USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=9 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 60 ASN : amide:sc= -3.17! C(o=-4.9!,f=-19!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 9:sc= 0.781 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 77:sc= 0.0374 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 42 ASN : amide:sc= -1.27 X(o=-1.3,f=-1!) USER MOD Single : A 44 THR OG1 : rot 29:sc= 0.275! USER MOD Single : A 49 GLN :FLIP amide:sc= -0.51 F(o=-1.2,f=-0.51) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -77:sc= -0.908 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 -15.391 -6.591 3.309 1.00 0.00 N ATOM 122 CA ILE A 9 -14.807 -5.306 3.659 1.00 0.00 C ATOM 123 C ILE A 9 -13.849 -5.463 4.827 1.00 0.00 C ATOM 124 O ILE A 9 -12.757 -4.901 4.816 1.00 0.00 O ATOM 125 CB ILE A 9 -15.917 -4.286 4.001 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.397 -3.586 2.721 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.394 -3.233 4.990 1.00 0.00 C ATOM 128 CD1 ILE A 9 -16.909 -4.616 1.716 1.00 0.00 C ATOM 0 HA ILE A 9 -14.248 -4.932 2.802 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.748 -4.822 4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.189 -2.877 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.579 -3.014 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.189 -2.523 5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.070 -3.725 5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.551 -2.703 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.246 -4.107 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.106 -5.309 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.741 -5.169 2.153 1.00 0.00 H new ATOM 140 N VAL A 10 -14.256 -6.218 5.834 1.00 0.00 N ATOM 141 CA VAL A 10 -13.404 -6.404 6.994 1.00 0.00 C ATOM 142 C VAL A 10 -12.064 -6.981 6.558 1.00 0.00 C ATOM 143 O VAL A 10 -11.016 -6.505 6.987 1.00 0.00 O ATOM 144 CB VAL A 10 -14.085 -7.340 8.009 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.052 -7.867 9.015 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.176 -6.567 8.767 1.00 0.00 C ATOM 0 H VAL A 10 -15.153 -6.703 5.872 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.236 -5.439 7.473 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.528 -8.180 7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.544 -8.528 9.729 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.276 -8.419 8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.602 -7.029 9.547 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.658 -7.229 9.486 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.726 -5.726 9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.918 -6.197 8.059 1.00 0.00 H new ATOM 156 N ASP A 11 -12.093 -7.995 5.701 1.00 0.00 N ATOM 157 CA ASP A 11 -10.847 -8.590 5.234 1.00 0.00 C ATOM 158 C ASP A 11 -9.991 -7.526 4.550 1.00 0.00 C ATOM 159 O ASP A 11 -8.837 -7.311 4.921 1.00 0.00 O ATOM 160 CB ASP A 11 -11.149 -9.728 4.258 1.00 0.00 C ATOM 161 CG ASP A 11 -9.850 -10.277 3.679 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.801 -9.905 4.175 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.924 -11.059 2.746 1.00 0.00 O ATOM 0 H ASP A 11 -12.943 -8.414 5.323 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.299 -8.992 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.693 -10.522 4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.791 -9.368 3.454 1.00 0.00 H new ATOM 168 N PHE A 12 -10.571 -6.858 3.558 1.00 0.00 N ATOM 169 CA PHE A 12 -9.845 -5.812 2.844 1.00 0.00 C ATOM 170 C PHE A 12 -9.447 -4.701 3.812 1.00 0.00 C ATOM 171 O PHE A 12 -8.290 -4.282 3.841 1.00 0.00 O ATOM 172 CB PHE A 12 -10.706 -5.227 1.720 1.00 0.00 C ATOM 173 CG PHE A 12 -10.847 -6.239 0.601 1.00 0.00 C ATOM 174 CD1 PHE A 12 -9.715 -6.664 -0.111 1.00 0.00 C ATOM 175 CD2 PHE A 12 -12.109 -6.750 0.270 1.00 0.00 C ATOM 176 CE1 PHE A 12 -9.850 -7.597 -1.145 1.00 0.00 C ATOM 177 CE2 PHE A 12 -12.237 -7.684 -0.767 1.00 0.00 C ATOM 178 CZ PHE A 12 -11.104 -8.105 -1.473 1.00 0.00 C ATOM 0 H PHE A 12 -11.525 -7.017 3.234 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.949 -6.253 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.689 -4.958 2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.251 -4.312 1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.740 -6.271 0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.983 -6.424 0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.978 -7.924 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.210 -8.079 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.203 -8.824 -2.273 1.00 0.00 H new ATOM 188 N LYS A 13 -10.407 -4.232 4.607 1.00 0.00 N ATOM 189 CA LYS A 13 -10.138 -3.178 5.567 1.00 0.00 C ATOM 190 C LYS A 13 -9.085 -3.627 6.568 1.00 0.00 C ATOM 191 O LYS A 13 -8.270 -2.822 7.017 1.00 0.00 O ATOM 192 CB LYS A 13 -11.434 -2.795 6.294 1.00 0.00 C ATOM 193 CG LYS A 13 -11.292 -1.411 6.940 1.00 0.00 C ATOM 194 CD LYS A 13 -12.651 -0.947 7.478 1.00 0.00 C ATOM 195 CE LYS A 13 -12.977 -1.673 8.786 1.00 0.00 C ATOM 196 NZ LYS A 13 -14.192 -1.068 9.401 1.00 0.00 N ATOM 0 H LYS A 13 -11.371 -4.567 4.601 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.757 -2.306 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.267 -2.792 5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.664 -3.538 7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.564 -1.451 7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.916 -0.695 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.636 0.130 7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.429 -1.144 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.143 -2.733 8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.134 -1.602 9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.414 -1.561 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.017 -0.062 9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.994 -1.158 8.746 1.00 0.00 H new ATOM 210 N GLU A 14 -9.085 -4.913 6.915 1.00 0.00 N ATOM 211 CA GLU A 14 -8.102 -5.424 7.857 1.00 0.00 C ATOM 212 C GLU A 14 -6.717 -5.408 7.241 1.00 0.00 C ATOM 213 O GLU A 14 -5.744 -5.021 7.880 1.00 0.00 O ATOM 214 CB GLU A 14 -8.459 -6.847 8.263 1.00 0.00 C ATOM 215 CG GLU A 14 -7.475 -7.355 9.321 1.00 0.00 C ATOM 216 CD GLU A 14 -7.886 -8.751 9.785 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.747 -9.335 9.149 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.334 -9.213 10.771 1.00 0.00 O ATOM 0 H GLU A 14 -9.744 -5.607 6.563 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.106 -4.783 8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.475 -6.877 8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.435 -7.499 7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.466 -7.381 8.909 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.455 -6.671 10.170 1.00 0.00 H new ATOM 225 N ALA A 15 -6.641 -5.816 5.984 1.00 0.00 N ATOM 226 CA ALA A 15 -5.360 -5.822 5.285 1.00 0.00 C ATOM 227 C ALA A 15 -4.869 -4.392 5.088 1.00 0.00 C ATOM 228 O ALA A 15 -3.675 -4.114 5.233 1.00 0.00 O ATOM 229 CB ALA A 15 -5.475 -6.529 3.930 1.00 0.00 C ATOM 0 H ALA A 15 -7.434 -6.142 5.432 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.641 -6.370 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.506 -6.519 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.793 -7.560 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.208 -6.012 3.311 1.00 0.00 H new ATOM 235 N PHE A 16 -5.783 -3.478 4.760 1.00 0.00 N ATOM 236 CA PHE A 16 -5.413 -2.085 4.558 1.00 0.00 C ATOM 237 C PHE A 16 -4.931 -1.455 5.857 1.00 0.00 C ATOM 238 O PHE A 16 -3.880 -0.822 5.896 1.00 0.00 O ATOM 239 CB PHE A 16 -6.624 -1.306 4.039 1.00 0.00 C ATOM 240 CG PHE A 16 -6.219 0.117 3.745 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.469 0.406 2.602 1.00 0.00 C ATOM 242 CD2 PHE A 16 -6.595 1.148 4.614 1.00 0.00 C ATOM 243 CE1 PHE A 16 -5.094 1.720 2.326 1.00 0.00 C ATOM 244 CE2 PHE A 16 -6.217 2.466 4.337 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.468 2.750 3.192 1.00 0.00 C ATOM 0 H PHE A 16 -6.775 -3.679 4.631 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.602 -2.047 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.014 -1.778 3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.424 -1.322 4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.179 -0.390 1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.176 0.926 5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.514 1.942 1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -6.504 3.263 5.007 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.178 3.768 2.976 1.00 0.00 H new ATOM 255 N GLY A 17 -5.710 -1.626 6.919 1.00 0.00 N ATOM 256 CA GLY A 17 -5.341 -1.053 8.205 1.00 0.00 C ATOM 257 C GLY A 17 -3.994 -1.581 8.658 1.00 0.00 C ATOM 258 O GLY A 17 -3.159 -0.826 9.156 1.00 0.00 O ATOM 0 H GLY A 17 -6.586 -2.148 6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.304 0.034 8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.101 -1.294 8.948 1.00 0.00 H new ATOM 262 N LEU A 18 -3.776 -2.879 8.486 1.00 0.00 N ATOM 263 CA LEU A 18 -2.518 -3.485 8.893 1.00 0.00 C ATOM 264 C LEU A 18 -1.364 -2.840 8.128 1.00 0.00 C ATOM 265 O LEU A 18 -0.303 -2.569 8.689 1.00 0.00 O ATOM 266 CB LEU A 18 -2.576 -5.004 8.609 1.00 0.00 C ATOM 267 CG LEU A 18 -1.655 -5.775 9.571 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.774 -7.281 9.303 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.201 -5.326 9.372 1.00 0.00 C ATOM 0 H LEU A 18 -4.447 -3.525 8.072 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.356 -3.327 9.959 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.601 -5.360 8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.277 -5.198 7.579 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.955 -5.567 10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.121 -7.825 9.985 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.805 -7.598 9.458 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.480 -7.492 8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.446 -5.875 10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.104 -5.525 8.345 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.119 -4.258 9.574 1.00 0.00 H new ATOM 281 N PHE A 19 -1.576 -2.599 6.839 1.00 0.00 N ATOM 282 CA PHE A 19 -0.540 -1.995 6.004 1.00 0.00 C ATOM 283 C PHE A 19 -0.231 -0.598 6.481 1.00 0.00 C ATOM 284 O PHE A 19 0.925 -0.172 6.507 1.00 0.00 O ATOM 285 CB PHE A 19 -0.993 -1.971 4.539 1.00 0.00 C ATOM 286 CG PHE A 19 -0.991 -3.379 3.949 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.967 -4.534 4.773 1.00 0.00 C ATOM 288 CD2 PHE A 19 -1.000 -3.534 2.554 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.952 -5.801 4.204 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.980 -4.824 1.993 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.956 -5.951 2.821 1.00 0.00 C ATOM 0 H PHE A 19 -2.447 -2.810 6.351 1.00 0.00 H new ATOM 0 HA PHE A 19 0.367 -2.595 6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.994 -1.544 4.470 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.331 -1.328 3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.960 -4.427 5.848 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.022 -2.665 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.937 -6.675 4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.983 -4.944 0.920 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.941 -6.939 2.386 1.00 0.00 H new ATOM 301 N ASP A 20 -1.271 0.108 6.866 1.00 0.00 N ATOM 302 CA ASP A 20 -1.115 1.459 7.357 1.00 0.00 C ATOM 303 C ASP A 20 -0.666 1.440 8.817 1.00 0.00 C ATOM 304 O ASP A 20 -1.317 2.014 9.687 1.00 0.00 O ATOM 305 CB ASP A 20 -2.449 2.175 7.210 1.00 0.00 C ATOM 306 CG ASP A 20 -2.384 3.555 7.849 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.289 3.982 8.180 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.428 4.168 7.996 1.00 0.00 O ATOM 0 H ASP A 20 -2.233 -0.231 6.849 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.352 1.985 6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.705 2.268 6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.238 1.587 7.679 1.00 0.00 H new ATOM 313 N LYS A 21 0.436 0.738 9.075 1.00 0.00 N ATOM 314 CA LYS A 21 0.962 0.607 10.435 1.00 0.00 C ATOM 315 C LYS A 21 0.831 1.915 11.216 1.00 0.00 C ATOM 316 O LYS A 21 0.825 1.903 12.448 1.00 0.00 O ATOM 317 CB LYS A 21 2.447 0.181 10.386 1.00 0.00 C ATOM 318 CG LYS A 21 2.649 -1.125 11.174 1.00 0.00 C ATOM 319 CD LYS A 21 4.085 -1.612 11.002 1.00 0.00 C ATOM 320 CE LYS A 21 4.262 -2.284 9.634 1.00 0.00 C ATOM 321 NZ LYS A 21 5.539 -3.042 9.613 1.00 0.00 N ATOM 0 H LYS A 21 0.982 0.252 8.363 1.00 0.00 H new ATOM 0 HA LYS A 21 0.375 -0.155 10.947 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.760 0.042 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.073 0.968 10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.434 -0.961 12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.952 -1.885 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.774 -0.772 11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.334 -2.317 11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.426 -2.955 9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.261 -1.532 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.658 -3.497 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.332 -2.391 9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.523 -3.770 10.356 1.00 0.00 H new ATOM 335 N ASP A 22 0.749 3.044 10.512 1.00 0.00 N ATOM 336 CA ASP A 22 0.649 4.338 11.183 1.00 0.00 C ATOM 337 C ASP A 22 -0.805 4.680 11.510 1.00 0.00 C ATOM 338 O ASP A 22 -1.079 5.408 12.462 1.00 0.00 O ATOM 339 CB ASP A 22 1.232 5.421 10.276 1.00 0.00 C ATOM 340 CG ASP A 22 2.567 4.953 9.709 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.502 4.808 10.480 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.629 4.738 8.509 1.00 0.00 O ATOM 0 H ASP A 22 0.750 3.089 9.493 1.00 0.00 H new ATOM 0 HA ASP A 22 1.207 4.286 12.118 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.538 5.641 9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.369 6.345 10.838 1.00 0.00 H new ATOM 347 N GLY A 23 -1.731 4.145 10.720 1.00 0.00 N ATOM 348 CA GLY A 23 -3.152 4.399 10.946 1.00 0.00 C ATOM 349 C GLY A 23 -3.566 5.779 10.441 1.00 0.00 C ATOM 350 O GLY A 23 -4.650 6.265 10.768 1.00 0.00 O ATOM 0 H GLY A 23 -1.527 3.539 9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.743 3.635 10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.371 4.320 12.011 1.00 0.00 H new ATOM 354 N ASP A 24 -2.697 6.423 9.666 1.00 0.00 N ATOM 355 CA ASP A 24 -3.001 7.755 9.159 1.00 0.00 C ATOM 356 C ASP A 24 -4.167 7.707 8.183 1.00 0.00 C ATOM 357 O ASP A 24 -4.773 8.734 7.881 1.00 0.00 O ATOM 358 CB ASP A 24 -1.781 8.359 8.464 1.00 0.00 C ATOM 359 CG ASP A 24 -1.327 7.451 7.328 1.00 0.00 C ATOM 360 OD1 ASP A 24 -2.061 6.532 7.002 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.256 7.692 6.798 1.00 0.00 O ATOM 0 H ASP A 24 -1.792 6.051 9.380 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.274 8.380 10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.026 9.347 8.075 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.971 8.490 9.182 1.00 0.00 H new ATOM 366 N GLY A 25 -4.481 6.510 7.692 1.00 0.00 N ATOM 367 CA GLY A 25 -5.582 6.341 6.746 1.00 0.00 C ATOM 368 C GLY A 25 -5.056 6.118 5.332 1.00 0.00 C ATOM 369 O GLY A 25 -5.809 5.743 4.434 1.00 0.00 O ATOM 0 H GLY A 25 -3.992 5.647 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.198 5.494 7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.222 7.223 6.765 1.00 0.00 H new ATOM 373 N CYS A 26 -3.760 6.366 5.134 1.00 0.00 N ATOM 374 CA CYS A 26 -3.145 6.202 3.812 1.00 0.00 C ATOM 375 C CYS A 26 -1.745 5.601 3.926 1.00 0.00 C ATOM 376 O CYS A 26 -1.008 5.895 4.870 1.00 0.00 O ATOM 377 CB CYS A 26 -3.053 7.564 3.116 1.00 0.00 C ATOM 378 SG CYS A 26 -1.732 8.543 3.874 1.00 0.00 S ATOM 0 H CYS A 26 -3.119 6.678 5.864 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.768 5.523 3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.855 7.428 2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.004 8.091 3.198 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.059 7.798 4.700 1.00 0.00 H new ATOM 384 N ILE A 27 -1.374 4.771 2.945 1.00 0.00 N ATOM 385 CA ILE A 27 -0.040 4.156 2.929 1.00 0.00 C ATOM 386 C ILE A 27 0.817 4.845 1.872 1.00 0.00 C ATOM 387 O ILE A 27 0.474 4.829 0.692 1.00 0.00 O ATOM 388 CB ILE A 27 -0.132 2.660 2.588 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.003 1.925 3.633 1.00 0.00 C ATOM 390 CG2 ILE A 27 1.272 2.046 2.579 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.424 1.804 3.123 1.00 0.00 C ATOM 0 H ILE A 27 -1.970 4.511 2.159 1.00 0.00 H new ATOM 0 HA ILE A 27 0.404 4.269 3.918 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.588 2.553 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.592 0.935 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.991 2.469 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.204 0.985 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.885 2.550 1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.728 2.165 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.033 1.285 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.834 2.799 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.429 1.241 2.190 1.00 0.00 H new ATOM 403 N THR A 28 1.932 5.437 2.286 1.00 0.00 N ATOM 404 CA THR A 28 2.812 6.102 1.329 1.00 0.00 C ATOM 405 C THR A 28 3.708 5.071 0.652 1.00 0.00 C ATOM 406 O THR A 28 3.757 3.914 1.071 1.00 0.00 O ATOM 407 CB THR A 28 3.676 7.153 2.034 1.00 0.00 C ATOM 408 OG1 THR A 28 4.534 6.515 2.968 1.00 0.00 O ATOM 409 CG2 THR A 28 2.774 8.149 2.760 1.00 0.00 C ATOM 0 H THR A 28 2.244 5.471 3.256 1.00 0.00 H new ATOM 0 HA THR A 28 2.198 6.600 0.579 1.00 0.00 H new ATOM 0 HB THR A 28 4.279 7.683 1.296 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.087 7.188 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.388 8.897 3.262 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.120 8.640 2.039 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.169 7.622 3.498 1.00 0.00 H new ATOM 417 N VAL A 29 4.407 5.481 -0.400 1.00 0.00 N ATOM 418 CA VAL A 29 5.274 4.549 -1.114 1.00 0.00 C ATOM 419 C VAL A 29 6.286 3.928 -0.151 1.00 0.00 C ATOM 420 O VAL A 29 6.518 2.720 -0.186 1.00 0.00 O ATOM 421 CB VAL A 29 6.019 5.264 -2.247 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.649 4.223 -3.179 1.00 0.00 C ATOM 423 CG2 VAL A 29 5.041 6.137 -3.039 1.00 0.00 C ATOM 0 H VAL A 29 4.393 6.431 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 29 4.651 3.763 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 29 6.801 5.895 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.179 4.730 -3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.349 3.607 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.867 3.591 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.575 6.643 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.255 5.511 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.596 6.879 -2.376 1.00 0.00 H new ATOM 433 N GLU A 30 6.872 4.748 0.717 1.00 0.00 N ATOM 434 CA GLU A 30 7.835 4.244 1.682 1.00 0.00 C ATOM 435 C GLU A 30 7.169 3.241 2.622 1.00 0.00 C ATOM 436 O GLU A 30 7.722 2.177 2.916 1.00 0.00 O ATOM 437 CB GLU A 30 8.410 5.402 2.485 1.00 0.00 C ATOM 438 CG GLU A 30 9.299 6.255 1.581 1.00 0.00 C ATOM 439 CD GLU A 30 10.538 5.470 1.157 1.00 0.00 C ATOM 440 OE1 GLU A 30 10.865 4.512 1.837 1.00 0.00 O ATOM 441 OE2 GLU A 30 11.145 5.846 0.169 1.00 0.00 O ATOM 0 H GLU A 30 6.698 5.752 0.770 1.00 0.00 H new ATOM 0 HA GLU A 30 8.640 3.740 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.604 6.009 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.987 5.023 3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.739 6.567 0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.598 7.162 2.106 1.00 0.00 H new ATOM 448 N GLU A 31 5.964 3.576 3.076 1.00 0.00 N ATOM 449 CA GLU A 31 5.224 2.695 3.965 1.00 0.00 C ATOM 450 C GLU A 31 4.823 1.422 3.225 1.00 0.00 C ATOM 451 O GLU A 31 4.895 0.317 3.769 1.00 0.00 O ATOM 452 CB GLU A 31 3.977 3.412 4.473 1.00 0.00 C ATOM 453 CG GLU A 31 4.379 4.588 5.364 1.00 0.00 C ATOM 454 CD GLU A 31 3.151 5.442 5.662 1.00 0.00 C ATOM 455 OE1 GLU A 31 2.229 5.411 4.866 1.00 0.00 O ATOM 456 OE2 GLU A 31 3.141 6.108 6.685 1.00 0.00 O ATOM 0 H GLU A 31 5.485 4.446 2.843 1.00 0.00 H new ATOM 0 HA GLU A 31 5.857 2.427 4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.384 3.769 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.351 2.718 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.815 4.222 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.142 5.189 4.869 1.00 0.00 H new ATOM 463 N LEU A 32 4.420 1.575 1.969 1.00 0.00 N ATOM 464 CA LEU A 32 4.044 0.412 1.180 1.00 0.00 C ATOM 465 C LEU A 32 5.273 -0.476 1.032 1.00 0.00 C ATOM 466 O LEU A 32 5.204 -1.685 1.215 1.00 0.00 O ATOM 467 CB LEU A 32 3.524 0.845 -0.205 1.00 0.00 C ATOM 468 CG LEU A 32 3.058 -0.379 -1.021 1.00 0.00 C ATOM 469 CD1 LEU A 32 1.721 -0.912 -0.474 1.00 0.00 C ATOM 470 CD2 LEU A 32 2.898 0.007 -2.498 1.00 0.00 C ATOM 0 H LEU A 32 4.347 2.470 1.486 1.00 0.00 H new ATOM 0 HA LEU A 32 3.244 -0.135 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.697 1.545 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.311 1.371 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 32 3.810 -1.163 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.406 -1.775 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.846 -1.207 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.963 -0.131 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.569 -0.862 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.157 0.802 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.854 0.356 -2.888 1.00 0.00 H new ATOM 482 N ALA A 33 6.406 0.138 0.715 1.00 0.00 N ATOM 483 CA ALA A 33 7.643 -0.617 0.554 1.00 0.00 C ATOM 484 C ALA A 33 7.890 -1.483 1.783 1.00 0.00 C ATOM 485 O ALA A 33 8.310 -2.632 1.665 1.00 0.00 O ATOM 486 CB ALA A 33 8.818 0.336 0.343 1.00 0.00 C ATOM 0 H ALA A 33 6.495 1.143 0.566 1.00 0.00 H new ATOM 0 HA ALA A 33 7.550 -1.261 -0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.736 -0.239 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.646 0.934 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.912 0.995 1.206 1.00 0.00 H new ATOM 492 N THR A 34 7.603 -0.938 2.958 1.00 0.00 N ATOM 493 CA THR A 34 7.779 -1.697 4.186 1.00 0.00 C ATOM 494 C THR A 34 6.868 -2.930 4.168 1.00 0.00 C ATOM 495 O THR A 34 7.291 -4.025 4.553 1.00 0.00 O ATOM 496 CB THR A 34 7.497 -0.810 5.415 1.00 0.00 C ATOM 497 OG1 THR A 34 8.601 0.064 5.610 1.00 0.00 O ATOM 498 CG2 THR A 34 7.305 -1.667 6.674 1.00 0.00 C ATOM 0 H THR A 34 7.253 0.012 3.085 1.00 0.00 H new ATOM 0 HA THR A 34 8.813 -2.034 4.254 1.00 0.00 H new ATOM 0 HB THR A 34 6.583 -0.242 5.240 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.433 0.635 6.388 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.107 -1.019 7.528 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.463 -2.343 6.529 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.209 -2.248 6.860 1.00 0.00 H new ATOM 506 N VAL A 35 5.616 -2.758 3.718 1.00 0.00 N ATOM 507 CA VAL A 35 4.698 -3.897 3.675 1.00 0.00 C ATOM 508 C VAL A 35 5.154 -4.918 2.629 1.00 0.00 C ATOM 509 O VAL A 35 5.276 -6.110 2.918 1.00 0.00 O ATOM 510 CB VAL A 35 3.265 -3.428 3.381 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.371 -4.652 3.148 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.737 -2.650 4.588 1.00 0.00 C ATOM 0 H VAL A 35 5.229 -1.873 3.390 1.00 0.00 H new ATOM 0 HA VAL A 35 4.707 -4.379 4.653 1.00 0.00 H new ATOM 0 HB VAL A 35 3.260 -2.792 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.353 -4.324 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.750 -5.223 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.374 -5.280 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.720 -2.313 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.739 -3.296 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.376 -1.786 4.772 1.00 0.00 H new ATOM 522 N ILE A 36 5.436 -4.444 1.421 1.00 0.00 N ATOM 523 CA ILE A 36 5.899 -5.322 0.363 1.00 0.00 C ATOM 524 C ILE A 36 7.209 -5.972 0.775 1.00 0.00 C ATOM 525 O ILE A 36 7.434 -7.150 0.507 1.00 0.00 O ATOM 526 CB ILE A 36 6.051 -4.537 -0.951 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.677 -4.395 -1.626 1.00 0.00 C ATOM 528 CG2 ILE A 36 7.012 -5.275 -1.898 1.00 0.00 C ATOM 529 CD1 ILE A 36 3.623 -3.936 -0.620 1.00 0.00 C ATOM 0 H ILE A 36 5.352 -3.463 1.155 1.00 0.00 H new ATOM 0 HA ILE A 36 5.164 -6.109 0.196 1.00 0.00 H new ATOM 0 HB ILE A 36 6.455 -3.549 -0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.741 -3.678 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.380 -5.349 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.113 -4.711 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.989 -5.371 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.616 -6.267 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.659 -3.842 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.545 -4.667 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.912 -2.970 -0.205 1.00 0.00 H new ATOM 541 N ARG A 37 8.063 -5.203 1.431 1.00 0.00 N ATOM 542 CA ARG A 37 9.341 -5.723 1.883 1.00 0.00 C ATOM 543 C ARG A 37 9.135 -6.944 2.770 1.00 0.00 C ATOM 544 O ARG A 37 9.860 -7.931 2.661 1.00 0.00 O ATOM 545 CB ARG A 37 10.096 -4.641 2.657 1.00 0.00 C ATOM 546 CG ARG A 37 11.415 -5.211 3.167 1.00 0.00 C ATOM 547 CD ARG A 37 12.260 -4.087 3.763 1.00 0.00 C ATOM 548 NE ARG A 37 13.575 -4.594 4.135 1.00 0.00 N ATOM 549 CZ ARG A 37 13.773 -5.183 5.310 1.00 0.00 C ATOM 550 NH1 ARG A 37 12.780 -5.309 6.146 1.00 0.00 N ATOM 551 NH2 ARG A 37 14.955 -5.634 5.625 1.00 0.00 N ATOM 0 H ARG A 37 7.895 -4.223 1.661 1.00 0.00 H new ATOM 0 HA ARG A 37 9.926 -6.019 1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.283 -3.781 2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.492 -4.288 3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.226 -5.976 3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.955 -5.693 2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.365 -3.278 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.761 -3.671 4.638 1.00 0.00 H new ATOM 0 HE ARG A 37 14.354 -4.495 3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.856 -4.956 5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.927 -5.760 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.730 -5.535 4.969 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.105 -6.086 6.527 1.00 0.00 H new ATOM 565 N SER A 38 8.137 -6.870 3.637 1.00 0.00 N ATOM 566 CA SER A 38 7.833 -7.981 4.532 1.00 0.00 C ATOM 567 C SER A 38 7.352 -9.195 3.746 1.00 0.00 C ATOM 568 O SER A 38 7.644 -10.334 4.106 1.00 0.00 O ATOM 569 CB SER A 38 6.754 -7.572 5.530 1.00 0.00 C ATOM 570 OG SER A 38 7.302 -6.652 6.461 1.00 0.00 O ATOM 0 H SER A 38 7.526 -6.060 3.742 1.00 0.00 H new ATOM 0 HA SER A 38 8.747 -8.243 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.911 -7.120 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.372 -8.450 6.051 1.00 0.00 H new ATOM 0 HG SER A 38 7.377 -5.769 6.043 1.00 0.00 H new ATOM 576 N LEU A 39 6.584 -8.949 2.689 1.00 0.00 N ATOM 577 CA LEU A 39 6.043 -10.041 1.890 1.00 0.00 C ATOM 578 C LEU A 39 7.128 -10.798 1.119 1.00 0.00 C ATOM 579 O LEU A 39 6.826 -11.445 0.122 1.00 0.00 O ATOM 580 CB LEU A 39 5.005 -9.500 0.903 1.00 0.00 C ATOM 581 CG LEU A 39 3.826 -8.865 1.659 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.827 -8.264 0.654 1.00 0.00 C ATOM 583 CD2 LEU A 39 3.114 -9.928 2.519 1.00 0.00 C ATOM 0 H LEU A 39 6.325 -8.016 2.369 1.00 0.00 H new ATOM 0 HA LEU A 39 5.579 -10.743 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.467 -8.760 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.644 -10.308 0.266 1.00 0.00 H new ATOM 0 HG LEU A 39 4.207 -8.077 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.993 -7.815 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.326 -7.500 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.453 -9.050 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.281 -9.468 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.739 -10.725 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.818 -10.344 3.240 1.00 0.00 H new ATOM 595 N ASP A 40 8.371 -10.717 1.590 1.00 0.00 N ATOM 596 CA ASP A 40 9.500 -11.414 0.945 1.00 0.00 C ATOM 597 C ASP A 40 9.798 -10.857 -0.446 1.00 0.00 C ATOM 598 O ASP A 40 10.488 -11.497 -1.238 1.00 0.00 O ATOM 599 CB ASP A 40 9.213 -12.921 0.814 1.00 0.00 C ATOM 600 CG ASP A 40 8.919 -13.543 2.176 1.00 0.00 C ATOM 601 OD1 ASP A 40 9.636 -13.240 3.115 1.00 0.00 O ATOM 602 OD2 ASP A 40 7.987 -14.326 2.253 1.00 0.00 O ATOM 0 H ASP A 40 8.630 -10.177 2.416 1.00 0.00 H new ATOM 0 HA ASP A 40 10.367 -11.252 1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.364 -13.076 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.069 -13.420 0.360 1.00 0.00 H new ATOM 607 N GLN A 41 9.285 -9.666 -0.750 1.00 0.00 N ATOM 608 CA GLN A 41 9.522 -9.054 -2.062 1.00 0.00 C ATOM 609 C GLN A 41 9.837 -7.576 -1.886 1.00 0.00 C ATOM 610 O GLN A 41 9.304 -6.931 -0.991 1.00 0.00 O ATOM 611 CB GLN A 41 8.287 -9.218 -2.953 1.00 0.00 C ATOM 612 CG GLN A 41 8.662 -8.930 -4.410 1.00 0.00 C ATOM 613 CD GLN A 41 7.432 -9.055 -5.304 1.00 0.00 C ATOM 614 OE1 GLN A 41 6.340 -9.358 -4.822 1.00 0.00 O ATOM 615 NE2 GLN A 41 7.543 -8.835 -6.586 1.00 0.00 N ATOM 0 H GLN A 41 8.710 -9.110 -0.117 1.00 0.00 H new ATOM 0 HA GLN A 41 10.367 -9.551 -2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.892 -10.230 -2.862 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.499 -8.538 -2.629 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.082 -7.927 -4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.433 -9.627 -4.740 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.448 -8.584 -6.984 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.725 -8.914 -7.190 1.00 0.00 H new ATOM 624 N ASN A 42 10.712 -7.044 -2.737 1.00 0.00 N ATOM 625 CA ASN A 42 11.089 -5.634 -2.641 1.00 0.00 C ATOM 626 C ASN A 42 11.452 -5.061 -4.009 1.00 0.00 C ATOM 627 O ASN A 42 12.628 -4.955 -4.352 1.00 0.00 O ATOM 628 CB ASN A 42 12.285 -5.482 -1.698 1.00 0.00 C ATOM 629 CG ASN A 42 13.394 -6.448 -2.094 1.00 0.00 C ATOM 630 OD1 ASN A 42 14.243 -6.115 -2.919 1.00 0.00 O ATOM 631 ND2 ASN A 42 13.440 -7.633 -1.549 1.00 0.00 N ATOM 0 H ASN A 42 11.168 -7.558 -3.491 1.00 0.00 H new ATOM 0 HA ASN A 42 10.232 -5.083 -2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.656 -4.458 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.974 -5.675 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.181 -8.285 -1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.735 -7.907 -0.865 1.00 0.00 H new ATOM 638 N PRO A 43 10.470 -4.669 -4.783 1.00 0.00 N ATOM 639 CA PRO A 43 10.690 -4.059 -6.128 1.00 0.00 C ATOM 640 C PRO A 43 11.328 -2.675 -5.997 1.00 0.00 C ATOM 641 O PRO A 43 11.306 -2.080 -4.919 1.00 0.00 O ATOM 642 CB PRO A 43 9.274 -3.971 -6.744 1.00 0.00 C ATOM 643 CG PRO A 43 8.402 -4.817 -5.865 1.00 0.00 C ATOM 644 CD PRO A 43 9.036 -4.774 -4.480 1.00 0.00 C ATOM 0 HA PRO A 43 11.371 -4.642 -6.748 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.921 -2.940 -6.771 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.269 -4.337 -7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.383 -4.432 -5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.347 -5.840 -6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.682 -3.923 -3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.809 -5.670 -3.903 1.00 0.00 H new ATOM 652 N THR A 44 11.878 -2.154 -7.092 1.00 0.00 N ATOM 653 CA THR A 44 12.489 -0.834 -7.062 1.00 0.00 C ATOM 654 C THR A 44 11.414 0.232 -7.222 1.00 0.00 C ATOM 655 O THR A 44 10.325 -0.053 -7.723 1.00 0.00 O ATOM 656 CB THR A 44 13.503 -0.716 -8.206 1.00 0.00 C ATOM 657 OG1 THR A 44 12.929 -1.242 -9.395 1.00 0.00 O ATOM 658 CG2 THR A 44 14.766 -1.505 -7.863 1.00 0.00 C ATOM 0 H THR A 44 11.912 -2.621 -7.998 1.00 0.00 H new ATOM 0 HA THR A 44 12.997 -0.692 -6.108 1.00 0.00 H new ATOM 0 HB THR A 44 13.763 0.332 -8.352 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.955 -1.134 -9.364 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.483 -1.417 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.207 -1.107 -6.949 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.511 -2.554 -7.715 1.00 0.00 H new ATOM 666 N GLU A 45 11.724 1.456 -6.795 1.00 0.00 N ATOM 667 CA GLU A 45 10.763 2.559 -6.895 1.00 0.00 C ATOM 668 C GLU A 45 9.987 2.453 -8.208 1.00 0.00 C ATOM 669 O GLU A 45 8.763 2.570 -8.232 1.00 0.00 O ATOM 670 CB GLU A 45 11.490 3.904 -6.832 1.00 0.00 C ATOM 671 CG GLU A 45 10.461 5.037 -6.795 1.00 0.00 C ATOM 672 CD GLU A 45 11.169 6.378 -6.644 1.00 0.00 C ATOM 673 OE1 GLU A 45 12.335 6.373 -6.288 1.00 0.00 O ATOM 674 OE2 GLU A 45 10.534 7.391 -6.884 1.00 0.00 O ATOM 0 H GLU A 45 12.621 1.709 -6.381 1.00 0.00 H new ATOM 0 HA GLU A 45 10.067 2.495 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.125 3.946 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.142 4.018 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.867 5.031 -7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.770 4.885 -5.965 1.00 0.00 H new ATOM 681 N GLU A 46 10.717 2.237 -9.298 1.00 0.00 N ATOM 682 CA GLU A 46 10.099 2.115 -10.615 1.00 0.00 C ATOM 683 C GLU A 46 8.894 1.177 -10.560 1.00 0.00 C ATOM 684 O GLU A 46 7.763 1.590 -10.814 1.00 0.00 O ATOM 685 CB GLU A 46 11.126 1.577 -11.634 1.00 0.00 C ATOM 686 CG GLU A 46 12.545 1.933 -11.187 1.00 0.00 C ATOM 687 CD GLU A 46 13.535 1.626 -12.304 1.00 0.00 C ATOM 688 OE1 GLU A 46 13.091 1.251 -13.377 1.00 0.00 O ATOM 689 OE2 GLU A 46 14.724 1.775 -12.072 1.00 0.00 O ATOM 0 H GLU A 46 11.733 2.143 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 46 9.762 3.103 -10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.026 0.496 -11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.929 2.001 -12.619 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.598 2.989 -10.923 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.806 1.367 -10.293 1.00 0.00 H new ATOM 696 N GLU A 47 9.140 -0.090 -10.232 1.00 0.00 N ATOM 697 CA GLU A 47 8.057 -1.063 -10.162 1.00 0.00 C ATOM 698 C GLU A 47 6.979 -0.583 -9.199 1.00 0.00 C ATOM 699 O GLU A 47 5.789 -0.708 -9.479 1.00 0.00 O ATOM 700 CB GLU A 47 8.607 -2.427 -9.715 1.00 0.00 C ATOM 701 CG GLU A 47 9.216 -3.155 -10.919 1.00 0.00 C ATOM 702 CD GLU A 47 10.368 -2.337 -11.490 1.00 0.00 C ATOM 703 OE1 GLU A 47 11.026 -1.659 -10.721 1.00 0.00 O ATOM 704 OE2 GLU A 47 10.574 -2.397 -12.692 1.00 0.00 O ATOM 0 H GLU A 47 10.065 -0.461 -10.014 1.00 0.00 H new ATOM 0 HA GLU A 47 7.613 -1.171 -11.151 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.361 -2.290 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.808 -3.028 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.572 -4.140 -10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.455 -3.311 -11.684 1.00 0.00 H new ATOM 711 N LEU A 48 7.396 -0.023 -8.070 1.00 0.00 N ATOM 712 CA LEU A 48 6.440 0.472 -7.092 1.00 0.00 C ATOM 713 C LEU A 48 5.580 1.567 -7.710 1.00 0.00 C ATOM 714 O LEU A 48 4.365 1.591 -7.526 1.00 0.00 O ATOM 715 CB LEU A 48 7.205 1.015 -5.876 1.00 0.00 C ATOM 716 CG LEU A 48 7.618 -0.143 -4.950 1.00 0.00 C ATOM 717 CD1 LEU A 48 8.784 0.298 -4.059 1.00 0.00 C ATOM 718 CD2 LEU A 48 6.433 -0.555 -4.062 1.00 0.00 C ATOM 0 H LEU A 48 8.376 0.098 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 48 5.785 -0.339 -6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.089 1.560 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.581 1.722 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 48 7.924 -0.991 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.073 -0.525 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.632 0.581 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.477 1.152 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.735 -1.375 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.120 0.295 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.603 -0.877 -4.690 1.00 0.00 H new ATOM 730 N GLN A 49 6.212 2.456 -8.454 1.00 0.00 N ATOM 731 CA GLN A 49 5.477 3.532 -9.105 1.00 0.00 C ATOM 732 C GLN A 49 4.527 2.967 -10.158 1.00 0.00 C ATOM 733 O GLN A 49 3.336 3.275 -10.157 1.00 0.00 O ATOM 734 CB GLN A 49 6.450 4.523 -9.747 1.00 0.00 C ATOM 735 CG GLN A 49 7.091 5.385 -8.657 1.00 0.00 C ATOM 736 CD GLN A 49 8.104 6.341 -9.275 1.00 0.00 C ATOM 737 OE1 GLN A 49 9.174 5.862 -9.848 1.00 0.00 O flip ATOM 738 NE2 GLN A 49 7.915 7.557 -9.239 1.00 0.00 N flip ATOM 0 H GLN A 49 7.218 2.458 -8.623 1.00 0.00 H new ATOM 0 HA GLN A 49 4.888 4.056 -8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.220 3.986 -10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.924 5.154 -10.463 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.322 5.949 -8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.582 4.749 -7.921 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.078 7.930 -8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.595 8.191 -9.657 1.00 0.00 H new ATOM 747 N ASP A 50 5.056 2.144 -11.059 1.00 0.00 N ATOM 748 CA ASP A 50 4.234 1.559 -12.114 1.00 0.00 C ATOM 749 C ASP A 50 3.089 0.745 -11.515 1.00 0.00 C ATOM 750 O ASP A 50 1.969 0.770 -12.024 1.00 0.00 O ATOM 751 CB ASP A 50 5.089 0.659 -13.009 1.00 0.00 C ATOM 752 CG ASP A 50 4.233 0.068 -14.127 1.00 0.00 C ATOM 753 OD1 ASP A 50 3.027 0.259 -14.088 1.00 0.00 O ATOM 754 OD2 ASP A 50 4.795 -0.565 -15.004 1.00 0.00 O ATOM 0 H ASP A 50 6.038 1.869 -11.081 1.00 0.00 H new ATOM 0 HA ASP A 50 3.815 2.370 -12.711 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.912 1.233 -13.435 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.531 -0.142 -12.417 1.00 0.00 H new ATOM 759 N MET A 51 3.368 0.045 -10.421 1.00 0.00 N ATOM 760 CA MET A 51 2.332 -0.744 -9.763 1.00 0.00 C ATOM 761 C MET A 51 1.345 0.182 -9.060 1.00 0.00 C ATOM 762 O MET A 51 0.131 0.041 -9.214 1.00 0.00 O ATOM 763 CB MET A 51 2.958 -1.718 -8.752 1.00 0.00 C ATOM 764 CG MET A 51 3.464 -2.971 -9.478 1.00 0.00 C ATOM 765 SD MET A 51 4.396 -2.483 -10.958 1.00 0.00 S ATOM 766 CE MET A 51 3.446 -3.421 -12.182 1.00 0.00 C ATOM 0 H MET A 51 4.285 0.007 -9.977 1.00 0.00 H new ATOM 0 HA MET A 51 1.801 -1.325 -10.517 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.782 -1.233 -8.229 1.00 0.00 H new ATOM 0 HB3 MET A 51 2.222 -1.996 -7.998 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.098 -3.557 -8.813 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.623 -3.606 -9.758 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.866 -3.254 -13.174 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.493 -4.483 -11.943 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.407 -3.091 -12.167 1.00 0.00 H new ATOM 776 N ILE A 52 1.868 1.142 -8.303 1.00 0.00 N ATOM 777 CA ILE A 52 1.003 2.085 -7.608 1.00 0.00 C ATOM 778 C ILE A 52 0.213 2.904 -8.618 1.00 0.00 C ATOM 779 O ILE A 52 -1.000 3.047 -8.497 1.00 0.00 O ATOM 780 CB ILE A 52 1.839 3.013 -6.713 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.366 2.222 -5.517 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.976 4.176 -6.208 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.452 3.032 -4.807 1.00 0.00 C ATOM 0 H ILE A 52 2.867 1.285 -8.158 1.00 0.00 H new ATOM 0 HA ILE A 52 0.307 1.529 -6.980 1.00 0.00 H new ATOM 0 HB ILE A 52 2.672 3.411 -7.292 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.552 2.002 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.770 1.266 -5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.578 4.828 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.598 4.744 -7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.138 3.784 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.828 2.467 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.270 3.230 -5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.033 3.977 -4.461 1.00 0.00 H new ATOM 795 N SER A 53 0.906 3.419 -9.626 1.00 0.00 N ATOM 796 CA SER A 53 0.243 4.215 -10.647 1.00 0.00 C ATOM 797 C SER A 53 -0.855 3.392 -11.309 1.00 0.00 C ATOM 798 O SER A 53 -1.968 3.877 -11.514 1.00 0.00 O ATOM 799 CB SER A 53 1.257 4.670 -11.697 1.00 0.00 C ATOM 800 OG SER A 53 1.862 3.531 -12.288 1.00 0.00 O ATOM 0 H SER A 53 1.911 3.302 -9.757 1.00 0.00 H new ATOM 0 HA SER A 53 -0.201 5.094 -10.180 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.763 5.271 -12.460 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.016 5.302 -11.236 1.00 0.00 H new ATOM 0 HG SER A 53 2.533 3.163 -11.676 1.00 0.00 H new ATOM 806 N GLU A 54 -0.535 2.150 -11.653 1.00 0.00 N ATOM 807 CA GLU A 54 -1.504 1.276 -12.306 1.00 0.00 C ATOM 808 C GLU A 54 -2.870 1.374 -11.625 1.00 0.00 C ATOM 809 O GLU A 54 -3.901 1.188 -12.271 1.00 0.00 O ATOM 810 CB GLU A 54 -1.010 -0.176 -12.269 1.00 0.00 C ATOM 811 CG GLU A 54 -1.995 -1.075 -13.023 1.00 0.00 C ATOM 812 CD GLU A 54 -1.477 -2.508 -13.056 1.00 0.00 C ATOM 813 OE1 GLU A 54 -0.514 -2.783 -12.361 1.00 0.00 O ATOM 814 OE2 GLU A 54 -2.054 -3.309 -13.771 1.00 0.00 O ATOM 0 H GLU A 54 0.379 1.728 -11.493 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.609 1.596 -13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.020 -0.245 -12.720 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.913 -0.511 -11.236 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.971 -1.044 -12.539 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.131 -0.706 -14.040 1.00 0.00 H new ATOM 821 N VAL A 55 -2.876 1.659 -10.318 1.00 0.00 N ATOM 822 CA VAL A 55 -4.134 1.772 -9.565 1.00 0.00 C ATOM 823 C VAL A 55 -4.362 3.187 -9.051 1.00 0.00 C ATOM 824 O VAL A 55 -5.506 3.617 -8.916 1.00 0.00 O ATOM 825 CB VAL A 55 -4.126 0.805 -8.382 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.874 1.042 -7.535 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.380 1.021 -7.521 1.00 0.00 C ATOM 0 H VAL A 55 -2.035 1.814 -9.763 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.945 1.522 -10.249 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.123 -0.219 -8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.869 0.352 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.986 0.876 -8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.874 2.067 -7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.367 0.328 -6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.393 2.045 -7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.270 0.843 -8.124 1.00 0.00 H new ATOM 837 N ASP A 56 -3.289 3.910 -8.750 1.00 0.00 N ATOM 838 CA ASP A 56 -3.446 5.259 -8.243 1.00 0.00 C ATOM 839 C ASP A 56 -4.210 6.074 -9.276 1.00 0.00 C ATOM 840 O ASP A 56 -3.627 6.737 -10.133 1.00 0.00 O ATOM 841 CB ASP A 56 -2.071 5.891 -7.949 1.00 0.00 C ATOM 842 CG ASP A 56 -2.175 6.892 -6.800 1.00 0.00 C ATOM 843 OD1 ASP A 56 -2.858 7.879 -6.962 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.579 6.645 -5.765 1.00 0.00 O ATOM 0 H ASP A 56 -2.325 3.591 -8.847 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.003 5.242 -7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.353 5.111 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.696 6.391 -8.842 1.00 0.00 H new ATOM 849 N ALA A 57 -5.528 5.997 -9.188 1.00 0.00 N ATOM 850 CA ALA A 57 -6.383 6.719 -10.124 1.00 0.00 C ATOM 851 C ALA A 57 -6.090 8.212 -10.071 1.00 0.00 C ATOM 852 O ALA A 57 -6.170 8.907 -11.083 1.00 0.00 O ATOM 853 CB ALA A 57 -7.858 6.484 -9.799 1.00 0.00 C ATOM 0 H ALA A 57 -6.027 5.449 -8.487 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.173 6.345 -11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.479 7.031 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.081 5.419 -9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.068 6.834 -8.788 1.00 0.00 H new ATOM 859 N ASP A 58 -5.768 8.702 -8.880 1.00 0.00 N ATOM 860 CA ASP A 58 -5.484 10.128 -8.696 1.00 0.00 C ATOM 861 C ASP A 58 -3.992 10.431 -8.820 1.00 0.00 C ATOM 862 O ASP A 58 -3.604 11.570 -9.083 1.00 0.00 O ATOM 863 CB ASP A 58 -5.982 10.568 -7.323 1.00 0.00 C ATOM 864 CG ASP A 58 -5.389 9.667 -6.245 1.00 0.00 C ATOM 865 OD1 ASP A 58 -5.138 8.510 -6.542 1.00 0.00 O ATOM 866 OD2 ASP A 58 -5.195 10.146 -5.141 1.00 0.00 O ATOM 0 H ASP A 58 -5.696 8.142 -8.031 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.001 10.679 -9.482 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.700 11.605 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.071 10.523 -7.289 1.00 0.00 H new ATOM 871 N GLY A 59 -3.158 9.420 -8.619 1.00 0.00 N ATOM 872 CA GLY A 59 -1.711 9.606 -8.702 1.00 0.00 C ATOM 873 C GLY A 59 -1.226 10.602 -7.650 1.00 0.00 C ATOM 874 O GLY A 59 -0.738 11.675 -7.991 1.00 0.00 O ATOM 0 H GLY A 59 -3.453 8.469 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.209 8.649 -8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.443 9.963 -9.697 1.00 0.00 H new ATOM 878 N ASN A 60 -1.366 10.248 -6.366 1.00 0.00 N ATOM 879 CA ASN A 60 -0.932 11.141 -5.281 1.00 0.00 C ATOM 880 C ASN A 60 0.329 10.621 -4.598 1.00 0.00 C ATOM 881 O ASN A 60 0.965 11.348 -3.836 1.00 0.00 O ATOM 882 CB ASN A 60 -2.040 11.278 -4.238 1.00 0.00 C ATOM 883 CG ASN A 60 -2.351 9.917 -3.633 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.626 8.952 -3.872 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.391 9.778 -2.859 1.00 0.00 N ATOM 0 H ASN A 60 -1.770 9.364 -6.055 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.713 12.112 -5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.732 11.972 -3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.936 11.695 -4.699 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.605 8.868 -2.450 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.991 10.579 -2.662 1.00 0.00 H new ATOM 892 N GLY A 61 0.692 9.365 -4.860 1.00 0.00 N ATOM 893 CA GLY A 61 1.885 8.779 -4.241 1.00 0.00 C ATOM 894 C GLY A 61 1.513 7.977 -2.996 1.00 0.00 C ATOM 895 O GLY A 61 2.381 7.514 -2.257 1.00 0.00 O ATOM 0 H GLY A 61 0.186 8.740 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.391 8.132 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.587 9.569 -3.974 1.00 0.00 H new ATOM 899 N THR A 62 0.210 7.814 -2.777 1.00 0.00 N ATOM 900 CA THR A 62 -0.304 7.063 -1.630 1.00 0.00 C ATOM 901 C THR A 62 -1.423 6.129 -2.079 1.00 0.00 C ATOM 902 O THR A 62 -1.972 6.286 -3.169 1.00 0.00 O ATOM 903 CB THR A 62 -0.840 8.030 -0.567 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.018 8.658 -1.053 1.00 0.00 O ATOM 905 CG2 THR A 62 0.217 9.093 -0.254 1.00 0.00 C ATOM 0 H THR A 62 -0.516 8.195 -3.384 1.00 0.00 H new ATOM 0 HA THR A 62 0.508 6.474 -1.203 1.00 0.00 H new ATOM 0 HB THR A 62 -1.071 7.476 0.343 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.363 9.276 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.168 9.778 0.502 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.119 8.610 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.453 9.649 -1.161 1.00 0.00 H new ATOM 913 N ILE A 63 -1.766 5.161 -1.226 1.00 0.00 N ATOM 914 CA ILE A 63 -2.835 4.209 -1.540 1.00 0.00 C ATOM 915 C ILE A 63 -3.925 4.294 -0.474 1.00 0.00 C ATOM 916 O ILE A 63 -3.634 4.215 0.725 1.00 0.00 O ATOM 917 CB ILE A 63 -2.279 2.780 -1.573 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.034 2.730 -2.462 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.332 1.830 -2.151 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.575 1.277 -2.617 1.00 0.00 C ATOM 0 H ILE A 63 -1.323 5.016 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.250 4.457 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.022 2.478 -0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.255 3.159 -3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.236 3.330 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.934 0.816 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.226 1.855 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.587 2.142 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.312 1.241 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.338 0.864 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.372 0.691 -3.075 1.00 0.00 H new ATOM 932 N GLU A 64 -5.175 4.460 -0.912 1.00 0.00 N ATOM 933 CA GLU A 64 -6.306 4.556 0.013 1.00 0.00 C ATOM 934 C GLU A 64 -7.089 3.244 0.019 1.00 0.00 C ATOM 935 O GLU A 64 -6.793 2.331 -0.751 1.00 0.00 O ATOM 936 CB GLU A 64 -7.224 5.711 -0.395 1.00 0.00 C ATOM 937 CG GLU A 64 -6.501 7.043 -0.168 1.00 0.00 C ATOM 938 CD GLU A 64 -7.376 8.200 -0.641 1.00 0.00 C ATOM 939 OE1 GLU A 64 -7.963 8.075 -1.702 1.00 0.00 O ATOM 940 OE2 GLU A 64 -7.447 9.190 0.067 1.00 0.00 O ATOM 0 H GLU A 64 -5.429 4.530 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.925 4.746 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.506 5.612 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.145 5.681 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.266 7.163 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.554 7.049 -0.708 1.00 0.00 H new ATOM 947 N PHE A 65 -8.078 3.146 0.904 1.00 0.00 N ATOM 948 CA PHE A 65 -8.868 1.920 1.001 1.00 0.00 C ATOM 949 C PHE A 65 -9.474 1.564 -0.354 1.00 0.00 C ATOM 950 O PHE A 65 -9.323 0.436 -0.823 1.00 0.00 O ATOM 951 CB PHE A 65 -9.984 2.091 2.039 1.00 0.00 C ATOM 952 CG PHE A 65 -10.939 0.914 1.974 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.625 -0.285 2.624 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.137 1.026 1.257 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.509 -1.373 2.557 1.00 0.00 C ATOM 956 CE2 PHE A 65 -13.022 -0.059 1.189 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.709 -1.260 1.840 1.00 0.00 C ATOM 0 H PHE A 65 -8.349 3.885 1.553 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.208 1.111 1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.554 2.166 3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.525 3.019 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.702 -0.373 3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.380 1.951 0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.265 -2.298 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.945 0.031 0.635 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.390 -2.096 1.790 1.00 0.00 H new ATOM 967 N ASP A 66 -10.161 2.513 -0.980 1.00 0.00 N ATOM 968 CA ASP A 66 -10.779 2.247 -2.272 1.00 0.00 C ATOM 969 C ASP A 66 -9.725 1.802 -3.275 1.00 0.00 C ATOM 970 O ASP A 66 -9.921 0.830 -4.006 1.00 0.00 O ATOM 971 CB ASP A 66 -11.474 3.509 -2.790 1.00 0.00 C ATOM 972 CG ASP A 66 -12.745 3.774 -1.989 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.156 2.889 -1.258 1.00 0.00 O ATOM 974 OD2 ASP A 66 -13.287 4.860 -2.118 1.00 0.00 O ATOM 0 H ASP A 66 -10.302 3.457 -0.621 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.516 1.453 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.801 4.363 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.718 3.392 -3.846 1.00 0.00 H new ATOM 979 N GLU A 67 -8.604 2.505 -3.296 1.00 0.00 N ATOM 980 CA GLU A 67 -7.525 2.159 -4.207 1.00 0.00 C ATOM 981 C GLU A 67 -6.939 0.800 -3.839 1.00 0.00 C ATOM 982 O GLU A 67 -6.714 -0.046 -4.704 1.00 0.00 O ATOM 983 CB GLU A 67 -6.430 3.222 -4.144 1.00 0.00 C ATOM 984 CG GLU A 67 -6.959 4.535 -4.727 1.00 0.00 C ATOM 985 CD GLU A 67 -5.893 5.617 -4.616 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.815 5.303 -4.140 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.167 6.741 -5.007 1.00 0.00 O ATOM 0 H GLU A 67 -8.418 3.311 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.925 2.111 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.113 3.372 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.554 2.891 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.239 4.393 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.859 4.843 -4.195 1.00 0.00 H new ATOM 994 N PHE A 68 -6.713 0.591 -2.547 1.00 0.00 N ATOM 995 CA PHE A 68 -6.165 -0.673 -2.071 1.00 0.00 C ATOM 996 C PHE A 68 -7.113 -1.827 -2.374 1.00 0.00 C ATOM 997 O PHE A 68 -6.687 -2.888 -2.831 1.00 0.00 O ATOM 998 CB PHE A 68 -5.904 -0.607 -0.568 1.00 0.00 C ATOM 999 CG PHE A 68 -5.376 -1.943 -0.091 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.081 -2.345 -0.431 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.182 -2.774 0.693 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.593 -3.578 0.014 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.696 -4.007 1.140 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.400 -4.410 0.802 1.00 0.00 C ATOM 0 H PHE A 68 -6.899 1.276 -1.815 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.224 -0.847 -2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.184 0.181 -0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.823 -0.357 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.458 -1.704 -1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.183 -2.463 0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.593 -3.889 -0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.321 -4.647 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.022 -5.361 1.148 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.402 -1.619 -2.120 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.396 -2.653 -2.372 1.00 0.00 C ATOM 1016 C LEU A 69 -9.448 -2.993 -3.857 1.00 0.00 C ATOM 1017 O LEU A 69 -9.514 -4.162 -4.233 1.00 0.00 O ATOM 1018 CB LEU A 69 -10.772 -2.172 -1.882 1.00 0.00 C ATOM 1019 CG LEU A 69 -11.858 -3.243 -2.180 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.839 -3.338 -1.002 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -12.635 -2.864 -3.456 1.00 0.00 C ATOM 0 H LEU A 69 -8.779 -0.750 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.118 -3.555 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.734 -1.971 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.033 -1.234 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.368 -4.206 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.597 -4.091 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.297 -3.619 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.320 -2.372 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.394 -3.620 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.115 -1.896 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.946 -2.808 -4.299 1.00 0.00 H new ATOM 1033 N SER A 70 -9.391 -1.965 -4.696 1.00 0.00 N ATOM 1034 CA SER A 70 -9.409 -2.181 -6.133 1.00 0.00 C ATOM 1035 C SER A 70 -8.171 -2.954 -6.565 1.00 0.00 C ATOM 1036 O SER A 70 -8.265 -3.896 -7.341 1.00 0.00 O ATOM 1037 CB SER A 70 -9.465 -0.842 -6.872 1.00 0.00 C ATOM 1038 OG SER A 70 -9.117 -1.043 -8.237 1.00 0.00 O ATOM 0 H SER A 70 -9.333 -0.988 -4.409 1.00 0.00 H new ATOM 0 HA SER A 70 -10.297 -2.761 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.465 -0.415 -6.799 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.780 -0.130 -6.411 1.00 0.00 H new ATOM 0 HG SER A 70 -9.153 -0.187 -8.713 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.013 -2.547 -6.064 1.00 0.00 N ATOM 1045 CA LEU A 71 -5.765 -3.204 -6.437 1.00 0.00 C ATOM 1046 C LEU A 71 -5.813 -4.694 -6.078 1.00 0.00 C ATOM 1047 O LEU A 71 -5.386 -5.549 -6.863 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.581 -2.532 -5.692 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.310 -2.575 -6.554 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -2.109 -2.056 -5.750 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -3.038 -4.011 -7.012 1.00 0.00 C ATOM 0 H LEU A 71 -6.910 -1.775 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.627 -3.106 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.832 -1.498 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.403 -3.042 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.457 -1.940 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.213 -2.091 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.296 -1.028 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.964 -2.680 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.135 -4.033 -7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.902 -4.651 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.882 -4.372 -7.599 1.00 0.00 H new ATOM 1063 N MET A 72 -6.347 -5.004 -4.901 1.00 0.00 N ATOM 1064 CA MET A 72 -6.439 -6.393 -4.475 1.00 0.00 C ATOM 1065 C MET A 72 -7.506 -7.116 -5.287 1.00 0.00 C ATOM 1066 O MET A 72 -7.250 -8.170 -5.869 1.00 0.00 O ATOM 1067 CB MET A 72 -6.771 -6.456 -2.976 1.00 0.00 C ATOM 1068 CG MET A 72 -6.395 -7.833 -2.407 1.00 0.00 C ATOM 1069 SD MET A 72 -6.539 -7.808 -0.598 1.00 0.00 S ATOM 1070 CE MET A 72 -6.958 -9.554 -0.368 1.00 0.00 C ATOM 0 H MET A 72 -6.716 -4.324 -4.236 1.00 0.00 H new ATOM 0 HA MET A 72 -5.481 -6.885 -4.643 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.230 -5.674 -2.443 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.834 -6.269 -2.823 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.049 -8.600 -2.823 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.376 -8.091 -2.697 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.093 -9.759 0.694 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.881 -9.780 -0.901 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.152 -10.176 -0.758 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.700 -6.537 -5.341 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.784 -7.135 -6.105 1.00 0.00 C ATOM 1082 C ALA A 73 -9.442 -7.155 -7.595 1.00 0.00 C ATOM 1083 O ALA A 73 -9.867 -8.046 -8.321 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.080 -6.357 -5.884 1.00 0.00 C ATOM 0 H ALA A 73 -8.939 -5.664 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.920 -8.160 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.883 -6.815 -6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.339 -6.375 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.944 -5.325 -6.207 1.00 0.00 H new