00 0.00 H new ATOM 0 HE1 TYR A 159 -8.156 7.433 -13.939 1.00 0.00 H new ATOM 0 HE2 TYR A 159 -11.578 6.328 -16.288 1.00 0.00 H new ATOM 0 HH TYR A 159 -10.428 8.212 -16.613 1.00 0.00 H new ATOM 616 N MET A 160 -10.535 0.758 -15.106 1.00 0.00 N ATOM 617 CA MET A 160 -11.113 0.354 -16.382 1.00 0.00 C ATOM 618 C MET A 160 -12.568 0.798 -16.477 1.00 0.00 C ATOM 619 O MET A 160 -13.020 1.262 -17.524 1.00 0.00 O ATOM 620 CB MET A 160 -11.033 -1.167 -16.534 1.00 0.00 C ATOM 621 CG MET A 160 -10.548 -1.515 -17.941 1.00 0.00 C ATOM 622 SD MET A 160 -11.640 -0.746 -19.162 1.00 0.00 S ATOM 623 CE MET A 160 -10.833 -1.411 -20.639 1.00 0.00 C ATOM 0 H MET A 160 -10.568 0.044 -14.379 1.00 0.00 H new ATOM 0 HA MET A 160 -10.546 0.831 -17.182 1.00 0.00 H new ATOM 0 HB2 MET A 160 -10.352 -1.582 -15.790 1.00 0.00 H new ATOM 0 HB3 MET A 160 -12.011 -1.613 -16.355 1.00 0.00 H new ATOM 0 HG2 MET A 160 -9.525 -1.166 -18.081 1.00 0.00 H new ATOM 0 HG3 MET A 160 -10.537 -2.596 -18.077 1.00 0.00 H new ATOM 0 HE1 MET A 160 -11.354 -1.057 -21.529 1.00 0.00 H new ATOM 0 HE2 MET A 160 -9.796 -1.077 -20.668 1.00 0.00 H new ATOM 0 HE3 MET A 160 -10.863 -2.500 -20.611 1.00 0.00 H new ATOM 633 N PRO A 161 -13.302 0.667 -15.405 1.00 0.00 N ATOM 634 CA PRO A 161 -14.737 1.066 -15.355 1.00 0.00 C ATOM 635 C PRO A 161 -14.921 2.562 -15.595 1.00 0.00 C ATOM 636 O PRO A 161 -14.111 3.378 -15.153 1.00 0.00 O ATOM 637 CB PRO A 161 -15.173 0.681 -13.940 1.00 0.00 C ATOM 638 CG PRO A 161 -14.139 -0.281 -13.455 1.00 0.00 C ATOM 639 CD PRO A 161 -12.839 0.119 -14.121 1.00 0.00 C ATOM 0 HA PRO A 161 -15.327 0.579 -16.132 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -15.228 1.557 -13.294 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -16.163 0.225 -13.944 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -14.048 -0.240 -12.370 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -14.409 -1.305 -13.713 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -12.293 0.859 -13.536 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -12.173 -0.733 -14.259 1.00 0.00 H new ATOM 647 N THR A 162 -15.993 2.915 -16.299 1.00 0.00 N ATOM 648 CA THR A 162 -16.276 4.316 -16.589 1.00 0.00 C ATOM 649 C THR A 162 -16.885 5.000 -15.369 1.00 0.00 C ATOM 650 O THR A 162 -16.220 5.781 -14.689 1.00 0.00 O ATOM 651 CB THR A 162 -17.240 4.420 -17.773 1.00 0.00 C ATOM 652 OG1 THR A 162 -16.604 3.926 -18.944 1.00 0.00 O ATOM 653 CG2 THR A 162 -17.640 5.881 -17.984 1.00 0.00 C ATOM 0 H THR A 162 -16.674 2.256 -16.676 1.00 0.00 H new ATOM 0 HA THR A 162 -15.340 4.814 -16.841 1.00 0.00 H new ATOM 0 HB THR A 162 -18.133 3.829 -17.567 1.00 0.00 H new ATOM 0 HG1 THR A 162 -17.221 3.990 -19.703 1.00 0.00 H new ATOM 0 HG21 THR A 162 -18.326 5.952 -18.828 1.00 0.00 H new ATOM 0 HG22 THR A 162 -18.129 6.258 -17.086 1.00 0.00 H new ATOM 0 HG23 THR A 162 -16.750 6.476 -18.189 1.00 0.00 H new ATOM 661 N GLU A 163 -18.153 4.705 -15.100 1.00 0.00 N ATOM 662 CA GLU A 163 -18.835 5.293 -13.954 1.00 0.00 C ATOM 663 C GLU A 163 -20.067 4.472 -13.584 1.00 0.00 C ATOM 664 O GLU A 163 -20.219 4.046 -12.440 1.00 0.00 O ATOM 665 CB GLU A 163 -19.254 6.728 -14.275 1.00 0.00 C ATOM 666 CG GLU A 163 -19.865 7.372 -13.029 1.00 0.00 C ATOM 667 CD GLU A 163 -20.246 8.819 -13.322 1.00 0.00 C ATOM 668 OE1 GLU A 163 -20.184 9.205 -14.479 1.00 0.00 O ATOM 669 OE2 GLU A 163 -20.593 9.522 -12.386 1.00 0.00 O ATOM 0 H GLU A 163 -18.724 4.068 -15.655 1.00 0.00 H new ATOM 0 HA GLU A 163 -18.147 5.296 -13.109 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -18.391 7.304 -14.609 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -19.976 6.733 -15.091 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -20.746 6.812 -12.715 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -19.153 7.335 -12.204 1.00 0.00 H new ATOM 676 N MET A 164 -20.941 4.255 -14.561 1.00 0.00 N ATOM 677 CA MET A 164 -22.153 3.477 -14.327 1.00 0.00 C ATOM 678 C MET A 164 -21.817 1.997 -14.175 1.00 0.00 C ATOM 679 O MET A 164 -22.486 1.272 -13.437 1.00 0.00 O ATOM 680 CB MET A 164 -23.127 3.665 -15.491 1.00 0.00 C ATOM 681 CG MET A 164 -23.345 5.157 -15.740 1.00 0.00 C ATOM 682 SD MET A 164 -24.183 5.889 -14.311 1.00 0.00 S ATOM 683 CE MET A 164 -25.878 5.520 -14.828 1.00 0.00 C ATOM 0 H MET A 164 -20.835 4.603 -15.514 1.00 0.00 H new ATOM 0 HA MET A 164 -22.617 3.829 -13.406 1.00 0.00 H new ATOM 0 HB2 MET A 164 -22.732 3.190 -16.389 1.00 0.00 H new ATOM 0 HB3 MET A 164 -24.077 3.181 -15.265 1.00 0.00 H new ATOM 0 HG2 MET A 164 -22.389 5.652 -15.908 1.00 0.00 H new ATOM 0 HG3 MET A 164 -23.942 5.303 -16.640 1.00 0.00 H new ATOM 0 HE1 MET A 164 -26.576 5.891 -14.078 1.00 0.00 H new ATOM 0 HE2 MET A 164 -26.081 6.004 -15.783 1.00 0.00 H new ATOM 0 HE3 MET A 164 -25.999 4.442 -14.935 1.00 0.00 H new ATOM 693 N GLU A 165 -20.776 1.557 -14.875 1.00 0.00 N ATOM 694 CA GLU A 165 -20.366 0.159 -14.816 1.00 0.00 C ATOM 695 C GLU A 165 -19.871 -0.197 -13.419 1.00 0.00 C ATOM 696 O GLU A 165 -20.051 -1.322 -12.952 1.00 0.00 O ATOM 697 CB GLU A 165 -19.254 -0.101 -15.836 1.00 0.00 C ATOM 698 CG GLU A 165 -18.875 -1.583 -15.811 1.00 0.00 C ATOM 699 CD GLU A 165 -17.825 -1.869 -16.880 1.00 0.00 C ATOM 700 OE1 GLU A 165 -17.262 -0.919 -17.397 1.00 0.00 O ATOM 701 OE2 GLU A 165 -17.601 -3.033 -17.165 1.00 0.00 O ATOM 0 H GLU A 165 -20.205 2.143 -15.485 1.00 0.00 H new ATOM 0 HA GLU A 165 -21.229 -0.464 -15.051 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -19.588 0.183 -16.834 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -18.383 0.512 -15.605 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -18.488 -1.852 -14.828 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -19.759 -2.196 -15.984 1.00 0.00 H new ATOM 708 N LEU A 166 -19.245 0.770 -12.754 1.00 0.00 N ATOM 709 CA LEU A 166 -18.728 0.547 -11.408 1.00 0.00 C ATOM 710 C LEU A 166 -19.855 0.146 -10.460 1.00 0.00 C ATOM 711 O LEU A 166 -19.715 -0.795 -9.680 1.00 0.00 O ATOM 712 CB LEU A 166 -18.051 1.819 -10.892 1.00 0.00 C ATOM 713 CG LEU A 166 -16.931 1.442 -9.921 1.00 0.00 C ATOM 714 CD1 LEU A 166 -16.210 2.710 -9.456 1.00 0.00 C ATOM 715 CD2 LEU A 166 -17.528 0.723 -8.709 1.00 0.00 C ATOM 0 H LEU A 166 -19.084 1.708 -13.122 1.00 0.00 H new ATOM 0 HA LEU A 166 -17.998 -0.262 -11.448 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -17.646 2.392 -11.726 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -18.781 2.455 -10.392 1.00 0.00 H new ATOM 0 HG LEU A 166 -16.222 0.783 -10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -15.412 2.442 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -15.785 3.224 -10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -16.919 3.368 -8.954 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -16.731 0.454 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -18.237 1.382 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -18.042 -0.180 -9.038 1.00 0.00 H new ATOM 727 N LEU A 167 -20.969 0.866 -10.534 1.00 0.00 N ATOM 728 CA LEU A 167 -22.116 0.567 -9.684 1.00 0.00 C ATOM 729 C LEU A 167 -22.647 -0.830 -9.977 1.00 0.00 C ATOM 730 O LEU A 167 -23.075 -1.546 -9.070 1.00 0.00 O ATOM 731 CB LEU A 167 -23.222 1.598 -9.917 1.00 0.00 C ATOM 732 CG LEU A 167 -22.908 2.872 -9.133 1.00 0.00 C ATOM 733 CD1 LEU A 167 -23.048 2.599 -7.634 1.00 0.00 C ATOM 734 CD2 LEU A 167 -21.477 3.318 -9.436 1.00 0.00 C ATOM 0 H LEU A 167 -21.102 1.654 -11.168 1.00 0.00 H new ATOM 0 HA LEU A 167 -21.796 0.610 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -23.304 1.824 -10.980 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -24.183 1.193 -9.602 1.00 0.00 H new ATOM 0 HG LEU A 167 -23.605 3.657 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -22.824 3.508 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -24.068 2.281 -7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -22.352 1.813 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -21.253 4.227 -8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -20.781 2.531 -9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -21.375 3.514 -10.503 1.00 0.00 H new ATOM 746 N GLU A 168 -22.619 -1.215 -11.249 1.00 0.00 N ATOM 747 CA GLU A 168 -23.099 -2.531 -11.652 1.00 0.00 C ATOM 748 C GLU A 168 -22.235 -3.626 -11.038 1.00 0.00 C ATOM 749 O GLU A 168 -22.746 -4.637 -10.557 1.00 0.00 O ATOM 750 CB GLU A 168 -23.074 -2.652 -13.176 1.00 0.00 C ATOM 751 CG GLU A 168 -24.093 -1.685 -13.783 1.00 0.00 C ATOM 752 CD GLU A 168 -23.971 -1.687 -15.303 1.00 0.00 C ATOM 753 OE1 GLU A 168 -23.213 -2.495 -15.816 1.00 0.00 O ATOM 754 OE2 GLU A 168 -24.636 -0.881 -15.933 1.00 0.00 O ATOM 0 H GLU A 168 -22.271 -0.638 -12.014 1.00 0.00 H new ATOM 0 HA GLU A 168 -24.122 -2.649 -11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -22.076 -2.428 -13.553 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -23.305 -3.675 -13.474 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -25.102 -1.976 -13.490 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -23.927 -0.679 -13.398 1.00 0.00 H new ATOM 761 N VAL A 169 -20.922 -3.418 -11.058 1.00 0.00 N ATOM 762 CA VAL A 169 -19.995 -4.393 -10.497 1.00 0.00 C ATOM 763 C VAL A 169 -20.154 -4.476 -8.982 1.00 0.00 C ATOM 764 O VAL A 169 -20.095 -5.561 -8.402 1.00 0.00 O ATOM 765 CB VAL A 169 -18.557 -4.003 -10.841 1.00 0.00 C ATOM 766 CG1 VAL A 169 -17.586 -4.951 -10.136 1.00 0.00 C ATOM 767 CG2 VAL A 169 -18.351 -4.098 -12.354 1.00 0.00 C ATOM 0 H VAL A 169 -20.479 -2.589 -11.454 1.00 0.00 H new ATOM 0 HA VAL A 169 -20.220 -5.369 -10.927 1.00 0.00 H new ATOM 0 HB VAL A 169 -18.371 -2.981 -10.511 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -16.562 -4.672 -10.382 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -17.731 -4.885 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -17.772 -5.973 -10.465 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -17.326 -3.820 -12.600 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -18.539 -5.120 -12.683 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -19.041 -3.422 -12.858 1.00 0.00 H new ATOM 777 N SER A 170 -20.353 -3.326 -8.349 1.00 0.00 N ATOM 778 CA SER A 170 -20.502 -3.280 -6.900 1.00 0.00 C ATOM 779 C SER A 170 -21.757 -4.030 -6.464 1.00 0.00 C ATOM 780 O SER A 170 -21.878 -4.442 -5.310 1.00 0.00 O ATOM 781 CB SER A 170 -20.586 -1.827 -6.428 1.00 0.00 C ATOM 782 OG SER A 170 -19.305 -1.223 -6.544 1.00 0.00 O ATOM 0 H SER A 170 -20.415 -2.419 -8.812 1.00 0.00 H new ATOM 0 HA SER A 170 -19.632 -3.759 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 170 -21.315 -1.280 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 170 -20.928 -1.787 -5.394 1.00 0.00 H new ATOM 0 HG SER A 170 -19.354 -0.291 -6.244 1.00 0.00 H new ATOM 788 N GLN A 171 -22.689 -4.204 -7.395 1.00 0.00 N ATOM 789 CA GLN A 171 -23.934 -4.904 -7.094 1.00 0.00 C ATOM 790 C GLN A 171 -23.701 -6.409 -7.041 1.00 0.00 C ATOM 791 O GLN A 171 -24.511 -7.152 -6.488 1.00 0.00 O ATOM 792 CB GLN A 171 -24.983 -4.583 -8.161 1.00 0.00 C ATOM 793 CG GLN A 171 -26.298 -5.280 -7.807 1.00 0.00 C ATOM 794 CD GLN A 171 -27.409 -4.800 -8.737 1.00 0.00 C ATOM 795 OE1 GLN A 171 -27.268 -3.768 -9.390 1.00 0.00 O ATOM 796 NE2 GLN A 171 -28.510 -5.494 -8.834 1.00 0.00 N ATOM 0 H GLN A 171 -22.608 -3.873 -8.357 1.00 0.00 H new ATOM 0 HA GLN A 171 -24.293 -4.570 -6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -25.135 -3.506 -8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -24.635 -4.914 -9.140 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -26.181 -6.360 -7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -26.563 -5.070 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -28.623 -6.350 -8.291 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -29.257 -5.181 -9.453 1.00 0.00 H new ATOM 805 N HIS A 172 -22.590 -6.853 -7.618 1.00 0.00 N ATOM 806 CA HIS A 172 -22.262 -8.273 -7.633 1.00 0.00 C ATOM 807 C HIS A 172 -22.108 -8.800 -6.209 1.00 0.00 C ATOM 808 O HIS A 172 -22.087 -10.010 -5.984 1.00 0.00 O ATOM 809 CB HIS A 172 -20.963 -8.500 -8.407 1.00 0.00 C ATOM 810 CG HIS A 172 -21.176 -8.167 -9.857 1.00 0.00 C ATOM 811 ND1 HIS A 172 -20.145 -8.203 -10.783 1.00 0.00 N ATOM 812 CD2 HIS A 172 -22.296 -7.785 -10.556 1.00 0.00 C ATOM 813 CE1 HIS A 172 -20.662 -7.854 -11.977 1.00 0.00 C ATOM 814 NE2 HIS A 172 -21.968 -7.591 -11.895 1.00 0.00 N ATOM 0 H HIS A 172 -21.905 -6.254 -8.079 1.00 0.00 H new ATOM 0 HA HIS A 172 -23.074 -8.811 -8.122 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -20.168 -7.879 -7.994 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -20.643 -9.537 -8.305 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -23.280 -7.655 -10.131 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -20.089 -7.794 -12.890 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -22.592 -7.309 -12.651 1.00 0.00 H new ATOM 822 N VAL A 173 -21.999 -7.883 -5.254 1.00 0.00 N ATOM 823 CA VAL A 173 -21.844 -8.265 -3.856 1.00 0.00 C ATOM 824 C VAL A 173 -23.116 -8.932 -3.338 1.00 0.00 C ATOM 825 O VAL A 173 -23.114 -9.552 -2.275 1.00 0.00 O ATOM 826 CB VAL A 173 -21.530 -7.031 -3.010 1.00 0.00 C ATOM 827 CG1 VAL A 173 -21.266 -7.456 -1.564 1.00 0.00 C ATOM 828 CG2 VAL A 173 -20.290 -6.332 -3.570 1.00 0.00 C ATOM 0 H VAL A 173 -22.015 -6.877 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 173 -21.020 -8.975 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 173 -22.378 -6.346 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -21.042 -6.576 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -22.149 -7.955 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -20.418 -8.141 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -20.065 -5.452 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -19.443 -7.017 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -20.477 -6.028 -4.600 1.00 0.00 H new ATOM 925 N GLY A 179 -18.895 -9.682 0.904 1.00 0.00 N ATOM 926 CA GLY A 179 -18.880 -10.932 0.153 1.00 0.00 C ATOM 927 C GLY A 179 -17.473 -11.517 0.094 1.00 0.00 C ATOM 928 O GLY A 179 -16.523 -10.932 0.617 1.00 0.00 O ATOM 0 HA2 GLY A 179 -19.556 -11.649 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -19.248 -10.757 -0.858 1.00 0.00 H new ATOM 932 N PHE A 180 -17.344 -12.673 -0.549 1.00 0.00 N ATOM 933 CA PHE A 180 -16.049 -13.332 -0.667 1.00 0.00 C ATOM 934 C PHE A 180 -15.705 -13.576 -2.132 1.00 0.00 C ATOM 935 O PHE A 180 -16.551 -14.010 -2.913 1.00 0.00 O ATOM 936 CB PHE A 180 -16.068 -14.664 0.086 1.00 0.00 C ATOM 937 CG PHE A 180 -16.217 -14.404 1.566 1.00 0.00 C ATOM 938 CD1 PHE A 180 -15.115 -13.985 2.320 1.00 0.00 C ATOM 939 CD2 PHE A 180 -17.461 -14.583 2.185 1.00 0.00 C ATOM 940 CE1 PHE A 180 -15.254 -13.745 3.691 1.00 0.00 C ATOM 941 CE2 PHE A 180 -17.601 -14.343 3.557 1.00 0.00 C ATOM 942 CZ PHE A 180 -16.496 -13.924 4.310 1.00 0.00 C ATOM 0 H PHE A 180 -18.116 -13.170 -0.994 1.00 0.00 H new ATOM 0 HA PHE A 180 -15.290 -12.682 -0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -16.891 -15.283 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 180 -15.148 -15.216 -0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 180 -14.156 -13.847 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -18.312 -14.906 1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 180 -14.403 -13.422 4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 180 -18.560 -14.481 4.035 1.00 0.00 H new ATOM 0 HZ PHE A 180 -16.603 -13.739 5.369 1.00 0.00 H new ATOM 952 N VAL A 181 -14.457 -13.299 -2.497 1.00 0.00 N ATOM 953 CA VAL A 181 -14.015 -13.491 -3.874 1.00 0.00 C ATOM 954 C VAL A 181 -12.538 -13.870 -3.916 1.00 0.00 C ATOM 955 O VAL A 181 -11.700 -13.207 -3.305 1.00 0.00 O ATOM 956 CB VAL A 181 -14.239 -12.210 -4.679 1.00 0.00 C ATOM 957 CG1 VAL A 181 -13.105 -11.222 -4.393 1.00 0.00 C ATOM 958 CG2 VAL A 181 -14.256 -12.543 -6.172 1.00 0.00 C ATOM 0 H VAL A 181 -13.739 -12.944 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 181 -14.598 -14.301 -4.312 1.00 0.00 H new ATOM 0 HB VAL A 181 -15.192 -11.764 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -13.265 -10.309 -4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -13.089 -10.984 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -12.153 -11.668 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -14.416 -11.631 -6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -13.303 -12.989 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -15.062 -13.247 -6.379 1.00 0.00 H new ATOM 968 N ASP A 182 -12.226 -14.938 -4.644 1.00 0.00 N ATOM 969 CA ASP A 182 -10.847 -15.394 -4.761 1.00 0.00 C ATOM 970 C ASP A 182 -10.201 -14.822 -6.021 1.00 0.00 C ATOM 971 O ASP A 182 -10.826 -14.056 -6.756 1.00 0.00 O ATOM 972 CB ASP A 182 -10.804 -16.923 -4.815 1.00 0.00 C ATOM 973 CG ASP A 182 -11.556 -17.423 -6.042 1.00 0.00 C ATOM 974 OD1 ASP A 182 -11.919 -16.600 -6.869 1.00 0.00 O ATOM 975 OD2 ASP A 182 -11.760 -18.622 -6.140 1.00 0.00 O ATOM 0 H ASP A 182 -12.905 -15.500 -5.158 1.00 0.00 H new ATOM 0 HA ASP A 182 -10.293 -15.046 -3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -9.770 -17.265 -4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -11.249 -17.340 -3.911 1.00 0.00 H new ATOM 980 N PHE A 183 -8.948 -15.195 -6.260 1.00 0.00 N ATOM 981 CA PHE A 183 -8.231 -14.709 -7.434 1.00 0.00 C ATOM 982 C PHE A 183 -8.864 -15.251 -8.712 1.00 0.00 C ATOM 983 O PHE A 183 -8.892 -14.570 -9.738 1.00 0.00 O ATOM 984 CB PHE A 183 -6.764 -15.141 -7.366 1.00 0.00 C ATOM 985 CG PHE A 183 -5.944 -14.276 -8.293 1.00 0.00 C ATOM 986 CD1 PHE A 183 -5.795 -12.910 -8.027 1.00 0.00 C ATOM 987 CD2 PHE A 183 -5.332 -14.842 -9.418 1.00 0.00 C ATOM 988 CE1 PHE A 183 -5.034 -12.108 -8.887 1.00 0.00 C ATOM 989 CE2 PHE A 183 -4.571 -14.040 -10.278 1.00 0.00 C ATOM 990 CZ PHE A 183 -4.422 -12.674 -10.013 1.00 0.00 C ATOM 0 H PHE A 183 -8.412 -15.826 -5.664 1.00 0.00 H new ATOM 0 HA PHE A 183 -8.289 -13.621 -7.447 1.00 0.00 H new ATOM 0 HB2 PHE A 183 -6.394 -15.052 -6.345 1.00 0.00 H new ATOM 0 HB3 PHE A 183 -6.668 -16.189 -7.649 1.00 0.00 H new ATOM 0 HD1 PHE A 183 -6.267 -12.474 -7.159 1.00 0.00 H new ATOM 0 HD2 PHE A 183 -5.447 -15.896 -9.623 1.00 0.00 H new ATOM 0 HE1 PHE A 183 -4.919 -11.054 -8.682 1.00 0.00 H new ATOM 0 HE2 PHE A 183 -4.099 -14.476 -11.146 1.00 0.00 H new ATOM 0 HZ PHE A 183 -3.835 -12.056 -10.677 1.00 0.00 H new ATOM 1000 N GLU A 184 -9.372 -16.477 -8.643 1.00 0.00 N ATOM 1001 CA GLU A 184 -9.998 -17.101 -9.805 1.00 0.00 C ATOM 1002 C GLU A 184 -11.284 -16.368 -10.175 1.00 0.00 C ATOM 1003 O GLU A 184 -11.622 -16.248 -11.352 1.00 0.00 O ATOM 1004 CB GLU A 184 -10.310 -18.567 -9.505 1.00 0.00 C ATOM 1005 CG GLU A 184 -9.010 -19.321 -9.224 1.00 0.00 C ATOM 1006 CD GLU A 184 -9.314 -20.771 -8.866 1.00 0.00 C ATOM 1007 OE1 GLU A 184 -10.481 -21.127 -8.861 1.00 0.00 O ATOM 1008 OE2 GLU A 184 -8.376 -21.505 -8.601 1.00 0.00 O ATOM 0 H GLU A 184 -9.363 -17.055 -7.803 1.00 0.00 H new ATOM 0 HA GLU A 184 -9.306 -17.044 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 184 -10.977 -18.639 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 184 -10.829 -19.019 -10.350 1.00 0.00 H new ATOM 0 HG2 GLU A 184 -8.361 -19.282 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 184 -8.471 -18.841 -8.407 1.00 0.00 H new ATOM 1015 N GLU A 185 -11.993 -15.878 -9.163 1.00 0.00 N ATOM 1016 CA GLU A 185 -13.235 -15.150 -9.397 1.00 0.00 C ATOM 1017 C GLU A 185 -12.943 -13.686 -9.715 1.00 0.00 C ATOM 1018 O GLU A 185 -13.774 -12.991 -10.301 1.00 0.00 O ATOM 1019 CB GLU A 185 -14.130 -15.236 -8.160 1.00 0.00 C ATOM 1020 CG GLU A 185 -14.655 -16.664 -8.007 1.00 0.00 C ATOM 1021 CD GLU A 185 -15.453 -16.793 -6.714 1.00 0.00 C ATOM 1022 OE1 GLU A 185 -15.547 -15.807 -6.001 1.00 0.00 O ATOM 1023 OE2 GLU A 185 -15.956 -17.873 -6.456 1.00 0.00 O ATOM 0 H GLU A 185 -11.732 -15.970 -8.181 1.00 0.00 H new ATOM 0 HA GLU A 185 -13.746 -15.601 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 185 -13.569 -14.947 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 185 -14.963 -14.539 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 185 -15.284 -16.922 -8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 185 -13.822 -17.367 -8.001 1.00 0.00 H new ATOM 1030 N PHE A 186 -11.761 -13.224 -9.324 1.00 0.00 N ATOM 1031 CA PHE A 186 -11.361 -11.849 -9.593 1.00 0.00 C ATOM 1032 C PHE A 186 -10.978 -11.677 -11.060 1.00 0.00 C ATOM 1033 O PHE A 186 -11.412 -10.730 -11.718 1.00 0.00 O ATOM 1034 CB PHE A 186 -10.173 -11.468 -8.707 1.00 0.00 C ATOM 1035 CG PHE A 186 -10.212 -9.986 -8.420 1.00 0.00 C ATOM 1036 CD1 PHE A 186 -11.056 -9.489 -7.420 1.00 0.00 C ATOM 1037 CD2 PHE A 186 -9.404 -9.109 -9.154 1.00 0.00 C ATOM 1038 CE1 PHE A 186 -11.092 -8.114 -7.153 1.00 0.00 C ATOM 1039 CE2 PHE A 186 -9.441 -7.735 -8.888 1.00 0.00 C ATOM 1040 CZ PHE A 186 -10.286 -7.238 -7.888 1.00 0.00 C ATOM 0 H PHE A 186 -11.067 -13.778 -8.823 1.00 0.00 H new ATOM 0 HA PHE A 186 -12.205 -11.196 -9.371 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -10.207 -12.031 -7.774 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -9.238 -11.728 -9.203 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -11.679 -10.165 -6.854 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -8.752 -9.492 -9.925 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -11.742 -7.731 -6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -8.818 -7.058 -9.454 1.00 0.00 H new ATOM 0 HZ PHE A 186 -10.315 -6.178 -7.684 1.00 0.00 H new ATOM 1050 N VAL A 187 -10.164 -12.597 -11.567 1.00 0.00 N ATOM 1051 CA VAL A 187 -9.728 -12.536 -12.957 1.00 0.00 C ATOM 1052 C VAL A 187 -10.899 -12.796 -13.900 1.00 0.00 C ATOM 1053 O VAL A 187 -11.064 -12.108 -14.906 1.00 0.00 O ATOM 1054 CB VAL A 187 -8.630 -13.570 -13.207 1.00 0.00 C ATOM 1055 CG1 VAL A 187 -8.278 -13.594 -14.695 1.00 0.00 C ATOM 1056 CG2 VAL A 187 -7.387 -13.198 -12.395 1.00 0.00 C ATOM 0 H VAL A 187 -9.795 -13.389 -11.040 1.00 0.00 H new ATOM 0 HA VAL A 187 -9.337 -11.537 -13.150 1.00 0.00 H new ATOM 0 HB VAL A 187 -8.983 -14.555 -12.903 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -7.495 -14.332 -14.872 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -9.163 -13.858 -15.274 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -7.925 -12.609 -15.001 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -6.603 -13.934 -12.572 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -7.035 -12.212 -12.700 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -7.637 -13.182 -11.334 1.00 0.00 H new ATOM 1066 N GLU A 188 -11.708 -13.798 -13.568 1.00 0.00 N ATOM 1067 CA GLU A 188 -12.856 -14.146 -14.395 1.00 0.00 C ATOM 1068 C GLU A 188 -13.612 -12.892 -14.824 1.00 0.00 C ATOM 1069 O GLU A 188 -13.863 -12.681 -16.010 1.00 0.00 O ATOM 1070 CB GLU A 188 -13.798 -15.070 -13.621 1.00 0.00 C ATOM 1071 CG GLU A 188 -14.769 -15.742 -14.592 1.00 0.00 C ATOM 1072 CD GLU A 188 -15.763 -14.717 -15.129 1.00 0.00 C ATOM 1073 OE1 GLU A 188 -16.107 -13.810 -14.388 1.00 0.00 O ATOM 1074 OE2 GLU A 188 -16.165 -14.854 -16.272 1.00 0.00 O ATOM 0 H GLU A 188 -11.590 -14.379 -12.738 1.00 0.00 H new ATOM 0 HA GLU A 188 -12.493 -14.659 -15.285 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -13.223 -15.825 -13.084 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -14.351 -14.500 -12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -14.217 -16.193 -15.417 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -15.302 -16.548 -14.087 1.00 0.00 H new ATOM 1081 N LEU A 189 -13.972 -12.061 -13.850 1.00 0.00 N ATOM 1082 CA LEU A 189 -14.697 -10.830 -14.139 1.00 0.00 C ATOM 1083 C LEU A 189 -13.870 -9.914 -15.037 1.00 0.00 C ATOM 1084 O LEU A 189 -14.388 -9.332 -15.989 1.00 0.00 O ATOM 1085 CB LEU A 189 -15.031 -10.102 -12.836 1.00 0.00 C ATOM 1086 CG LEU A 189 -15.782 -8.807 -13.151 1.00 0.00 C ATOM 1087 CD1 LEU A 189 -17.068 -9.134 -13.910 1.00 0.00 C ATOM 1088 CD2 LEU A 189 -16.131 -8.089 -11.844 1.00 0.00 C ATOM 0 H LEU A 189 -13.775 -12.217 -12.861 1.00 0.00 H new ATOM 0 HA LEU A 189 -15.620 -11.090 -14.658 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -15.640 -10.741 -12.196 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -14.116 -9.880 -12.287 1.00 0.00 H new ATOM 0 HG LEU A 189 -15.152 -8.162 -13.764 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -17.603 -8.211 -14.134 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -16.821 -9.646 -14.840 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -17.698 -9.779 -13.297 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -16.666 -7.166 -12.068 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -16.761 -8.734 -11.231 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -15.215 -7.855 -11.302 1.00 0.00 H new ATOM 1100 N ILE A 190 -12.584 -9.792 -14.726 1.00 0.00 N ATOM 1101 CA ILE A 190 -11.697 -8.942 -15.509 1.00 0.00 C ATOM 1102 C ILE A 190 -11.434 -9.556 -16.880 1.00 0.00 C ATOM 1103 O ILE A 190 -11.120 -8.850 -17.838 1.00 0.00 O ATOM 1104 CB ILE A 190 -10.371 -8.749 -14.771 1.00 0.00 C ATOM 1105 CG1 ILE A 190 -10.639 -8.129 -13.399 1.00 0.00 C ATOM 1106 CG2 ILE A 190 -9.465 -7.822 -15.582 1.00 0.00 C ATOM 1107 CD1 ILE A 190 -9.365 -8.190 -12.554 1.00 0.00 C ATOM 0 H ILE A 190 -12.136 -10.268 -13.943 1.00 0.00 H new ATOM 0 HA ILE A 190 -12.181 -7.975 -15.645 1.00 0.00 H new ATOM 0 HB ILE A 190 -9.881 -9.714 -14.645 1.00 0.00 H new ATOM 0 HG12 ILE A 190 -10.964 -7.095 -13.513 1.00 0.00 H new ATOM 0 HG13 ILE A 190 -11.446 -8.663 -12.898 1.00 0.00 H new ATOM 0 HG21 ILE A 190 -8.520 -7.685 -15.056 1.00 0.00 H new ATOM 0 HG22 ILE A 190 -9.275 -8.264 -16.560 1.00 0.00 H new ATOM 0 HG23 ILE A 190 -9.953 -6.856 -15.709 1.00 0.00 H new ATOM 0 HD11 ILE A 190 -9.556 -7.748 -11.576 1.00 0.00 H new ATOM 0 HD12 ILE A 190 -9.060 -9.229 -12.430 1.00 0.00 H new ATOM 0 HD13 ILE A 190 -8.570 -7.636 -13.054 1.00 0.00 H new ATOM 1119 N SER A 191 -11.564 -10.876 -16.967 1.00 0.00 N ATOM 1120 CA SER A 191 -11.332 -11.575 -18.224 1.00 0.00 C ATOM 1121 C SER A 191 -12.568 -12.372 -18.633 1.00 0.00 C ATOM 1122 O SER A 191 -12.667 -13.520 -18.232 1.00 0.00 O ATOM 1123 CB SER A 191 -10.139 -12.520 -18.083 1.00 0.00 C ATOM 1124 OG SER A 191 -8.964 -11.759 -17.840 1.00 0.00 O ATOM 0 H SER A 191 -11.827 -11.479 -16.187 1.00 0.00 H new ATOM 0 HA SER A 191 -11.121 -10.834 -18.995 1.00 0.00 H new ATOM 0 HB2 SER A 191 -10.309 -13.219 -17.264 1.00 0.00 H new ATOM 0 HB3 SER A 191 -10.021 -13.113 -18.990 1.00 0.00 H new ATOM 0 HG SER A 191 -8.197 -12.362 -17.747 1.00 0.00 H new