USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 CYS SG : rot 3:sc= 1.27 USER MOD Set 1.2: A 62 THR OG1 : rot 125:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.147) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.0567 (180deg=-0.636) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.79) USER MOD Single : A 42 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 49 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.21) USER MOD Single : A 51 MET CE :methyl 139:sc= -0.305 (180deg=-1.55!) USER MOD Single : A 53 SER OG : rot 165:sc= -0.707 USER MOD Single : A 60 ASN : amide:sc= -4.01! C(o=-4!,f=-6.5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N ILE A 9 -14.570 -6.619 2.958 1.00 0.00 N ATOM 122 CA ILE A 9 -14.194 -5.408 3.671 1.00 0.00 C ATOM 123 C ILE A 9 -13.366 -5.751 4.901 1.00 0.00 C ATOM 124 O ILE A 9 -12.330 -5.143 5.141 1.00 0.00 O ATOM 125 CB ILE A 9 -15.444 -4.630 4.095 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.406 -4.529 2.904 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.043 -3.216 4.543 1.00 0.00 C ATOM 128 CD1 ILE A 9 -15.667 -4.012 1.667 1.00 0.00 C ATOM 0 HA ILE A 9 -13.597 -4.789 3.001 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.932 -5.149 4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.840 -5.507 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.231 -3.860 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.933 -2.664 4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.355 -3.283 5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.556 -2.697 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.362 -3.945 0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.254 -3.025 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.858 -4.697 1.414 1.00 0.00 H new ATOM 140 N VAL A 10 -13.822 -6.730 5.677 1.00 0.00 N ATOM 141 CA VAL A 10 -13.097 -7.117 6.881 1.00 0.00 C ATOM 142 C VAL A 10 -11.686 -7.562 6.519 1.00 0.00 C ATOM 143 O VAL A 10 -10.717 -7.128 7.142 1.00 0.00 O ATOM 144 CB VAL A 10 -13.831 -8.249 7.616 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.669 -9.560 6.860 1.00 0.00 C ATOM 146 CG2 VAL A 10 -13.262 -8.397 9.027 1.00 0.00 C ATOM 0 H VAL A 10 -14.674 -7.261 5.498 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.042 -6.253 7.543 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.891 -8.004 7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.194 -10.354 7.392 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.086 -9.456 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.611 -9.810 6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.784 -9.200 9.547 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.199 -8.633 8.968 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.397 -7.463 9.573 1.00 0.00 H new ATOM 156 N ASP A 11 -11.569 -8.419 5.508 1.00 0.00 N ATOM 157 CA ASP A 11 -10.248 -8.885 5.097 1.00 0.00 C ATOM 158 C ASP A 11 -9.414 -7.708 4.589 1.00 0.00 C ATOM 159 O ASP A 11 -8.304 -7.470 5.064 1.00 0.00 O ATOM 160 CB ASP A 11 -10.384 -9.947 4.006 1.00 0.00 C ATOM 161 CG ASP A 11 -9.005 -10.444 3.585 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.028 -9.867 4.031 1.00 0.00 O ATOM 163 OD2 ASP A 11 -8.947 -11.399 2.828 1.00 0.00 O ATOM 0 H ASP A 11 -12.350 -8.796 4.971 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.744 -9.328 5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.984 -10.781 4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.908 -9.531 3.145 1.00 0.00 H new ATOM 168 N PHE A 12 -9.958 -6.973 3.626 1.00 0.00 N ATOM 169 CA PHE A 12 -9.250 -5.819 3.071 1.00 0.00 C ATOM 170 C PHE A 12 -9.010 -4.785 4.145 1.00 0.00 C ATOM 171 O PHE A 12 -7.878 -4.342 4.342 1.00 0.00 O ATOM 172 CB PHE A 12 -10.060 -5.218 1.918 1.00 0.00 C ATOM 173 CG PHE A 12 -10.318 -6.270 0.842 1.00 0.00 C ATOM 174 CD1 PHE A 12 -9.538 -7.450 0.754 1.00 0.00 C ATOM 175 CD2 PHE A 12 -11.345 -6.066 -0.092 1.00 0.00 C ATOM 176 CE1 PHE A 12 -9.787 -8.382 -0.233 1.00 0.00 C ATOM 177 CE2 PHE A 12 -11.585 -7.018 -1.090 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.804 -8.175 -1.155 1.00 0.00 C ATOM 0 H PHE A 12 -10.875 -7.150 3.216 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.283 -6.146 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.008 -4.833 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.521 -4.374 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.743 -7.621 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.951 -5.174 -0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.187 -9.278 -0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.374 -6.858 -1.810 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.992 -8.910 -1.924 1.00 0.00 H new ATOM 188 N LYS A 13 -10.063 -4.398 4.838 1.00 0.00 N ATOM 189 CA LYS A 13 -9.933 -3.406 5.884 1.00 0.00 C ATOM 190 C LYS A 13 -8.823 -3.805 6.846 1.00 0.00 C ATOM 191 O LYS A 13 -8.039 -2.961 7.278 1.00 0.00 O ATOM 192 CB LYS A 13 -11.261 -3.263 6.638 1.00 0.00 C ATOM 193 CG LYS A 13 -11.173 -2.172 7.715 1.00 0.00 C ATOM 194 CD LYS A 13 -11.070 -0.785 7.064 1.00 0.00 C ATOM 195 CE LYS A 13 -11.381 0.288 8.105 1.00 0.00 C ATOM 196 NZ LYS A 13 -10.339 0.258 9.169 1.00 0.00 N ATOM 0 H LYS A 13 -11.009 -4.752 4.697 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.679 -2.447 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.057 -3.020 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.524 -4.214 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.052 -2.215 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.305 -2.348 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.069 -0.635 6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.767 -0.710 6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.408 1.271 7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.366 0.115 8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.437 1.098 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.456 -0.600 9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.396 0.256 8.731 1.00 0.00 H new ATOM 210 N GLU A 14 -8.743 -5.090 7.175 1.00 0.00 N ATOM 211 CA GLU A 14 -7.702 -5.557 8.078 1.00 0.00 C ATOM 212 C GLU A 14 -6.344 -5.454 7.407 1.00 0.00 C ATOM 213 O GLU A 14 -5.359 -5.057 8.028 1.00 0.00 O ATOM 214 CB GLU A 14 -7.962 -7.004 8.473 1.00 0.00 C ATOM 215 CG GLU A 14 -7.075 -7.382 9.664 1.00 0.00 C ATOM 216 CD GLU A 14 -7.564 -6.676 10.925 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.608 -6.046 10.860 1.00 0.00 O ATOM 218 OE2 GLU A 14 -6.890 -6.776 11.937 1.00 0.00 O ATOM 0 H GLU A 14 -9.376 -5.815 6.836 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.711 -4.932 8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.012 -7.137 8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.756 -7.664 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.092 -8.462 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.041 -7.105 9.460 1.00 0.00 H new ATOM 225 N ALA A 15 -6.302 -5.798 6.128 1.00 0.00 N ATOM 226 CA ALA A 15 -5.049 -5.721 5.383 1.00 0.00 C ATOM 227 C ALA A 15 -4.548 -4.282 5.348 1.00 0.00 C ATOM 228 O ALA A 15 -3.387 -4.016 5.660 1.00 0.00 O ATOM 229 CB ALA A 15 -5.235 -6.237 3.952 1.00 0.00 C ATOM 0 H ALA A 15 -7.104 -6.128 5.590 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.313 -6.348 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.289 -6.170 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.564 -7.276 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.985 -5.632 3.442 1.00 0.00 H new ATOM 235 N PHE A 16 -5.422 -3.348 4.971 1.00 0.00 N ATOM 236 CA PHE A 16 -5.038 -1.945 4.907 1.00 0.00 C ATOM 237 C PHE A 16 -4.646 -1.426 6.287 1.00 0.00 C ATOM 238 O PHE A 16 -3.602 -0.796 6.447 1.00 0.00 O ATOM 239 CB PHE A 16 -6.203 -1.116 4.370 1.00 0.00 C ATOM 240 CG PHE A 16 -5.762 0.314 4.185 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.894 1.228 5.236 1.00 0.00 C ATOM 242 CD2 PHE A 16 -5.221 0.728 2.961 1.00 0.00 C ATOM 243 CE1 PHE A 16 -5.487 2.556 5.065 1.00 0.00 C ATOM 244 CE2 PHE A 16 -4.815 2.057 2.790 1.00 0.00 C ATOM 245 CZ PHE A 16 -4.946 2.968 3.841 1.00 0.00 C ATOM 0 H PHE A 16 -6.389 -3.538 4.709 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.180 -1.855 4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.548 -1.527 3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.044 -1.161 5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.310 0.908 6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.117 0.023 2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.590 3.262 5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.401 2.378 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.629 3.992 3.709 1.00 0.00 H new ATOM 255 N GLY A 17 -5.492 -1.685 7.279 1.00 0.00 N ATOM 256 CA GLY A 17 -5.208 -1.220 8.627 1.00 0.00 C ATOM 257 C GLY A 17 -3.837 -1.698 9.073 1.00 0.00 C ATOM 258 O GLY A 17 -3.033 -0.913 9.577 1.00 0.00 O ATOM 0 H GLY A 17 -6.364 -2.205 7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.249 -0.131 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.970 -1.588 9.314 1.00 0.00 H new ATOM 262 N LEU A 18 -3.565 -2.982 8.884 1.00 0.00 N ATOM 263 CA LEU A 18 -2.279 -3.536 9.273 1.00 0.00 C ATOM 264 C LEU A 18 -1.163 -2.869 8.468 1.00 0.00 C ATOM 265 O LEU A 18 -0.085 -2.589 8.989 1.00 0.00 O ATOM 266 CB LEU A 18 -2.289 -5.061 9.023 1.00 0.00 C ATOM 267 CG LEU A 18 -1.419 -5.792 10.060 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.544 -7.309 9.865 1.00 0.00 C ATOM 269 CD2 LEU A 18 0.047 -5.372 9.895 1.00 0.00 C ATOM 0 H LEU A 18 -4.211 -3.652 8.468 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.100 -3.348 10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.312 -5.435 9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.920 -5.272 8.019 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.759 -5.528 11.061 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.926 -7.823 10.602 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.584 -7.608 9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.210 -7.576 8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.660 -5.892 10.631 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.388 -5.629 8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.136 -4.296 10.044 1.00 0.00 H new ATOM 281 N PHE A 19 -1.429 -2.625 7.191 1.00 0.00 N ATOM 282 CA PHE A 19 -0.436 -2.007 6.318 1.00 0.00 C ATOM 283 C PHE A 19 -0.118 -0.612 6.786 1.00 0.00 C ATOM 284 O PHE A 19 1.042 -0.203 6.826 1.00 0.00 O ATOM 285 CB PHE A 19 -0.958 -1.978 4.874 1.00 0.00 C ATOM 286 CG PHE A 19 -0.980 -3.384 4.275 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.885 -4.544 5.087 1.00 0.00 C ATOM 288 CD2 PHE A 19 -1.094 -3.532 2.882 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.903 -5.807 4.509 1.00 0.00 C ATOM 290 CE2 PHE A 19 -1.108 -4.814 2.312 1.00 0.00 C ATOM 291 CZ PHE A 19 -1.013 -5.948 3.127 1.00 0.00 C ATOM 0 H PHE A 19 -2.317 -2.843 6.738 1.00 0.00 H new ATOM 0 HA PHE A 19 0.479 -2.598 6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.962 -1.554 4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.326 -1.329 4.267 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.798 -4.444 6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.171 -2.659 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.831 -6.685 5.134 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.192 -4.926 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.025 -6.933 2.684 1.00 0.00 H new ATOM 301 N ASP A 20 -1.153 0.110 7.145 1.00 0.00 N ATOM 302 CA ASP A 20 -0.987 1.466 7.619 1.00 0.00 C ATOM 303 C ASP A 20 -0.601 1.466 9.095 1.00 0.00 C ATOM 304 O ASP A 20 -1.244 2.106 9.922 1.00 0.00 O ATOM 305 CB ASP A 20 -2.295 2.211 7.400 1.00 0.00 C ATOM 306 CG ASP A 20 -2.189 3.638 7.923 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.166 3.962 8.502 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.131 4.389 7.730 1.00 0.00 O ATOM 0 H ASP A 20 -2.119 -0.217 7.118 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.187 1.963 7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.540 2.224 6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.107 1.690 7.908 1.00 0.00 H new ATOM 313 N LYS A 21 0.439 0.704 9.419 1.00 0.00 N ATOM 314 CA LYS A 21 0.901 0.585 10.797 1.00 0.00 C ATOM 315 C LYS A 21 0.821 1.919 11.541 1.00 0.00 C ATOM 316 O LYS A 21 0.688 1.939 12.765 1.00 0.00 O ATOM 317 CB LYS A 21 2.352 0.079 10.825 1.00 0.00 C ATOM 318 CG LYS A 21 2.799 -0.198 12.286 1.00 0.00 C ATOM 319 CD LYS A 21 3.657 0.963 12.803 1.00 0.00 C ATOM 320 CE LYS A 21 4.125 0.657 14.221 1.00 0.00 C ATOM 321 NZ LYS A 21 2.938 0.489 15.107 1.00 0.00 N ATOM 0 H LYS A 21 0.978 0.160 8.745 1.00 0.00 H new ATOM 0 HA LYS A 21 0.246 -0.127 11.299 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.438 -0.832 10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.011 0.819 10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.925 -0.327 12.924 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.366 -1.128 12.331 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.516 1.113 12.149 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.081 1.888 12.790 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.730 -0.250 14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.757 1.465 14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.220 0.635 16.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.210 1.185 14.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.554 -0.471 14.995 1.00 0.00 H new ATOM 335 N ASP A 22 0.911 3.031 10.813 1.00 0.00 N ATOM 336 CA ASP A 22 0.852 4.351 11.439 1.00 0.00 C ATOM 337 C ASP A 22 -0.592 4.804 11.666 1.00 0.00 C ATOM 338 O ASP A 22 -0.862 5.615 12.551 1.00 0.00 O ATOM 339 CB ASP A 22 1.577 5.363 10.548 1.00 0.00 C ATOM 340 CG ASP A 22 1.177 5.145 9.096 1.00 0.00 C ATOM 341 OD1 ASP A 22 1.292 4.020 8.634 1.00 0.00 O ATOM 342 OD2 ASP A 22 0.766 6.103 8.465 1.00 0.00 O ATOM 0 H ASP A 22 1.024 3.045 9.799 1.00 0.00 H new ATOM 0 HA ASP A 22 1.338 4.290 12.413 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.327 6.378 10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.656 5.253 10.659 1.00 0.00 H new ATOM 347 N GLY A 23 -1.513 4.274 10.871 1.00 0.00 N ATOM 348 CA GLY A 23 -2.922 4.627 11.007 1.00 0.00 C ATOM 349 C GLY A 23 -3.229 5.994 10.398 1.00 0.00 C ATOM 350 O GLY A 23 -4.264 6.589 10.693 1.00 0.00 O ATOM 0 H GLY A 23 -1.313 3.603 10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.535 3.868 10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.195 4.630 12.062 1.00 0.00 H new ATOM 354 N ASP A 24 -2.319 6.505 9.573 1.00 0.00 N ATOM 355 CA ASP A 24 -2.519 7.816 8.970 1.00 0.00 C ATOM 356 C ASP A 24 -3.690 7.784 7.998 1.00 0.00 C ATOM 357 O ASP A 24 -4.087 8.818 7.460 1.00 0.00 O ATOM 358 CB ASP A 24 -1.255 8.267 8.237 1.00 0.00 C ATOM 359 CG ASP A 24 -1.007 7.376 7.027 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.737 6.410 6.866 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.091 7.674 6.278 1.00 0.00 O ATOM 0 H ASP A 24 -1.450 6.039 9.311 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.739 8.525 9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.360 9.304 7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.399 8.225 8.911 1.00 0.00 H new ATOM 366 N GLY A 25 -4.241 6.596 7.778 1.00 0.00 N ATOM 367 CA GLY A 25 -5.373 6.445 6.871 1.00 0.00 C ATOM 368 C GLY A 25 -4.902 6.313 5.430 1.00 0.00 C ATOM 369 O GLY A 25 -5.665 5.890 4.560 1.00 0.00 O ATOM 0 H GLY A 25 -3.925 5.729 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.953 5.565 7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.035 7.306 6.964 1.00 0.00 H new ATOM 373 N CYS A 26 -3.650 6.695 5.175 1.00 0.00 N ATOM 374 CA CYS A 26 -3.090 6.628 3.818 1.00 0.00 C ATOM 375 C CYS A 26 -1.750 5.896 3.816 1.00 0.00 C ATOM 376 O CYS A 26 -0.853 6.236 4.584 1.00 0.00 O ATOM 377 CB CYS A 26 -2.897 8.047 3.267 1.00 0.00 C ATOM 378 SG CYS A 26 -2.839 7.990 1.460 1.00 0.00 S ATOM 0 H CYS A 26 -3.006 7.052 5.881 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.788 6.078 3.187 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.714 8.690 3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.975 8.478 3.658 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.032 6.769 1.058 1.00 0.00 H new ATOM 384 N ILE A 27 -1.610 4.904 2.937 1.00 0.00 N ATOM 385 CA ILE A 27 -0.358 4.149 2.838 1.00 0.00 C ATOM 386 C ILE A 27 0.528 4.772 1.765 1.00 0.00 C ATOM 387 O ILE A 27 0.207 4.706 0.579 1.00 0.00 O ATOM 388 CB ILE A 27 -0.642 2.692 2.443 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.518 2.002 3.494 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.678 1.929 2.326 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.069 0.700 2.909 1.00 0.00 C ATOM 0 H ILE A 27 -2.339 4.605 2.289 1.00 0.00 H new ATOM 0 HA ILE A 27 0.139 4.176 3.808 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.167 2.693 1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.935 1.794 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.337 2.658 3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.477 0.895 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.302 2.397 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.197 1.951 3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.694 0.203 3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.665 0.922 2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.242 0.046 2.634 1.00 0.00 H new ATOM 403 N THR A 28 1.646 5.365 2.172 1.00 0.00 N ATOM 404 CA THR A 28 2.553 5.973 1.204 1.00 0.00 C ATOM 405 C THR A 28 3.367 4.886 0.514 1.00 0.00 C ATOM 406 O THR A 28 3.434 3.757 0.995 1.00 0.00 O ATOM 407 CB THR A 28 3.496 6.963 1.897 1.00 0.00 C ATOM 408 OG1 THR A 28 2.729 7.969 2.547 1.00 0.00 O ATOM 409 CG2 THR A 28 4.416 7.614 0.857 1.00 0.00 C ATOM 0 H THR A 28 1.942 5.437 3.145 1.00 0.00 H new ATOM 0 HA THR A 28 1.963 6.514 0.464 1.00 0.00 H new ATOM 0 HB THR A 28 4.101 6.432 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.330 8.602 2.992 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.085 8.317 1.353 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.004 6.843 0.358 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.814 8.145 0.120 1.00 0.00 H new ATOM 417 N VAL A 29 3.977 5.217 -0.619 1.00 0.00 N ATOM 418 CA VAL A 29 4.765 4.225 -1.344 1.00 0.00 C ATOM 419 C VAL A 29 5.843 3.628 -0.434 1.00 0.00 C ATOM 420 O VAL A 29 6.144 2.438 -0.516 1.00 0.00 O ATOM 421 CB VAL A 29 5.415 4.858 -2.583 1.00 0.00 C ATOM 422 CG1 VAL A 29 4.405 5.780 -3.281 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.654 5.670 -2.174 1.00 0.00 C ATOM 0 H VAL A 29 3.944 6.142 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 29 4.097 3.426 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 29 5.719 4.065 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.868 6.228 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.534 5.201 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.095 6.567 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.107 6.114 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.360 6.459 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.376 5.013 -1.689 1.00 0.00 H new ATOM 433 N GLU A 30 6.413 4.461 0.428 1.00 0.00 N ATOM 434 CA GLU A 30 7.443 3.997 1.341 1.00 0.00 C ATOM 435 C GLU A 30 6.857 2.998 2.332 1.00 0.00 C ATOM 436 O GLU A 30 7.465 1.965 2.627 1.00 0.00 O ATOM 437 CB GLU A 30 8.046 5.180 2.090 1.00 0.00 C ATOM 438 CG GLU A 30 8.930 5.988 1.140 1.00 0.00 C ATOM 439 CD GLU A 30 10.164 5.181 0.745 1.00 0.00 C ATOM 440 OE1 GLU A 30 10.822 4.668 1.635 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.430 5.084 -0.443 1.00 0.00 O ATOM 0 H GLU A 30 6.181 5.451 0.512 1.00 0.00 H new ATOM 0 HA GLU A 30 8.226 3.503 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.254 5.811 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.633 4.826 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.364 6.259 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.234 6.918 1.619 1.00 0.00 H new ATOM 448 N GLU A 31 5.662 3.301 2.825 1.00 0.00 N ATOM 449 CA GLU A 31 4.993 2.419 3.766 1.00 0.00 C ATOM 450 C GLU A 31 4.619 1.106 3.088 1.00 0.00 C ATOM 451 O GLU A 31 4.717 0.037 3.687 1.00 0.00 O ATOM 452 CB GLU A 31 3.735 3.094 4.303 1.00 0.00 C ATOM 453 CG GLU A 31 4.119 4.259 5.217 1.00 0.00 C ATOM 454 CD GLU A 31 2.860 5.006 5.645 1.00 0.00 C ATOM 455 OE1 GLU A 31 2.072 5.338 4.776 1.00 0.00 O ATOM 456 OE2 GLU A 31 2.700 5.237 6.833 1.00 0.00 O ATOM 0 H GLU A 31 5.141 4.146 2.589 1.00 0.00 H new ATOM 0 HA GLU A 31 5.673 2.209 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.124 3.455 3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.131 2.372 4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.650 3.888 6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.797 4.935 4.696 1.00 0.00 H new ATOM 463 N LEU A 32 4.207 1.193 1.829 1.00 0.00 N ATOM 464 CA LEU A 32 3.848 -0.010 1.089 1.00 0.00 C ATOM 465 C LEU A 32 5.097 -0.875 0.939 1.00 0.00 C ATOM 466 O LEU A 32 5.051 -2.090 1.129 1.00 0.00 O ATOM 467 CB LEU A 32 3.272 0.352 -0.289 1.00 0.00 C ATOM 468 CG LEU A 32 2.762 -0.919 -1.008 1.00 0.00 C ATOM 469 CD1 LEU A 32 1.329 -1.245 -0.567 1.00 0.00 C ATOM 470 CD2 LEU A 32 2.786 -0.706 -2.523 1.00 0.00 C ATOM 0 H LEU A 32 4.114 2.065 1.308 1.00 0.00 H new ATOM 0 HA LEU A 32 3.080 -0.561 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.456 1.065 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.037 0.838 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 32 3.416 -1.750 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.985 -2.142 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.309 -1.415 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.673 -0.410 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.426 -1.605 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.144 0.135 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.806 -0.496 -2.845 1.00 0.00 H new ATOM 482 N ALA A 33 6.214 -0.234 0.601 1.00 0.00 N ATOM 483 CA ALA A 33 7.468 -0.955 0.430 1.00 0.00 C ATOM 484 C ALA A 33 7.790 -1.749 1.691 1.00 0.00 C ATOM 485 O ALA A 33 8.206 -2.904 1.617 1.00 0.00 O ATOM 486 CB ALA A 33 8.601 0.026 0.125 1.00 0.00 C ATOM 0 H ALA A 33 6.274 0.772 0.442 1.00 0.00 H new ATOM 0 HA ALA A 33 7.366 -1.646 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.534 -0.523 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.374 0.571 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.704 0.731 0.950 1.00 0.00 H new ATOM 492 N THR A 34 7.566 -1.137 2.848 1.00 0.00 N ATOM 493 CA THR A 34 7.811 -1.824 4.108 1.00 0.00 C ATOM 494 C THR A 34 6.872 -3.030 4.226 1.00 0.00 C ATOM 495 O THR A 34 7.292 -4.103 4.661 1.00 0.00 O ATOM 496 CB THR A 34 7.623 -0.854 5.293 1.00 0.00 C ATOM 497 OG1 THR A 34 8.756 0.001 5.373 1.00 0.00 O ATOM 498 CG2 THR A 34 7.479 -1.628 6.611 1.00 0.00 C ATOM 0 H THR A 34 7.221 -0.182 2.939 1.00 0.00 H new ATOM 0 HA THR A 34 8.840 -2.182 4.131 1.00 0.00 H new ATOM 0 HB THR A 34 6.717 -0.270 5.132 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.645 0.622 6.123 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.348 -0.925 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.612 -2.286 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.375 -2.224 6.783 1.00 0.00 H new ATOM 506 N VAL A 35 5.600 -2.861 3.836 1.00 0.00 N ATOM 507 CA VAL A 35 4.655 -3.976 3.918 1.00 0.00 C ATOM 508 C VAL A 35 5.065 -5.089 2.953 1.00 0.00 C ATOM 509 O VAL A 35 5.138 -6.258 3.335 1.00 0.00 O ATOM 510 CB VAL A 35 3.224 -3.504 3.617 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.302 -4.721 3.500 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.739 -2.621 4.762 1.00 0.00 C ATOM 0 H VAL A 35 5.214 -1.990 3.472 1.00 0.00 H new ATOM 0 HA VAL A 35 4.675 -4.369 4.935 1.00 0.00 H new ATOM 0 HB VAL A 35 3.212 -2.943 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.286 -4.389 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.650 -5.365 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.312 -5.277 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.724 -2.282 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.749 -3.191 5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.397 -1.757 4.859 1.00 0.00 H new ATOM 522 N ILE A 36 5.350 -4.717 1.709 1.00 0.00 N ATOM 523 CA ILE A 36 5.772 -5.695 0.714 1.00 0.00 C ATOM 524 C ILE A 36 7.090 -6.322 1.141 1.00 0.00 C ATOM 525 O ILE A 36 7.329 -7.508 0.917 1.00 0.00 O ATOM 526 CB ILE A 36 5.907 -5.043 -0.666 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.556 -4.439 -1.064 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.320 -6.098 -1.699 1.00 0.00 C ATOM 529 CD1 ILE A 36 4.738 -3.514 -2.268 1.00 0.00 C ATOM 0 H ILE A 36 5.297 -3.757 1.369 1.00 0.00 H new ATOM 0 HA ILE A 36 5.014 -6.475 0.642 1.00 0.00 H new ATOM 0 HB ILE A 36 6.667 -4.262 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.850 -5.233 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.135 -3.883 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.415 -5.630 -2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.276 -6.534 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.563 -6.881 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.775 -3.087 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.429 -2.712 -2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.140 -4.083 -3.107 1.00 0.00 H new ATOM 541 N ARG A 37 7.946 -5.519 1.772 1.00 0.00 N ATOM 542 CA ARG A 37 9.235 -6.010 2.238 1.00 0.00 C ATOM 543 C ARG A 37 9.053 -7.141 3.245 1.00 0.00 C ATOM 544 O ARG A 37 9.759 -8.148 3.197 1.00 0.00 O ATOM 545 CB ARG A 37 10.017 -4.865 2.890 1.00 0.00 C ATOM 546 CG ARG A 37 11.316 -5.404 3.492 1.00 0.00 C ATOM 547 CD ARG A 37 12.170 -4.241 3.980 1.00 0.00 C ATOM 548 NE ARG A 37 11.447 -3.475 4.987 1.00 0.00 N ATOM 549 CZ ARG A 37 11.468 -3.828 6.269 1.00 0.00 C ATOM 550 NH1 ARG A 37 12.138 -4.886 6.642 1.00 0.00 N ATOM 551 NH2 ARG A 37 10.817 -3.122 7.151 1.00 0.00 N ATOM 0 H ARG A 37 7.769 -4.534 1.969 1.00 0.00 H new ATOM 0 HA ARG A 37 9.788 -6.394 1.381 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.240 -4.096 2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.413 -4.395 3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.094 -6.078 4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.862 -5.983 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.104 -4.616 4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.433 -3.596 3.141 1.00 0.00 H new ATOM 0 HE ARG A 37 10.915 -2.652 4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.644 -5.439 5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.155 -5.158 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.291 -2.299 6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.833 -3.393 8.134 1.00 0.00 H new ATOM 565 N SER A 38 8.105 -6.967 4.152 1.00 0.00 N ATOM 566 CA SER A 38 7.838 -7.978 5.166 1.00 0.00 C ATOM 567 C SER A 38 7.231 -9.227 4.543 1.00 0.00 C ATOM 568 O SER A 38 7.477 -10.343 5.003 1.00 0.00 O ATOM 569 CB SER A 38 6.877 -7.428 6.216 1.00 0.00 C ATOM 570 OG SER A 38 6.969 -8.220 7.393 1.00 0.00 O ATOM 0 H SER A 38 7.510 -6.141 4.208 1.00 0.00 H new ATOM 0 HA SER A 38 8.787 -8.241 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.121 -6.390 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.856 -7.440 5.834 1.00 0.00 H new ATOM 0 HG SER A 38 6.355 -7.870 8.072 1.00 0.00 H new ATOM 576 N LEU A 39 6.406 -9.034 3.521 1.00 0.00 N ATOM 577 CA LEU A 39 5.742 -10.156 2.888 1.00 0.00 C ATOM 578 C LEU A 39 6.716 -11.152 2.296 1.00 0.00 C ATOM 579 O LEU A 39 6.501 -12.338 2.486 1.00 0.00 O ATOM 580 CB LEU A 39 4.790 -9.653 1.792 1.00 0.00 C ATOM 581 CG LEU A 39 3.431 -9.255 2.400 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.716 -8.261 1.474 1.00 0.00 C ATOM 583 CD2 LEU A 39 2.551 -10.510 2.572 1.00 0.00 C ATOM 0 H LEU A 39 6.186 -8.122 3.120 1.00 0.00 H new ATOM 0 HA LEU A 39 5.180 -10.673 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.232 -8.797 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.646 -10.431 1.042 1.00 0.00 H new ATOM 0 HG LEU A 39 3.600 -8.790 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.756 -7.984 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.331 -7.369 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.553 -8.723 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.591 -10.225 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.389 -10.977 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.050 -11.216 3.235 1.00 0.00 H new ATOM 595 N ASP A 40 7.762 -10.664 1.601 1.00 0.00 N ATOM 596 CA ASP A 40 8.787 -11.536 0.974 1.00 0.00 C ATOM 597 C ASP A 40 9.238 -10.987 -0.385 1.00 0.00 C ATOM 598 O ASP A 40 9.901 -11.691 -1.146 1.00 0.00 O ATOM 599 CB ASP A 40 8.267 -12.978 0.758 1.00 0.00 C ATOM 600 CG ASP A 40 8.386 -13.800 2.046 1.00 0.00 C ATOM 601 OD1 ASP A 40 8.960 -13.302 3.000 1.00 0.00 O ATOM 602 OD2 ASP A 40 7.887 -14.912 2.058 1.00 0.00 O ATOM 0 H ASP A 40 7.924 -9.667 1.457 1.00 0.00 H new ATOM 0 HA ASP A 40 9.628 -11.552 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.226 -12.949 0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.835 -13.458 -0.039 1.00 0.00 H new ATOM 607 N GLN A 41 8.885 -9.746 -0.695 1.00 0.00 N ATOM 608 CA GLN A 41 9.271 -9.147 -1.978 1.00 0.00 C ATOM 609 C GLN A 41 9.750 -7.719 -1.765 1.00 0.00 C ATOM 610 O GLN A 41 9.407 -7.088 -0.770 1.00 0.00 O ATOM 611 CB GLN A 41 8.073 -9.150 -2.934 1.00 0.00 C ATOM 612 CG GLN A 41 7.671 -10.594 -3.255 1.00 0.00 C ATOM 613 CD GLN A 41 8.781 -11.289 -4.038 1.00 0.00 C ATOM 614 OE1 GLN A 41 9.151 -10.841 -5.124 1.00 0.00 O ATOM 615 NE2 GLN A 41 9.341 -12.360 -3.547 1.00 0.00 N ATOM 0 H GLN A 41 8.338 -9.136 -0.087 1.00 0.00 H new ATOM 0 HA GLN A 41 10.081 -9.734 -2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.234 -8.621 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.327 -8.620 -3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.472 -11.138 -2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.748 -10.602 -3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.033 -12.730 -2.647 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.087 -12.828 -4.063 1.00 0.00 H new ATOM 624 N ASN A 42 10.551 -7.209 -2.696 1.00 0.00 N ATOM 625 CA ASN A 42 11.069 -5.848 -2.579 1.00 0.00 C ATOM 626 C ASN A 42 11.274 -5.226 -3.958 1.00 0.00 C ATOM 627 O ASN A 42 12.407 -5.035 -4.397 1.00 0.00 O ATOM 628 CB ASN A 42 12.401 -5.860 -1.823 1.00 0.00 C ATOM 629 CG ASN A 42 12.847 -4.431 -1.540 1.00 0.00 C ATOM 630 OD1 ASN A 42 12.014 -3.553 -1.315 1.00 0.00 O ATOM 631 ND2 ASN A 42 14.119 -4.141 -1.538 1.00 0.00 N ATOM 0 H ASN A 42 10.853 -7.710 -3.531 1.00 0.00 H new ATOM 0 HA ASN A 42 10.341 -5.251 -2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.294 -6.409 -0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.159 -6.377 -2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.424 -3.186 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.808 -4.869 -1.725 1.00 0.00 H new ATOM 638 N PRO A 43 10.203 -4.897 -4.636 1.00 0.00 N ATOM 639 CA PRO A 43 10.267 -4.270 -5.992 1.00 0.00 C ATOM 640 C PRO A 43 10.907 -2.884 -5.939 1.00 0.00 C ATOM 641 O PRO A 43 10.896 -2.233 -4.895 1.00 0.00 O ATOM 642 CB PRO A 43 8.790 -4.187 -6.439 1.00 0.00 C ATOM 643 CG PRO A 43 8.041 -5.099 -5.514 1.00 0.00 C ATOM 644 CD PRO A 43 8.814 -5.085 -4.198 1.00 0.00 C ATOM 0 HA PRO A 43 10.882 -4.845 -6.684 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.416 -3.165 -6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.676 -4.500 -7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.017 -4.754 -5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.983 -6.108 -5.922 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.484 -4.278 -3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.687 -6.016 -3.645 1.00 0.00 H new ATOM 652 N THR A 44 11.453 -2.428 -7.066 1.00 0.00 N ATOM 653 CA THR A 44 12.072 -1.112 -7.109 1.00 0.00 C ATOM 654 C THR A 44 11.006 -0.058 -7.374 1.00 0.00 C ATOM 655 O THR A 44 9.956 -0.363 -7.940 1.00 0.00 O ATOM 656 CB THR A 44 13.119 -1.076 -8.232 1.00 0.00 C ATOM 657 OG1 THR A 44 12.595 -1.729 -9.377 1.00 0.00 O ATOM 658 CG2 THR A 44 14.393 -1.791 -7.774 1.00 0.00 C ATOM 0 H THR A 44 11.478 -2.944 -7.946 1.00 0.00 H new ATOM 0 HA THR A 44 12.556 -0.906 -6.154 1.00 0.00 H new ATOM 0 HB THR A 44 13.358 -0.041 -8.475 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.258 -1.708 -10.098 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.133 -1.763 -8.574 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.793 -1.292 -6.892 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.161 -2.828 -7.530 1.00 0.00 H new ATOM 666 N GLU A 45 11.283 1.180 -6.966 1.00 0.00 N ATOM 667 CA GLU A 45 10.330 2.272 -7.176 1.00 0.00 C ATOM 668 C GLU A 45 9.693 2.136 -8.553 1.00 0.00 C ATOM 669 O GLU A 45 8.474 2.225 -8.696 1.00 0.00 O ATOM 670 CB GLU A 45 11.029 3.626 -7.053 1.00 0.00 C ATOM 671 CG GLU A 45 11.468 3.859 -5.599 1.00 0.00 C ATOM 672 CD GLU A 45 12.780 3.132 -5.323 1.00 0.00 C ATOM 673 OE1 GLU A 45 13.224 2.401 -6.194 1.00 0.00 O ATOM 674 OE2 GLU A 45 13.327 3.326 -4.250 1.00 0.00 O ATOM 0 H GLU A 45 12.146 1.451 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 45 9.555 2.215 -6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.896 3.659 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.356 4.422 -7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.589 4.926 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.696 3.503 -4.917 1.00 0.00 H new ATOM 681 N GLU A 46 10.526 1.911 -9.565 1.00 0.00 N ATOM 682 CA GLU A 46 10.022 1.752 -10.916 1.00 0.00 C ATOM 683 C GLU A 46 8.831 0.790 -10.922 1.00 0.00 C ATOM 684 O GLU A 46 7.782 1.093 -11.494 1.00 0.00 O ATOM 685 CB GLU A 46 11.164 1.222 -11.830 1.00 0.00 C ATOM 686 CG GLU A 46 10.643 0.183 -12.840 1.00 0.00 C ATOM 687 CD GLU A 46 9.494 0.797 -13.650 1.00 0.00 C ATOM 688 OE1 GLU A 46 9.458 2.015 -13.752 1.00 0.00 O ATOM 689 OE2 GLU A 46 8.661 0.050 -14.134 1.00 0.00 O ATOM 0 H GLU A 46 11.539 1.836 -9.473 1.00 0.00 H new ATOM 0 HA GLU A 46 9.682 2.715 -11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.619 2.055 -12.366 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.945 0.774 -11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.447 -0.129 -13.506 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.299 -0.709 -12.317 1.00 0.00 H new ATOM 696 N GLU A 47 9.015 -0.389 -10.328 1.00 0.00 N ATOM 697 CA GLU A 47 7.959 -1.381 -10.321 1.00 0.00 C ATOM 698 C GLU A 47 6.829 -0.922 -9.415 1.00 0.00 C ATOM 699 O GLU A 47 5.654 -1.070 -9.746 1.00 0.00 O ATOM 700 CB GLU A 47 8.516 -2.732 -9.868 1.00 0.00 C ATOM 701 CG GLU A 47 7.463 -3.824 -10.085 1.00 0.00 C ATOM 702 CD GLU A 47 8.091 -5.199 -9.877 1.00 0.00 C ATOM 703 OE1 GLU A 47 9.308 -5.281 -9.892 1.00 0.00 O ATOM 704 OE2 GLU A 47 7.346 -6.150 -9.709 1.00 0.00 O ATOM 0 H GLU A 47 9.873 -0.671 -9.855 1.00 0.00 H new ATOM 0 HA GLU A 47 7.562 -1.499 -11.329 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.421 -2.969 -10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.795 -2.687 -8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.634 -3.685 -9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.052 -3.751 -11.092 1.00 0.00 H new ATOM 711 N LEU A 48 7.192 -0.362 -8.270 1.00 0.00 N ATOM 712 CA LEU A 48 6.194 0.115 -7.328 1.00 0.00 C ATOM 713 C LEU A 48 5.350 1.207 -7.986 1.00 0.00 C ATOM 714 O LEU A 48 4.132 1.253 -7.819 1.00 0.00 O ATOM 715 CB LEU A 48 6.896 0.653 -6.056 1.00 0.00 C ATOM 716 CG LEU A 48 6.295 0.007 -4.797 1.00 0.00 C ATOM 717 CD1 LEU A 48 6.849 -1.414 -4.641 1.00 0.00 C ATOM 718 CD2 LEU A 48 6.669 0.837 -3.570 1.00 0.00 C ATOM 0 H LEU A 48 8.159 -0.228 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 48 5.536 -0.705 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.964 0.442 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.787 1.736 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 48 5.210 -0.033 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.424 -1.874 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.583 -2.006 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.934 -1.373 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.243 0.379 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.754 0.877 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.277 1.848 -3.681 1.00 0.00 H new ATOM 730 N GLN A 49 6.009 2.077 -8.739 1.00 0.00 N ATOM 731 CA GLN A 49 5.302 3.151 -9.421 1.00 0.00 C ATOM 732 C GLN A 49 4.298 2.561 -10.407 1.00 0.00 C ATOM 733 O GLN A 49 3.127 2.937 -10.406 1.00 0.00 O ATOM 734 CB GLN A 49 6.301 4.059 -10.148 1.00 0.00 C ATOM 735 CG GLN A 49 6.973 4.987 -9.134 1.00 0.00 C ATOM 736 CD GLN A 49 6.017 6.110 -8.742 1.00 0.00 C ATOM 737 OE1 GLN A 49 5.598 6.893 -9.594 1.00 0.00 O ATOM 738 NE2 GLN A 49 5.641 6.232 -7.499 1.00 0.00 N ATOM 0 H GLN A 49 7.017 2.061 -8.892 1.00 0.00 H new ATOM 0 HA GLN A 49 4.763 3.750 -8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.052 3.457 -10.660 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.789 4.645 -10.911 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.266 4.422 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.884 5.406 -9.560 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.990 5.582 -6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.998 6.978 -7.231 1.00 0.00 H new ATOM 747 N ASP A 50 4.757 1.638 -11.248 1.00 0.00 N ATOM 748 CA ASP A 50 3.873 1.015 -12.228 1.00 0.00 C ATOM 749 C ASP A 50 2.721 0.296 -11.528 1.00 0.00 C ATOM 750 O ASP A 50 1.587 0.314 -12.004 1.00 0.00 O ATOM 751 CB ASP A 50 4.657 0.022 -13.089 1.00 0.00 C ATOM 752 CG ASP A 50 3.815 -0.413 -14.284 1.00 0.00 C ATOM 753 OD1 ASP A 50 3.266 0.454 -14.944 1.00 0.00 O ATOM 754 OD2 ASP A 50 3.731 -1.607 -14.521 1.00 0.00 O ATOM 0 H ASP A 50 5.722 1.309 -11.271 1.00 0.00 H new ATOM 0 HA ASP A 50 3.462 1.796 -12.868 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.584 0.480 -13.435 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.934 -0.848 -12.494 1.00 0.00 H new ATOM 759 N MET A 51 3.014 -0.319 -10.383 1.00 0.00 N ATOM 760 CA MET A 51 1.976 -1.012 -9.628 1.00 0.00 C ATOM 761 C MET A 51 1.076 0.012 -8.945 1.00 0.00 C ATOM 762 O MET A 51 -0.150 -0.071 -9.028 1.00 0.00 O ATOM 763 CB MET A 51 2.604 -1.942 -8.583 1.00 0.00 C ATOM 764 CG MET A 51 1.563 -2.958 -8.096 1.00 0.00 C ATOM 765 SD MET A 51 1.164 -4.118 -9.433 1.00 0.00 S ATOM 766 CE MET A 51 2.791 -4.901 -9.579 1.00 0.00 C ATOM 0 H MET A 51 3.944 -0.351 -9.965 1.00 0.00 H new ATOM 0 HA MET A 51 1.382 -1.617 -10.313 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.459 -2.463 -9.014 1.00 0.00 H new ATOM 0 HB3 MET A 51 2.977 -1.358 -7.741 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.948 -3.502 -7.233 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.661 -2.440 -7.770 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.667 -5.975 -9.721 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.322 -4.481 -10.433 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.365 -4.719 -8.670 1.00 0.00 H new ATOM 776 N ILE A 52 1.688 0.997 -8.288 1.00 0.00 N ATOM 777 CA ILE A 52 0.914 2.039 -7.624 1.00 0.00 C ATOM 778 C ILE A 52 0.139 2.840 -8.663 1.00 0.00 C ATOM 779 O ILE A 52 -1.045 3.123 -8.484 1.00 0.00 O ATOM 780 CB ILE A 52 1.837 2.963 -6.823 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.383 2.203 -5.613 1.00 0.00 C ATOM 782 CG2 ILE A 52 1.060 4.190 -6.337 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.559 2.977 -5.004 1.00 0.00 C ATOM 0 H ILE A 52 2.700 1.093 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 52 0.211 1.573 -6.933 1.00 0.00 H new ATOM 0 HB ILE A 52 2.658 3.289 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.597 2.072 -4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.707 1.207 -5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.725 4.840 -5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.666 4.735 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.235 3.870 -5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.946 2.433 -4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.348 3.085 -5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.220 3.964 -4.688 1.00 0.00 H new ATOM 795 N SER A 53 0.811 3.189 -9.753 1.00 0.00 N ATOM 796 CA SER A 53 0.157 3.946 -10.811 1.00 0.00 C ATOM 797 C SER A 53 -1.053 3.167 -11.321 1.00 0.00 C ATOM 798 O SER A 53 -2.122 3.735 -11.536 1.00 0.00 O ATOM 799 CB SER A 53 1.135 4.202 -11.959 1.00 0.00 C ATOM 800 OG SER A 53 1.458 2.969 -12.584 1.00 0.00 O ATOM 0 H SER A 53 1.791 2.965 -9.926 1.00 0.00 H new ATOM 0 HA SER A 53 -0.172 4.906 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.692 4.885 -12.684 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.039 4.680 -11.582 1.00 0.00 H new ATOM 0 HG SER A 53 1.881 3.143 -13.451 1.00 0.00 H new ATOM 806 N GLU A 54 -0.872 1.865 -11.520 1.00 0.00 N ATOM 807 CA GLU A 54 -1.954 1.021 -12.013 1.00 0.00 C ATOM 808 C GLU A 54 -3.225 1.234 -11.190 1.00 0.00 C ATOM 809 O GLU A 54 -4.334 1.066 -11.698 1.00 0.00 O ATOM 810 CB GLU A 54 -1.541 -0.456 -11.949 1.00 0.00 C ATOM 811 CG GLU A 54 -2.549 -1.305 -12.728 1.00 0.00 C ATOM 812 CD GLU A 54 -2.374 -1.079 -14.226 1.00 0.00 C ATOM 813 OE1 GLU A 54 -1.443 -0.384 -14.595 1.00 0.00 O ATOM 814 OE2 GLU A 54 -3.171 -1.611 -14.983 1.00 0.00 O ATOM 0 H GLU A 54 0.006 1.375 -11.349 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.157 1.296 -13.048 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.543 -0.583 -12.367 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.496 -0.787 -10.911 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.408 -2.360 -12.492 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.564 -1.045 -12.429 1.00 0.00 H new ATOM 821 N VAL A 55 -3.067 1.604 -9.912 1.00 0.00 N ATOM 822 CA VAL A 55 -4.221 1.832 -9.031 1.00 0.00 C ATOM 823 C VAL A 55 -4.388 3.311 -8.694 1.00 0.00 C ATOM 824 O VAL A 55 -5.507 3.768 -8.467 1.00 0.00 O ATOM 825 CB VAL A 55 -4.061 1.035 -7.736 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.718 1.368 -7.090 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.196 1.383 -6.767 1.00 0.00 C ATOM 0 H VAL A 55 -2.161 1.751 -9.468 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.111 1.498 -9.565 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.099 -0.030 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.607 0.798 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.911 1.110 -7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.676 2.434 -6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.076 0.812 -5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.166 2.449 -6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.154 1.136 -7.225 1.00 0.00 H new ATOM 837 N ASP A 56 -3.292 4.056 -8.645 1.00 0.00 N ATOM 838 CA ASP A 56 -3.389 5.465 -8.319 1.00 0.00 C ATOM 839 C ASP A 56 -4.186 6.158 -9.416 1.00 0.00 C ATOM 840 O ASP A 56 -3.632 6.800 -10.307 1.00 0.00 O ATOM 841 CB ASP A 56 -1.984 6.084 -8.182 1.00 0.00 C ATOM 842 CG ASP A 56 -2.012 7.263 -7.212 1.00 0.00 C ATOM 843 OD1 ASP A 56 -3.092 7.757 -6.952 1.00 0.00 O ATOM 844 OD2 ASP A 56 -0.954 7.650 -6.748 1.00 0.00 O ATOM 0 H ASP A 56 -2.347 3.715 -8.823 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.897 5.594 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.281 5.330 -7.827 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.630 6.416 -9.158 1.00 0.00 H new ATOM 849 N ALA A 57 -5.499 6.000 -9.342 1.00 0.00 N ATOM 850 CA ALA A 57 -6.381 6.595 -10.337 1.00 0.00 C ATOM 851 C ALA A 57 -6.267 8.112 -10.318 1.00 0.00 C ATOM 852 O ALA A 57 -6.353 8.766 -11.356 1.00 0.00 O ATOM 853 CB ALA A 57 -7.834 6.197 -10.075 1.00 0.00 C ATOM 0 H ALA A 57 -5.975 5.470 -8.611 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.076 6.224 -11.316 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.477 6.651 -10.829 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.928 5.112 -10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.133 6.543 -9.086 1.00 0.00 H new ATOM 859 N ASP A 58 -6.086 8.668 -9.126 1.00 0.00 N ATOM 860 CA ASP A 58 -5.981 10.119 -8.971 1.00 0.00 C ATOM 861 C ASP A 58 -4.532 10.595 -9.076 1.00 0.00 C ATOM 862 O ASP A 58 -4.283 11.770 -9.348 1.00 0.00 O ATOM 863 CB ASP A 58 -6.565 10.527 -7.618 1.00 0.00 C ATOM 864 CG ASP A 58 -6.120 9.542 -6.547 1.00 0.00 C ATOM 865 OD1 ASP A 58 -5.009 9.051 -6.643 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.898 9.297 -5.644 1.00 0.00 O ATOM 0 H ASP A 58 -6.009 8.142 -8.255 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.543 10.589 -9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.237 11.533 -7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.653 10.551 -7.674 1.00 0.00 H new ATOM 871 N GLY A 59 -3.583 9.691 -8.862 1.00 0.00 N ATOM 872 CA GLY A 59 -2.172 10.061 -8.945 1.00 0.00 C ATOM 873 C GLY A 59 -1.801 11.064 -7.859 1.00 0.00 C ATOM 874 O GLY A 59 -1.549 12.232 -8.155 1.00 0.00 O ATOM 0 H GLY A 59 -3.758 8.712 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.553 9.169 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.962 10.488 -9.926 1.00 0.00 H new ATOM 878 N ASN A 60 -1.773 10.619 -6.597 1.00 0.00 N ATOM 879 CA ASN A 60 -1.433 11.516 -5.484 1.00 0.00 C ATOM 880 C ASN A 60 -0.068 11.177 -4.890 1.00 0.00 C ATOM 881 O ASN A 60 0.475 11.949 -4.099 1.00 0.00 O ATOM 882 CB ASN A 60 -2.489 11.406 -4.385 1.00 0.00 C ATOM 883 CG ASN A 60 -3.882 11.461 -4.994 1.00 0.00 C ATOM 884 OD1 ASN A 60 -4.739 10.651 -4.645 1.00 0.00 O ATOM 885 ND2 ASN A 60 -4.159 12.372 -5.889 1.00 0.00 N ATOM 0 H ASN A 60 -1.978 9.658 -6.322 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.401 12.532 -5.878 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.359 10.473 -3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.365 12.217 -3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.091 12.414 -6.302 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.444 13.041 -6.174 1.00 0.00 H new ATOM 892 N GLY A 61 0.484 10.020 -5.255 1.00 0.00 N ATOM 893 CA GLY A 61 1.786 9.600 -4.727 1.00 0.00 C ATOM 894 C GLY A 61 1.608 8.685 -3.517 1.00 0.00 C ATOM 895 O GLY A 61 2.581 8.218 -2.927 1.00 0.00 O ATOM 0 H GLY A 61 0.057 9.362 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.348 9.080 -5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.369 10.476 -4.444 1.00 0.00 H new ATOM 899 N THR A 62 0.350 8.432 -3.161 1.00 0.00 N ATOM 900 CA THR A 62 0.012 7.568 -2.030 1.00 0.00 C ATOM 901 C THR A 62 -1.170 6.671 -2.393 1.00 0.00 C ATOM 902 O THR A 62 -1.739 6.790 -3.481 1.00 0.00 O ATOM 903 CB THR A 62 -0.344 8.416 -0.804 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.502 9.187 -1.085 1.00 0.00 O ATOM 905 CG2 THR A 62 0.823 9.341 -0.460 1.00 0.00 C ATOM 0 H THR A 62 -0.461 8.818 -3.645 1.00 0.00 H new ATOM 0 HA THR A 62 0.876 6.947 -1.795 1.00 0.00 H new ATOM 0 HB THR A 62 -0.542 7.762 0.045 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.182 9.018 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.566 9.942 0.412 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.708 8.744 -0.241 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.028 9.998 -1.305 1.00 0.00 H new ATOM 913 N ILE A 63 -1.546 5.787 -1.468 1.00 0.00 N ATOM 914 CA ILE A 63 -2.677 4.878 -1.689 1.00 0.00 C ATOM 915 C ILE A 63 -3.729 5.090 -0.602 1.00 0.00 C ATOM 916 O ILE A 63 -3.413 5.068 0.587 1.00 0.00 O ATOM 917 CB ILE A 63 -2.200 3.421 -1.661 1.00 0.00 C ATOM 918 CG1 ILE A 63 -0.915 3.283 -2.483 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.276 2.513 -2.263 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.468 1.818 -2.491 1.00 0.00 C ATOM 0 H ILE A 63 -1.088 5.679 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.113 5.091 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.010 3.130 -0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.084 3.628 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.131 3.911 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.933 1.479 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.194 2.603 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.468 2.810 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.446 1.720 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.282 1.489 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.250 1.201 -2.934 1.00 0.00 H new ATOM 932 N GLU A 64 -4.979 5.295 -1.013 1.00 0.00 N ATOM 933 CA GLU A 64 -6.071 5.510 -0.057 1.00 0.00 C ATOM 934 C GLU A 64 -6.842 4.212 0.167 1.00 0.00 C ATOM 935 O GLU A 64 -6.602 3.215 -0.515 1.00 0.00 O ATOM 936 CB GLU A 64 -7.014 6.597 -0.582 1.00 0.00 C ATOM 937 CG GLU A 64 -6.292 7.948 -0.578 1.00 0.00 C ATOM 938 CD GLU A 64 -7.190 9.023 -1.181 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.290 8.688 -1.588 1.00 0.00 O ATOM 940 OE2 GLU A 64 -6.764 10.165 -1.230 1.00 0.00 O ATOM 0 H GLU A 64 -5.263 5.317 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.648 5.833 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.342 6.351 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.908 6.649 0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.019 8.221 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.365 7.876 -1.147 1.00 0.00 H new ATOM 947 N PHE A 65 -7.752 4.219 1.137 1.00 0.00 N ATOM 948 CA PHE A 65 -8.524 3.017 1.440 1.00 0.00 C ATOM 949 C PHE A 65 -9.252 2.517 0.197 1.00 0.00 C ATOM 950 O PHE A 65 -9.142 1.343 -0.156 1.00 0.00 O ATOM 951 CB PHE A 65 -9.537 3.307 2.556 1.00 0.00 C ATOM 952 CG PHE A 65 -10.482 2.132 2.717 1.00 0.00 C ATOM 953 CD1 PHE A 65 -9.999 0.904 3.186 1.00 0.00 C ATOM 954 CD2 PHE A 65 -11.840 2.271 2.393 1.00 0.00 C ATOM 955 CE1 PHE A 65 -10.873 -0.183 3.332 1.00 0.00 C ATOM 956 CE2 PHE A 65 -12.710 1.184 2.539 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.226 -0.042 3.009 1.00 0.00 C ATOM 0 H PHE A 65 -7.971 5.028 1.718 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.834 2.242 1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.014 3.495 3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.102 4.209 2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.954 0.794 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.214 3.217 2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.501 -1.130 3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.755 1.292 2.289 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.898 -0.880 3.122 1.00 0.00 H new ATOM 967 N ASP A 66 -9.993 3.397 -0.468 1.00 0.00 N ATOM 968 CA ASP A 66 -10.723 2.997 -1.663 1.00 0.00 C ATOM 969 C ASP A 66 -9.753 2.516 -2.733 1.00 0.00 C ATOM 970 O ASP A 66 -9.984 1.496 -3.384 1.00 0.00 O ATOM 971 CB ASP A 66 -11.537 4.177 -2.197 1.00 0.00 C ATOM 972 CG ASP A 66 -12.495 3.703 -3.284 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.352 2.891 -2.979 1.00 0.00 O ATOM 974 OD2 ASP A 66 -12.360 4.163 -4.406 1.00 0.00 O ATOM 0 H ASP A 66 -10.103 4.376 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.400 2.182 -1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.097 4.640 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.868 4.939 -2.598 1.00 0.00 H new ATOM 979 N GLU A 67 -8.658 3.248 -2.903 1.00 0.00 N ATOM 980 CA GLU A 67 -7.659 2.875 -3.892 1.00 0.00 C ATOM 981 C GLU A 67 -7.127 1.477 -3.586 1.00 0.00 C ATOM 982 O GLU A 67 -7.031 0.622 -4.473 1.00 0.00 O ATOM 983 CB GLU A 67 -6.511 3.887 -3.868 1.00 0.00 C ATOM 984 CG GLU A 67 -7.019 5.246 -4.355 1.00 0.00 C ATOM 985 CD GLU A 67 -5.901 6.279 -4.282 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.765 5.882 -4.101 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.200 7.454 -4.395 1.00 0.00 O ATOM 0 H GLU A 67 -8.442 4.093 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.114 2.873 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.112 3.977 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.695 3.543 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.381 5.162 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.863 5.568 -3.744 1.00 0.00 H new ATOM 994 N PHE A 68 -6.806 1.241 -2.317 1.00 0.00 N ATOM 995 CA PHE A 68 -6.304 -0.062 -1.905 1.00 0.00 C ATOM 996 C PHE A 68 -7.406 -1.109 -2.014 1.00 0.00 C ATOM 997 O PHE A 68 -7.132 -2.295 -2.195 1.00 0.00 O ATOM 998 CB PHE A 68 -5.791 0.001 -0.462 1.00 0.00 C ATOM 999 CG PHE A 68 -5.316 -1.371 -0.035 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.087 -1.863 -0.495 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.104 -2.151 0.818 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.650 -3.133 -0.099 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.667 -3.419 1.214 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.439 -3.911 0.758 1.00 0.00 C ATOM 0 H PHE A 68 -6.884 1.927 -1.566 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.481 -0.341 -2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.975 0.720 -0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.583 0.346 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.477 -1.263 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.052 -1.773 1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.704 -3.513 -0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.278 -4.019 1.872 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.100 -4.889 1.066 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.659 -0.669 -1.904 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.784 -1.590 -1.994 1.00 0.00 C ATOM 1016 C LEU A 69 -9.866 -2.185 -3.403 1.00 0.00 C ATOM 1017 O LEU A 69 -10.072 -3.386 -3.576 1.00 0.00 O ATOM 1018 CB LEU A 69 -11.092 -0.838 -1.654 1.00 0.00 C ATOM 1019 CG LEU A 69 -12.127 -1.792 -1.028 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.298 -3.034 -1.912 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -11.671 -2.207 0.388 1.00 0.00 C ATOM 0 H LEU A 69 -8.916 0.307 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.642 -2.404 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.878 -0.022 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.504 -0.390 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.085 -1.278 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.031 -3.703 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.642 -2.732 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.343 -3.551 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.408 -2.881 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.707 -2.713 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.576 -1.320 1.014 1.00 0.00 H new ATOM 1033 N SER A 70 -9.681 -1.336 -4.405 1.00 0.00 N ATOM 1034 CA SER A 70 -9.718 -1.793 -5.787 1.00 0.00 C ATOM 1035 C SER A 70 -8.543 -2.719 -6.062 1.00 0.00 C ATOM 1036 O SER A 70 -8.689 -3.740 -6.728 1.00 0.00 O ATOM 1037 CB SER A 70 -9.686 -0.607 -6.750 1.00 0.00 C ATOM 1038 OG SER A 70 -9.433 -1.081 -8.067 1.00 0.00 O ATOM 0 H SER A 70 -9.506 -0.338 -4.289 1.00 0.00 H new ATOM 0 HA SER A 70 -10.648 -2.340 -5.944 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.635 -0.072 -6.719 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.912 0.100 -6.450 1.00 0.00 H new ATOM 0 HG SER A 70 -9.413 -0.324 -8.689 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.371 -2.353 -5.548 1.00 0.00 N ATOM 1045 CA LEU A 71 -6.174 -3.160 -5.761 1.00 0.00 C ATOM 1046 C LEU A 71 -6.370 -4.574 -5.237 1.00 0.00 C ATOM 1047 O LEU A 71 -5.974 -5.548 -5.885 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.976 -2.515 -5.052 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.711 -3.381 -5.216 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -3.446 -3.668 -6.703 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.511 -2.627 -4.627 1.00 0.00 C ATOM 0 H LEU A 71 -7.226 -1.513 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.985 -3.209 -6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.797 -1.521 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.200 -2.388 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.857 -4.327 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.550 -4.280 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.297 -4.200 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.303 -2.728 -7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.611 -3.232 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.381 -1.682 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.688 -2.431 -3.569 1.00 0.00 H new ATOM 1063 N MET A 72 -6.998 -4.691 -4.076 1.00 0.00 N ATOM 1064 CA MET A 72 -7.249 -6.007 -3.502 1.00 0.00 C ATOM 1065 C MET A 72 -8.223 -6.793 -4.375 1.00 0.00 C ATOM 1066 O MET A 72 -7.948 -7.928 -4.762 1.00 0.00 O ATOM 1067 CB MET A 72 -7.816 -5.857 -2.083 1.00 0.00 C ATOM 1068 CG MET A 72 -6.740 -5.284 -1.123 1.00 0.00 C ATOM 1069 SD MET A 72 -6.729 -6.226 0.423 1.00 0.00 S ATOM 1070 CE MET A 72 -5.690 -7.590 -0.156 1.00 0.00 C ATOM 0 H MET A 72 -7.338 -3.906 -3.520 1.00 0.00 H new ATOM 0 HA MET A 72 -6.307 -6.554 -3.455 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.684 -5.198 -2.100 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.158 -6.825 -1.718 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.758 -5.330 -1.594 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.946 -4.234 -0.917 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.548 -8.307 0.652 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.174 -8.084 -0.998 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.722 -7.201 -0.471 1.00 0.00 H new ATOM 1080 N ALA A 73 -9.355 -6.179 -4.695 1.00 0.00 N ATOM 1081 CA ALA A 73 -10.351 -6.830 -5.537 1.00 0.00 C ATOM 1082 C ALA A 73 -9.826 -7.002 -6.965 1.00 0.00 C ATOM 1083 O ALA A 73 -10.136 -7.986 -7.634 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.641 -6.012 -5.560 1.00 0.00 C ATOM 0 H ALA A 73 -9.605 -5.239 -4.388 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.557 -7.815 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.376 -6.510 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.034 -5.924 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.435 -5.018 -5.957 1.00 0.00 H new