USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 385 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 133 MET CE :methyl -159:sc= -0.101 (180deg=-0.688) USER MOD Single : A 137 ASN : amide:sc= -2.05! C(o=-2.1!,f=-7.7!) USER MOD Single : A 145 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ -155:sc= 0.253 (180deg=0) USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 78:sc= 0.854 USER MOD Single : A 176 SER OG : rot 180:sc= 0 USER MOD Single : A 177 GLN : amide:sc= 0.75 K(o=0.75,f=-6.7!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 2.440 -4.779 17.964 1.00 0.00 N ATOM 95 CA PHE A 128 2.550 -3.330 17.637 1.00 0.00 C ATOM 96 C PHE A 128 1.152 -2.751 17.410 1.00 0.00 C ATOM 97 O PHE A 128 0.356 -3.296 16.670 1.00 0.00 O ATOM 98 CB PHE A 128 3.384 -3.155 16.366 1.00 0.00 C ATOM 99 CG PHE A 128 4.721 -3.835 16.541 1.00 0.00 C ATOM 100 CD1 PHE A 128 5.762 -3.173 17.204 1.00 0.00 C ATOM 101 CD2 PHE A 128 4.919 -5.127 16.040 1.00 0.00 C ATOM 102 CE1 PHE A 128 7.001 -3.803 17.366 1.00 0.00 C ATOM 103 CE2 PHE A 128 6.159 -5.757 16.202 1.00 0.00 C ATOM 104 CZ PHE A 128 7.200 -5.096 16.865 1.00 0.00 C ATOM 0 HA PHE A 128 3.032 -2.808 18.464 1.00 0.00 H new ATOM 0 HB2 PHE A 128 2.857 -3.580 15.512 1.00 0.00 H new ATOM 0 HB3 PHE A 128 3.528 -2.095 16.156 1.00 0.00 H new ATOM 0 HD1 PHE A 128 5.609 -2.176 17.590 1.00 0.00 H new ATOM 0 HD2 PHE A 128 4.116 -5.637 15.529 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.804 -3.292 17.877 1.00 0.00 H new ATOM 0 HE2 PHE A 128 6.312 -6.754 15.815 1.00 0.00 H new ATOM 0 HZ PHE A 128 8.156 -5.583 16.990 1.00 0.00 H new ATOM 114 N GLU A 129 0.846 -1.650 18.041 1.00 0.00 N ATOM 115 CA GLU A 129 -0.500 -1.038 17.861 1.00 0.00 C ATOM 116 C GLU A 129 -0.347 0.457 17.570 1.00 0.00 C ATOM 117 O GLU A 129 0.624 1.076 17.957 1.00 0.00 O ATOM 118 CB GLU A 129 -1.321 -1.228 19.137 1.00 0.00 C ATOM 119 CG GLU A 129 -2.110 -2.536 19.046 1.00 0.00 C ATOM 120 CD GLU A 129 -2.589 -2.942 20.442 1.00 0.00 C ATOM 121 OE1 GLU A 129 -2.172 -2.308 21.397 1.00 0.00 O ATOM 122 OE2 GLU A 129 -3.364 -3.880 20.532 1.00 0.00 O ATOM 0 H GLU A 129 1.470 -1.149 18.673 1.00 0.00 H new ATOM 0 HA GLU A 129 -1.009 -1.520 17.026 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -0.663 -1.247 20.006 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -2.003 -0.388 19.272 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -2.963 -2.413 18.379 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -1.485 -3.322 18.622 1.00 0.00 H new ATOM 129 N PRO A 130 -1.331 1.043 16.873 1.00 0.00 N ATOM 130 CA PRO A 130 -1.313 2.469 16.525 1.00 0.00 C ATOM 131 C PRO A 130 -1.094 3.351 17.756 1.00 0.00 C ATOM 132 O PRO A 130 -1.784 3.231 18.748 1.00 0.00 O ATOM 133 CB PRO A 130 -2.706 2.714 15.948 1.00 0.00 C ATOM 134 CG PRO A 130 -3.560 1.659 16.564 1.00 0.00 C ATOM 135 CD PRO A 130 -2.677 0.456 16.744 1.00 0.00 C ATOM 0 HA PRO A 130 -0.503 2.712 15.837 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.068 3.712 16.196 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.704 2.637 14.861 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.962 1.993 17.520 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.411 1.425 15.925 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -2.953 -0.117 17.629 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.741 -0.222 15.893 1.00 0.00 H new ATOM 143 N GLY A 131 -0.139 4.239 17.700 1.00 0.00 N ATOM 144 CA GLY A 131 0.122 5.127 18.868 1.00 0.00 C ATOM 145 C GLY A 131 1.075 4.426 19.839 1.00 0.00 C ATOM 146 O GLY A 131 1.289 4.877 20.946 1.00 0.00 O ATOM 0 H GLY A 131 0.471 4.388 16.896 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.556 6.069 18.532 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -0.814 5.368 19.371 1.00 0.00 H new ATOM 150 N GLU A 132 1.649 3.327 19.432 1.00 0.00 N ATOM 151 CA GLU A 132 2.587 2.600 20.333 1.00 0.00 C ATOM 152 C GLU A 132 4.026 3.011 20.009 1.00 0.00 C ATOM 153 O GLU A 132 4.459 2.949 18.875 1.00 0.00 O ATOM 154 CB GLU A 132 2.428 1.093 20.124 1.00 0.00 C ATOM 155 CG GLU A 132 1.059 0.648 20.643 1.00 0.00 C ATOM 156 CD GLU A 132 0.935 1.003 22.125 1.00 0.00 C ATOM 157 OE1 GLU A 132 1.959 1.235 22.747 1.00 0.00 O ATOM 158 OE2 GLU A 132 -0.182 1.036 22.615 1.00 0.00 O ATOM 0 H GLU A 132 1.509 2.902 18.516 1.00 0.00 H new ATOM 0 HA GLU A 132 2.362 2.849 21.370 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.524 0.850 19.066 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.219 0.557 20.648 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.267 1.135 20.074 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.937 -0.426 20.504 1.00 0.00 H new ATOM 165 N MET A 133 4.770 3.429 20.996 1.00 0.00 N ATOM 166 CA MET A 133 6.179 3.843 20.744 1.00 0.00 C ATOM 167 C MET A 133 6.985 2.639 20.253 1.00 0.00 C ATOM 168 O MET A 133 6.895 1.556 20.796 1.00 0.00 O ATOM 169 CB MET A 133 6.794 4.374 22.039 1.00 0.00 C ATOM 170 CG MET A 133 8.217 4.866 21.763 1.00 0.00 C ATOM 171 SD MET A 133 8.863 5.699 23.235 1.00 0.00 S ATOM 172 CE MET A 133 9.046 7.343 22.503 1.00 0.00 C ATOM 0 H MET A 133 4.463 3.502 21.966 1.00 0.00 H new ATOM 0 HA MET A 133 6.197 4.626 19.986 1.00 0.00 H new ATOM 0 HB2 MET A 133 6.187 5.188 22.436 1.00 0.00 H new ATOM 0 HB3 MET A 133 6.809 3.589 22.796 1.00 0.00 H new ATOM 0 HG2 MET A 133 8.858 4.026 21.496 1.00 0.00 H new ATOM 0 HG3 MET A 133 8.219 5.550 20.915 1.00 0.00 H new ATOM 0 HE1 MET A 133 9.759 7.924 23.088 1.00 0.00 H new ATOM 0 HE2 MET A 133 9.409 7.247 21.480 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.081 7.849 22.500 1.00 0.00 H new ATOM 182 N VAL A 134 7.774 2.819 19.228 1.00 0.00 N ATOM 183 CA VAL A 134 8.584 1.683 18.705 1.00 0.00 C ATOM 184 C VAL A 134 10.065 2.070 18.710 1.00 0.00 C ATOM 185 O VAL A 134 10.429 3.167 19.084 1.00 0.00 O ATOM 186 CB VAL A 134 8.146 1.362 17.274 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.575 -0.061 16.913 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.624 1.478 17.168 1.00 0.00 C ATOM 0 H VAL A 134 7.892 3.702 18.731 1.00 0.00 H new ATOM 0 HA VAL A 134 8.434 0.807 19.336 1.00 0.00 H new ATOM 0 HB VAL A 134 8.614 2.066 16.586 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.262 -0.288 15.894 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.659 -0.144 16.987 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.110 -0.767 17.601 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.312 1.249 16.149 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.157 0.775 17.857 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.318 2.493 17.422 1.00 0.00 H new ATOM 198 N ARG A 135 10.922 1.176 18.298 1.00 0.00 N ATOM 199 CA ARG A 135 12.379 1.490 18.278 1.00 0.00 C ATOM 200 C ARG A 135 12.984 0.996 16.964 1.00 0.00 C ATOM 201 O ARG A 135 12.738 -0.114 16.536 1.00 0.00 O ATOM 202 CB ARG A 135 13.067 0.790 19.452 1.00 0.00 C ATOM 203 CG ARG A 135 14.545 1.185 19.487 1.00 0.00 C ATOM 204 CD ARG A 135 15.277 0.333 20.525 1.00 0.00 C ATOM 205 NE ARG A 135 16.690 0.790 20.637 1.00 0.00 N ATOM 206 CZ ARG A 135 17.654 0.056 20.153 1.00 0.00 C ATOM 207 NH1 ARG A 135 17.693 -0.211 18.876 1.00 0.00 N ATOM 208 NH2 ARG A 135 18.580 -0.411 20.946 1.00 0.00 N ATOM 0 H ARG A 135 10.676 0.241 17.974 1.00 0.00 H new ATOM 0 HA ARG A 135 12.523 2.567 18.364 1.00 0.00 H new ATOM 0 HB2 ARG A 135 12.583 1.067 20.389 1.00 0.00 H new ATOM 0 HB3 ARG A 135 12.971 -0.291 19.352 1.00 0.00 H new ATOM 0 HG2 ARG A 135 14.993 1.044 18.504 1.00 0.00 H new ATOM 0 HG3 ARG A 135 14.644 2.242 19.734 1.00 0.00 H new ATOM 0 HD2 ARG A 135 14.780 0.413 21.492 1.00 0.00 H new ATOM 0 HD3 ARG A 135 15.245 -0.718 20.236 1.00 0.00 H new ATOM 0 HE ARG A 135 16.904 1.677 21.092 1.00 0.00 H new ATOM 0 HH11 ARG A 135 16.970 0.154 18.256 1.00 0.00 H new ATOM 0 HH12 ARG A 135 18.447 -0.785 18.498 1.00 0.00 H new ATOM 0 HH21 ARG A 135 18.550 -0.202 21.944 1.00 0.00 H new ATOM 0 HH22 ARG A 135 19.334 -0.985 20.568 1.00 0.00 H new ATOM 222 N VAL A 136 13.773 1.810 16.318 1.00 0.00 N ATOM 223 CA VAL A 136 14.390 1.382 15.031 1.00 0.00 C ATOM 224 C VAL A 136 15.873 1.080 15.249 1.00 0.00 C ATOM 225 O VAL A 136 16.592 1.851 15.852 1.00 0.00 O ATOM 226 CB VAL A 136 14.244 2.501 13.998 1.00 0.00 C ATOM 227 CG1 VAL A 136 14.904 2.074 12.685 1.00 0.00 C ATOM 228 CG2 VAL A 136 12.759 2.779 13.755 1.00 0.00 C ATOM 0 H VAL A 136 14.017 2.752 16.625 1.00 0.00 H new ATOM 0 HA VAL A 136 13.887 0.485 14.669 1.00 0.00 H new ATOM 0 HB VAL A 136 14.728 3.404 14.370 1.00 0.00 H new ATOM 0 HG11 VAL A 136 14.800 2.871 11.949 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.962 1.875 12.857 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.421 1.171 12.312 1.00 0.00 H new ATOM 0 HG21 VAL A 136 12.654 3.576 13.019 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.276 1.876 13.383 1.00 0.00 H new ATOM 0 HG23 VAL A 136 12.288 3.084 14.690 1.00 0.00 H new ATOM 238 N ASN A 137 16.337 -0.039 14.764 1.00 0.00 N ATOM 239 CA ASN A 137 17.774 -0.392 14.944 1.00 0.00 C ATOM 240 C ASN A 137 18.371 -0.800 13.596 1.00 0.00 C ATOM 241 O ASN A 137 19.402 -1.441 13.531 1.00 0.00 O ATOM 242 CB ASN A 137 17.894 -1.557 15.929 1.00 0.00 C ATOM 243 CG ASN A 137 17.156 -2.775 15.371 1.00 0.00 C ATOM 244 OD1 ASN A 137 17.103 -2.971 14.173 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.580 -3.607 16.195 1.00 0.00 N ATOM 0 H ASN A 137 15.783 -0.724 14.251 1.00 0.00 H new ATOM 0 HA ASN A 137 18.314 0.471 15.335 1.00 0.00 H new ATOM 0 HB2 ASN A 137 18.944 -1.799 16.096 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.474 -1.275 16.895 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.085 -4.422 15.833 1.00 0.00 H new ATOM 0 HD22 ASN A 137 16.625 -3.442 17.201 1.00 0.00 H new ATOM 252 N ASP A 138 17.732 -0.434 12.518 1.00 0.00 N ATOM 253 CA ASP A 138 18.264 -0.803 11.176 1.00 0.00 C ATOM 254 C ASP A 138 18.208 0.417 10.254 1.00 0.00 C ATOM 255 O ASP A 138 17.293 1.213 10.316 1.00 0.00 O ATOM 256 CB ASP A 138 17.416 -1.931 10.583 1.00 0.00 C ATOM 257 CG ASP A 138 18.029 -2.386 9.257 1.00 0.00 C ATOM 258 OD1 ASP A 138 18.925 -3.213 9.294 1.00 0.00 O ATOM 259 OD2 ASP A 138 17.592 -1.900 8.226 1.00 0.00 O ATOM 0 H ASP A 138 16.865 0.104 12.509 1.00 0.00 H new ATOM 0 HA ASP A 138 19.296 -1.139 11.273 1.00 0.00 H new ATOM 0 HB2 ASP A 138 17.367 -2.768 11.279 1.00 0.00 H new ATOM 0 HB3 ASP A 138 16.394 -1.587 10.425 1.00 0.00 H new ATOM 264 N GLY A 139 19.181 0.570 9.397 1.00 0.00 N ATOM 265 CA GLY A 139 19.183 1.738 8.472 1.00 0.00 C ATOM 266 C GLY A 139 19.504 3.011 9.258 1.00 0.00 C ATOM 267 O GLY A 139 19.663 2.984 10.462 1.00 0.00 O ATOM 0 H GLY A 139 19.974 -0.064 9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.920 1.589 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 139 18.212 1.833 7.987 1.00 0.00 H new ATOM 271 N PRO A 140 19.602 4.149 8.555 1.00 0.00 N ATOM 272 CA PRO A 140 19.906 5.442 9.180 1.00 0.00 C ATOM 273 C PRO A 140 18.982 5.730 10.367 1.00 0.00 C ATOM 274 O PRO A 140 19.292 6.529 11.228 1.00 0.00 O ATOM 275 CB PRO A 140 19.649 6.450 8.061 1.00 0.00 C ATOM 276 CG PRO A 140 18.673 5.771 7.160 1.00 0.00 C ATOM 277 CD PRO A 140 18.995 4.305 7.222 1.00 0.00 C ATOM 0 HA PRO A 140 20.920 5.476 9.577 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.244 7.383 8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.569 6.699 7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.649 5.959 7.483 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.759 6.146 6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 140 18.101 3.691 7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.683 4.010 6.429 1.00 0.00 H new ATOM 285 N PHE A 141 17.849 5.085 10.418 1.00 0.00 N ATOM 286 CA PHE A 141 16.907 5.322 11.548 1.00 0.00 C ATOM 287 C PHE A 141 17.268 4.400 12.714 1.00 0.00 C ATOM 288 O PHE A 141 16.510 4.242 13.651 1.00 0.00 O ATOM 289 CB PHE A 141 15.477 5.029 11.090 1.00 0.00 C ATOM 290 CG PHE A 141 15.119 5.940 9.942 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.635 7.230 10.194 1.00 0.00 C ATOM 292 CD2 PHE A 141 15.272 5.497 8.622 1.00 0.00 C ATOM 293 CE1 PHE A 141 14.304 8.075 9.128 1.00 0.00 C ATOM 294 CE2 PHE A 141 14.940 6.342 7.557 1.00 0.00 C ATOM 295 CZ PHE A 141 14.456 7.630 7.809 1.00 0.00 C ATOM 0 H PHE A 141 17.535 4.404 9.726 1.00 0.00 H new ATOM 0 HA PHE A 141 16.980 6.361 11.870 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.389 3.987 10.782 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.782 5.177 11.916 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.517 7.573 11.211 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.646 4.503 8.426 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.932 9.070 9.323 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.058 5.999 6.540 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.200 8.281 6.986 1.00 0.00 H new ATOM 305 N ALA A 142 18.419 3.788 12.664 1.00 0.00 N ATOM 306 CA ALA A 142 18.827 2.876 13.769 1.00 0.00 C ATOM 307 C ALA A 142 19.114 3.694 15.030 1.00 0.00 C ATOM 308 O ALA A 142 19.633 4.791 14.965 1.00 0.00 O ATOM 309 CB ALA A 142 20.088 2.112 13.361 1.00 0.00 C ATOM 0 H ALA A 142 19.095 3.880 11.905 1.00 0.00 H new ATOM 0 HA ALA A 142 18.022 2.170 13.970 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.387 1.445 14.169 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.885 1.527 12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.892 2.819 13.158 1.00 0.00 H new ATOM 315 N ASP A 143 18.781 3.170 16.178 1.00 0.00 N ATOM 316 CA ASP A 143 19.034 3.917 17.442 1.00 0.00 C ATOM 317 C ASP A 143 18.164 5.174 17.477 1.00 0.00 C ATOM 318 O ASP A 143 18.642 6.265 17.721 1.00 0.00 O ATOM 319 CB ASP A 143 20.509 4.316 17.510 1.00 0.00 C ATOM 320 CG ASP A 143 21.384 3.081 17.282 1.00 0.00 C ATOM 321 OD1 ASP A 143 20.874 1.982 17.433 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.548 3.254 16.961 1.00 0.00 O ATOM 0 H ASP A 143 18.344 2.256 16.295 1.00 0.00 H new ATOM 0 HA ASP A 143 18.788 3.283 18.294 1.00 0.00 H new ATOM 0 HB2 ASP A 143 20.727 5.073 16.757 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.732 4.759 18.481 1.00 0.00 H new ATOM 327 N PHE A 144 16.889 5.032 17.237 1.00 0.00 N ATOM 328 CA PHE A 144 15.989 6.221 17.259 1.00 0.00 C ATOM 329 C PHE A 144 14.629 5.820 17.833 1.00 0.00 C ATOM 330 O PHE A 144 14.166 4.713 17.642 1.00 0.00 O ATOM 331 CB PHE A 144 15.807 6.750 15.835 1.00 0.00 C ATOM 332 CG PHE A 144 17.028 7.543 15.433 1.00 0.00 C ATOM 333 CD1 PHE A 144 17.151 8.883 15.819 1.00 0.00 C ATOM 334 CD2 PHE A 144 18.037 6.938 14.673 1.00 0.00 C ATOM 335 CE1 PHE A 144 18.282 9.618 15.445 1.00 0.00 C ATOM 336 CE2 PHE A 144 19.168 7.674 14.300 1.00 0.00 C ATOM 337 CZ PHE A 144 19.290 9.014 14.687 1.00 0.00 C ATOM 0 H PHE A 144 16.431 4.145 17.027 1.00 0.00 H new ATOM 0 HA PHE A 144 16.430 7.000 17.881 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.655 5.921 15.144 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.918 7.378 15.780 1.00 0.00 H new ATOM 0 HD1 PHE A 144 16.373 9.350 16.405 1.00 0.00 H new ATOM 0 HD2 PHE A 144 17.943 5.904 14.375 1.00 0.00 H new ATOM 0 HE1 PHE A 144 18.376 10.652 15.742 1.00 0.00 H new ATOM 0 HE2 PHE A 144 19.946 7.208 13.714 1.00 0.00 H new ATOM 0 HZ PHE A 144 20.163 9.581 14.400 1.00 0.00 H new ATOM 347 N ASN A 145 13.986 6.711 18.538 1.00 0.00 N ATOM 348 CA ASN A 145 12.656 6.377 19.124 1.00 0.00 C ATOM 349 C ASN A 145 11.548 6.956 18.242 1.00 0.00 C ATOM 350 O ASN A 145 11.664 8.047 17.719 1.00 0.00 O ATOM 351 CB ASN A 145 12.554 6.974 20.529 1.00 0.00 C ATOM 352 CG ASN A 145 13.678 6.415 21.405 1.00 0.00 C ATOM 353 OD1 ASN A 145 14.008 5.249 21.319 1.00 0.00 O ATOM 354 ND2 ASN A 145 14.284 7.203 22.250 1.00 0.00 N ATOM 0 H ASN A 145 14.323 7.654 18.733 1.00 0.00 H new ATOM 0 HA ASN A 145 12.546 5.294 19.180 1.00 0.00 H new ATOM 0 HB2 ASN A 145 12.623 8.061 20.480 1.00 0.00 H new ATOM 0 HB3 ASN A 145 11.585 6.736 20.967 1.00 0.00 H new ATOM 0 HD21 ASN A 145 15.034 6.840 22.838 1.00 0.00 H new ATOM 0 HD22 ASN A 145 14.007 8.182 22.323 1.00 0.00 H new ATOM 361 N GLY A 146 10.474 6.234 18.074 1.00 0.00 N ATOM 362 CA GLY A 146 9.358 6.742 17.226 1.00 0.00 C ATOM 363 C GLY A 146 8.063 6.020 17.605 1.00 0.00 C ATOM 364 O GLY A 146 8.021 5.257 18.550 1.00 0.00 O ATOM 0 H GLY A 146 10.321 5.314 18.487 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.242 7.817 17.364 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.584 6.578 16.172 1.00 0.00 H new ATOM 368 N VAL A 147 7.007 6.254 16.877 1.00 0.00 N ATOM 369 CA VAL A 147 5.717 5.579 17.199 1.00 0.00 C ATOM 370 C VAL A 147 5.117 4.990 15.921 1.00 0.00 C ATOM 371 O VAL A 147 5.349 5.476 14.832 1.00 0.00 O ATOM 372 CB VAL A 147 4.744 6.598 17.796 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.466 5.882 18.239 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.394 7.277 19.003 1.00 0.00 C ATOM 0 H VAL A 147 6.980 6.882 16.074 1.00 0.00 H new ATOM 0 HA VAL A 147 5.894 4.780 17.919 1.00 0.00 H new ATOM 0 HB VAL A 147 4.498 7.350 17.046 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.772 6.607 18.665 1.00 0.00 H new ATOM 0 HG12 VAL A 147 3.003 5.398 17.379 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.711 5.131 18.990 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.701 8.003 19.429 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.640 6.526 19.754 1.00 0.00 H new ATOM 0 HG23 VAL A 147 6.305 7.786 18.687 1.00 0.00 H new ATOM 384 N VAL A 148 4.345 3.945 16.045 1.00 0.00 N ATOM 385 CA VAL A 148 3.730 3.326 14.837 1.00 0.00 C ATOM 386 C VAL A 148 2.316 3.880 14.643 1.00 0.00 C ATOM 387 O VAL A 148 1.453 3.711 15.481 1.00 0.00 O ATOM 388 CB VAL A 148 3.663 1.807 15.020 1.00 0.00 C ATOM 389 CG1 VAL A 148 3.096 1.484 16.404 1.00 0.00 C ATOM 390 CG2 VAL A 148 2.760 1.200 13.945 1.00 0.00 C ATOM 0 H VAL A 148 4.114 3.494 16.930 1.00 0.00 H new ATOM 0 HA VAL A 148 4.335 3.560 13.961 1.00 0.00 H new ATOM 0 HB VAL A 148 4.665 1.388 14.930 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.048 0.403 16.534 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.741 1.914 17.171 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.095 1.905 16.494 1.00 0.00 H new ATOM 0 HG21 VAL A 148 2.714 0.119 14.077 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.758 1.620 14.032 1.00 0.00 H new ATOM 0 HG23 VAL A 148 3.164 1.428 12.959 1.00 0.00 H new ATOM 400 N GLU A 149 2.075 4.542 13.545 1.00 0.00 N ATOM 401 CA GLU A 149 0.718 5.106 13.297 1.00 0.00 C ATOM 402 C GLU A 149 -0.245 3.972 12.938 1.00 0.00 C ATOM 403 O GLU A 149 -1.371 3.933 13.391 1.00 0.00 O ATOM 404 CB GLU A 149 0.783 6.106 12.141 1.00 0.00 C ATOM 405 CG GLU A 149 1.705 7.265 12.522 1.00 0.00 C ATOM 406 CD GLU A 149 1.062 8.083 13.644 1.00 0.00 C ATOM 407 OE1 GLU A 149 -0.122 7.902 13.878 1.00 0.00 O ATOM 408 OE2 GLU A 149 1.763 8.876 14.250 1.00 0.00 O ATOM 0 H GLU A 149 2.759 4.717 12.809 1.00 0.00 H new ATOM 0 HA GLU A 149 0.365 5.614 14.195 1.00 0.00 H new ATOM 0 HB2 GLU A 149 1.152 5.614 11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -0.215 6.481 11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 149 2.673 6.882 12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 149 1.887 7.899 11.654 1.00 0.00 H new ATOM 415 N GLU A 150 0.191 3.049 12.125 1.00 0.00 N ATOM 416 CA GLU A 150 -0.699 1.918 11.736 1.00 0.00 C ATOM 417 C GLU A 150 0.142 0.659 11.523 1.00 0.00 C ATOM 418 O GLU A 150 1.344 0.724 11.359 1.00 0.00 O ATOM 419 CB GLU A 150 -1.432 2.268 10.440 1.00 0.00 C ATOM 420 CG GLU A 150 -2.300 3.508 10.664 1.00 0.00 C ATOM 421 CD GLU A 150 -3.104 3.805 9.396 1.00 0.00 C ATOM 422 OE1 GLU A 150 -2.834 3.175 8.386 1.00 0.00 O ATOM 423 OE2 GLU A 150 -3.977 4.655 9.456 1.00 0.00 O ATOM 0 H GLU A 150 1.124 3.029 11.714 1.00 0.00 H new ATOM 0 HA GLU A 150 -1.427 1.739 12.527 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -0.713 2.453 9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -2.052 1.430 10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -2.974 3.346 11.505 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -1.673 4.363 10.918 1.00 0.00 H new ATOM 430 N VAL A 151 -0.480 -0.489 11.522 1.00 0.00 N ATOM 431 CA VAL A 151 0.286 -1.751 11.319 1.00 0.00 C ATOM 432 C VAL A 151 -0.375 -2.576 10.214 1.00 0.00 C ATOM 433 O VAL A 151 -1.562 -2.475 9.974 1.00 0.00 O ATOM 434 CB VAL A 151 0.295 -2.556 12.620 1.00 0.00 C ATOM 435 CG1 VAL A 151 1.134 -3.821 12.429 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.900 -1.708 13.741 1.00 0.00 C ATOM 0 H VAL A 151 -1.485 -0.607 11.653 1.00 0.00 H new ATOM 0 HA VAL A 151 1.310 -1.513 11.032 1.00 0.00 H new ATOM 0 HB VAL A 151 -0.726 -2.832 12.884 1.00 0.00 H new ATOM 0 HG11 VAL A 151 1.142 -4.396 13.355 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.704 -4.425 11.630 1.00 0.00 H new ATOM 0 HG13 VAL A 151 2.155 -3.544 12.165 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.906 -2.281 14.668 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.921 -1.432 13.478 1.00 0.00 H new ATOM 0 HG23 VAL A 151 0.304 -0.806 13.877 1.00 0.00 H new ATOM 446 N ASP A 152 0.384 -3.394 9.537 1.00 0.00 N ATOM 447 CA ASP A 152 -0.201 -4.226 8.448 1.00 0.00 C ATOM 448 C ASP A 152 0.191 -5.690 8.659 1.00 0.00 C ATOM 449 O ASP A 152 1.269 -6.113 8.290 1.00 0.00 O ATOM 450 CB ASP A 152 0.333 -3.745 7.097 1.00 0.00 C ATOM 451 CG ASP A 152 -0.207 -2.344 6.805 1.00 0.00 C ATOM 452 OD1 ASP A 152 -1.110 -1.919 7.507 1.00 0.00 O ATOM 453 OD2 ASP A 152 0.291 -1.719 5.883 1.00 0.00 O ATOM 0 H ASP A 152 1.384 -3.522 9.691 1.00 0.00 H new ATOM 0 HA ASP A 152 -1.287 -4.134 8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.423 -3.731 7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.031 -4.434 6.308 1.00 0.00 H new ATOM 458 N TYR A 153 -0.674 -6.467 9.251 1.00 0.00 N ATOM 459 CA TYR A 153 -0.349 -7.902 9.485 1.00 0.00 C ATOM 460 C TYR A 153 -0.250 -8.628 8.141 1.00 0.00 C ATOM 461 O TYR A 153 0.625 -9.443 7.929 1.00 0.00 O ATOM 462 CB TYR A 153 -1.452 -8.542 10.331 1.00 0.00 C ATOM 463 CG TYR A 153 -1.522 -7.849 11.671 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.555 -8.114 12.647 1.00 0.00 C ATOM 465 CD2 TYR A 153 -2.555 -6.941 11.937 1.00 0.00 C ATOM 466 CE1 TYR A 153 -0.620 -7.471 13.890 1.00 0.00 C ATOM 467 CE2 TYR A 153 -2.620 -6.299 13.178 1.00 0.00 C ATOM 468 CZ TYR A 153 -1.652 -6.564 14.155 1.00 0.00 C ATOM 469 OH TYR A 153 -1.717 -5.930 15.379 1.00 0.00 O ATOM 0 H TYR A 153 -1.592 -6.170 9.583 1.00 0.00 H new ATOM 0 HA TYR A 153 0.603 -7.979 10.010 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.411 -8.464 9.818 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -1.250 -9.604 10.469 1.00 0.00 H new ATOM 0 HD1 TYR A 153 0.241 -8.814 12.442 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -3.301 -6.737 11.184 1.00 0.00 H new ATOM 0 HE1 TYR A 153 0.126 -7.675 14.643 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -3.417 -5.599 13.383 1.00 0.00 H new ATOM 0 HH TYR A 153 -2.494 -5.333 15.397 1.00 0.00 H new ATOM 479 N GLU A 154 -1.141 -8.339 7.233 1.00 0.00 N ATOM 480 CA GLU A 154 -1.096 -9.013 5.905 1.00 0.00 C ATOM 481 C GLU A 154 0.205 -8.646 5.190 1.00 0.00 C ATOM 482 O GLU A 154 0.832 -9.472 4.558 1.00 0.00 O ATOM 483 CB GLU A 154 -2.288 -8.557 5.061 1.00 0.00 C ATOM 484 CG GLU A 154 -3.587 -9.046 5.705 1.00 0.00 C ATOM 485 CD GLU A 154 -4.771 -8.679 4.807 1.00 0.00 C ATOM 486 OE1 GLU A 154 -4.560 -7.955 3.849 1.00 0.00 O ATOM 487 OE2 GLU A 154 -5.868 -9.130 5.094 1.00 0.00 O ATOM 0 H GLU A 154 -1.898 -7.666 7.353 1.00 0.00 H new ATOM 0 HA GLU A 154 -1.141 -10.093 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -2.296 -7.470 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -2.201 -8.950 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -3.549 -10.125 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -3.710 -8.595 6.690 1.00 0.00 H new ATOM 494 N LYS A 155 0.616 -7.410 5.284 1.00 0.00 N ATOM 495 CA LYS A 155 1.877 -6.991 4.610 1.00 0.00 C ATOM 496 C LYS A 155 3.047 -7.106 5.592 1.00 0.00 C ATOM 497 O LYS A 155 4.180 -6.824 5.255 1.00 0.00 O ATOM 498 CB LYS A 155 1.746 -5.540 4.141 1.00 0.00 C ATOM 499 CG LYS A 155 0.634 -5.440 3.097 1.00 0.00 C ATOM 500 CD LYS A 155 0.562 -4.007 2.565 1.00 0.00 C ATOM 501 CE LYS A 155 -0.611 -3.882 1.590 1.00 0.00 C ATOM 502 NZ LYS A 155 -0.419 -2.680 0.732 1.00 0.00 N ATOM 0 H LYS A 155 0.133 -6.673 5.798 1.00 0.00 H new ATOM 0 HA LYS A 155 2.060 -7.637 3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 155 1.523 -4.892 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 155 2.690 -5.197 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 155 0.825 -6.134 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -0.321 -5.724 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 155 0.438 -3.307 3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.494 -3.747 2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -0.680 -4.776 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -1.548 -3.803 2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -1.216 -2.595 0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -0.374 -1.830 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.468 -2.774 0.196 1.00 0.00 H new ATOM 516 N SER A 156 2.783 -7.515 6.803 1.00 0.00 N ATOM 517 CA SER A 156 3.882 -7.644 7.801 1.00 0.00 C ATOM 518 C SER A 156 4.759 -6.391 7.757 1.00 0.00 C ATOM 519 O SER A 156 5.964 -6.470 7.628 1.00 0.00 O ATOM 520 CB SER A 156 4.731 -8.873 7.469 1.00 0.00 C ATOM 521 OG SER A 156 4.094 -10.037 7.975 1.00 0.00 O ATOM 0 H SER A 156 1.855 -7.765 7.144 1.00 0.00 H new ATOM 0 HA SER A 156 3.457 -7.755 8.798 1.00 0.00 H new ATOM 0 HB2 SER A 156 4.863 -8.957 6.390 1.00 0.00 H new ATOM 0 HB3 SER A 156 5.725 -8.771 7.905 1.00 0.00 H new ATOM 0 HG SER A 156 4.636 -10.825 7.762 1.00 0.00 H new ATOM 527 N ARG A 157 4.163 -5.235 7.864 1.00 0.00 N ATOM 528 CA ARG A 157 4.961 -3.978 7.829 1.00 0.00 C ATOM 529 C ARG A 157 4.435 -3.011 8.891 1.00 0.00 C ATOM 530 O ARG A 157 3.245 -2.899 9.107 1.00 0.00 O ATOM 531 CB ARG A 157 4.837 -3.334 6.446 1.00 0.00 C ATOM 532 CG ARG A 157 5.935 -2.283 6.272 1.00 0.00 C ATOM 533 CD ARG A 157 7.262 -2.977 5.961 1.00 0.00 C ATOM 534 NE ARG A 157 8.331 -1.954 5.795 1.00 0.00 N ATOM 535 CZ ARG A 157 9.283 -2.140 4.921 1.00 0.00 C ATOM 536 NH1 ARG A 157 9.017 -2.081 3.644 1.00 0.00 N ATOM 537 NH2 ARG A 157 10.499 -2.384 5.323 1.00 0.00 N ATOM 0 H ARG A 157 3.157 -5.107 7.974 1.00 0.00 H new ATOM 0 HA ARG A 157 6.008 -4.206 8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 157 4.921 -4.095 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 157 3.856 -2.872 6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 157 5.673 -1.598 5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.029 -1.686 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.523 -3.664 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.169 -3.572 5.052 1.00 0.00 H new ATOM 0 HE ARG A 157 8.320 -1.108 6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.066 -1.890 3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.760 -2.226 2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.707 -2.430 6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.242 -2.529 4.640 1.00 0.00 H new ATOM 551 N LEU A 158 5.313 -2.312 9.558 1.00 0.00 N ATOM 552 CA LEU A 158 4.860 -1.354 10.605 1.00 0.00 C ATOM 553 C LEU A 158 5.076 0.079 10.117 1.00 0.00 C ATOM 554 O LEU A 158 6.094 0.402 9.539 1.00 0.00 O ATOM 555 CB LEU A 158 5.665 -1.582 11.886 1.00 0.00 C ATOM 556 CG LEU A 158 5.478 -3.025 12.358 1.00 0.00 C ATOM 557 CD1 LEU A 158 6.107 -3.194 13.742 1.00 0.00 C ATOM 558 CD2 LEU A 158 3.984 -3.346 12.434 1.00 0.00 C ATOM 0 H LEU A 158 6.323 -2.363 9.423 1.00 0.00 H new ATOM 0 HA LEU A 158 3.801 -1.512 10.806 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.721 -1.382 11.705 1.00 0.00 H new ATOM 0 HB3 LEU A 158 5.338 -0.889 12.662 1.00 0.00 H new ATOM 0 HG LEU A 158 5.960 -3.704 11.655 1.00 0.00 H new ATOM 0 HD11 LEU A 158 5.974 -4.222 14.079 1.00 0.00 H new ATOM 0 HD12 LEU A 158 7.171 -2.964 13.689 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.625 -2.516 14.446 1.00 0.00 H new ATOM 0 HD21 LEU A 158 3.849 -4.374 12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 158 3.501 -2.668 13.138 1.00 0.00 H new ATOM 0 HD23 LEU A 158 3.535 -3.225 11.448 1.00 0.00 H new ATOM 570 N LYS A 159 4.124 0.943 10.347 1.00 0.00 N ATOM 571 CA LYS A 159 4.277 2.355 9.896 1.00 0.00 C ATOM 572 C LYS A 159 4.711 3.222 11.080 1.00 0.00 C ATOM 573 O LYS A 159 3.900 3.662 11.871 1.00 0.00 O ATOM 574 CB LYS A 159 2.939 2.865 9.355 1.00 0.00 C ATOM 575 CG LYS A 159 2.523 2.021 8.148 1.00 0.00 C ATOM 576 CD LYS A 159 1.276 2.630 7.506 1.00 0.00 C ATOM 577 CE LYS A 159 0.789 1.720 6.375 1.00 0.00 C ATOM 578 NZ LYS A 159 -0.467 1.037 6.793 1.00 0.00 N ATOM 0 H LYS A 159 3.249 0.732 10.827 1.00 0.00 H new ATOM 0 HA LYS A 159 5.031 2.407 9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 159 2.176 2.810 10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 159 3.026 3.913 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 159 3.335 1.979 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 159 2.321 0.996 8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 159 0.492 2.751 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 159 1.502 3.623 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 159 0.614 2.306 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 159 1.554 0.982 6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -0.572 0.149 6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -0.427 0.829 7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -1.280 1.655 6.598 1.00 0.00 H new ATOM 592 N VAL A 160 5.986 3.471 11.210 1.00 0.00 N ATOM 593 CA VAL A 160 6.470 4.307 12.345 1.00 0.00 C ATOM 594 C VAL A 160 7.281 5.485 11.802 1.00 0.00 C ATOM 595 O VAL A 160 8.052 5.345 10.873 1.00 0.00 O ATOM 596 CB VAL A 160 7.354 3.459 13.262 1.00 0.00 C ATOM 597 CG1 VAL A 160 7.741 4.278 14.495 1.00 0.00 C ATOM 598 CG2 VAL A 160 6.585 2.210 13.698 1.00 0.00 C ATOM 0 H VAL A 160 6.713 3.132 10.580 1.00 0.00 H new ATOM 0 HA VAL A 160 5.616 4.683 12.909 1.00 0.00 H new ATOM 0 HB VAL A 160 8.255 3.161 12.726 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.371 3.675 15.149 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.288 5.168 14.184 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.840 4.575 15.032 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.214 1.605 14.351 1.00 0.00 H new ATOM 0 HG22 VAL A 160 5.684 2.506 14.235 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.309 1.627 12.819 1.00 0.00 H new ATOM 608 N SER A 161 7.113 6.645 12.375 1.00 0.00 N ATOM 609 CA SER A 161 7.876 7.832 11.893 1.00 0.00 C ATOM 610 C SER A 161 8.936 8.210 12.928 1.00 0.00 C ATOM 611 O SER A 161 8.750 8.033 14.115 1.00 0.00 O ATOM 612 CB SER A 161 6.916 9.007 11.692 1.00 0.00 C ATOM 613 OG SER A 161 6.220 9.262 12.902 1.00 0.00 O ATOM 0 H SER A 161 6.481 6.823 13.156 1.00 0.00 H new ATOM 0 HA SER A 161 8.361 7.594 10.947 1.00 0.00 H new ATOM 0 HB2 SER A 161 7.470 9.894 11.385 1.00 0.00 H new ATOM 0 HB3 SER A 161 6.209 8.780 10.894 1.00 0.00 H new ATOM 0 HG SER A 161 5.607 10.015 12.774 1.00 0.00 H new ATOM 619 N VAL A 162 10.050 8.731 12.489 1.00 0.00 N ATOM 620 CA VAL A 162 11.121 9.119 13.449 1.00 0.00 C ATOM 621 C VAL A 162 11.361 10.628 13.363 1.00 0.00 C ATOM 622 O VAL A 162 11.481 11.187 12.291 1.00 0.00 O ATOM 623 CB VAL A 162 12.413 8.378 13.101 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.384 8.463 14.281 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.097 6.910 12.808 1.00 0.00 C ATOM 0 H VAL A 162 10.264 8.904 11.507 1.00 0.00 H new ATOM 0 HA VAL A 162 10.813 8.856 14.461 1.00 0.00 H new ATOM 0 HB VAL A 162 12.867 8.835 12.222 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.305 7.935 14.033 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.610 9.508 14.491 1.00 0.00 H new ATOM 0 HG13 VAL A 162 12.929 8.006 15.160 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.018 6.382 12.560 1.00 0.00 H new ATOM 0 HG22 VAL A 162 11.642 6.453 13.687 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.405 6.847 11.968 1.00 0.00 H new ATOM 635 N SER A 163 11.430 11.291 14.485 1.00 0.00 N ATOM 636 CA SER A 163 11.662 12.763 14.467 1.00 0.00 C ATOM 637 C SER A 163 13.161 13.041 14.348 1.00 0.00 C ATOM 638 O SER A 163 13.839 13.280 15.328 1.00 0.00 O ATOM 639 CB SER A 163 11.130 13.379 15.763 1.00 0.00 C ATOM 640 OG SER A 163 11.252 14.792 15.699 1.00 0.00 O ATOM 0 H SER A 163 11.336 10.877 15.413 1.00 0.00 H new ATOM 0 HA SER A 163 11.142 13.203 13.616 1.00 0.00 H new ATOM 0 HB2 SER A 163 10.087 13.099 15.910 1.00 0.00 H new ATOM 0 HB3 SER A 163 11.687 12.993 16.617 1.00 0.00 H new ATOM 0 HG SER A 163 10.910 15.188 16.528 1.00 0.00 H new ATOM 692 N ARG A 167 12.406 16.942 12.074 1.00 0.00 N ATOM 693 CA ARG A 167 11.354 16.719 11.042 1.00 0.00 C ATOM 694 C ARG A 167 10.868 15.271 11.115 1.00 0.00 C ATOM 695 O ARG A 167 11.644 14.353 11.287 1.00 0.00 O ATOM 696 CB ARG A 167 11.938 16.993 9.654 1.00 0.00 C ATOM 697 CG ARG A 167 10.821 16.931 8.610 1.00 0.00 C ATOM 698 CD ARG A 167 11.407 17.194 7.222 1.00 0.00 C ATOM 699 NE ARG A 167 10.306 17.237 6.218 1.00 0.00 N ATOM 700 CZ ARG A 167 10.578 17.127 4.947 1.00 0.00 C ATOM 701 NH1 ARG A 167 11.211 18.087 4.329 1.00 0.00 N ATOM 702 NH2 ARG A 167 10.215 16.058 4.291 1.00 0.00 N ATOM 0 HA ARG A 167 10.516 17.392 11.223 1.00 0.00 H new ATOM 0 HB2 ARG A 167 12.414 17.973 9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 167 12.710 16.259 9.421 1.00 0.00 H new ATOM 0 HG2 ARG A 167 10.340 15.953 8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 167 10.053 17.670 8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 167 11.953 18.137 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 167 12.120 16.412 6.962 1.00 0.00 H new ATOM 0 HE ARG A 167 9.340 17.352 6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 167 11.493 18.923 4.840 1.00 0.00 H new ATOM 0 HH12 ARG A 167 11.424 18.001 3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 167 9.718 15.308 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 167 10.428 15.973 3.297 1.00 0.00 H new ATOM 716 N ALA A 168 9.587 15.060 10.986 1.00 0.00 N ATOM 717 CA ALA A 168 9.051 13.670 11.049 1.00 0.00 C ATOM 718 C ALA A 168 9.520 12.886 9.822 1.00 0.00 C ATOM 719 O ALA A 168 9.536 13.393 8.718 1.00 0.00 O ATOM 720 CB ALA A 168 7.521 13.714 11.072 1.00 0.00 C ATOM 0 H ALA A 168 8.889 15.789 10.840 1.00 0.00 H new ATOM 0 HA ALA A 168 9.414 13.181 11.953 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.128 12.698 11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.186 14.272 11.946 1.00 0.00 H new ATOM 0 HB3 ALA A 168 7.157 14.203 10.168 1.00 0.00 H new ATOM 726 N THR A 169 9.902 11.651 10.005 1.00 0.00 N ATOM 727 CA THR A 169 10.370 10.836 8.850 1.00 0.00 C ATOM 728 C THR A 169 9.560 9.540 8.780 1.00 0.00 C ATOM 729 O THR A 169 10.023 8.488 9.176 1.00 0.00 O ATOM 730 CB THR A 169 11.853 10.504 9.027 1.00 0.00 C ATOM 731 OG1 THR A 169 12.505 11.586 9.675 1.00 0.00 O ATOM 732 CG2 THR A 169 12.492 10.266 7.658 1.00 0.00 C ATOM 0 H THR A 169 9.910 11.172 10.905 1.00 0.00 H new ATOM 0 HA THR A 169 10.233 11.400 7.927 1.00 0.00 H new ATOM 0 HB THR A 169 11.954 9.604 9.633 1.00 0.00 H new ATOM 0 HG1 THR A 169 12.304 11.562 10.634 1.00 0.00 H new ATOM 0 HG21 THR A 169 13.548 10.030 7.786 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.991 9.434 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 169 12.392 11.164 7.049 1.00 0.00 H new ATOM 740 N PRO A 170 8.325 9.623 8.265 1.00 0.00 N ATOM 741 CA PRO A 170 7.439 8.459 8.139 1.00 0.00 C ATOM 742 C PRO A 170 8.112 7.312 7.378 1.00 0.00 C ATOM 743 O PRO A 170 8.233 7.343 6.170 1.00 0.00 O ATOM 744 CB PRO A 170 6.255 8.994 7.337 1.00 0.00 C ATOM 745 CG PRO A 170 6.811 10.146 6.570 1.00 0.00 C ATOM 746 CD PRO A 170 7.872 10.756 7.439 1.00 0.00 C ATOM 0 HA PRO A 170 7.162 8.050 9.110 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.851 8.232 6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.442 9.309 7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 170 7.229 9.815 5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 170 6.032 10.872 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 170 8.686 11.173 6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.475 11.566 8.050 1.00 0.00 H new ATOM 754 N VAL A 171 8.550 6.301 8.076 1.00 0.00 N ATOM 755 CA VAL A 171 9.214 5.155 7.393 1.00 0.00 C ATOM 756 C VAL A 171 8.579 3.844 7.864 1.00 0.00 C ATOM 757 O VAL A 171 8.036 3.761 8.948 1.00 0.00 O ATOM 758 CB VAL A 171 10.705 5.152 7.734 1.00 0.00 C ATOM 759 CG1 VAL A 171 11.334 6.470 7.280 1.00 0.00 C ATOM 760 CG2 VAL A 171 10.883 4.995 9.245 1.00 0.00 C ATOM 0 H VAL A 171 8.477 6.219 9.090 1.00 0.00 H new ATOM 0 HA VAL A 171 9.089 5.252 6.315 1.00 0.00 H new ATOM 0 HB VAL A 171 11.193 4.322 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 171 12.397 6.469 7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 171 11.208 6.581 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.846 7.301 7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 171 11.946 4.993 9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.395 5.825 9.757 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.435 4.055 9.568 1.00 0.00 H new ATOM 770 N GLU A 172 8.642 2.819 7.058 1.00 0.00 N ATOM 771 CA GLU A 172 8.042 1.517 7.461 1.00 0.00 C ATOM 772 C GLU A 172 9.156 0.516 7.776 1.00 0.00 C ATOM 773 O GLU A 172 10.076 0.333 7.002 1.00 0.00 O ATOM 774 CB GLU A 172 7.181 0.978 6.317 1.00 0.00 C ATOM 775 CG GLU A 172 6.056 1.969 6.014 1.00 0.00 C ATOM 776 CD GLU A 172 5.139 1.386 4.937 1.00 0.00 C ATOM 777 OE1 GLU A 172 5.482 0.350 4.392 1.00 0.00 O ATOM 778 OE2 GLU A 172 4.108 1.985 4.677 1.00 0.00 O ATOM 0 H GLU A 172 9.083 2.828 6.138 1.00 0.00 H new ATOM 0 HA GLU A 172 7.423 1.661 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 172 7.793 0.824 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 172 6.763 0.009 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.485 2.176 6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 172 6.474 2.918 5.677 1.00 0.00 H new ATOM 785 N LEU A 173 9.080 -0.135 8.904 1.00 0.00 N ATOM 786 CA LEU A 173 10.134 -1.123 9.266 1.00 0.00 C ATOM 787 C LEU A 173 9.480 -2.463 9.613 1.00 0.00 C ATOM 788 O LEU A 173 8.319 -2.525 9.966 1.00 0.00 O ATOM 789 CB LEU A 173 10.920 -0.613 10.477 1.00 0.00 C ATOM 790 CG LEU A 173 11.609 0.707 10.122 1.00 0.00 C ATOM 791 CD1 LEU A 173 12.367 0.551 8.803 1.00 0.00 C ATOM 792 CD2 LEU A 173 10.557 1.810 9.979 1.00 0.00 C ATOM 0 H LEU A 173 8.334 -0.025 9.590 1.00 0.00 H new ATOM 0 HA LEU A 173 10.811 -1.255 8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 173 10.249 -0.469 11.324 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.662 -1.352 10.780 1.00 0.00 H new ATOM 0 HG LEU A 173 12.310 0.973 10.913 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.857 1.492 8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 173 13.117 -0.233 8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 173 11.668 0.283 8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 173 11.047 2.750 9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 173 9.855 1.543 9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 173 10.018 1.923 10.920 1.00 0.00 H new ATOM 804 N ASP A 174 10.217 -3.536 9.517 1.00 0.00 N ATOM 805 CA ASP A 174 9.636 -4.869 9.842 1.00 0.00 C ATOM 806 C ASP A 174 9.552 -5.030 11.362 1.00 0.00 C ATOM 807 O ASP A 174 9.989 -4.179 12.111 1.00 0.00 O ATOM 808 CB ASP A 174 10.527 -5.969 9.262 1.00 0.00 C ATOM 809 CG ASP A 174 10.463 -5.923 7.734 1.00 0.00 C ATOM 810 OD1 ASP A 174 9.579 -5.261 7.217 1.00 0.00 O ATOM 811 OD2 ASP A 174 11.301 -6.551 7.106 1.00 0.00 O ATOM 0 H ASP A 174 11.195 -3.547 9.228 1.00 0.00 H new ATOM 0 HA ASP A 174 8.638 -4.946 9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 174 11.555 -5.834 9.598 1.00 0.00 H new ATOM 0 HB3 ASP A 174 10.200 -6.945 9.621 1.00 0.00 H new ATOM 816 N PHE A 175 8.993 -6.116 11.824 1.00 0.00 N ATOM 817 CA PHE A 175 8.883 -6.328 13.295 1.00 0.00 C ATOM 818 C PHE A 175 10.282 -6.485 13.892 1.00 0.00 C ATOM 819 O PHE A 175 10.589 -5.935 14.932 1.00 0.00 O ATOM 820 CB PHE A 175 8.065 -7.592 13.570 1.00 0.00 C ATOM 821 CG PHE A 175 6.768 -7.543 12.794 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.237 -6.312 12.385 1.00 0.00 C ATOM 823 CD2 PHE A 175 6.096 -8.731 12.482 1.00 0.00 C ATOM 824 CE1 PHE A 175 5.037 -6.270 11.668 1.00 0.00 C ATOM 825 CE2 PHE A 175 4.894 -8.689 11.765 1.00 0.00 C ATOM 826 CZ PHE A 175 4.365 -7.458 11.358 1.00 0.00 C ATOM 0 H PHE A 175 8.608 -6.864 11.247 1.00 0.00 H new ATOM 0 HA PHE A 175 8.387 -5.470 13.750 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.637 -8.475 13.285 1.00 0.00 H new ATOM 0 HB3 PHE A 175 7.858 -7.677 14.637 1.00 0.00 H new ATOM 0 HD1 PHE A 175 6.755 -5.395 12.624 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.505 -9.680 12.795 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.629 -5.321 11.353 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.375 -9.606 11.526 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.438 -7.425 10.805 1.00 0.00 H new ATOM 836 N SER A 176 11.134 -7.232 13.245 1.00 0.00 N ATOM 837 CA SER A 176 12.512 -7.423 13.776 1.00 0.00 C ATOM 838 C SER A 176 13.347 -6.173 13.492 1.00 0.00 C ATOM 839 O SER A 176 14.299 -5.879 14.188 1.00 0.00 O ATOM 840 CB SER A 176 13.158 -8.633 13.096 1.00 0.00 C ATOM 841 OG SER A 176 13.417 -8.326 11.733 1.00 0.00 O ATOM 0 H SER A 176 10.935 -7.718 12.371 1.00 0.00 H new ATOM 0 HA SER A 176 12.466 -7.592 14.852 1.00 0.00 H new ATOM 0 HB2 SER A 176 14.086 -8.897 13.603 1.00 0.00 H new ATOM 0 HB3 SER A 176 12.499 -9.498 13.166 1.00 0.00 H new ATOM 0 HG SER A 176 13.832 -9.099 11.297 1.00 0.00 H new ATOM 847 N GLN A 177 13.000 -5.436 12.473 1.00 0.00 N ATOM 848 CA GLN A 177 13.774 -4.205 12.145 1.00 0.00 C ATOM 849 C GLN A 177 13.563 -3.160 13.243 1.00 0.00 C ATOM 850 O GLN A 177 14.331 -2.229 13.382 1.00 0.00 O ATOM 851 CB GLN A 177 13.295 -3.642 10.806 1.00 0.00 C ATOM 852 CG GLN A 177 13.825 -4.514 9.666 1.00 0.00 C ATOM 853 CD GLN A 177 13.377 -3.930 8.325 1.00 0.00 C ATOM 854 OE1 GLN A 177 12.569 -3.023 8.285 1.00 0.00 O ATOM 855 NE2 GLN A 177 13.871 -4.414 7.219 1.00 0.00 N ATOM 0 H GLN A 177 12.214 -5.633 11.853 1.00 0.00 H new ATOM 0 HA GLN A 177 14.834 -4.451 12.077 1.00 0.00 H new ATOM 0 HB2 GLN A 177 12.206 -3.614 10.780 1.00 0.00 H new ATOM 0 HB3 GLN A 177 13.643 -2.616 10.685 1.00 0.00 H new ATOM 0 HG2 GLN A 177 14.913 -4.563 9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 177 13.455 -5.534 9.772 1.00 0.00 H new ATOM 0 HE21 GLN A 177 14.549 -5.175 7.253 1.00 0.00 H new ATOM 0 HE22 GLN A 177 13.579 -4.031 6.320 1.00 0.00 H new ATOM 864 N VAL A 178 12.528 -3.305 14.023 1.00 0.00 N ATOM 865 CA VAL A 178 12.271 -2.317 15.109 1.00 0.00 C ATOM 866 C VAL A 178 11.828 -3.053 16.375 1.00 0.00 C ATOM 867 O VAL A 178 11.421 -4.197 16.330 1.00 0.00 O ATOM 868 CB VAL A 178 11.169 -1.351 14.669 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.594 -0.644 13.381 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.876 -2.131 14.419 1.00 0.00 C ATOM 0 H VAL A 178 11.850 -4.064 13.956 1.00 0.00 H new ATOM 0 HA VAL A 178 13.184 -1.758 15.315 1.00 0.00 H new ATOM 0 HB VAL A 178 11.002 -0.611 15.452 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.809 0.044 13.068 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.515 -0.088 13.558 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.762 -1.384 12.598 1.00 0.00 H new ATOM 0 HG21 VAL A 178 9.091 -1.443 14.106 1.00 0.00 H new ATOM 0 HG22 VAL A 178 10.043 -2.871 13.637 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.572 -2.635 15.336 1.00 0.00 H new ATOM 880 N GLU A 179 11.904 -2.406 17.505 1.00 0.00 N ATOM 881 CA GLU A 179 11.487 -3.067 18.773 1.00 0.00 C ATOM 882 C GLU A 179 10.476 -2.179 19.503 1.00 0.00 C ATOM 883 O GLU A 179 10.437 -0.980 19.310 1.00 0.00 O ATOM 884 CB GLU A 179 12.713 -3.280 19.664 1.00 0.00 C ATOM 885 CG GLU A 179 13.863 -3.836 18.822 1.00 0.00 C ATOM 886 CD GLU A 179 15.025 -4.228 19.739 1.00 0.00 C ATOM 887 OE1 GLU A 179 15.044 -3.765 20.867 1.00 0.00 O ATOM 888 OE2 GLU A 179 15.874 -4.983 19.296 1.00 0.00 O ATOM 0 H GLU A 179 12.237 -1.447 17.605 1.00 0.00 H new ATOM 0 HA GLU A 179 11.029 -4.030 18.547 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.008 -2.338 20.126 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.473 -3.970 20.473 1.00 0.00 H new ATOM 0 HG2 GLU A 179 13.526 -4.703 18.254 1.00 0.00 H new ATOM 0 HG3 GLU A 179 14.192 -3.090 18.099 1.00 0.00 H new ATOM 895 N LYS A 180 9.657 -2.757 20.338 1.00 0.00 N ATOM 896 CA LYS A 180 8.651 -1.944 21.077 1.00 0.00 C ATOM 897 C LYS A 180 9.289 -1.371 22.344 1.00 0.00 C ATOM 898 O LYS A 180 10.101 -2.007 22.984 1.00 0.00 O ATOM 899 CB LYS A 180 7.462 -2.829 21.460 1.00 0.00 C ATOM 900 CG LYS A 180 6.745 -3.295 20.191 1.00 0.00 C ATOM 901 CD LYS A 180 5.417 -3.954 20.569 1.00 0.00 C ATOM 902 CE LYS A 180 5.691 -5.260 21.316 1.00 0.00 C ATOM 903 NZ LYS A 180 4.895 -5.288 22.575 1.00 0.00 N ATOM 0 H LYS A 180 9.641 -3.757 20.540 1.00 0.00 H new ATOM 0 HA LYS A 180 8.307 -1.127 20.442 1.00 0.00 H new ATOM 0 HB2 LYS A 180 7.805 -3.690 22.034 1.00 0.00 H new ATOM 0 HB3 LYS A 180 6.773 -2.275 22.098 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.567 -2.448 19.529 1.00 0.00 H new ATOM 0 HG3 LYS A 180 7.371 -4.001 19.645 1.00 0.00 H new ATOM 0 HD2 LYS A 180 4.830 -3.281 21.194 1.00 0.00 H new ATOM 0 HD3 LYS A 180 4.829 -4.152 19.673 1.00 0.00 H new ATOM 0 HE2 LYS A 180 5.429 -6.112 20.689 1.00 0.00 H new ATOM 0 HE3 LYS A 180 6.754 -5.346 21.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 5.081 -6.176 23.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 5.165 -4.482 23.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 3.882 -5.225 22.347 1.00 0.00 H new ATOM 917 N ALA A 181 8.927 -0.172 22.711 1.00 0.00 N ATOM 918 CA ALA A 181 9.513 0.440 23.937 1.00 0.00 C ATOM 919 C ALA A 181 8.581 0.197 25.124 1.00 0.00 C ATOM 920 O ALA A 181 8.930 0.447 26.261 1.00 0.00 O ATOM 921 CB ALA A 181 9.685 1.946 23.723 1.00 0.00 C ATOM 0 H ALA A 181 8.251 0.410 22.215 1.00 0.00 H new ATOM 0 HA ALA A 181 10.484 -0.012 24.140 1.00 0.00 H new ATOM 0 HB1 ALA A 181 10.114 2.394 24.619 1.00 0.00 H new ATOM 0 HB2 ALA A 181 10.350 2.120 22.877 1.00 0.00 H new ATOM 0 HB3 ALA A 181 8.714 2.398 23.520 1.00 0.00 H new