USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=7 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 -123:sc= -0.0574 (180deg=-0.499) USER MOD Single : A 137 ASN : amide:sc= -1.74! C(o=-1.7!,f=-8.2!) USER MOD Single : A 145 ASN : amide:sc=-0.00125 K(o=-0.0013,f=-1.1) 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 -64:sc= 0.77 USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 SER OG : rot -75:sc= -1.58 USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 176 SER OG : rot 180:sc= 0 USER MOD Single : A 177 GLN : amide:sc= -3.93! C(o=-3.9!,f=-9!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 2.291 -4.928 17.670 1.00 0.00 N ATOM 95 CA PHE A 128 2.390 -3.444 17.572 1.00 0.00 C ATOM 96 C PHE A 128 1.034 -2.869 17.158 1.00 0.00 C ATOM 97 O PHE A 128 0.405 -3.342 16.233 1.00 0.00 O ATOM 98 CB PHE A 128 3.443 -3.072 16.527 1.00 0.00 C ATOM 99 CG PHE A 128 4.753 -3.739 16.872 1.00 0.00 C ATOM 100 CD1 PHE A 128 5.043 -5.013 16.370 1.00 0.00 C ATOM 101 CD2 PHE A 128 5.676 -3.083 17.694 1.00 0.00 C ATOM 102 CE1 PHE A 128 6.257 -5.632 16.690 1.00 0.00 C ATOM 103 CE2 PHE A 128 6.891 -3.703 18.015 1.00 0.00 C ATOM 104 CZ PHE A 128 7.181 -4.978 17.512 1.00 0.00 C ATOM 0 HA PHE A 128 2.678 -3.034 18.540 1.00 0.00 H new ATOM 0 HB2 PHE A 128 3.114 -3.385 15.536 1.00 0.00 H new ATOM 0 HB3 PHE A 128 3.571 -1.990 16.494 1.00 0.00 H new ATOM 0 HD1 PHE A 128 4.330 -5.519 15.736 1.00 0.00 H new ATOM 0 HD2 PHE A 128 5.452 -2.100 18.081 1.00 0.00 H new ATOM 0 HE1 PHE A 128 6.480 -6.615 16.302 1.00 0.00 H new ATOM 0 HE2 PHE A 128 7.604 -3.198 18.650 1.00 0.00 H new ATOM 0 HZ PHE A 128 8.118 -5.456 17.759 1.00 0.00 H new ATOM 114 N GLU A 129 0.579 -1.851 17.835 1.00 0.00 N ATOM 115 CA GLU A 129 -0.736 -1.247 17.478 1.00 0.00 C ATOM 116 C GLU A 129 -0.600 0.276 17.424 1.00 0.00 C ATOM 117 O GLU A 129 0.242 0.856 18.080 1.00 0.00 O ATOM 118 CB GLU A 129 -1.776 -1.630 18.533 1.00 0.00 C ATOM 119 CG GLU A 129 -2.685 -2.728 17.977 1.00 0.00 C ATOM 120 CD GLU A 129 -3.082 -3.681 19.108 1.00 0.00 C ATOM 121 OE1 GLU A 129 -2.247 -4.474 19.509 1.00 0.00 O ATOM 122 OE2 GLU A 129 -4.216 -3.600 19.553 1.00 0.00 O ATOM 0 H GLU A 129 1.060 -1.411 18.619 1.00 0.00 H new ATOM 0 HA GLU A 129 -1.054 -1.618 16.503 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -1.280 -1.978 19.439 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -2.368 -0.758 18.809 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.575 -2.286 17.529 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -2.170 -3.277 17.188 1.00 0.00 H new ATOM 129 N PRO A 130 -1.450 0.933 16.621 1.00 0.00 N ATOM 130 CA PRO A 130 -1.430 2.394 16.474 1.00 0.00 C ATOM 131 C PRO A 130 -1.329 3.100 17.830 1.00 0.00 C ATOM 132 O PRO A 130 -2.039 2.780 18.762 1.00 0.00 O ATOM 133 CB PRO A 130 -2.776 2.708 15.821 1.00 0.00 C ATOM 134 CG PRO A 130 -3.657 1.570 16.212 1.00 0.00 C ATOM 135 CD PRO A 130 -2.771 0.361 16.302 1.00 0.00 C ATOM 0 HA PRO A 130 -0.571 2.735 15.896 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.176 3.659 16.174 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.683 2.784 14.738 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -4.145 1.766 17.167 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.447 1.419 15.476 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -3.108 -0.329 17.076 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.753 -0.195 15.365 1.00 0.00 H new ATOM 143 N GLY A 131 -0.450 4.059 17.946 1.00 0.00 N ATOM 144 CA GLY A 131 -0.304 4.782 19.240 1.00 0.00 C ATOM 145 C GLY A 131 0.728 4.067 20.114 1.00 0.00 C ATOM 146 O GLY A 131 1.028 4.494 21.212 1.00 0.00 O ATOM 0 H GLY A 131 0.172 4.372 17.201 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.007 5.811 19.060 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -1.264 4.825 19.755 1.00 0.00 H new ATOM 150 N GLU A 132 1.276 2.980 19.639 1.00 0.00 N ATOM 151 CA GLU A 132 2.287 2.242 20.446 1.00 0.00 C ATOM 152 C GLU A 132 3.691 2.701 20.046 1.00 0.00 C ATOM 153 O GLU A 132 4.045 2.707 18.884 1.00 0.00 O ATOM 154 CB GLU A 132 2.148 0.740 20.188 1.00 0.00 C ATOM 155 CG GLU A 132 3.105 -0.026 21.102 1.00 0.00 C ATOM 156 CD GLU A 132 2.648 0.120 22.555 1.00 0.00 C ATOM 157 OE1 GLU A 132 1.467 0.341 22.765 1.00 0.00 O ATOM 158 OE2 GLU A 132 3.488 0.006 23.433 1.00 0.00 O ATOM 0 H GLU A 132 1.066 2.573 18.728 1.00 0.00 H new ATOM 0 HA GLU A 132 2.126 2.445 21.505 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.121 0.422 20.371 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.369 0.518 19.144 1.00 0.00 H new ATOM 0 HG2 GLU A 132 3.129 -1.079 20.821 1.00 0.00 H new ATOM 0 HG3 GLU A 132 4.119 0.357 20.988 1.00 0.00 H new ATOM 165 N MET A 133 4.495 3.085 21.000 1.00 0.00 N ATOM 166 CA MET A 133 5.874 3.542 20.673 1.00 0.00 C ATOM 167 C MET A 133 6.697 2.356 20.169 1.00 0.00 C ATOM 168 O MET A 133 6.430 1.218 20.499 1.00 0.00 O ATOM 169 CB MET A 133 6.531 4.121 21.928 1.00 0.00 C ATOM 170 CG MET A 133 5.833 5.427 22.315 1.00 0.00 C ATOM 171 SD MET A 133 6.787 6.259 23.609 1.00 0.00 S ATOM 172 CE MET A 133 8.081 6.935 22.539 1.00 0.00 C ATOM 0 H MET A 133 4.256 3.102 21.991 1.00 0.00 H new ATOM 0 HA MET A 133 5.829 4.309 19.900 1.00 0.00 H new ATOM 0 HB2 MET A 133 6.467 3.405 22.748 1.00 0.00 H new ATOM 0 HB3 MET A 133 7.590 4.303 21.746 1.00 0.00 H new ATOM 0 HG2 MET A 133 5.740 6.075 21.443 1.00 0.00 H new ATOM 0 HG3 MET A 133 4.823 5.221 22.668 1.00 0.00 H new ATOM 0 HE1 MET A 133 9.056 6.589 22.884 1.00 0.00 H new ATOM 0 HE2 MET A 133 7.918 6.600 21.515 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.050 8.024 22.574 1.00 0.00 H new ATOM 182 N VAL A 134 7.699 2.612 19.373 1.00 0.00 N ATOM 183 CA VAL A 134 8.537 1.496 18.849 1.00 0.00 C ATOM 184 C VAL A 134 10.011 1.906 18.895 1.00 0.00 C ATOM 185 O VAL A 134 10.348 3.004 19.291 1.00 0.00 O ATOM 186 CB VAL A 134 8.137 1.191 17.405 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.597 -0.221 17.036 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.618 1.287 17.264 1.00 0.00 C ATOM 0 H VAL A 134 7.973 3.544 19.063 1.00 0.00 H new ATOM 0 HA VAL A 134 8.385 0.607 19.461 1.00 0.00 H new ATOM 0 HB VAL A 134 8.608 1.912 16.738 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.312 -0.439 16.007 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.680 -0.288 17.135 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.126 -0.943 17.703 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.334 1.069 16.234 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.144 0.567 17.931 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.291 2.293 17.526 1.00 0.00 H new ATOM 198 N ARG A 135 10.892 1.032 18.492 1.00 0.00 N ATOM 199 CA ARG A 135 12.342 1.371 18.512 1.00 0.00 C ATOM 200 C ARG A 135 12.989 0.919 17.202 1.00 0.00 C ATOM 201 O ARG A 135 12.587 -0.060 16.606 1.00 0.00 O ATOM 202 CB ARG A 135 13.012 0.656 19.687 1.00 0.00 C ATOM 203 CG ARG A 135 14.459 1.136 19.821 1.00 0.00 C ATOM 204 CD ARG A 135 15.144 0.374 20.957 1.00 0.00 C ATOM 205 NE ARG A 135 16.519 0.911 21.159 1.00 0.00 N ATOM 206 CZ ARG A 135 17.266 0.444 22.122 1.00 0.00 C ATOM 207 NH1 ARG A 135 16.791 0.367 23.335 1.00 0.00 N ATOM 208 NH2 ARG A 135 18.487 0.057 21.873 1.00 0.00 N ATOM 0 H ARG A 135 10.670 0.097 18.150 1.00 0.00 H new ATOM 0 HA ARG A 135 12.465 2.448 18.623 1.00 0.00 H new ATOM 0 HB2 ARG A 135 12.465 0.857 20.608 1.00 0.00 H new ATOM 0 HB3 ARG A 135 12.989 -0.423 19.531 1.00 0.00 H new ATOM 0 HG2 ARG A 135 14.995 0.976 18.886 1.00 0.00 H new ATOM 0 HG3 ARG A 135 14.481 2.207 20.021 1.00 0.00 H new ATOM 0 HD2 ARG A 135 14.565 0.472 21.876 1.00 0.00 H new ATOM 0 HD3 ARG A 135 15.189 -0.689 20.721 1.00 0.00 H new ATOM 0 HE ARG A 135 16.876 1.643 20.545 1.00 0.00 H new ATOM 0 HH11 ARG A 135 15.837 0.672 23.529 1.00 0.00 H new ATOM 0 HH12 ARG A 135 17.374 0.002 24.089 1.00 0.00 H new ATOM 0 HH21 ARG A 135 18.858 0.119 20.925 1.00 0.00 H new ATOM 0 HH22 ARG A 135 19.070 -0.308 22.626 1.00 0.00 H new ATOM 222 N VAL A 136 13.988 1.626 16.748 1.00 0.00 N ATOM 223 CA VAL A 136 14.657 1.235 15.475 1.00 0.00 C ATOM 224 C VAL A 136 16.124 0.899 15.752 1.00 0.00 C ATOM 225 O VAL A 136 16.850 1.679 16.335 1.00 0.00 O ATOM 226 CB VAL A 136 14.578 2.396 14.481 1.00 0.00 C ATOM 227 CG1 VAL A 136 15.205 1.971 13.152 1.00 0.00 C ATOM 228 CG2 VAL A 136 13.113 2.774 14.255 1.00 0.00 C ATOM 0 H VAL A 136 14.369 2.456 17.203 1.00 0.00 H new ATOM 0 HA VAL A 136 14.158 0.362 15.055 1.00 0.00 H new ATOM 0 HB VAL A 136 15.118 3.255 14.880 1.00 0.00 H new ATOM 0 HG11 VAL A 136 15.149 2.797 12.443 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.248 1.700 13.312 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.664 1.113 12.753 1.00 0.00 H new ATOM 0 HG21 VAL A 136 13.056 3.601 13.547 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.573 1.916 13.855 1.00 0.00 H new ATOM 0 HG23 VAL A 136 12.665 3.075 15.202 1.00 0.00 H new ATOM 238 N ASN A 137 16.566 -0.256 15.337 1.00 0.00 N ATOM 239 CA ASN A 137 17.986 -0.640 15.576 1.00 0.00 C ATOM 240 C ASN A 137 18.637 -1.037 14.251 1.00 0.00 C ATOM 241 O ASN A 137 19.712 -1.603 14.220 1.00 0.00 O ATOM 242 CB ASN A 137 18.037 -1.824 16.544 1.00 0.00 C ATOM 243 CG ASN A 137 17.169 -2.963 16.004 1.00 0.00 C ATOM 244 OD1 ASN A 137 17.136 -3.205 14.814 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.459 -3.676 16.835 1.00 0.00 N ATOM 0 H ASN A 137 16.006 -0.950 14.843 1.00 0.00 H new ATOM 0 HA ASN A 137 18.524 0.205 16.006 1.00 0.00 H new ATOM 0 HB2 ASN A 137 19.066 -2.163 16.666 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.683 -1.518 17.528 1.00 0.00 H new ATOM 0 HD21 ASN A 137 15.876 -4.437 16.485 1.00 0.00 H new ATOM 0 HD22 ASN A 137 16.487 -3.473 17.834 1.00 0.00 H new ATOM 252 N ASP A 138 17.995 -0.744 13.153 1.00 0.00 N ATOM 253 CA ASP A 138 18.578 -1.105 11.830 1.00 0.00 C ATOM 254 C ASP A 138 18.381 0.055 10.851 1.00 0.00 C ATOM 255 O ASP A 138 17.577 0.937 11.073 1.00 0.00 O ATOM 256 CB ASP A 138 17.880 -2.355 11.289 1.00 0.00 C ATOM 257 CG ASP A 138 18.228 -3.555 12.171 1.00 0.00 C ATOM 258 OD1 ASP A 138 19.243 -3.495 12.846 1.00 0.00 O ATOM 259 OD2 ASP A 138 17.473 -4.514 12.158 1.00 0.00 O ATOM 0 H ASP A 138 17.092 -0.270 13.115 1.00 0.00 H new ATOM 0 HA ASP A 138 19.643 -1.305 11.945 1.00 0.00 H new ATOM 0 HB2 ASP A 138 16.801 -2.203 11.272 1.00 0.00 H new ATOM 0 HB3 ASP A 138 18.192 -2.543 10.262 1.00 0.00 H new ATOM 264 N GLY A 139 19.110 0.059 9.769 1.00 0.00 N ATOM 265 CA GLY A 139 18.964 1.162 8.777 1.00 0.00 C ATOM 266 C GLY A 139 19.382 2.485 9.419 1.00 0.00 C ATOM 267 O GLY A 139 19.704 2.544 10.589 1.00 0.00 O ATOM 0 H GLY A 139 19.800 -0.653 9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.580 0.961 7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 139 17.931 1.222 8.434 1.00 0.00 H new ATOM 271 N PRO A 140 19.377 3.570 8.630 1.00 0.00 N ATOM 272 CA PRO A 140 19.756 4.904 9.116 1.00 0.00 C ATOM 273 C PRO A 140 18.880 5.350 10.291 1.00 0.00 C ATOM 274 O PRO A 140 19.277 6.169 11.097 1.00 0.00 O ATOM 275 CB PRO A 140 19.513 5.808 7.909 1.00 0.00 C ATOM 276 CG PRO A 140 18.483 5.092 7.103 1.00 0.00 C ATOM 277 CD PRO A 140 18.743 3.624 7.301 1.00 0.00 C ATOM 0 HA PRO A 140 20.782 4.930 9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.162 6.793 8.216 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.428 5.960 7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.478 5.357 7.431 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.556 5.362 6.049 1.00 0.00 H new ATOM 0 HD2 PRO A 140 17.820 3.044 7.271 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.397 3.223 6.527 1.00 0.00 H new ATOM 285 N PHE A 141 17.692 4.819 10.395 1.00 0.00 N ATOM 286 CA PHE A 141 16.796 5.215 11.517 1.00 0.00 C ATOM 287 C PHE A 141 17.157 4.410 12.767 1.00 0.00 C ATOM 288 O PHE A 141 16.471 4.460 13.769 1.00 0.00 O ATOM 289 CB PHE A 141 15.342 4.932 11.132 1.00 0.00 C ATOM 290 CG PHE A 141 14.967 5.770 9.934 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.492 7.074 10.112 1.00 0.00 C ATOM 292 CD2 PHE A 141 15.095 5.242 8.644 1.00 0.00 C ATOM 293 CE1 PHE A 141 14.143 7.851 9.001 1.00 0.00 C ATOM 294 CE2 PHE A 141 14.748 6.019 7.531 1.00 0.00 C ATOM 295 CZ PHE A 141 14.272 7.323 7.711 1.00 0.00 C ATOM 0 H PHE A 141 17.304 4.129 9.752 1.00 0.00 H new ATOM 0 HA PHE A 141 16.918 6.279 11.722 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.214 3.874 10.903 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.682 5.159 11.969 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.395 7.481 11.107 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.461 4.235 8.507 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.775 8.857 9.139 1.00 0.00 H new ATOM 0 HE2 PHE A 141 14.848 5.612 6.535 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.004 7.922 6.854 1.00 0.00 H new ATOM 305 N ALA A 142 18.230 3.668 12.718 1.00 0.00 N ATOM 306 CA ALA A 142 18.633 2.861 13.904 1.00 0.00 C ATOM 307 C ALA A 142 18.906 3.792 15.086 1.00 0.00 C ATOM 308 O ALA A 142 19.299 4.929 14.915 1.00 0.00 O ATOM 309 CB ALA A 142 19.901 2.070 13.574 1.00 0.00 C ATOM 0 H ALA A 142 18.844 3.586 11.908 1.00 0.00 H new ATOM 0 HA ALA A 142 17.831 2.171 14.164 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.197 1.479 14.441 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.707 1.406 12.731 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.703 2.761 13.314 1.00 0.00 H new ATOM 315 N ASP A 143 18.700 3.320 16.284 1.00 0.00 N ATOM 316 CA ASP A 143 18.948 4.179 17.476 1.00 0.00 C ATOM 317 C ASP A 143 18.007 5.384 17.444 1.00 0.00 C ATOM 318 O ASP A 143 18.431 6.517 17.546 1.00 0.00 O ATOM 319 CB ASP A 143 20.399 4.665 17.461 1.00 0.00 C ATOM 320 CG ASP A 143 21.339 3.462 17.369 1.00 0.00 C ATOM 321 OD1 ASP A 143 20.900 2.367 17.679 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.482 3.656 16.989 1.00 0.00 O ATOM 0 H ASP A 143 18.371 2.377 16.489 1.00 0.00 H new ATOM 0 HA ASP A 143 18.766 3.602 18.383 1.00 0.00 H new ATOM 0 HB2 ASP A 143 20.561 5.332 16.615 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.611 5.238 18.364 1.00 0.00 H new ATOM 327 N PHE A 144 16.731 5.149 17.303 1.00 0.00 N ATOM 328 CA PHE A 144 15.765 6.284 17.265 1.00 0.00 C ATOM 329 C PHE A 144 14.416 5.825 17.822 1.00 0.00 C ATOM 330 O PHE A 144 13.900 4.790 17.450 1.00 0.00 O ATOM 331 CB PHE A 144 15.586 6.754 15.820 1.00 0.00 C ATOM 332 CG PHE A 144 16.733 7.659 15.437 1.00 0.00 C ATOM 333 CD1 PHE A 144 16.776 8.975 15.913 1.00 0.00 C ATOM 334 CD2 PHE A 144 17.753 7.183 14.605 1.00 0.00 C ATOM 335 CE1 PHE A 144 17.838 9.814 15.558 1.00 0.00 C ATOM 336 CE2 PHE A 144 18.817 8.022 14.249 1.00 0.00 C ATOM 337 CZ PHE A 144 18.859 9.338 14.725 1.00 0.00 C ATOM 0 H PHE A 144 16.316 4.222 17.213 1.00 0.00 H new ATOM 0 HA PHE A 144 16.147 7.106 17.870 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.547 5.895 15.150 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.640 7.284 15.714 1.00 0.00 H new ATOM 0 HD1 PHE A 144 15.989 9.343 16.555 1.00 0.00 H new ATOM 0 HD2 PHE A 144 17.720 6.168 14.237 1.00 0.00 H new ATOM 0 HE1 PHE A 144 17.871 10.829 15.926 1.00 0.00 H new ATOM 0 HE2 PHE A 144 19.604 7.654 13.608 1.00 0.00 H new ATOM 0 HZ PHE A 144 19.678 9.986 14.450 1.00 0.00 H new ATOM 347 N ASN A 145 13.839 6.587 18.710 1.00 0.00 N ATOM 348 CA ASN A 145 12.523 6.195 19.288 1.00 0.00 C ATOM 349 C ASN A 145 11.398 6.839 18.474 1.00 0.00 C ATOM 350 O ASN A 145 11.482 7.986 18.083 1.00 0.00 O ATOM 351 CB ASN A 145 12.438 6.672 20.739 1.00 0.00 C ATOM 352 CG ASN A 145 13.621 6.112 21.531 1.00 0.00 C ATOM 353 OD1 ASN A 145 14.177 5.091 21.177 1.00 0.00 O ATOM 354 ND2 ASN A 145 14.033 6.741 22.597 1.00 0.00 N ATOM 0 H ASN A 145 14.222 7.465 19.060 1.00 0.00 H new ATOM 0 HA ASN A 145 12.422 5.110 19.257 1.00 0.00 H new ATOM 0 HB2 ASN A 145 12.445 7.761 20.776 1.00 0.00 H new ATOM 0 HB3 ASN A 145 11.500 6.344 21.186 1.00 0.00 H new ATOM 0 HD21 ASN A 145 14.821 6.376 23.132 1.00 0.00 H new ATOM 0 HD22 ASN A 145 13.567 7.598 22.895 1.00 0.00 H new ATOM 361 N GLY A 146 10.346 6.111 18.216 1.00 0.00 N ATOM 362 CA GLY A 146 9.219 6.685 17.428 1.00 0.00 C ATOM 363 C GLY A 146 7.933 5.919 17.741 1.00 0.00 C ATOM 364 O GLY A 146 7.925 4.997 18.533 1.00 0.00 O ATOM 0 H GLY A 146 10.218 5.145 18.516 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.094 7.741 17.669 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.440 6.626 16.362 1.00 0.00 H new ATOM 368 N VAL A 147 6.844 6.292 17.125 1.00 0.00 N ATOM 369 CA VAL A 147 5.559 5.584 17.388 1.00 0.00 C ATOM 370 C VAL A 147 5.018 5.011 16.076 1.00 0.00 C ATOM 371 O VAL A 147 5.381 5.445 15.002 1.00 0.00 O ATOM 372 CB VAL A 147 4.544 6.569 17.972 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.265 5.819 18.350 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.135 7.230 19.219 1.00 0.00 C ATOM 0 H VAL A 147 6.789 7.056 16.451 1.00 0.00 H new ATOM 0 HA VAL A 147 5.727 4.774 18.098 1.00 0.00 H new ATOM 0 HB VAL A 147 4.311 7.334 17.231 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.542 6.520 18.766 1.00 0.00 H new ATOM 0 HG12 VAL A 147 2.844 5.347 17.462 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.497 5.054 19.091 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.413 7.932 19.636 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.368 6.466 19.960 1.00 0.00 H new ATOM 0 HG23 VAL A 147 6.046 7.764 18.950 1.00 0.00 H new ATOM 384 N VAL A 148 4.152 4.038 16.156 1.00 0.00 N ATOM 385 CA VAL A 148 3.591 3.438 14.912 1.00 0.00 C ATOM 386 C VAL A 148 2.199 4.015 14.649 1.00 0.00 C ATOM 387 O VAL A 148 1.278 3.811 15.415 1.00 0.00 O ATOM 388 CB VAL A 148 3.491 1.921 15.077 1.00 0.00 C ATOM 389 CG1 VAL A 148 2.812 1.596 16.409 1.00 0.00 C ATOM 390 CG2 VAL A 148 2.666 1.337 13.928 1.00 0.00 C ATOM 0 H VAL A 148 3.809 3.633 17.027 1.00 0.00 H new ATOM 0 HA VAL A 148 4.245 3.670 14.071 1.00 0.00 H new ATOM 0 HB VAL A 148 4.491 1.487 15.064 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.741 0.515 16.527 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.399 2.012 17.228 1.00 0.00 H new ATOM 0 HG13 VAL A 148 1.812 2.029 16.423 1.00 0.00 H new ATOM 0 HG21 VAL A 148 2.594 0.256 14.045 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.666 1.771 13.941 1.00 0.00 H new ATOM 0 HG23 VAL A 148 3.149 1.568 12.979 1.00 0.00 H new ATOM 400 N GLU A 149 2.037 4.731 13.570 1.00 0.00 N ATOM 401 CA GLU A 149 0.703 5.316 13.258 1.00 0.00 C ATOM 402 C GLU A 149 -0.259 4.196 12.858 1.00 0.00 C ATOM 403 O GLU A 149 -1.431 4.226 13.178 1.00 0.00 O ATOM 404 CB GLU A 149 0.840 6.311 12.104 1.00 0.00 C ATOM 405 CG GLU A 149 1.905 7.353 12.451 1.00 0.00 C ATOM 406 CD GLU A 149 1.994 8.385 11.324 1.00 0.00 C ATOM 407 OE1 GLU A 149 1.474 8.112 10.255 1.00 0.00 O ATOM 408 OE2 GLU A 149 2.581 9.431 11.550 1.00 0.00 O ATOM 0 H GLU A 149 2.771 4.936 12.892 1.00 0.00 H new ATOM 0 HA GLU A 149 0.315 5.833 14.136 1.00 0.00 H new ATOM 0 HB2 GLU A 149 1.114 5.787 11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -0.116 6.801 11.917 1.00 0.00 H new ATOM 0 HG2 GLU A 149 1.655 7.845 13.391 1.00 0.00 H new ATOM 0 HG3 GLU A 149 2.871 6.868 12.592 1.00 0.00 H new ATOM 415 N GLU A 150 0.228 3.206 12.162 1.00 0.00 N ATOM 416 CA GLU A 150 -0.655 2.082 11.742 1.00 0.00 C ATOM 417 C GLU A 150 0.179 0.810 11.586 1.00 0.00 C ATOM 418 O GLU A 150 1.389 0.859 11.481 1.00 0.00 O ATOM 419 CB GLU A 150 -1.318 2.425 10.407 1.00 0.00 C ATOM 420 CG GLU A 150 -2.192 3.669 10.577 1.00 0.00 C ATOM 421 CD GLU A 150 -2.975 3.923 9.287 1.00 0.00 C ATOM 422 OE1 GLU A 150 -2.697 3.253 8.307 1.00 0.00 O ATOM 423 OE2 GLU A 150 -3.841 4.783 9.303 1.00 0.00 O ATOM 0 H GLU A 150 1.201 3.127 11.866 1.00 0.00 H new ATOM 0 HA GLU A 150 -1.424 1.922 12.498 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -0.558 2.603 9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -1.923 1.586 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -2.880 3.532 11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -1.571 4.533 10.814 1.00 0.00 H new ATOM 430 N VAL A 151 -0.455 -0.330 11.569 1.00 0.00 N ATOM 431 CA VAL A 151 0.306 -1.602 11.421 1.00 0.00 C ATOM 432 C VAL A 151 -0.356 -2.472 10.350 1.00 0.00 C ATOM 433 O VAL A 151 -1.546 -2.395 10.120 1.00 0.00 O ATOM 434 CB VAL A 151 0.309 -2.353 12.754 1.00 0.00 C ATOM 435 CG1 VAL A 151 1.150 -3.623 12.623 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.904 -1.456 13.841 1.00 0.00 C ATOM 0 H VAL A 151 -1.466 -0.435 11.651 1.00 0.00 H new ATOM 0 HA VAL A 151 1.331 -1.378 11.126 1.00 0.00 H new ATOM 0 HB VAL A 151 -0.713 -2.622 13.023 1.00 0.00 H new ATOM 0 HG11 VAL A 151 1.152 -4.158 13.573 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.726 -4.262 11.848 1.00 0.00 H new ATOM 0 HG13 VAL A 151 2.172 -3.356 12.355 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.907 -1.989 14.792 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.926 -1.188 13.572 1.00 0.00 H new ATOM 0 HG23 VAL A 151 0.304 -0.551 13.935 1.00 0.00 H new ATOM 446 N ASP A 152 0.409 -3.300 9.691 1.00 0.00 N ATOM 447 CA ASP A 152 -0.175 -4.176 8.636 1.00 0.00 C ATOM 448 C ASP A 152 0.176 -5.634 8.934 1.00 0.00 C ATOM 449 O ASP A 152 1.258 -6.097 8.630 1.00 0.00 O ATOM 450 CB ASP A 152 0.396 -3.781 7.272 1.00 0.00 C ATOM 451 CG ASP A 152 -0.048 -2.358 6.925 1.00 0.00 C ATOM 452 OD1 ASP A 152 -0.961 -1.869 7.570 1.00 0.00 O ATOM 453 OD2 ASP A 152 0.534 -1.781 6.021 1.00 0.00 O ATOM 0 H ASP A 152 1.413 -3.407 9.838 1.00 0.00 H new ATOM 0 HA ASP A 152 -1.259 -4.059 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.484 -3.839 7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.053 -4.477 6.507 1.00 0.00 H new ATOM 458 N TYR A 153 -0.729 -6.363 9.527 1.00 0.00 N ATOM 459 CA TYR A 153 -0.445 -7.790 9.845 1.00 0.00 C ATOM 460 C TYR A 153 -0.302 -8.586 8.546 1.00 0.00 C ATOM 461 O TYR A 153 0.495 -9.498 8.451 1.00 0.00 O ATOM 462 CB TYR A 153 -1.598 -8.366 10.671 1.00 0.00 C ATOM 463 CG TYR A 153 -1.780 -7.540 11.922 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.994 -7.797 13.051 1.00 0.00 C ATOM 465 CD2 TYR A 153 -2.735 -6.517 11.952 1.00 0.00 C ATOM 466 CE1 TYR A 153 -1.162 -7.031 14.211 1.00 0.00 C ATOM 467 CE2 TYR A 153 -2.904 -5.751 13.112 1.00 0.00 C ATOM 468 CZ TYR A 153 -2.118 -6.008 14.240 1.00 0.00 C ATOM 469 OH TYR A 153 -2.285 -5.253 15.383 1.00 0.00 O ATOM 0 H TYR A 153 -1.653 -6.032 9.805 1.00 0.00 H new ATOM 0 HA TYR A 153 0.482 -7.857 10.415 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.517 -8.365 10.084 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -1.389 -9.403 10.934 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -0.257 -8.587 13.028 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -3.341 -6.319 11.081 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -0.555 -7.229 15.082 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -3.641 -4.962 13.136 1.00 0.00 H new ATOM 0 HH TYR A 153 -2.987 -4.586 15.235 1.00 0.00 H new ATOM 479 N GLU A 154 -1.069 -8.249 7.545 1.00 0.00 N ATOM 480 CA GLU A 154 -0.976 -8.989 6.255 1.00 0.00 C ATOM 481 C GLU A 154 0.384 -8.721 5.608 1.00 0.00 C ATOM 482 O GLU A 154 1.046 -9.623 5.135 1.00 0.00 O ATOM 483 CB GLU A 154 -2.089 -8.515 5.315 1.00 0.00 C ATOM 484 CG GLU A 154 -3.447 -8.934 5.882 1.00 0.00 C ATOM 485 CD GLU A 154 -4.546 -8.597 4.872 1.00 0.00 C ATOM 486 OE1 GLU A 154 -4.235 -7.959 3.880 1.00 0.00 O ATOM 487 OE2 GLU A 154 -5.679 -8.984 5.107 1.00 0.00 O ATOM 0 H GLU A 154 -1.755 -7.494 7.565 1.00 0.00 H new ATOM 0 HA GLU A 154 -1.085 -10.057 6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -2.048 -7.432 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -1.949 -8.944 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -3.450 -10.003 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -3.634 -8.420 6.825 1.00 0.00 H new ATOM 494 N LYS A 155 0.807 -7.486 5.584 1.00 0.00 N ATOM 495 CA LYS A 155 2.125 -7.162 4.967 1.00 0.00 C ATOM 496 C LYS A 155 3.218 -7.221 6.036 1.00 0.00 C ATOM 497 O LYS A 155 4.393 -7.144 5.740 1.00 0.00 O ATOM 498 CB LYS A 155 2.074 -5.757 4.364 1.00 0.00 C ATOM 499 CG LYS A 155 1.042 -5.724 3.234 1.00 0.00 C ATOM 500 CD LYS A 155 1.075 -4.354 2.554 1.00 0.00 C ATOM 501 CE LYS A 155 -0.007 -4.297 1.472 1.00 0.00 C ATOM 502 NZ LYS A 155 -0.904 -3.135 1.727 1.00 0.00 N ATOM 0 H LYS A 155 0.298 -6.688 5.964 1.00 0.00 H new ATOM 0 HA LYS A 155 2.347 -7.886 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 155 1.812 -5.029 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 155 3.056 -5.478 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.257 -6.508 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 155 0.046 -5.921 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 155 0.911 -3.567 3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 155 2.056 -4.178 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.452 -4.206 0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -0.584 -5.222 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -1.639 -3.096 0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -1.352 -3.240 2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -0.348 -2.256 1.707 1.00 0.00 H new ATOM 516 N SER A 156 2.840 -7.357 7.278 1.00 0.00 N ATOM 517 CA SER A 156 3.859 -7.422 8.364 1.00 0.00 C ATOM 518 C SER A 156 4.753 -6.182 8.302 1.00 0.00 C ATOM 519 O SER A 156 5.964 -6.279 8.273 1.00 0.00 O ATOM 520 CB SER A 156 4.714 -8.678 8.187 1.00 0.00 C ATOM 521 OG SER A 156 5.708 -8.720 9.201 1.00 0.00 O ATOM 0 H SER A 156 1.870 -7.426 7.587 1.00 0.00 H new ATOM 0 HA SER A 156 3.357 -7.458 9.331 1.00 0.00 H new ATOM 0 HB2 SER A 156 4.087 -9.568 8.240 1.00 0.00 H new ATOM 0 HB3 SER A 156 5.183 -8.676 7.203 1.00 0.00 H new ATOM 0 HG SER A 156 6.312 -7.955 9.099 1.00 0.00 H new ATOM 527 N ARG A 157 4.166 -5.016 8.284 1.00 0.00 N ATOM 528 CA ARG A 157 4.982 -3.770 8.226 1.00 0.00 C ATOM 529 C ARG A 157 4.461 -2.775 9.264 1.00 0.00 C ATOM 530 O ARG A 157 3.296 -2.773 9.605 1.00 0.00 O ATOM 531 CB ARG A 157 4.874 -3.154 6.829 1.00 0.00 C ATOM 532 CG ARG A 157 5.513 -4.095 5.805 1.00 0.00 C ATOM 533 CD ARG A 157 7.018 -4.188 6.067 1.00 0.00 C ATOM 534 NE ARG A 157 7.659 -4.995 4.991 1.00 0.00 N ATOM 535 CZ ARG A 157 7.523 -6.292 4.979 1.00 0.00 C ATOM 536 NH1 ARG A 157 8.110 -7.018 5.892 1.00 0.00 N ATOM 537 NH2 ARG A 157 6.801 -6.865 4.055 1.00 0.00 N ATOM 0 H ARG A 157 3.156 -4.873 8.307 1.00 0.00 H new ATOM 0 HA ARG A 157 6.025 -4.006 8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 157 3.828 -2.981 6.576 1.00 0.00 H new ATOM 0 HB3 ARG A 157 5.372 -2.185 6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 157 5.060 -5.084 5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 157 5.331 -3.728 4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.455 -3.190 6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.201 -4.646 7.039 1.00 0.00 H new ATOM 0 HE ARG A 157 8.204 -4.533 4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.675 -6.571 6.614 1.00 0.00 H new ATOM 0 HH12 ARG A 157 8.004 -8.032 5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 157 6.343 -6.298 3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 157 6.695 -7.879 4.046 1.00 0.00 H new ATOM 551 N LEU A 158 5.315 -1.928 9.771 1.00 0.00 N ATOM 552 CA LEU A 158 4.863 -0.937 10.787 1.00 0.00 C ATOM 553 C LEU A 158 5.069 0.479 10.249 1.00 0.00 C ATOM 554 O LEU A 158 6.087 0.788 9.661 1.00 0.00 O ATOM 555 CB LEU A 158 5.672 -1.115 12.073 1.00 0.00 C ATOM 556 CG LEU A 158 5.454 -2.524 12.617 1.00 0.00 C ATOM 557 CD1 LEU A 158 6.187 -3.522 11.724 1.00 0.00 C ATOM 558 CD2 LEU A 158 6.001 -2.615 14.043 1.00 0.00 C ATOM 0 H LEU A 158 6.304 -1.880 9.526 1.00 0.00 H new ATOM 0 HA LEU A 158 3.805 -1.095 10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.731 -0.949 11.876 1.00 0.00 H new ATOM 0 HB3 LEU A 158 5.366 -0.376 12.813 1.00 0.00 H new ATOM 0 HG LEU A 158 4.388 -2.752 12.627 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.036 -4.532 12.106 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.797 -3.456 10.708 1.00 0.00 H new ATOM 0 HD13 LEU A 158 7.252 -3.292 11.719 1.00 0.00 H new ATOM 0 HD21 LEU A 158 5.844 -3.622 14.429 1.00 0.00 H new ATOM 0 HD22 LEU A 158 7.068 -2.390 14.039 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.482 -1.898 14.678 1.00 0.00 H new ATOM 570 N LYS A 159 4.113 1.344 10.447 1.00 0.00 N ATOM 571 CA LYS A 159 4.256 2.740 9.949 1.00 0.00 C ATOM 572 C LYS A 159 4.697 3.646 11.100 1.00 0.00 C ATOM 573 O LYS A 159 3.884 4.194 11.818 1.00 0.00 O ATOM 574 CB LYS A 159 2.914 3.227 9.399 1.00 0.00 C ATOM 575 CG LYS A 159 2.528 2.386 8.182 1.00 0.00 C ATOM 576 CD LYS A 159 1.313 3.010 7.494 1.00 0.00 C ATOM 577 CE LYS A 159 0.857 2.107 6.345 1.00 0.00 C ATOM 578 NZ LYS A 159 0.585 2.938 5.139 1.00 0.00 N ATOM 0 H LYS A 159 3.239 1.144 10.933 1.00 0.00 H new ATOM 0 HA LYS A 159 5.003 2.769 9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 159 2.144 3.150 10.167 1.00 0.00 H new ATOM 0 HB3 LYS A 159 2.983 4.279 9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 159 3.365 2.330 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 159 2.301 1.365 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 159 0.503 3.141 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 159 1.565 4.000 7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 159 1.625 1.366 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -0.041 1.559 6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 0.275 2.325 4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -0.162 3.629 5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 1.452 3.441 4.861 1.00 0.00 H new ATOM 592 N VAL A 160 5.978 3.805 11.285 1.00 0.00 N ATOM 593 CA VAL A 160 6.470 4.671 12.393 1.00 0.00 C ATOM 594 C VAL A 160 7.277 5.835 11.813 1.00 0.00 C ATOM 595 O VAL A 160 8.000 5.683 10.849 1.00 0.00 O ATOM 596 CB VAL A 160 7.360 3.848 13.326 1.00 0.00 C ATOM 597 CG1 VAL A 160 7.798 4.713 14.509 1.00 0.00 C ATOM 598 CG2 VAL A 160 6.577 2.638 13.841 1.00 0.00 C ATOM 0 H VAL A 160 6.706 3.372 10.716 1.00 0.00 H new ATOM 0 HA VAL A 160 5.620 5.062 12.952 1.00 0.00 H new ATOM 0 HB VAL A 160 8.240 3.507 12.781 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.432 4.126 15.174 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.356 5.575 14.143 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.919 5.055 15.055 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.210 2.051 14.506 1.00 0.00 H new ATOM 0 HG22 VAL A 160 5.697 2.979 14.386 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.265 2.021 12.998 1.00 0.00 H new ATOM 608 N SER A 161 7.164 6.996 12.398 1.00 0.00 N ATOM 609 CA SER A 161 7.927 8.168 11.883 1.00 0.00 C ATOM 610 C SER A 161 8.984 8.577 12.910 1.00 0.00 C ATOM 611 O SER A 161 8.725 8.626 14.096 1.00 0.00 O ATOM 612 CB SER A 161 6.968 9.336 11.645 1.00 0.00 C ATOM 613 OG SER A 161 7.671 10.409 11.035 1.00 0.00 O ATOM 0 H SER A 161 6.576 7.184 13.210 1.00 0.00 H new ATOM 0 HA SER A 161 8.414 7.902 10.945 1.00 0.00 H new ATOM 0 HB2 SER A 161 6.143 9.019 11.008 1.00 0.00 H new ATOM 0 HB3 SER A 161 6.534 9.662 12.590 1.00 0.00 H new ATOM 0 HG SER A 161 8.231 10.855 11.704 1.00 0.00 H new ATOM 619 N VAL A 162 10.176 8.870 12.466 1.00 0.00 N ATOM 620 CA VAL A 162 11.247 9.273 13.419 1.00 0.00 C ATOM 621 C VAL A 162 11.517 10.773 13.280 1.00 0.00 C ATOM 622 O VAL A 162 11.668 11.287 12.189 1.00 0.00 O ATOM 623 CB VAL A 162 12.526 8.494 13.108 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.561 8.753 14.205 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.211 6.998 13.048 1.00 0.00 C ATOM 0 H VAL A 162 10.454 8.848 11.485 1.00 0.00 H new ATOM 0 HA VAL A 162 10.927 9.055 14.438 1.00 0.00 H new ATOM 0 HB VAL A 162 12.925 8.820 12.147 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.473 8.198 13.984 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.786 9.819 14.248 1.00 0.00 H new ATOM 0 HG13 VAL A 162 13.162 8.427 15.166 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.122 6.443 12.826 1.00 0.00 H new ATOM 0 HG22 VAL A 162 11.812 6.671 14.008 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.474 6.812 12.267 1.00 0.00 H new ATOM 635 N SER A 163 11.578 11.478 14.375 1.00 0.00 N ATOM 636 CA SER A 163 11.838 12.944 14.305 1.00 0.00 C ATOM 637 C SER A 163 13.331 13.187 14.076 1.00 0.00 C ATOM 638 O SER A 163 14.077 13.446 14.999 1.00 0.00 O ATOM 639 CB SER A 163 11.410 13.601 15.618 1.00 0.00 C ATOM 640 OG SER A 163 11.577 15.008 15.519 1.00 0.00 O ATOM 0 H SER A 163 11.459 11.103 15.316 1.00 0.00 H new ATOM 0 HA SER A 163 11.269 13.375 13.481 1.00 0.00 H new ATOM 0 HB2 SER A 163 10.369 13.362 15.834 1.00 0.00 H new ATOM 0 HB3 SER A 163 12.005 13.210 16.444 1.00 0.00 H new ATOM 0 HG SER A 163 11.302 15.430 16.359 1.00 0.00 H new ATOM 692 N ARG A 167 12.543 17.073 11.814 1.00 0.00 N ATOM 693 CA ARG A 167 11.380 16.841 10.913 1.00 0.00 C ATOM 694 C ARG A 167 10.934 15.381 11.022 1.00 0.00 C ATOM 695 O ARG A 167 11.746 14.479 11.089 1.00 0.00 O ATOM 696 CB ARG A 167 11.786 17.143 9.469 1.00 0.00 C ATOM 697 CG ARG A 167 12.028 18.646 9.311 1.00 0.00 C ATOM 698 CD ARG A 167 12.279 18.969 7.837 1.00 0.00 C ATOM 699 NE ARG A 167 10.991 18.912 7.090 1.00 0.00 N ATOM 700 CZ ARG A 167 10.993 18.922 5.785 1.00 0.00 C ATOM 701 NH1 ARG A 167 12.071 19.267 5.136 1.00 0.00 N ATOM 702 NH2 ARG A 167 9.916 18.586 5.128 1.00 0.00 N ATOM 0 HA ARG A 167 10.558 17.495 11.204 1.00 0.00 H new ATOM 0 HB2 ARG A 167 12.689 16.589 9.210 1.00 0.00 H new ATOM 0 HB3 ARG A 167 11.004 16.816 8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 167 11.166 19.204 9.675 1.00 0.00 H new ATOM 0 HG3 ARG A 167 12.884 18.953 9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 167 12.724 19.960 7.741 1.00 0.00 H new ATOM 0 HD3 ARG A 167 12.989 18.259 7.414 1.00 0.00 H new ATOM 0 HE ARG A 167 10.108 18.865 7.598 1.00 0.00 H new ATOM 0 HH11 ARG A 167 12.913 19.529 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 167 12.072 19.275 4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 167 9.073 18.316 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 167 9.918 18.594 4.108 1.00 0.00 H new ATOM 716 N ALA A 168 9.652 15.141 11.043 1.00 0.00 N ATOM 717 CA ALA A 168 9.159 13.740 11.149 1.00 0.00 C ATOM 718 C ALA A 168 9.485 12.984 9.860 1.00 0.00 C ATOM 719 O ALA A 168 9.384 13.517 8.773 1.00 0.00 O ATOM 720 CB ALA A 168 7.644 13.748 11.367 1.00 0.00 C ATOM 0 H ALA A 168 8.925 15.855 10.991 1.00 0.00 H new ATOM 0 HA ALA A 168 9.645 13.247 11.991 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.282 12.723 11.445 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.412 14.286 12.286 1.00 0.00 H new ATOM 0 HB3 ALA A 168 7.158 14.241 10.525 1.00 0.00 H new ATOM 726 N THR A 169 9.876 11.743 9.972 1.00 0.00 N ATOM 727 CA THR A 169 10.209 10.954 8.752 1.00 0.00 C ATOM 728 C THR A 169 9.441 9.631 8.778 1.00 0.00 C ATOM 729 O THR A 169 10.001 8.583 9.032 1.00 0.00 O ATOM 730 CB THR A 169 11.712 10.669 8.721 1.00 0.00 C ATOM 731 OG1 THR A 169 12.423 11.861 9.027 1.00 0.00 O ATOM 732 CG2 THR A 169 12.112 10.177 7.330 1.00 0.00 C ATOM 0 H THR A 169 9.979 11.242 10.855 1.00 0.00 H new ATOM 0 HA THR A 169 9.929 11.522 7.865 1.00 0.00 H new ATOM 0 HB THR A 169 11.952 9.902 9.457 1.00 0.00 H new ATOM 0 HG1 THR A 169 13.386 11.681 9.010 1.00 0.00 H new ATOM 0 HG21 THR A 169 13.183 9.975 7.310 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.565 9.263 7.096 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.873 10.942 6.591 1.00 0.00 H new ATOM 740 N PRO A 170 8.128 9.686 8.508 1.00 0.00 N ATOM 741 CA PRO A 170 7.272 8.493 8.499 1.00 0.00 C ATOM 742 C PRO A 170 7.820 7.406 7.569 1.00 0.00 C ATOM 743 O PRO A 170 7.728 7.504 6.361 1.00 0.00 O ATOM 744 CB PRO A 170 5.938 9.012 7.964 1.00 0.00 C ATOM 745 CG PRO A 170 6.299 10.216 7.161 1.00 0.00 C ATOM 746 CD PRO A 170 7.488 10.833 7.840 1.00 0.00 C ATOM 0 HA PRO A 170 7.202 8.034 9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.438 8.262 7.351 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.257 9.266 8.776 1.00 0.00 H new ATOM 0 HG2 PRO A 170 6.537 9.941 6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.467 10.919 7.118 1.00 0.00 H new ATOM 0 HD2 PRO A 170 8.159 11.308 7.124 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.190 11.600 8.555 1.00 0.00 H new ATOM 754 N VAL A 171 8.390 6.370 8.123 1.00 0.00 N ATOM 755 CA VAL A 171 8.942 5.280 7.271 1.00 0.00 C ATOM 756 C VAL A 171 8.387 3.935 7.743 1.00 0.00 C ATOM 757 O VAL A 171 7.934 3.798 8.862 1.00 0.00 O ATOM 758 CB VAL A 171 10.468 5.269 7.384 1.00 0.00 C ATOM 759 CG1 VAL A 171 11.018 6.646 7.006 1.00 0.00 C ATOM 760 CG2 VAL A 171 10.872 4.936 8.821 1.00 0.00 C ATOM 0 H VAL A 171 8.497 6.232 9.128 1.00 0.00 H new ATOM 0 HA VAL A 171 8.655 5.448 6.233 1.00 0.00 H new ATOM 0 HB VAL A 171 10.876 4.517 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 171 12.105 6.638 7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 171 10.732 6.883 5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.610 7.399 7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 171 11.959 4.928 8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.464 5.687 9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.481 3.955 9.091 1.00 0.00 H new ATOM 770 N GLU A 172 8.417 2.940 6.899 1.00 0.00 N ATOM 771 CA GLU A 172 7.890 1.606 7.301 1.00 0.00 C ATOM 772 C GLU A 172 9.059 0.671 7.619 1.00 0.00 C ATOM 773 O GLU A 172 9.998 0.555 6.856 1.00 0.00 O ATOM 774 CB GLU A 172 7.061 1.018 6.157 1.00 0.00 C ATOM 775 CG GLU A 172 5.868 1.933 5.871 1.00 0.00 C ATOM 776 CD GLU A 172 4.997 1.309 4.779 1.00 0.00 C ATOM 777 OE1 GLU A 172 5.424 0.325 4.197 1.00 0.00 O ATOM 778 OE2 GLU A 172 3.917 1.826 4.544 1.00 0.00 O ATOM 0 H GLU A 172 8.784 2.994 5.949 1.00 0.00 H new ATOM 0 HA GLU A 172 7.261 1.715 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 172 7.676 0.914 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 172 6.712 0.020 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.283 2.079 6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 172 6.217 2.916 5.555 1.00 0.00 H new ATOM 785 N LEU A 173 9.011 0.005 8.741 1.00 0.00 N ATOM 786 CA LEU A 173 10.121 -0.919 9.106 1.00 0.00 C ATOM 787 C LEU A 173 9.555 -2.313 9.386 1.00 0.00 C ATOM 788 O LEU A 173 8.378 -2.477 9.638 1.00 0.00 O ATOM 789 CB LEU A 173 10.828 -0.396 10.359 1.00 0.00 C ATOM 790 CG LEU A 173 11.240 1.061 10.142 1.00 0.00 C ATOM 791 CD1 LEU A 173 11.979 1.573 11.380 1.00 0.00 C ATOM 792 CD2 LEU A 173 12.160 1.157 8.924 1.00 0.00 C ATOM 0 H LEU A 173 8.252 0.061 9.420 1.00 0.00 H new ATOM 0 HA LEU A 173 10.832 -0.975 8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 173 10.166 -0.473 11.222 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.706 -1.005 10.575 1.00 0.00 H new ATOM 0 HG LEU A 173 10.350 1.667 9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.272 2.611 11.225 1.00 0.00 H new ATOM 0 HD12 LEU A 173 11.323 1.507 12.248 1.00 0.00 H new ATOM 0 HD13 LEU A 173 12.868 0.966 11.550 1.00 0.00 H new ATOM 0 HD21 LEU A 173 12.453 2.196 8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 173 13.050 0.550 9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 173 11.634 0.794 8.041 1.00 0.00 H new ATOM 804 N ASP A 174 10.386 -3.319 9.343 1.00 0.00 N ATOM 805 CA ASP A 174 9.898 -4.703 9.605 1.00 0.00 C ATOM 806 C ASP A 174 9.838 -4.948 11.115 1.00 0.00 C ATOM 807 O ASP A 174 10.214 -4.106 11.906 1.00 0.00 O ATOM 808 CB ASP A 174 10.856 -5.708 8.963 1.00 0.00 C ATOM 809 CG ASP A 174 10.796 -5.569 7.440 1.00 0.00 C ATOM 810 OD1 ASP A 174 9.869 -4.939 6.959 1.00 0.00 O ATOM 811 OD2 ASP A 174 11.678 -6.095 6.783 1.00 0.00 O ATOM 0 H ASP A 174 11.382 -3.242 9.138 1.00 0.00 H new ATOM 0 HA ASP A 174 8.902 -4.824 9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 174 11.873 -5.533 9.315 1.00 0.00 H new ATOM 0 HB3 ASP A 174 10.587 -6.722 9.257 1.00 0.00 H new ATOM 816 N PHE A 175 9.367 -6.097 11.519 1.00 0.00 N ATOM 817 CA PHE A 175 9.283 -6.397 12.977 1.00 0.00 C ATOM 818 C PHE A 175 10.692 -6.485 13.565 1.00 0.00 C ATOM 819 O PHE A 175 10.949 -6.029 14.661 1.00 0.00 O ATOM 820 CB PHE A 175 8.562 -7.732 13.180 1.00 0.00 C ATOM 821 CG PHE A 175 7.070 -7.506 13.176 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.509 -6.559 12.311 1.00 0.00 C ATOM 823 CD2 PHE A 175 6.246 -8.239 14.039 1.00 0.00 C ATOM 824 CE1 PHE A 175 5.126 -6.347 12.306 1.00 0.00 C ATOM 825 CE2 PHE A 175 4.862 -8.027 14.033 1.00 0.00 C ATOM 826 CZ PHE A 175 4.302 -7.081 13.167 1.00 0.00 C ATOM 0 H PHE A 175 9.037 -6.840 10.903 1.00 0.00 H new ATOM 0 HA PHE A 175 8.731 -5.603 13.479 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.837 -8.429 12.389 1.00 0.00 H new ATOM 0 HB3 PHE A 175 8.869 -8.183 14.123 1.00 0.00 H new ATOM 0 HD1 PHE A 175 7.144 -5.992 11.647 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.678 -8.968 14.709 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.694 -5.617 11.638 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.226 -8.594 14.697 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.234 -6.917 13.163 1.00 0.00 H new ATOM 836 N SER A 176 11.609 -7.074 12.845 1.00 0.00 N ATOM 837 CA SER A 176 13.001 -7.194 13.364 1.00 0.00 C ATOM 838 C SER A 176 13.742 -5.870 13.159 1.00 0.00 C ATOM 839 O SER A 176 14.669 -5.550 13.876 1.00 0.00 O ATOM 840 CB SER A 176 13.730 -8.307 12.609 1.00 0.00 C ATOM 841 OG SER A 176 12.944 -9.490 12.637 1.00 0.00 O ATOM 0 H SER A 176 11.454 -7.477 11.921 1.00 0.00 H new ATOM 0 HA SER A 176 12.972 -7.431 14.427 1.00 0.00 H new ATOM 0 HB2 SER A 176 13.913 -8.003 11.578 1.00 0.00 H new ATOM 0 HB3 SER A 176 14.703 -8.493 13.064 1.00 0.00 H new ATOM 0 HG SER A 176 13.409 -10.203 12.152 1.00 0.00 H new ATOM 847 N GLN A 177 13.342 -5.098 12.185 1.00 0.00 N ATOM 848 CA GLN A 177 14.025 -3.798 11.937 1.00 0.00 C ATOM 849 C GLN A 177 13.759 -2.849 13.108 1.00 0.00 C ATOM 850 O GLN A 177 14.573 -2.008 13.435 1.00 0.00 O ATOM 851 CB GLN A 177 13.486 -3.177 10.646 1.00 0.00 C ATOM 852 CG GLN A 177 13.980 -3.987 9.446 1.00 0.00 C ATOM 853 CD GLN A 177 15.507 -3.925 9.383 1.00 0.00 C ATOM 854 OE1 GLN A 177 16.086 -2.857 9.423 1.00 0.00 O ATOM 855 NE2 GLN A 177 16.190 -5.033 9.285 1.00 0.00 N ATOM 0 H GLN A 177 12.572 -5.312 11.551 1.00 0.00 H new ATOM 0 HA GLN A 177 15.098 -3.965 11.841 1.00 0.00 H new ATOM 0 HB2 GLN A 177 12.396 -3.162 10.664 1.00 0.00 H new ATOM 0 HB3 GLN A 177 13.818 -2.142 10.561 1.00 0.00 H new ATOM 0 HG2 GLN A 177 13.651 -5.022 9.532 1.00 0.00 H new ATOM 0 HG3 GLN A 177 13.551 -3.592 8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 177 15.705 -5.930 9.251 1.00 0.00 H new ATOM 0 HE22 GLN A 177 17.209 -5.002 9.242 1.00 0.00 H new ATOM 864 N VAL A 178 12.626 -2.976 13.741 1.00 0.00 N ATOM 865 CA VAL A 178 12.311 -2.080 14.890 1.00 0.00 C ATOM 866 C VAL A 178 11.968 -2.928 16.116 1.00 0.00 C ATOM 867 O VAL A 178 11.596 -4.079 16.003 1.00 0.00 O ATOM 868 CB VAL A 178 11.117 -1.193 14.533 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.392 -0.478 13.209 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.861 -2.055 14.396 1.00 0.00 C ATOM 0 H VAL A 178 11.905 -3.661 13.513 1.00 0.00 H new ATOM 0 HA VAL A 178 13.175 -1.453 15.111 1.00 0.00 H new ATOM 0 HB VAL A 178 10.965 -0.455 15.321 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.542 0.154 12.954 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.286 0.138 13.307 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.545 -1.216 12.422 1.00 0.00 H new ATOM 0 HG21 VAL A 178 9.011 -1.422 14.142 1.00 0.00 H new ATOM 0 HG22 VAL A 178 10.011 -2.794 13.609 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.665 -2.564 15.339 1.00 0.00 H new ATOM 880 N GLU A 179 12.090 -2.369 17.288 1.00 0.00 N ATOM 881 CA GLU A 179 11.772 -3.143 18.520 1.00 0.00 C ATOM 882 C GLU A 179 10.651 -2.441 19.289 1.00 0.00 C ATOM 883 O GLU A 179 10.587 -1.229 19.343 1.00 0.00 O ATOM 884 CB GLU A 179 13.019 -3.234 19.403 1.00 0.00 C ATOM 885 CG GLU A 179 12.791 -4.274 20.500 1.00 0.00 C ATOM 886 CD GLU A 179 13.951 -4.224 21.497 1.00 0.00 C ATOM 887 OE1 GLU A 179 14.861 -3.442 21.278 1.00 0.00 O ATOM 888 OE2 GLU A 179 13.910 -4.969 22.463 1.00 0.00 O ATOM 0 H GLU A 179 12.396 -1.409 17.446 1.00 0.00 H new ATOM 0 HA GLU A 179 11.449 -4.147 18.244 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.885 -3.509 18.801 1.00 0.00 H new ATOM 0 HB3 GLU A 179 13.235 -2.262 19.847 1.00 0.00 H new ATOM 0 HG2 GLU A 179 11.849 -4.078 21.012 1.00 0.00 H new ATOM 0 HG3 GLU A 179 12.716 -5.270 20.063 1.00 0.00 H new ATOM 895 N LYS A 180 9.768 -3.194 19.886 1.00 0.00 N ATOM 896 CA LYS A 180 8.652 -2.568 20.651 1.00 0.00 C ATOM 897 C LYS A 180 9.227 -1.701 21.772 1.00 0.00 C ATOM 898 O LYS A 180 10.192 -2.062 22.418 1.00 0.00 O ATOM 899 CB LYS A 180 7.770 -3.664 21.254 1.00 0.00 C ATOM 900 CG LYS A 180 6.437 -3.060 21.698 1.00 0.00 C ATOM 901 CD LYS A 180 5.615 -4.123 22.430 1.00 0.00 C ATOM 902 CE LYS A 180 4.993 -5.079 21.410 1.00 0.00 C ATOM 903 NZ LYS A 180 3.701 -5.599 21.941 1.00 0.00 N ATOM 0 H LYS A 180 9.771 -4.214 19.877 1.00 0.00 H new ATOM 0 HA LYS A 180 8.055 -1.948 19.982 1.00 0.00 H new ATOM 0 HB2 LYS A 180 7.598 -4.452 20.520 1.00 0.00 H new ATOM 0 HB3 LYS A 180 8.274 -4.124 22.104 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.612 -2.206 22.352 1.00 0.00 H new ATOM 0 HG3 LYS A 180 5.886 -2.691 20.833 1.00 0.00 H new ATOM 0 HD2 LYS A 180 6.250 -4.676 23.122 1.00 0.00 H new ATOM 0 HD3 LYS A 180 4.833 -3.649 23.024 1.00 0.00 H new ATOM 0 HE2 LYS A 180 4.828 -4.562 20.464 1.00 0.00 H new ATOM 0 HE3 LYS A 180 5.674 -5.905 21.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 3.277 -6.249 21.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 3.871 -6.106 22.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 3.052 -4.805 22.113 1.00 0.00 H new ATOM 917 N ALA A 181 8.644 -0.558 22.010 1.00 0.00 N ATOM 918 CA ALA A 181 9.158 0.331 23.089 1.00 0.00 C ATOM 919 C ALA A 181 9.208 -0.444 24.407 1.00 0.00 C ATOM 920 O ALA A 181 8.330 -1.227 24.711 1.00 0.00 O ATOM 921 CB ALA A 181 8.231 1.537 23.241 1.00 0.00 C ATOM 0 H ALA A 181 7.834 -0.202 21.503 1.00 0.00 H new ATOM 0 HA ALA A 181 10.160 0.674 22.831 1.00 0.00 H new ATOM 0 HB1 ALA A 181 8.607 2.188 24.031 1.00 0.00 H new ATOM 0 HB2 ALA A 181 8.195 2.089 22.302 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.229 1.195 23.499 1.00 0.00 H new