USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 323 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 132 MET CE :methyl 158:sc= -0.0712 (180deg=-0.537) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 152:sc= -1.2 (180deg=-2.15!) USER MOD Single : A 150 GLN : amide:sc= -0.314 K(o=-0.31,f=-2.1!) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.4!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 6.016 4.583 4.040 1.00 0.00 N ATOM 82 CA ILE A 130 6.485 4.836 2.683 1.00 0.00 C ATOM 83 C ILE A 130 5.599 4.141 1.654 1.00 0.00 C ATOM 84 O ILE A 130 5.424 2.923 1.692 1.00 0.00 O ATOM 85 CB ILE A 130 7.939 4.361 2.495 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.822 4.888 3.627 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.474 4.813 1.145 1.00 0.00 C ATOM 88 CD1 ILE A 130 8.815 6.397 3.747 1.00 0.00 C ATOM 0 HA ILE A 130 6.438 5.914 2.529 1.00 0.00 H new ATOM 0 HB ILE A 130 7.955 3.272 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 130 8.487 4.455 4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.845 4.549 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.502 4.470 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.858 4.393 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.446 5.901 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.463 6.700 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.178 6.838 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.799 6.742 3.939 1.00 0.00 H new ATOM 100 N ALA A 131 5.044 4.925 0.735 1.00 0.00 N ATOM 101 CA ALA A 131 4.178 4.385 -0.308 1.00 0.00 C ATOM 102 C ALA A 131 3.874 5.438 -1.366 1.00 0.00 C ATOM 103 O ALA A 131 4.100 6.630 -1.152 1.00 0.00 O ATOM 104 CB ALA A 131 2.884 3.861 0.295 1.00 0.00 C ATOM 0 H ALA A 131 5.178 5.935 0.691 1.00 0.00 H new ATOM 0 HA ALA A 131 4.704 3.560 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.249 3.462 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.110 3.072 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.364 4.674 0.802 1.00 0.00 H new ATOM 110 N MET A 132 3.357 4.992 -2.503 1.00 0.00 N ATOM 111 CA MET A 132 3.017 5.899 -3.592 1.00 0.00 C ATOM 112 C MET A 132 1.671 6.570 -3.332 1.00 0.00 C ATOM 113 O MET A 132 0.792 5.993 -2.687 1.00 0.00 O ATOM 114 CB MET A 132 2.980 5.149 -4.925 1.00 0.00 C ATOM 115 CG MET A 132 4.134 4.177 -5.109 1.00 0.00 C ATOM 116 SD MET A 132 4.246 3.543 -6.793 1.00 0.00 S ATOM 117 CE MET A 132 4.767 5.013 -7.672 1.00 0.00 C ATOM 0 H MET A 132 3.164 4.009 -2.696 1.00 0.00 H new ATOM 0 HA MET A 132 3.787 6.669 -3.645 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.040 4.602 -4.998 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.992 5.873 -5.740 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.068 4.675 -4.849 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.015 3.343 -4.418 1.00 0.00 H new ATOM 0 HE1 MET A 132 5.248 4.726 -8.607 1.00 0.00 H new ATOM 0 HE2 MET A 132 3.898 5.635 -7.887 1.00 0.00 H new ATOM 0 HE3 MET A 132 5.472 5.573 -7.058 1.00 0.00 H new ATOM 127 N PRO A 133 1.489 7.801 -3.831 1.00 0.00 N ATOM 128 CA PRO A 133 0.245 8.549 -3.649 1.00 0.00 C ATOM 129 C PRO A 133 -0.975 7.752 -4.089 1.00 0.00 C ATOM 130 O PRO A 133 -1.963 7.672 -3.363 1.00 0.00 O ATOM 131 CB PRO A 133 0.425 9.795 -4.532 1.00 0.00 C ATOM 132 CG PRO A 133 1.610 9.508 -5.395 1.00 0.00 C ATOM 133 CD PRO A 133 2.473 8.563 -4.612 1.00 0.00 C ATOM 0 HA PRO A 133 0.069 8.788 -2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.464 9.980 -5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 133 0.589 10.685 -3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.304 9.063 -6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 133 2.151 10.424 -5.633 1.00 0.00 H new ATOM 0 HD2 PRO A 133 3.061 7.917 -5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.176 9.094 -3.970 1.00 0.00 H new ATOM 141 N SER A 134 -0.896 7.156 -5.277 1.00 0.00 N ATOM 142 CA SER A 134 -1.999 6.363 -5.812 1.00 0.00 C ATOM 143 C SER A 134 -2.263 5.149 -4.931 1.00 0.00 C ATOM 144 O SER A 134 -3.399 4.689 -4.819 1.00 0.00 O ATOM 145 CB SER A 134 -1.686 5.912 -7.240 1.00 0.00 C ATOM 146 OG SER A 134 -2.658 4.995 -7.711 1.00 0.00 O ATOM 0 H SER A 134 -0.080 7.208 -5.887 1.00 0.00 H new ATOM 0 HA SER A 134 -2.893 6.987 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.651 6.780 -7.899 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.700 5.449 -7.270 1.00 0.00 H new ATOM 0 HG SER A 134 -2.436 4.724 -8.626 1.00 0.00 H new ATOM 152 N VAL A 135 -1.214 4.641 -4.294 1.00 0.00 N ATOM 153 CA VAL A 135 -1.352 3.493 -3.410 1.00 0.00 C ATOM 154 C VAL A 135 -2.168 3.875 -2.186 1.00 0.00 C ATOM 155 O VAL A 135 -3.022 3.115 -1.731 1.00 0.00 O ATOM 156 CB VAL A 135 0.017 2.946 -2.967 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.150 1.737 -2.057 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.857 2.589 -4.182 1.00 0.00 C ATOM 0 H VAL A 135 -0.264 5.005 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.864 2.708 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 135 0.532 3.723 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.831 1.369 -1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.716 2.024 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.685 0.951 -2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.823 2.203 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.342 1.829 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.009 3.479 -4.793 1.00 0.00 H new ATOM 168 N ARG A 136 -1.910 5.070 -1.665 1.00 0.00 N ATOM 169 CA ARG A 136 -2.637 5.559 -0.503 1.00 0.00 C ATOM 170 C ARG A 136 -4.105 5.761 -0.856 1.00 0.00 C ATOM 171 O ARG A 136 -4.995 5.413 -0.079 1.00 0.00 O ATOM 172 CB ARG A 136 -2.029 6.869 0.002 1.00 0.00 C ATOM 173 CG ARG A 136 -0.777 6.676 0.846 1.00 0.00 C ATOM 174 CD ARG A 136 -1.064 6.842 2.332 1.00 0.00 C ATOM 175 NE ARG A 136 -1.903 8.008 2.606 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.536 8.211 3.758 1.00 0.00 C ATOM 177 NH1 ARG A 136 -2.436 7.327 4.744 1.00 0.00 N ATOM 178 NH2 ARG A 136 -3.273 9.301 3.927 1.00 0.00 N ATOM 0 H ARG A 136 -1.207 5.713 -2.028 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.561 4.817 0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.787 7.500 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.775 7.403 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.366 5.683 0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.018 7.396 0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.557 5.945 2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -0.123 6.938 2.873 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.009 8.707 1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.871 6.487 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -2.924 7.488 5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -3.354 9.984 3.173 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.758 9.457 4.811 1.00 0.00 H new ATOM 192 N LYS A 137 -4.351 6.305 -2.044 1.00 0.00 N ATOM 193 CA LYS A 137 -5.718 6.526 -2.510 1.00 0.00 C ATOM 194 C LYS A 137 -6.381 5.187 -2.775 1.00 0.00 C ATOM 195 O LYS A 137 -7.563 4.994 -2.495 1.00 0.00 O ATOM 196 CB LYS A 137 -5.755 7.375 -3.789 1.00 0.00 C ATOM 197 CG LYS A 137 -4.502 8.189 -4.032 1.00 0.00 C ATOM 198 CD LYS A 137 -4.710 9.230 -5.121 1.00 0.00 C ATOM 199 CE LYS A 137 -4.177 10.591 -4.701 1.00 0.00 C ATOM 200 NZ LYS A 137 -4.445 11.633 -5.729 1.00 0.00 N ATOM 0 H LYS A 137 -3.627 6.600 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.254 7.069 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.919 6.718 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -6.609 8.050 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -4.205 8.684 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -3.686 7.525 -4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -4.209 8.908 -6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -5.772 9.310 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -4.636 10.885 -3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -3.103 10.522 -4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -4.066 12.546 -5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -3.986 11.365 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -5.471 11.717 -5.879 1.00 0.00 H new ATOM 214 N TRP A 138 -5.597 4.259 -3.315 1.00 0.00 N ATOM 215 CA TRP A 138 -6.091 2.928 -3.616 1.00 0.00 C ATOM 216 C TRP A 138 -6.552 2.236 -2.339 1.00 0.00 C ATOM 217 O TRP A 138 -7.666 1.717 -2.266 1.00 0.00 O ATOM 218 CB TRP A 138 -4.999 2.118 -4.313 1.00 0.00 C ATOM 219 CG TRP A 138 -5.341 0.676 -4.495 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.739 -0.380 -3.886 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.360 0.130 -5.340 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.313 -1.557 -4.303 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.312 -1.269 -5.197 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.305 0.689 -6.205 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.173 -2.117 -5.887 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.160 -0.154 -6.889 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.089 -1.545 -6.727 1.00 0.00 C ATOM 0 H TRP A 138 -4.616 4.409 -3.552 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.947 3.004 -4.286 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.799 2.560 -5.289 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.079 2.193 -3.734 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.927 -0.305 -3.177 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -5.041 -2.491 -3.998 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.366 1.759 -6.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.120 -3.189 -5.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.895 0.266 -7.560 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.771 -2.177 -7.276 1.00 0.00 H new ATOM 238 N ALA A 139 -5.698 2.252 -1.324 1.00 0.00 N ATOM 239 CA ALA A 139 -6.031 1.649 -0.047 1.00 0.00 C ATOM 240 C ALA A 139 -7.225 2.363 0.568 1.00 0.00 C ATOM 241 O ALA A 139 -8.160 1.731 1.053 1.00 0.00 O ATOM 242 CB ALA A 139 -4.834 1.698 0.891 1.00 0.00 C ATOM 0 H ALA A 139 -4.771 2.676 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.295 0.604 -0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.100 1.242 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.001 1.152 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.542 2.735 1.054 1.00 0.00 H new ATOM 248 N ARG A 140 -7.191 3.691 0.531 1.00 0.00 N ATOM 249 CA ARG A 140 -8.275 4.500 1.073 1.00 0.00 C ATOM 250 C ARG A 140 -9.589 4.197 0.361 1.00 0.00 C ATOM 251 O ARG A 140 -10.663 4.283 0.956 1.00 0.00 O ATOM 252 CB ARG A 140 -7.940 5.987 0.943 1.00 0.00 C ATOM 253 CG ARG A 140 -8.985 6.903 1.561 1.00 0.00 C ATOM 254 CD ARG A 140 -8.732 8.358 1.199 1.00 0.00 C ATOM 255 NE ARG A 140 -9.970 9.133 1.149 1.00 0.00 N ATOM 256 CZ ARG A 140 -10.086 10.307 0.533 1.00 0.00 C ATOM 257 NH1 ARG A 140 -9.042 10.843 -0.088 1.00 0.00 N ATOM 258 NH2 ARG A 140 -11.247 10.947 0.537 1.00 0.00 N ATOM 0 H ARG A 140 -6.423 4.230 0.131 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.391 4.251 2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -6.977 6.177 1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -7.830 6.235 -0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.977 6.609 1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.975 6.789 2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -8.056 8.801 1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -8.233 8.409 0.231 1.00 0.00 H new ATOM 0 HE ARG A 140 -10.794 8.752 1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -8.146 10.355 -0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -9.136 11.743 -0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -12.052 10.540 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -11.335 11.847 0.065 1.00 0.00 H new ATOM 272 N GLU A 141 -9.499 3.841 -0.919 1.00 0.00 N ATOM 273 CA GLU A 141 -10.685 3.525 -1.708 1.00 0.00 C ATOM 274 C GLU A 141 -11.203 2.127 -1.370 1.00 0.00 C ATOM 275 O GLU A 141 -12.405 1.868 -1.432 1.00 0.00 O ATOM 276 CB GLU A 141 -10.378 3.655 -3.211 1.00 0.00 C ATOM 277 CG GLU A 141 -10.055 2.341 -3.911 1.00 0.00 C ATOM 278 CD GLU A 141 -11.281 1.690 -4.523 1.00 0.00 C ATOM 279 OE1 GLU A 141 -12.026 1.015 -3.783 1.00 0.00 O ATOM 280 OE2 GLU A 141 -11.495 1.857 -5.742 1.00 0.00 O ATOM 0 H GLU A 141 -8.619 3.765 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.469 4.240 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -11.235 4.113 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -9.536 4.335 -3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -9.316 2.521 -4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.602 1.654 -3.196 1.00 0.00 H new ATOM 287 N LYS A 142 -10.287 1.232 -1.011 1.00 0.00 N ATOM 288 CA LYS A 142 -10.650 -0.140 -0.661 1.00 0.00 C ATOM 289 C LYS A 142 -10.886 -0.289 0.842 1.00 0.00 C ATOM 290 O LYS A 142 -11.310 -1.347 1.308 1.00 0.00 O ATOM 291 CB LYS A 142 -9.549 -1.107 -1.100 1.00 0.00 C ATOM 292 CG LYS A 142 -9.180 -0.985 -2.570 1.00 0.00 C ATOM 293 CD LYS A 142 -9.402 -2.291 -3.314 1.00 0.00 C ATOM 294 CE LYS A 142 -8.638 -3.442 -2.677 1.00 0.00 C ATOM 295 NZ LYS A 142 -9.520 -4.609 -2.401 1.00 0.00 N ATOM 0 H LYS A 142 -9.288 1.431 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.578 -0.378 -1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.660 -0.930 -0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -9.873 -2.128 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.776 -0.197 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.135 -0.688 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -10.467 -2.525 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.088 -2.176 -4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.827 -3.748 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -8.182 -3.104 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -8.958 -5.483 -2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -9.951 -4.504 -1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -10.269 -4.656 -3.121 1.00 0.00 H new ATOM 309 N GLY A 143 -10.599 0.767 1.601 1.00 0.00 N ATOM 310 CA GLY A 143 -10.775 0.716 3.040 1.00 0.00 C ATOM 311 C GLY A 143 -9.485 0.381 3.768 1.00 0.00 C ATOM 312 O GLY A 143 -9.407 0.486 4.993 1.00 0.00 O ATOM 0 H GLY A 143 -10.248 1.656 1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.149 1.677 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.532 -0.029 3.285 1.00 0.00 H new ATOM 316 N VAL A 144 -8.468 -0.021 3.009 1.00 0.00 N ATOM 317 CA VAL A 144 -7.172 -0.371 3.571 1.00 0.00 C ATOM 318 C VAL A 144 -6.334 0.869 3.859 1.00 0.00 C ATOM 319 O VAL A 144 -6.387 1.852 3.121 1.00 0.00 O ATOM 320 CB VAL A 144 -6.375 -1.285 2.621 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.135 -1.823 3.320 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.248 -2.424 2.115 1.00 0.00 C ATOM 0 H VAL A 144 -8.521 -0.112 1.994 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.374 -0.899 4.503 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.055 -0.697 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.582 -2.467 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.501 -0.991 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.432 -2.396 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.667 -3.058 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.600 -3.015 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.103 -2.015 1.576 1.00 0.00 H new ATOM 332 N ASP A 145 -5.552 0.808 4.930 1.00 0.00 N ATOM 333 CA ASP A 145 -4.687 1.917 5.309 1.00 0.00 C ATOM 334 C ASP A 145 -3.230 1.572 5.019 1.00 0.00 C ATOM 335 O ASP A 145 -2.761 0.487 5.351 1.00 0.00 O ATOM 336 CB ASP A 145 -4.866 2.247 6.793 1.00 0.00 C ATOM 337 CG ASP A 145 -4.197 3.551 7.180 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.102 3.836 6.650 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.767 4.286 8.013 1.00 0.00 O ATOM 0 H ASP A 145 -5.500 0.001 5.552 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.964 2.792 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.930 2.305 7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.453 1.437 7.395 1.00 0.00 H new ATOM 344 N ILE A 146 -2.515 2.493 4.388 1.00 0.00 N ATOM 345 CA ILE A 146 -1.116 2.263 4.056 1.00 0.00 C ATOM 346 C ILE A 146 -0.291 1.996 5.315 1.00 0.00 C ATOM 347 O ILE A 146 0.656 1.209 5.298 1.00 0.00 O ATOM 348 CB ILE A 146 -0.521 3.459 3.278 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.538 2.973 2.289 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.068 4.501 4.225 1.00 0.00 C ATOM 351 CD1 ILE A 146 -0.038 2.218 1.110 1.00 0.00 C ATOM 0 H ILE A 146 -2.878 3.401 4.097 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.074 1.381 3.417 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.329 3.935 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.101 3.831 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.244 2.329 2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.478 5.328 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.713 4.874 4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.861 4.046 4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.770 1.903 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.577 1.341 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.723 2.866 0.562 1.00 0.00 H new ATOM 363 N ARG A 147 -0.657 2.670 6.399 1.00 0.00 N ATOM 364 CA ARG A 147 0.043 2.529 7.673 1.00 0.00 C ATOM 365 C ARG A 147 0.100 1.073 8.140 1.00 0.00 C ATOM 366 O ARG A 147 0.951 0.714 8.955 1.00 0.00 O ATOM 367 CB ARG A 147 -0.634 3.388 8.743 1.00 0.00 C ATOM 368 CG ARG A 147 -0.614 4.876 8.432 1.00 0.00 C ATOM 369 CD ARG A 147 -1.743 5.607 9.140 1.00 0.00 C ATOM 370 NE ARG A 147 -1.656 5.475 10.592 1.00 0.00 N ATOM 371 CZ ARG A 147 -2.670 5.717 11.422 1.00 0.00 C ATOM 372 NH1 ARG A 147 -3.847 6.102 10.946 1.00 0.00 N ATOM 373 NH2 ARG A 147 -2.506 5.572 12.729 1.00 0.00 N ATOM 0 H ARG A 147 -1.439 3.324 6.422 1.00 0.00 H new ATOM 0 HA ARG A 147 1.067 2.869 7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.668 3.063 8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.139 3.219 9.699 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.343 5.300 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.701 5.025 7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.717 6.663 8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.700 5.214 8.797 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.766 5.180 10.995 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -3.979 6.214 9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -4.620 6.286 11.585 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.603 5.275 13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -3.282 5.757 13.364 1.00 0.00 H new ATOM 387 N LEU A 148 -0.802 0.235 7.633 1.00 0.00 N ATOM 388 CA LEU A 148 -0.829 -1.175 8.023 1.00 0.00 C ATOM 389 C LEU A 148 -0.376 -2.080 6.883 1.00 0.00 C ATOM 390 O LEU A 148 -0.765 -3.245 6.817 1.00 0.00 O ATOM 391 CB LEU A 148 -2.228 -1.595 8.483 1.00 0.00 C ATOM 392 CG LEU A 148 -3.380 -1.015 7.670 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.635 -1.856 6.429 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.641 -0.925 8.512 1.00 0.00 C ATOM 0 H LEU A 148 -1.518 0.503 6.958 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.133 -1.286 8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.293 -2.683 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.355 -1.300 9.525 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.101 -0.009 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.461 -1.426 5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.738 -1.872 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.889 -2.874 6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.450 -0.508 7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.920 -1.921 8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.459 -0.281 9.372 1.00 0.00 H new ATOM 406 N VAL A 149 0.442 -1.544 5.987 1.00 0.00 N ATOM 407 CA VAL A 149 0.933 -2.320 4.856 1.00 0.00 C ATOM 408 C VAL A 149 2.454 -2.263 4.765 1.00 0.00 C ATOM 409 O VAL A 149 3.031 -1.212 4.487 1.00 0.00 O ATOM 410 CB VAL A 149 0.325 -1.825 3.530 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.729 -2.739 2.383 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.192 -1.734 3.639 1.00 0.00 C ATOM 0 H VAL A 149 0.778 -0.581 6.020 1.00 0.00 H new ATOM 0 HA VAL A 149 0.625 -3.352 5.023 1.00 0.00 H new ATOM 0 HB VAL A 149 0.713 -0.827 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.290 -2.373 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.815 -2.750 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.372 -3.750 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.604 -1.383 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.600 -2.718 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.459 -1.036 4.433 1.00 0.00 H new ATOM 422 N GLN A 150 3.097 -3.402 5.002 1.00 0.00 N ATOM 423 CA GLN A 150 4.551 -3.486 4.946 1.00 0.00 C ATOM 424 C GLN A 150 5.030 -3.609 3.503 1.00 0.00 C ATOM 425 O GLN A 150 5.462 -4.678 3.068 1.00 0.00 O ATOM 426 CB GLN A 150 5.046 -4.681 5.765 1.00 0.00 C ATOM 427 CG GLN A 150 6.558 -4.834 5.764 1.00 0.00 C ATOM 428 CD GLN A 150 7.006 -6.219 5.336 1.00 0.00 C ATOM 429 OE1 GLN A 150 6.261 -6.951 4.683 1.00 0.00 O ATOM 430 NE2 GLN A 150 8.228 -6.586 5.703 1.00 0.00 N ATOM 0 H GLN A 150 2.633 -4.280 5.235 1.00 0.00 H new ATOM 0 HA GLN A 150 4.962 -2.570 5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.701 -4.574 6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.597 -5.592 5.371 1.00 0.00 H new ATOM 0 HG2 GLN A 150 6.994 -4.093 5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 150 6.941 -4.625 6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 150 8.811 -5.948 6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 150 8.583 -7.506 5.444 1.00 0.00 H new ATOM 439 N GLY A 151 4.948 -2.509 2.763 1.00 0.00 N ATOM 440 CA GLY A 151 5.373 -2.512 1.376 1.00 0.00 C ATOM 441 C GLY A 151 6.820 -2.928 1.211 1.00 0.00 C ATOM 442 O GLY A 151 7.628 -2.756 2.122 1.00 0.00 O ATOM 0 H GLY A 151 4.594 -1.614 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.737 -3.189 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.235 -1.516 0.955 1.00 0.00 H new ATOM 446 N THR A 152 7.146 -3.480 0.045 1.00 0.00 N ATOM 447 CA THR A 152 8.507 -3.922 -0.241 1.00 0.00 C ATOM 448 C THR A 152 9.097 -3.154 -1.423 1.00 0.00 C ATOM 449 O THR A 152 9.983 -3.653 -2.117 1.00 0.00 O ATOM 450 CB THR A 152 8.524 -5.423 -0.535 1.00 0.00 C ATOM 451 OG1 THR A 152 7.807 -5.710 -1.723 1.00 0.00 O ATOM 452 CG2 THR A 152 7.926 -6.257 0.577 1.00 0.00 C ATOM 0 H THR A 152 6.485 -3.632 -0.717 1.00 0.00 H new ATOM 0 HA THR A 152 9.119 -3.721 0.638 1.00 0.00 H new ATOM 0 HB THR A 152 9.577 -5.686 -0.637 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.831 -6.675 -1.895 1.00 0.00 H new ATOM 0 HG21 THR A 152 7.969 -7.312 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.490 -6.096 1.496 1.00 0.00 H new ATOM 0 HG23 THR A 152 6.887 -5.965 0.733 1.00 0.00 H new ATOM 460 N GLY A 153 8.596 -1.944 -1.652 1.00 0.00 N ATOM 461 CA GLY A 153 9.083 -1.136 -2.757 1.00 0.00 C ATOM 462 C GLY A 153 10.426 -0.491 -2.471 1.00 0.00 C ATOM 463 O GLY A 153 10.506 0.480 -1.719 1.00 0.00 O ATOM 0 H GLY A 153 7.862 -1.508 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.168 -1.760 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.353 -0.358 -2.981 1.00 0.00 H new ATOM 467 N LYS A 154 11.480 -1.029 -3.080 1.00 0.00 N ATOM 468 CA LYS A 154 12.833 -0.504 -2.903 1.00 0.00 C ATOM 469 C LYS A 154 13.253 -0.529 -1.434 1.00 0.00 C ATOM 470 O LYS A 154 14.007 -1.407 -1.012 1.00 0.00 O ATOM 471 CB LYS A 154 12.929 0.920 -3.460 1.00 0.00 C ATOM 472 CG LYS A 154 14.243 1.206 -4.171 1.00 0.00 C ATOM 473 CD LYS A 154 15.245 1.874 -3.243 1.00 0.00 C ATOM 474 CE LYS A 154 14.785 3.263 -2.832 1.00 0.00 C ATOM 475 NZ LYS A 154 15.520 4.331 -3.565 1.00 0.00 N ATOM 0 H LYS A 154 11.423 -1.833 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 154 13.516 -1.148 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.106 1.086 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 154 12.805 1.630 -2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 154 14.662 0.274 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 154 14.059 1.848 -5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 154 15.386 1.259 -2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 154 16.213 1.942 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 154 13.716 3.362 -3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 154 14.932 3.392 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 15.177 5.263 -3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 16.537 4.253 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 15.359 4.224 -4.587 1.00 0.00 H new ATOM 489 N ASN A 155 12.764 0.433 -0.658 1.00 0.00 N ATOM 490 CA ASN A 155 13.090 0.512 0.761 1.00 0.00 C ATOM 491 C ASN A 155 11.887 0.137 1.622 1.00 0.00 C ATOM 492 O ASN A 155 11.879 0.376 2.830 1.00 0.00 O ATOM 493 CB ASN A 155 13.566 1.922 1.116 1.00 0.00 C ATOM 494 CG ASN A 155 12.509 2.976 0.848 1.00 0.00 C ATOM 495 OD1 ASN A 155 11.829 3.436 1.764 1.00 0.00 O ATOM 496 ND2 ASN A 155 12.366 3.361 -0.415 1.00 0.00 N ATOM 0 H ASN A 155 12.140 1.169 -0.989 1.00 0.00 H new ATOM 0 HA ASN A 155 13.891 -0.199 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 155 13.847 1.953 2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.462 2.155 0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 155 11.670 4.066 -0.658 1.00 0.00 H new ATOM 0 HD22 ASN A 155 12.952 2.952 -1.142 1.00 0.00 H new ATOM 503 N GLY A 156 10.871 -0.450 0.996 1.00 0.00 N ATOM 504 CA GLY A 156 9.680 -0.845 1.723 1.00 0.00 C ATOM 505 C GLY A 156 8.473 0.000 1.360 1.00 0.00 C ATOM 506 O GLY A 156 7.551 0.153 2.161 1.00 0.00 O ATOM 0 H GLY A 156 10.852 -0.659 -0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.462 -1.893 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 156 9.868 -0.764 2.794 1.00 0.00 H new ATOM 510 N ARG A 157 8.484 0.551 0.152 1.00 0.00 N ATOM 511 CA ARG A 157 7.388 1.391 -0.319 1.00 0.00 C ATOM 512 C ARG A 157 6.198 0.544 -0.764 1.00 0.00 C ATOM 513 O ARG A 157 6.326 -0.311 -1.641 1.00 0.00 O ATOM 514 CB ARG A 157 7.865 2.272 -1.475 1.00 0.00 C ATOM 515 CG ARG A 157 6.783 3.177 -2.044 1.00 0.00 C ATOM 516 CD ARG A 157 7.152 3.683 -3.431 1.00 0.00 C ATOM 517 NE ARG A 157 7.283 5.138 -3.467 1.00 0.00 N ATOM 518 CZ ARG A 157 8.362 5.797 -3.050 1.00 0.00 C ATOM 519 NH1 ARG A 157 9.406 5.136 -2.565 1.00 0.00 N ATOM 520 NH2 ARG A 157 8.398 7.120 -3.119 1.00 0.00 N ATOM 0 H ARG A 157 9.241 0.431 -0.521 1.00 0.00 H new ATOM 0 HA ARG A 157 7.064 2.024 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.697 2.887 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.248 1.634 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 157 5.840 2.632 -2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.627 4.024 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 157 8.091 3.227 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 157 6.391 3.370 -4.145 1.00 0.00 H new ATOM 0 HE ARG A 157 6.501 5.681 -3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 157 9.384 4.118 -2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 157 10.230 5.646 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 157 7.599 7.633 -3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 157 9.225 7.625 -2.800 1.00 0.00 H new ATOM 534 N VAL A 158 5.041 0.790 -0.157 1.00 0.00 N ATOM 535 CA VAL A 158 3.829 0.053 -0.494 1.00 0.00 C ATOM 536 C VAL A 158 3.355 0.393 -1.901 1.00 0.00 C ATOM 537 O VAL A 158 2.953 1.523 -2.176 1.00 0.00 O ATOM 538 CB VAL A 158 2.690 0.348 0.501 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.548 -0.637 0.310 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.204 0.314 1.933 1.00 0.00 C ATOM 0 H VAL A 158 4.918 1.494 0.571 1.00 0.00 H new ATOM 0 HA VAL A 158 4.081 -1.006 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 158 2.311 1.351 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.752 -0.414 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.161 -0.553 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.910 -1.651 0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.384 0.525 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.613 -0.673 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 158 3.984 1.066 2.058 1.00 0.00 H new ATOM 550 N LEU A 159 3.406 -0.594 -2.788 1.00 0.00 N ATOM 551 CA LEU A 159 2.980 -0.402 -4.168 1.00 0.00 C ATOM 552 C LEU A 159 1.631 -1.069 -4.411 1.00 0.00 C ATOM 553 O LEU A 159 1.136 -1.815 -3.564 1.00 0.00 O ATOM 554 CB LEU A 159 4.023 -0.970 -5.134 1.00 0.00 C ATOM 555 CG LEU A 159 5.477 -0.841 -4.676 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.351 -1.863 -5.387 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.990 0.568 -4.926 1.00 0.00 C ATOM 0 H LEU A 159 3.738 -1.535 -2.576 1.00 0.00 H new ATOM 0 HA LEU A 159 2.879 0.669 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.804 -2.025 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.916 -0.467 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 159 5.521 -1.037 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.382 -1.757 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.995 -2.868 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.303 -1.697 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 159 7.026 0.642 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.933 0.792 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.380 1.281 -4.372 1.00 0.00 H new ATOM 569 N LYS A 160 1.040 -0.802 -5.573 1.00 0.00 N ATOM 570 CA LYS A 160 -0.251 -1.385 -5.923 1.00 0.00 C ATOM 571 C LYS A 160 -0.238 -2.896 -5.706 1.00 0.00 C ATOM 572 O LYS A 160 -1.263 -3.498 -5.386 1.00 0.00 O ATOM 573 CB LYS A 160 -0.604 -1.066 -7.377 1.00 0.00 C ATOM 574 CG LYS A 160 -2.063 -0.690 -7.579 1.00 0.00 C ATOM 575 CD LYS A 160 -2.730 -1.562 -8.632 1.00 0.00 C ATOM 576 CE LYS A 160 -2.927 -0.808 -9.938 1.00 0.00 C ATOM 577 NZ LYS A 160 -3.455 -1.690 -11.014 1.00 0.00 N ATOM 0 H LYS A 160 1.434 -0.188 -6.286 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.009 -0.948 -5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.025 -0.246 -7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.371 -1.931 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.598 -0.788 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.131 0.356 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -2.121 -2.448 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -3.695 -1.908 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.616 0.021 -9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -1.977 -0.377 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.575 -1.138 -11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -2.786 -2.468 -11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -4.373 -2.081 -10.723 1.00 0.00 H new ATOM 591 N GLU A 161 0.934 -3.498 -5.877 1.00 0.00 N ATOM 592 CA GLU A 161 1.088 -4.935 -5.693 1.00 0.00 C ATOM 593 C GLU A 161 0.992 -5.300 -4.216 1.00 0.00 C ATOM 594 O GLU A 161 0.374 -6.302 -3.852 1.00 0.00 O ATOM 595 CB GLU A 161 2.430 -5.403 -6.262 1.00 0.00 C ATOM 596 CG GLU A 161 2.575 -6.915 -6.312 1.00 0.00 C ATOM 597 CD GLU A 161 3.802 -7.410 -5.570 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.921 -6.982 -5.922 1.00 0.00 O ATOM 599 OE2 GLU A 161 3.643 -8.224 -4.637 1.00 0.00 O ATOM 0 H GLU A 161 1.791 -3.012 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 161 0.282 -5.437 -6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 161 2.548 -5.001 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 161 3.236 -4.989 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 161 1.685 -7.376 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 161 2.630 -7.236 -7.352 1.00 0.00 H new ATOM 606 N ASP A 162 1.601 -4.478 -3.367 1.00 0.00 N ATOM 607 CA ASP A 162 1.578 -4.711 -1.929 1.00 0.00 C ATOM 608 C ASP A 162 0.149 -4.665 -1.406 1.00 0.00 C ATOM 609 O ASP A 162 -0.274 -5.540 -0.650 1.00 0.00 O ATOM 610 CB ASP A 162 2.437 -3.673 -1.206 1.00 0.00 C ATOM 611 CG ASP A 162 3.920 -3.891 -1.430 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.335 -5.062 -1.555 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.666 -2.890 -1.483 1.00 0.00 O ATOM 0 H ASP A 162 2.116 -3.645 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 162 1.990 -5.701 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.163 -2.676 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.225 -3.711 -0.138 1.00 0.00 H new ATOM 618 N ILE A 163 -0.595 -3.647 -1.823 1.00 0.00 N ATOM 619 CA ILE A 163 -1.981 -3.500 -1.402 1.00 0.00 C ATOM 620 C ILE A 163 -2.802 -4.699 -1.860 1.00 0.00 C ATOM 621 O ILE A 163 -3.482 -5.343 -1.060 1.00 0.00 O ATOM 622 CB ILE A 163 -2.613 -2.209 -1.960 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.742 -0.999 -1.618 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.019 -2.026 -1.407 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.594 -0.761 -0.132 1.00 0.00 C ATOM 0 H ILE A 163 -0.262 -2.914 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 163 -1.985 -3.442 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.676 -2.294 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.753 -1.138 -2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.172 -0.110 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.452 -1.110 -1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.637 -2.877 -1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -3.977 -1.959 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -0.964 0.112 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.576 -0.590 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.135 -1.634 0.332 1.00 0.00 H new ATOM 637 N ASP A 164 -2.720 -5.005 -3.153 1.00 0.00 N ATOM 638 CA ASP A 164 -3.444 -6.140 -3.717 1.00 0.00 C ATOM 639 C ASP A 164 -3.117 -7.414 -2.946 1.00 0.00 C ATOM 640 O ASP A 164 -3.964 -8.295 -2.791 1.00 0.00 O ATOM 641 CB ASP A 164 -3.090 -6.314 -5.196 1.00 0.00 C ATOM 642 CG ASP A 164 -4.229 -5.914 -6.114 1.00 0.00 C ATOM 643 OD1 ASP A 164 -5.127 -6.751 -6.344 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.222 -4.765 -6.602 1.00 0.00 O ATOM 0 H ASP A 164 -2.161 -4.484 -3.828 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.513 -5.945 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.211 -5.713 -5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.824 -7.354 -5.383 1.00 0.00 H new ATOM 649 N ALA A 165 -1.885 -7.495 -2.453 1.00 0.00 N ATOM 650 CA ALA A 165 -1.447 -8.651 -1.682 1.00 0.00 C ATOM 651 C ALA A 165 -2.043 -8.607 -0.283 1.00 0.00 C ATOM 652 O ALA A 165 -2.348 -9.642 0.310 1.00 0.00 O ATOM 653 CB ALA A 165 0.072 -8.699 -1.615 1.00 0.00 C ATOM 0 H ALA A 165 -1.174 -6.774 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.797 -9.556 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.383 -9.568 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.479 -8.771 -2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.444 -7.793 -1.137 1.00 0.00 H new ATOM 659 N PHE A 166 -2.216 -7.395 0.232 1.00 0.00 N ATOM 660 CA PHE A 166 -2.787 -7.196 1.555 1.00 0.00 C ATOM 661 C PHE A 166 -4.228 -7.693 1.592 1.00 0.00 C ATOM 662 O PHE A 166 -4.667 -8.285 2.578 1.00 0.00 O ATOM 663 CB PHE A 166 -2.734 -5.714 1.928 1.00 0.00 C ATOM 664 CG PHE A 166 -3.318 -5.416 3.276 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.689 -5.393 3.462 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.492 -5.158 4.357 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.229 -5.118 4.703 1.00 0.00 C ATOM 668 CE2 PHE A 166 -3.025 -4.882 5.601 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.395 -4.863 5.775 1.00 0.00 C ATOM 0 H PHE A 166 -1.967 -6.532 -0.251 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.204 -7.767 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.697 -5.379 1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.270 -5.138 1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.344 -5.592 2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.420 -5.173 4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.301 -5.102 4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.371 -4.681 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.814 -4.649 6.747 1.00 0.00 H new ATOM 679 N LEU A 167 -4.956 -7.445 0.509 1.00 0.00 N ATOM 680 CA LEU A 167 -6.346 -7.859 0.405 1.00 0.00 C ATOM 681 C LEU A 167 -6.455 -9.296 -0.101 1.00 0.00 C ATOM 682 O LEU A 167 -7.445 -9.981 0.159 1.00 0.00 O ATOM 683 CB LEU A 167 -7.096 -6.919 -0.537 1.00 0.00 C ATOM 684 CG LEU A 167 -7.310 -5.498 -0.008 1.00 0.00 C ATOM 685 CD1 LEU A 167 -7.909 -5.527 1.391 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.000 -4.725 -0.021 1.00 0.00 C ATOM 0 H LEU A 167 -4.602 -6.956 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.792 -7.813 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.548 -6.860 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.069 -7.356 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.015 -4.988 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -8.052 -4.507 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.870 -6.040 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.234 -6.055 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.169 -3.717 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.271 -5.233 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.620 -4.670 -1.041 1.00 0.00 H new ATOM 698 N ALA A 168 -5.435 -9.747 -0.826 1.00 0.00 N ATOM 699 CA ALA A 168 -5.423 -11.101 -1.371 1.00 0.00 C ATOM 700 C ALA A 168 -4.727 -12.076 -0.426 1.00 0.00 C ATOM 701 O ALA A 168 -4.119 -13.052 -0.866 1.00 0.00 O ATOM 702 CB ALA A 168 -4.747 -11.113 -2.734 1.00 0.00 C ATOM 0 H ALA A 168 -4.607 -9.195 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.457 -11.426 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.744 -12.129 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.291 -10.459 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.721 -10.760 -2.634 1.00 0.00 H new