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 Single : A 13 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0785) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.0159 (180deg=-0.266) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.229 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 42 ASN : amide:sc= -4.44! C(o=-4.4!,f=-7.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -3.98! C(o=-4!,f=-7.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 72:sc= 0.441 USER MOD Single : A 72 MET CE :methyl -179:sc= -0.262 (180deg=-0.279) USER MOD ----------------------------------------------------------------- ATOM 121 N ILE A 9 -14.821 -7.117 2.928 1.00 0.00 N ATOM 122 CA ILE A 9 -14.563 -5.709 3.198 1.00 0.00 C ATOM 123 C ILE A 9 -13.927 -5.548 4.574 1.00 0.00 C ATOM 124 O ILE A 9 -12.945 -4.822 4.730 1.00 0.00 O ATOM 125 CB ILE A 9 -15.868 -4.909 3.137 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.583 -5.182 1.804 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.569 -3.413 3.266 1.00 0.00 C ATOM 128 CD1 ILE A 9 -15.655 -4.886 0.614 1.00 0.00 C ATOM 0 HA ILE A 9 -13.878 -5.330 2.440 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.513 -5.216 3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.908 -6.222 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.479 -4.565 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.502 -2.850 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.075 -3.222 4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.918 -3.100 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.183 -5.087 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.351 -3.840 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.772 -5.522 0.675 1.00 0.00 H new ATOM 140 N VAL A 10 -14.478 -6.237 5.571 1.00 0.00 N ATOM 141 CA VAL A 10 -13.928 -6.159 6.917 1.00 0.00 C ATOM 142 C VAL A 10 -12.507 -6.709 6.927 1.00 0.00 C ATOM 143 O VAL A 10 -11.592 -6.085 7.466 1.00 0.00 O ATOM 144 CB VAL A 10 -14.803 -6.946 7.896 1.00 0.00 C ATOM 145 CG1 VAL A 10 -14.133 -6.974 9.272 1.00 0.00 C ATOM 146 CG2 VAL A 10 -16.169 -6.265 8.011 1.00 0.00 C ATOM 0 H VAL A 10 -15.291 -6.845 5.473 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.909 -5.115 7.230 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.930 -7.966 7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.756 -7.534 9.969 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.157 -7.453 9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.008 -5.954 9.637 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.796 -6.822 8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -16.038 -5.246 8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.647 -6.241 7.032 1.00 0.00 H new ATOM 156 N ASP A 11 -12.319 -7.875 6.309 1.00 0.00 N ATOM 157 CA ASP A 11 -10.988 -8.469 6.253 1.00 0.00 C ATOM 158 C ASP A 11 -10.047 -7.558 5.470 1.00 0.00 C ATOM 159 O ASP A 11 -8.895 -7.351 5.857 1.00 0.00 O ATOM 160 CB ASP A 11 -11.047 -9.856 5.597 1.00 0.00 C ATOM 161 CG ASP A 11 -11.675 -10.859 6.560 1.00 0.00 C ATOM 162 OD1 ASP A 11 -11.880 -10.501 7.708 1.00 0.00 O ATOM 163 OD2 ASP A 11 -11.940 -11.974 6.137 1.00 0.00 O ATOM 0 H ASP A 11 -13.053 -8.415 5.851 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.611 -8.583 7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.629 -9.808 4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.043 -10.181 5.323 1.00 0.00 H new ATOM 168 N PHE A 12 -10.547 -7.023 4.361 1.00 0.00 N ATOM 169 CA PHE A 12 -9.743 -6.141 3.522 1.00 0.00 C ATOM 170 C PHE A 12 -9.311 -4.924 4.329 1.00 0.00 C ATOM 171 O PHE A 12 -8.147 -4.525 4.295 1.00 0.00 O ATOM 172 CB PHE A 12 -10.544 -5.702 2.283 1.00 0.00 C ATOM 173 CG PHE A 12 -10.470 -6.762 1.195 1.00 0.00 C ATOM 174 CD1 PHE A 12 -10.413 -8.129 1.519 1.00 0.00 C ATOM 175 CD2 PHE A 12 -10.459 -6.371 -0.151 1.00 0.00 C ATOM 176 CE1 PHE A 12 -10.340 -9.086 0.501 1.00 0.00 C ATOM 177 CE2 PHE A 12 -10.386 -7.333 -1.163 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.325 -8.687 -0.840 1.00 0.00 C ATOM 0 H PHE A 12 -11.496 -7.183 4.024 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.858 -6.680 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.584 -5.528 2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.152 -4.758 1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.426 -8.440 2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.507 -5.323 -0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.295 -10.136 0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.377 -7.026 -2.198 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.266 -9.428 -1.624 1.00 0.00 H new ATOM 188 N LYS A 13 -10.253 -4.329 5.052 1.00 0.00 N ATOM 189 CA LYS A 13 -9.947 -3.160 5.856 1.00 0.00 C ATOM 190 C LYS A 13 -8.875 -3.496 6.887 1.00 0.00 C ATOM 191 O LYS A 13 -8.046 -2.653 7.225 1.00 0.00 O ATOM 192 CB LYS A 13 -11.219 -2.677 6.567 1.00 0.00 C ATOM 193 CG LYS A 13 -10.961 -1.362 7.328 1.00 0.00 C ATOM 194 CD LYS A 13 -10.792 -0.191 6.345 1.00 0.00 C ATOM 195 CE LYS A 13 -10.947 1.137 7.094 1.00 0.00 C ATOM 196 NZ LYS A 13 -9.834 1.287 8.071 1.00 0.00 N ATOM 0 H LYS A 13 -11.225 -4.636 5.096 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.573 -2.369 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.014 -2.528 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.564 -3.442 7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.791 -1.159 8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.066 -1.461 7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.812 -0.240 5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.535 -0.260 5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.941 1.968 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.906 1.166 7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.849 2.247 8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.948 0.593 8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.926 1.126 7.590 1.00 0.00 H new ATOM 210 N GLU A 14 -8.885 -4.731 7.384 1.00 0.00 N ATOM 211 CA GLU A 14 -7.892 -5.144 8.367 1.00 0.00 C ATOM 212 C GLU A 14 -6.515 -5.172 7.738 1.00 0.00 C ATOM 213 O GLU A 14 -5.520 -4.806 8.363 1.00 0.00 O ATOM 214 CB GLU A 14 -8.217 -6.532 8.883 1.00 0.00 C ATOM 215 CG GLU A 14 -7.352 -6.834 10.112 1.00 0.00 C ATOM 216 CD GLU A 14 -7.781 -5.963 11.291 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.896 -5.469 11.266 1.00 0.00 O ATOM 218 OE2 GLU A 14 -6.986 -5.803 12.202 1.00 0.00 O ATOM 0 H GLU A 14 -9.559 -5.452 7.126 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.907 -4.430 9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.273 -6.597 9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.034 -7.273 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.442 -7.887 10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.303 -6.652 9.880 1.00 0.00 H new ATOM 225 N ALA A 15 -6.474 -5.605 6.492 1.00 0.00 N ATOM 226 CA ALA A 15 -5.209 -5.668 5.773 1.00 0.00 C ATOM 227 C ALA A 15 -4.642 -4.262 5.594 1.00 0.00 C ATOM 228 O ALA A 15 -3.457 -4.033 5.834 1.00 0.00 O ATOM 229 CB ALA A 15 -5.383 -6.327 4.404 1.00 0.00 C ATOM 0 H ALA A 15 -7.287 -5.915 5.960 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.517 -6.272 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.422 -6.360 3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.760 -7.342 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.092 -5.750 3.810 1.00 0.00 H new ATOM 235 N PHE A 16 -5.488 -3.315 5.178 1.00 0.00 N ATOM 236 CA PHE A 16 -5.044 -1.938 4.985 1.00 0.00 C ATOM 237 C PHE A 16 -4.584 -1.321 6.300 1.00 0.00 C ATOM 238 O PHE A 16 -3.525 -0.697 6.369 1.00 0.00 O ATOM 239 CB PHE A 16 -6.194 -1.102 4.420 1.00 0.00 C ATOM 240 CG PHE A 16 -5.735 0.320 4.219 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.084 0.687 3.035 1.00 0.00 C ATOM 242 CD2 PHE A 16 -5.968 1.275 5.215 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.666 2.010 2.849 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.548 2.595 5.029 1.00 0.00 C ATOM 245 CZ PHE A 16 -4.897 2.962 3.846 1.00 0.00 C ATOM 0 H PHE A 16 -6.474 -3.477 4.971 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.205 -1.947 4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.532 -1.523 3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.044 -1.127 5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.905 -0.050 2.266 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.472 0.992 6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.165 2.295 1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.726 3.332 5.798 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.573 3.982 3.703 1.00 0.00 H new ATOM 255 N GLY A 17 -5.394 -1.489 7.341 1.00 0.00 N ATOM 256 CA GLY A 17 -5.061 -0.932 8.644 1.00 0.00 C ATOM 257 C GLY A 17 -3.708 -1.438 9.112 1.00 0.00 C ATOM 258 O GLY A 17 -2.888 -0.670 9.612 1.00 0.00 O ATOM 0 H GLY A 17 -6.276 -2.001 7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.049 0.156 8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.828 -1.205 9.369 1.00 0.00 H new ATOM 262 N LEU A 18 -3.473 -2.732 8.944 1.00 0.00 N ATOM 263 CA LEU A 18 -2.210 -3.325 9.350 1.00 0.00 C ATOM 264 C LEU A 18 -1.064 -2.726 8.545 1.00 0.00 C ATOM 265 O LEU A 18 0.029 -2.501 9.067 1.00 0.00 O ATOM 266 CB LEU A 18 -2.276 -4.844 9.119 1.00 0.00 C ATOM 267 CG LEU A 18 -1.272 -5.580 10.035 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.894 -5.831 11.417 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.891 -6.934 9.417 1.00 0.00 C ATOM 0 H LEU A 18 -4.137 -3.387 8.531 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.034 -3.120 10.406 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.286 -5.203 9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.056 -5.068 8.075 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.385 -4.955 10.140 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.175 -6.350 12.051 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.160 -4.878 11.875 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.789 -6.443 11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.183 -7.445 10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.786 -7.546 9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.433 -6.773 8.441 1.00 0.00 H new ATOM 281 N PHE A 19 -1.316 -2.497 7.264 1.00 0.00 N ATOM 282 CA PHE A 19 -0.299 -1.950 6.381 1.00 0.00 C ATOM 283 C PHE A 19 0.022 -0.523 6.771 1.00 0.00 C ATOM 284 O PHE A 19 1.181 -0.110 6.768 1.00 0.00 O ATOM 285 CB PHE A 19 -0.792 -1.996 4.934 1.00 0.00 C ATOM 286 CG PHE A 19 -0.846 -3.432 4.410 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.783 -4.559 5.275 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.961 -3.639 3.030 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.837 -5.851 4.746 1.00 0.00 C ATOM 290 CE2 PHE A 19 -1.010 -4.939 2.512 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.948 -6.043 3.370 1.00 0.00 C ATOM 0 H PHE A 19 -2.213 -2.681 6.815 1.00 0.00 H new ATOM 0 HA PHE A 19 0.607 -2.550 6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.783 -1.546 4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.131 -1.401 4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.693 -4.416 6.342 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.012 -2.792 2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.793 -6.705 5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.096 -5.090 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.986 -7.044 2.966 1.00 0.00 H new ATOM 301 N ASP A 20 -1.012 0.218 7.113 1.00 0.00 N ATOM 302 CA ASP A 20 -0.843 1.600 7.517 1.00 0.00 C ATOM 303 C ASP A 20 -0.430 1.666 8.986 1.00 0.00 C ATOM 304 O ASP A 20 -1.126 2.251 9.810 1.00 0.00 O ATOM 305 CB ASP A 20 -2.160 2.336 7.296 1.00 0.00 C ATOM 306 CG ASP A 20 -2.072 3.763 7.832 1.00 0.00 C ATOM 307 OD1 ASP A 20 -0.965 4.215 8.078 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.112 4.385 7.977 1.00 0.00 O ATOM 0 H ASP A 20 -1.977 -0.112 7.120 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.060 2.071 6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.399 2.355 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.969 1.803 7.795 1.00 0.00 H new ATOM 313 N LYS A 21 0.693 1.022 9.299 1.00 0.00 N ATOM 314 CA LYS A 21 1.201 0.968 10.670 1.00 0.00 C ATOM 315 C LYS A 21 0.977 2.286 11.412 1.00 0.00 C ATOM 316 O LYS A 21 0.977 2.311 12.645 1.00 0.00 O ATOM 317 CB LYS A 21 2.695 0.645 10.663 1.00 0.00 C ATOM 318 CG LYS A 21 3.146 0.326 12.091 1.00 0.00 C ATOM 319 CD LYS A 21 4.587 -0.170 12.057 1.00 0.00 C ATOM 320 CE LYS A 21 5.053 -0.529 13.473 1.00 0.00 C ATOM 321 NZ LYS A 21 5.129 0.706 14.302 1.00 0.00 N ATOM 0 H LYS A 21 1.271 0.528 8.619 1.00 0.00 H new ATOM 0 HA LYS A 21 0.650 0.184 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.893 -0.203 10.008 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.260 1.490 10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.068 1.214 12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.497 -0.432 12.530 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.665 -1.042 11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.235 0.599 11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.362 -1.240 13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.029 -1.013 13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.691 0.517 15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.580 1.466 13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.170 1.000 14.576 1.00 0.00 H new ATOM 335 N ASP A 22 0.796 3.382 10.675 1.00 0.00 N ATOM 336 CA ASP A 22 0.585 4.688 11.300 1.00 0.00 C ATOM 337 C ASP A 22 -0.898 4.939 11.585 1.00 0.00 C ATOM 338 O ASP A 22 -1.242 5.693 12.495 1.00 0.00 O ATOM 339 CB ASP A 22 1.097 5.784 10.368 1.00 0.00 C ATOM 340 CG ASP A 22 2.448 5.382 9.797 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.407 5.349 10.554 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.502 5.108 8.610 1.00 0.00 O ATOM 0 H ASP A 22 0.791 3.393 9.655 1.00 0.00 H new ATOM 0 HA ASP A 22 1.128 4.700 12.245 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.385 5.950 9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.187 6.724 10.912 1.00 0.00 H new ATOM 347 N GLY A 23 -1.774 4.304 10.809 1.00 0.00 N ATOM 348 CA GLY A 23 -3.214 4.465 10.998 1.00 0.00 C ATOM 349 C GLY A 23 -3.702 5.822 10.490 1.00 0.00 C ATOM 350 O GLY A 23 -4.840 6.214 10.752 1.00 0.00 O ATOM 0 H GLY A 23 -1.514 3.677 10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.741 3.669 10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.456 4.364 12.056 1.00 0.00 H new ATOM 354 N ASP A 24 -2.838 6.544 9.786 1.00 0.00 N ATOM 355 CA ASP A 24 -3.208 7.861 9.285 1.00 0.00 C ATOM 356 C ASP A 24 -4.340 7.754 8.272 1.00 0.00 C ATOM 357 O ASP A 24 -5.010 8.744 7.978 1.00 0.00 O ATOM 358 CB ASP A 24 -2.005 8.545 8.631 1.00 0.00 C ATOM 359 CG ASP A 24 -1.607 7.798 7.364 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.920 6.623 7.268 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.988 8.410 6.510 1.00 0.00 O ATOM 0 H ASP A 24 -1.891 6.246 9.552 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.544 8.458 10.133 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.250 9.580 8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.167 8.569 9.327 1.00 0.00 H new ATOM 366 N GLY A 25 -4.558 6.551 7.738 1.00 0.00 N ATOM 367 CA GLY A 25 -5.619 6.334 6.756 1.00 0.00 C ATOM 368 C GLY A 25 -5.043 6.246 5.350 1.00 0.00 C ATOM 369 O GLY A 25 -5.741 5.866 4.409 1.00 0.00 O ATOM 0 H GLY A 25 -4.017 5.717 7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.157 5.416 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.341 7.149 6.808 1.00 0.00 H new ATOM 373 N CYS A 26 -3.767 6.612 5.207 1.00 0.00 N ATOM 374 CA CYS A 26 -3.106 6.581 3.895 1.00 0.00 C ATOM 375 C CYS A 26 -1.759 5.862 3.968 1.00 0.00 C ATOM 376 O CYS A 26 -0.932 6.153 4.838 1.00 0.00 O ATOM 377 CB CYS A 26 -2.885 8.010 3.394 1.00 0.00 C ATOM 378 SG CYS A 26 -4.410 8.962 3.593 1.00 0.00 S ATOM 0 H CYS A 26 -3.174 6.931 5.973 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.753 6.037 3.206 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.075 8.481 3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.586 7.997 2.346 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.222 10.177 3.169 1.00 0.00 H new ATOM 384 N ILE A 27 -1.536 4.930 3.033 1.00 0.00 N ATOM 385 CA ILE A 27 -0.275 4.188 2.982 1.00 0.00 C ATOM 386 C ILE A 27 0.654 4.840 1.963 1.00 0.00 C ATOM 387 O ILE A 27 0.373 4.826 0.766 1.00 0.00 O ATOM 388 CB ILE A 27 -0.515 2.734 2.548 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.428 2.019 3.544 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.823 1.994 2.496 1.00 0.00 C ATOM 391 CD1 ILE A 27 -1.887 0.695 2.934 1.00 0.00 C ATOM 0 H ILE A 27 -2.207 4.675 2.309 1.00 0.00 H new ATOM 0 HA ILE A 27 0.169 4.201 3.977 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.988 2.739 1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.898 1.839 4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.289 2.643 3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.656 0.962 2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.482 2.484 1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.285 2.008 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.539 0.177 3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.431 0.889 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.018 0.073 2.719 1.00 0.00 H new ATOM 403 N THR A 28 1.766 5.397 2.431 1.00 0.00 N ATOM 404 CA THR A 28 2.718 6.030 1.525 1.00 0.00 C ATOM 405 C THR A 28 3.570 4.963 0.851 1.00 0.00 C ATOM 406 O THR A 28 3.574 3.808 1.275 1.00 0.00 O ATOM 407 CB THR A 28 3.620 7.007 2.288 1.00 0.00 C ATOM 408 OG1 THR A 28 4.106 6.386 3.469 1.00 0.00 O ATOM 409 CG2 THR A 28 2.823 8.259 2.655 1.00 0.00 C ATOM 0 H THR A 28 2.028 5.424 3.416 1.00 0.00 H new ATOM 0 HA THR A 28 2.164 6.586 0.769 1.00 0.00 H new ATOM 0 HB THR A 28 4.463 7.288 1.657 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.683 7.012 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.465 8.953 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.458 8.737 1.746 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.977 7.981 3.283 1.00 0.00 H new ATOM 417 N VAL A 29 4.277 5.340 -0.209 1.00 0.00 N ATOM 418 CA VAL A 29 5.105 4.371 -0.921 1.00 0.00 C ATOM 419 C VAL A 29 6.123 3.739 0.023 1.00 0.00 C ATOM 420 O VAL A 29 6.310 2.522 0.018 1.00 0.00 O ATOM 421 CB VAL A 29 5.842 5.045 -2.080 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.470 3.972 -2.974 1.00 0.00 C ATOM 423 CG2 VAL A 29 4.857 5.890 -2.896 1.00 0.00 C ATOM 0 H VAL A 29 4.295 6.287 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 29 4.450 3.594 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 29 6.626 5.692 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.996 4.449 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.174 3.379 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.688 3.323 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.385 6.369 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.069 5.249 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.415 6.654 -2.256 1.00 0.00 H new ATOM 433 N GLU A 30 6.770 4.563 0.839 1.00 0.00 N ATOM 434 CA GLU A 30 7.751 4.054 1.783 1.00 0.00 C ATOM 435 C GLU A 30 7.108 3.004 2.691 1.00 0.00 C ATOM 436 O GLU A 30 7.705 1.965 2.976 1.00 0.00 O ATOM 437 CB GLU A 30 8.299 5.200 2.630 1.00 0.00 C ATOM 438 CG GLU A 30 9.250 6.078 1.800 1.00 0.00 C ATOM 439 CD GLU A 30 8.463 7.077 0.958 1.00 0.00 C ATOM 440 OE1 GLU A 30 7.245 7.004 0.969 1.00 0.00 O ATOM 441 OE2 GLU A 30 9.091 7.904 0.316 1.00 0.00 O ATOM 0 H GLU A 30 6.634 5.574 0.865 1.00 0.00 H new ATOM 0 HA GLU A 30 8.569 3.594 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.476 5.805 3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.827 4.800 3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.932 6.611 2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.861 5.450 1.152 1.00 0.00 H new ATOM 448 N GLU A 31 5.885 3.279 3.131 1.00 0.00 N ATOM 449 CA GLU A 31 5.170 2.349 3.989 1.00 0.00 C ATOM 450 C GLU A 31 4.795 1.090 3.215 1.00 0.00 C ATOM 451 O GLU A 31 4.923 -0.024 3.721 1.00 0.00 O ATOM 452 CB GLU A 31 3.913 3.018 4.517 1.00 0.00 C ATOM 453 CG GLU A 31 4.294 4.157 5.461 1.00 0.00 C ATOM 454 CD GLU A 31 3.043 4.935 5.834 1.00 0.00 C ATOM 455 OE1 GLU A 31 1.976 4.518 5.421 1.00 0.00 O ATOM 456 OE2 GLU A 31 3.166 5.935 6.521 1.00 0.00 O ATOM 0 H GLU A 31 5.373 4.133 2.908 1.00 0.00 H new ATOM 0 HA GLU A 31 5.815 2.067 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.319 3.403 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.295 2.290 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.770 3.759 6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.018 4.816 4.982 1.00 0.00 H new ATOM 463 N LEU A 32 4.350 1.276 1.973 1.00 0.00 N ATOM 464 CA LEU A 32 3.989 0.136 1.139 1.00 0.00 C ATOM 465 C LEU A 32 5.236 -0.708 0.904 1.00 0.00 C ATOM 466 O LEU A 32 5.196 -1.933 1.003 1.00 0.00 O ATOM 467 CB LEU A 32 3.417 0.609 -0.203 1.00 0.00 C ATOM 468 CG LEU A 32 2.998 -0.598 -1.067 1.00 0.00 C ATOM 469 CD1 LEU A 32 1.665 -1.182 -0.578 1.00 0.00 C ATOM 470 CD2 LEU A 32 2.854 -0.145 -2.517 1.00 0.00 C ATOM 0 H LEU A 32 4.233 2.188 1.531 1.00 0.00 H new ATOM 0 HA LEU A 32 3.225 -0.456 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.557 1.256 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.162 1.203 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 32 3.762 -1.371 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.389 -2.032 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.769 -1.510 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.889 -0.419 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.558 -0.992 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.094 0.634 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.807 0.248 -2.872 1.00 0.00 H new ATOM 482 N ALA A 33 6.343 -0.037 0.590 1.00 0.00 N ATOM 483 CA ALA A 33 7.596 -0.738 0.343 1.00 0.00 C ATOM 484 C ALA A 33 7.940 -1.613 1.540 1.00 0.00 C ATOM 485 O ALA A 33 8.372 -2.751 1.388 1.00 0.00 O ATOM 486 CB ALA A 33 8.725 0.265 0.093 1.00 0.00 C ATOM 0 H ALA A 33 6.396 0.978 0.502 1.00 0.00 H new ATOM 0 HA ALA A 33 7.481 -1.365 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.655 -0.273 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.482 0.877 -0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.842 0.906 0.967 1.00 0.00 H new ATOM 492 N THR A 34 7.705 -1.085 2.733 1.00 0.00 N ATOM 493 CA THR A 34 7.960 -1.849 3.946 1.00 0.00 C ATOM 494 C THR A 34 7.047 -3.080 3.988 1.00 0.00 C ATOM 495 O THR A 34 7.494 -4.169 4.342 1.00 0.00 O ATOM 496 CB THR A 34 7.744 -0.968 5.191 1.00 0.00 C ATOM 497 OG1 THR A 34 8.851 -0.087 5.327 1.00 0.00 O ATOM 498 CG2 THR A 34 7.625 -1.834 6.456 1.00 0.00 C ATOM 0 H THR A 34 7.343 -0.144 2.887 1.00 0.00 H new ATOM 0 HA THR A 34 8.997 -2.184 3.943 1.00 0.00 H new ATOM 0 HB THR A 34 6.820 -0.402 5.070 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.723 0.480 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.473 -1.192 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.778 -2.513 6.354 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.539 -2.412 6.588 1.00 0.00 H new ATOM 506 N VAL A 35 5.767 -2.912 3.631 1.00 0.00 N ATOM 507 CA VAL A 35 4.848 -4.050 3.651 1.00 0.00 C ATOM 508 C VAL A 35 5.235 -5.075 2.587 1.00 0.00 C ATOM 509 O VAL A 35 5.350 -6.264 2.877 1.00 0.00 O ATOM 510 CB VAL A 35 3.396 -3.583 3.439 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.487 -4.799 3.213 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.932 -2.829 4.685 1.00 0.00 C ATOM 0 H VAL A 35 5.356 -2.027 3.334 1.00 0.00 H new ATOM 0 HA VAL A 35 4.919 -4.523 4.630 1.00 0.00 H new ATOM 0 HB VAL A 35 3.345 -2.931 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.461 -4.463 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.822 -5.345 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.532 -5.453 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.904 -2.494 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.984 -3.490 5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.577 -1.965 4.849 1.00 0.00 H new ATOM 522 N ILE A 36 5.448 -4.605 1.362 1.00 0.00 N ATOM 523 CA ILE A 36 5.834 -5.492 0.268 1.00 0.00 C ATOM 524 C ILE A 36 7.213 -6.080 0.539 1.00 0.00 C ATOM 525 O ILE A 36 7.451 -7.266 0.309 1.00 0.00 O ATOM 526 CB ILE A 36 5.829 -4.742 -1.072 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.412 -4.183 -1.362 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.272 -5.688 -2.199 1.00 0.00 C ATOM 529 CD1 ILE A 36 3.506 -5.249 -2.005 1.00 0.00 C ATOM 0 H ILE A 36 5.361 -3.623 1.102 1.00 0.00 H new ATOM 0 HA ILE A 36 5.107 -6.302 0.206 1.00 0.00 H new ATOM 0 HB ILE A 36 6.528 -3.907 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.961 -3.832 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.488 -3.321 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.267 -5.151 -3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.279 -6.052 -1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.585 -6.532 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.521 -4.823 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.945 -5.580 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.410 -6.100 -1.330 1.00 0.00 H new ATOM 541 N ARG A 37 8.118 -5.249 1.043 1.00 0.00 N ATOM 542 CA ARG A 37 9.464 -5.704 1.359 1.00 0.00 C ATOM 543 C ARG A 37 9.414 -6.857 2.353 1.00 0.00 C ATOM 544 O ARG A 37 10.161 -7.827 2.231 1.00 0.00 O ATOM 545 CB ARG A 37 10.273 -4.543 1.955 1.00 0.00 C ATOM 546 CG ARG A 37 11.630 -5.040 2.466 1.00 0.00 C ATOM 547 CD ARG A 37 12.452 -3.849 2.949 1.00 0.00 C ATOM 548 NE ARG A 37 11.700 -3.069 3.916 1.00 0.00 N ATOM 549 CZ ARG A 37 12.206 -1.957 4.426 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.397 -1.559 4.065 1.00 0.00 N ATOM 551 NH2 ARG A 37 11.520 -1.265 5.290 1.00 0.00 N ATOM 0 H ARG A 37 7.945 -4.263 1.240 1.00 0.00 H new ATOM 0 HA ARG A 37 9.943 -6.051 0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.423 -3.771 1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.715 -4.086 2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.487 -5.752 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.161 -5.565 1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.381 -4.200 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.726 -3.221 2.101 1.00 0.00 H new ATOM 0 HE ARG A 37 10.773 -3.381 4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.935 -2.105 3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.789 -0.703 4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.592 -1.580 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.910 -0.408 5.683 1.00 0.00 H new ATOM 565 N SER A 38 8.530 -6.742 3.334 1.00 0.00 N ATOM 566 CA SER A 38 8.389 -7.782 4.349 1.00 0.00 C ATOM 567 C SER A 38 7.449 -8.881 3.862 1.00 0.00 C ATOM 568 O SER A 38 7.380 -9.955 4.460 1.00 0.00 O ATOM 569 CB SER A 38 7.843 -7.174 5.649 1.00 0.00 C ATOM 570 OG SER A 38 8.899 -6.518 6.340 1.00 0.00 O ATOM 0 H SER A 38 7.903 -5.946 3.450 1.00 0.00 H new ATOM 0 HA SER A 38 9.370 -8.217 4.537 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.044 -6.467 5.426 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.412 -7.954 6.276 1.00 0.00 H new ATOM 0 HG SER A 38 8.554 -6.127 7.170 1.00 0.00 H new ATOM 576 N LEU A 39 6.709 -8.606 2.792 1.00 0.00 N ATOM 577 CA LEU A 39 5.763 -9.582 2.268 1.00 0.00 C ATOM 578 C LEU A 39 6.459 -10.803 1.665 1.00 0.00 C ATOM 579 O LEU A 39 6.022 -11.924 1.909 1.00 0.00 O ATOM 580 CB LEU A 39 4.875 -8.916 1.208 1.00 0.00 C ATOM 581 CG LEU A 39 3.705 -9.843 0.826 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.555 -9.683 1.826 1.00 0.00 C ATOM 583 CD2 LEU A 39 3.195 -9.497 -0.573 1.00 0.00 C ATOM 0 H LEU A 39 6.746 -7.726 2.277 1.00 0.00 H new ATOM 0 HA LEU A 39 5.157 -9.934 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.489 -7.971 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.467 -8.684 0.323 1.00 0.00 H new ATOM 0 HG LEU A 39 4.063 -10.872 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.734 -10.343 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.903 -9.942 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.208 -8.650 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.368 -10.158 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.851 -8.463 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.001 -9.623 -1.296 1.00 0.00 H new ATOM 595 N ASP A 40 7.533 -10.580 0.887 1.00 0.00 N ATOM 596 CA ASP A 40 8.284 -11.681 0.247 1.00 0.00 C ATOM 597 C ASP A 40 9.008 -11.195 -1.017 1.00 0.00 C ATOM 598 O ASP A 40 9.760 -11.952 -1.632 1.00 0.00 O ATOM 599 CB ASP A 40 7.340 -12.851 -0.126 1.00 0.00 C ATOM 600 CG ASP A 40 7.964 -13.767 -1.182 1.00 0.00 C ATOM 601 OD1 ASP A 40 8.876 -14.499 -0.836 1.00 0.00 O ATOM 602 OD2 ASP A 40 7.519 -13.720 -2.318 1.00 0.00 O ATOM 0 H ASP A 40 7.902 -9.651 0.685 1.00 0.00 H new ATOM 0 HA ASP A 40 9.022 -12.031 0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.108 -13.431 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.397 -12.453 -0.501 1.00 0.00 H new ATOM 607 N GLN A 41 8.792 -9.942 -1.407 1.00 0.00 N ATOM 608 CA GLN A 41 9.442 -9.404 -2.608 1.00 0.00 C ATOM 609 C GLN A 41 9.887 -7.970 -2.360 1.00 0.00 C ATOM 610 O GLN A 41 9.368 -7.303 -1.465 1.00 0.00 O ATOM 611 CB GLN A 41 8.464 -9.439 -3.789 1.00 0.00 C ATOM 612 CG GLN A 41 7.667 -10.744 -3.751 1.00 0.00 C ATOM 613 CD GLN A 41 6.802 -10.870 -5.001 1.00 0.00 C ATOM 614 OE1 GLN A 41 7.290 -10.682 -6.116 1.00 0.00 O ATOM 615 NE2 GLN A 41 5.539 -11.182 -4.883 1.00 0.00 N ATOM 0 H GLN A 41 8.182 -9.285 -0.920 1.00 0.00 H new ATOM 0 HA GLN A 41 10.314 -10.016 -2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.788 -8.586 -3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.009 -9.361 -4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.348 -11.593 -3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.038 -10.769 -2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.136 -11.337 -3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.956 -11.270 -5.715 1.00 0.00 H new ATOM 624 N ASN A 42 10.850 -7.490 -3.150 1.00 0.00 N ATOM 625 CA ASN A 42 11.350 -6.124 -2.992 1.00 0.00 C ATOM 626 C ASN A 42 11.485 -5.432 -4.353 1.00 0.00 C ATOM 627 O ASN A 42 12.595 -5.204 -4.837 1.00 0.00 O ATOM 628 CB ASN A 42 12.718 -6.156 -2.292 1.00 0.00 C ATOM 629 CG ASN A 42 12.732 -7.238 -1.217 1.00 0.00 C ATOM 630 OD1 ASN A 42 12.372 -8.386 -1.482 1.00 0.00 O ATOM 631 ND2 ASN A 42 13.133 -6.940 -0.011 1.00 0.00 N ATOM 0 H ASN A 42 11.295 -8.021 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 42 10.638 -5.562 -2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.504 -6.348 -3.022 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.929 -5.185 -1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.149 -7.658 0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.431 -5.989 0.207 1.00 0.00 H new ATOM 638 N PRO A 43 10.384 -5.085 -4.967 1.00 0.00 N ATOM 639 CA PRO A 43 10.383 -4.390 -6.289 1.00 0.00 C ATOM 640 C PRO A 43 11.036 -3.015 -6.182 1.00 0.00 C ATOM 641 O PRO A 43 11.069 -2.424 -5.102 1.00 0.00 O ATOM 642 CB PRO A 43 8.886 -4.276 -6.657 1.00 0.00 C ATOM 643 CG PRO A 43 8.182 -5.243 -5.754 1.00 0.00 C ATOM 644 CD PRO A 43 9.019 -5.312 -4.479 1.00 0.00 C ATOM 0 HA PRO A 43 10.953 -4.928 -7.046 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.520 -3.260 -6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.719 -4.523 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.168 -4.907 -5.537 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.100 -6.225 -6.221 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.717 -4.553 -3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.923 -6.279 -3.985 1.00 0.00 H new ATOM 652 N THR A 44 11.550 -2.501 -7.295 1.00 0.00 N ATOM 653 CA THR A 44 12.183 -1.192 -7.282 1.00 0.00 C ATOM 654 C THR A 44 11.119 -0.107 -7.401 1.00 0.00 C ATOM 655 O THR A 44 10.022 -0.360 -7.900 1.00 0.00 O ATOM 656 CB THR A 44 13.153 -1.082 -8.460 1.00 0.00 C ATOM 657 OG1 THR A 44 12.505 -1.535 -9.643 1.00 0.00 O ATOM 658 CG2 THR A 44 14.386 -1.948 -8.195 1.00 0.00 C ATOM 0 H THR A 44 11.540 -2.965 -8.203 1.00 0.00 H new ATOM 0 HA THR A 44 12.728 -1.065 -6.347 1.00 0.00 H new ATOM 0 HB THR A 44 13.461 -0.043 -8.581 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.122 -1.465 -10.401 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.075 -1.867 -9.036 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.882 -1.607 -7.286 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.081 -2.988 -8.074 1.00 0.00 H new ATOM 666 N GLU A 45 11.448 1.096 -6.938 1.00 0.00 N ATOM 667 CA GLU A 45 10.502 2.214 -6.999 1.00 0.00 C ATOM 668 C GLU A 45 9.748 2.187 -8.327 1.00 0.00 C ATOM 669 O GLU A 45 8.533 2.384 -8.368 1.00 0.00 O ATOM 670 CB GLU A 45 11.238 3.549 -6.851 1.00 0.00 C ATOM 671 CG GLU A 45 11.794 3.672 -5.430 1.00 0.00 C ATOM 672 CD GLU A 45 12.568 4.978 -5.283 1.00 0.00 C ATOM 673 OE1 GLU A 45 13.293 5.322 -6.202 1.00 0.00 O ATOM 674 OE2 GLU A 45 12.424 5.616 -4.253 1.00 0.00 O ATOM 0 H GLU A 45 12.350 1.324 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 45 9.792 2.112 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.049 3.611 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.559 4.376 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.978 3.640 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.446 2.827 -5.212 1.00 0.00 H new ATOM 681 N GLU A 46 10.482 1.947 -9.410 1.00 0.00 N ATOM 682 CA GLU A 46 9.886 1.900 -10.742 1.00 0.00 C ATOM 683 C GLU A 46 8.669 0.974 -10.752 1.00 0.00 C ATOM 684 O GLU A 46 7.587 1.365 -11.186 1.00 0.00 O ATOM 685 CB GLU A 46 10.928 1.390 -11.765 1.00 0.00 C ATOM 686 CG GLU A 46 12.344 1.692 -11.272 1.00 0.00 C ATOM 687 CD GLU A 46 13.356 1.404 -12.375 1.00 0.00 C ATOM 688 OE1 GLU A 46 12.937 0.990 -13.444 1.00 0.00 O ATOM 689 OE2 GLU A 46 14.536 1.601 -12.135 1.00 0.00 O ATOM 0 H GLU A 46 11.488 1.782 -9.392 1.00 0.00 H new ATOM 0 HA GLU A 46 9.567 2.906 -11.014 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.808 0.317 -11.913 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.762 1.866 -12.732 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.416 2.736 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.569 1.086 -10.394 1.00 0.00 H new ATOM 696 N GLU A 47 8.853 -0.256 -10.273 1.00 0.00 N ATOM 697 CA GLU A 47 7.756 -1.214 -10.241 1.00 0.00 C ATOM 698 C GLU A 47 6.642 -0.705 -9.338 1.00 0.00 C ATOM 699 O GLU A 47 5.464 -0.793 -9.681 1.00 0.00 O ATOM 700 CB GLU A 47 8.265 -2.572 -9.749 1.00 0.00 C ATOM 701 CG GLU A 47 9.149 -3.198 -10.830 1.00 0.00 C ATOM 702 CD GLU A 47 9.845 -4.446 -10.295 1.00 0.00 C ATOM 703 OE1 GLU A 47 10.452 -4.354 -9.241 1.00 0.00 O ATOM 704 OE2 GLU A 47 9.758 -5.474 -10.945 1.00 0.00 O ATOM 0 H GLU A 47 9.739 -0.606 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 47 7.357 -1.333 -11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.831 -2.449 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.425 -3.229 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.543 -3.456 -11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.893 -2.475 -11.164 1.00 0.00 H new ATOM 711 N LEU A 48 7.019 -0.162 -8.187 1.00 0.00 N ATOM 712 CA LEU A 48 6.037 0.368 -7.250 1.00 0.00 C ATOM 713 C LEU A 48 5.270 1.519 -7.900 1.00 0.00 C ATOM 714 O LEU A 48 4.051 1.621 -7.762 1.00 0.00 O ATOM 715 CB LEU A 48 6.752 0.842 -5.955 1.00 0.00 C ATOM 716 CG LEU A 48 6.505 -0.145 -4.803 1.00 0.00 C ATOM 717 CD1 LEU A 48 7.210 -1.463 -5.110 1.00 0.00 C ATOM 718 CD2 LEU A 48 7.063 0.435 -3.499 1.00 0.00 C ATOM 0 H LEU A 48 7.989 -0.077 -7.882 1.00 0.00 H new ATOM 0 HA LEU A 48 5.325 -0.414 -6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.823 0.934 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.390 1.832 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 48 5.434 -0.315 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.037 -2.166 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.817 -1.879 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.280 -1.287 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.887 -0.267 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.134 0.605 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.566 1.380 -3.279 1.00 0.00 H new ATOM 730 N GLN A 49 5.989 2.377 -8.608 1.00 0.00 N ATOM 731 CA GLN A 49 5.351 3.507 -9.268 1.00 0.00 C ATOM 732 C GLN A 49 4.338 3.010 -10.295 1.00 0.00 C ATOM 733 O GLN A 49 3.192 3.461 -10.312 1.00 0.00 O ATOM 734 CB GLN A 49 6.406 4.381 -9.948 1.00 0.00 C ATOM 735 CG GLN A 49 5.735 5.616 -10.553 1.00 0.00 C ATOM 736 CD GLN A 49 6.786 6.530 -11.174 1.00 0.00 C ATOM 737 OE1 GLN A 49 7.690 6.061 -11.865 1.00 0.00 O ATOM 738 NE2 GLN A 49 6.721 7.817 -10.965 1.00 0.00 N ATOM 0 H GLN A 49 6.999 2.315 -8.740 1.00 0.00 H new ATOM 0 HA GLN A 49 4.829 4.104 -8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.164 4.683 -9.225 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.917 3.814 -10.726 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.012 5.313 -11.310 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.183 6.154 -9.782 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.971 8.203 -10.392 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.420 8.436 -11.375 1.00 0.00 H new ATOM 747 N ASP A 50 4.761 2.084 -11.151 1.00 0.00 N ATOM 748 CA ASP A 50 3.872 1.543 -12.176 1.00 0.00 C ATOM 749 C ASP A 50 2.665 0.867 -11.532 1.00 0.00 C ATOM 750 O ASP A 50 1.551 0.947 -12.048 1.00 0.00 O ATOM 751 CB ASP A 50 4.624 0.532 -13.044 1.00 0.00 C ATOM 752 CG ASP A 50 3.809 0.206 -14.292 1.00 0.00 C ATOM 753 OD1 ASP A 50 2.938 0.991 -14.629 1.00 0.00 O ATOM 754 OD2 ASP A 50 4.069 -0.824 -14.894 1.00 0.00 O ATOM 0 H ASP A 50 5.704 1.695 -11.157 1.00 0.00 H new ATOM 0 HA ASP A 50 3.525 2.366 -12.801 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.595 0.937 -13.329 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.813 -0.378 -12.475 1.00 0.00 H new ATOM 759 N MET A 51 2.886 0.234 -10.385 1.00 0.00 N ATOM 760 CA MET A 51 1.790 -0.409 -9.670 1.00 0.00 C ATOM 761 C MET A 51 0.901 0.648 -9.030 1.00 0.00 C ATOM 762 O MET A 51 -0.321 0.590 -9.142 1.00 0.00 O ATOM 763 CB MET A 51 2.325 -1.362 -8.600 1.00 0.00 C ATOM 764 CG MET A 51 2.970 -2.575 -9.275 1.00 0.00 C ATOM 765 SD MET A 51 1.682 -3.583 -10.058 1.00 0.00 S ATOM 766 CE MET A 51 2.529 -3.896 -11.627 1.00 0.00 C ATOM 0 H MET A 51 3.798 0.153 -9.936 1.00 0.00 H new ATOM 0 HA MET A 51 1.204 -0.989 -10.383 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.055 -0.850 -7.974 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.514 -1.684 -7.946 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.695 -2.248 -10.021 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.514 -3.168 -8.540 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.895 -4.511 -12.266 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.735 -2.948 -12.124 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.467 -4.418 -11.436 1.00 0.00 H new ATOM 776 N ILE A 52 1.521 1.630 -8.379 1.00 0.00 N ATOM 777 CA ILE A 52 0.759 2.705 -7.755 1.00 0.00 C ATOM 778 C ILE A 52 0.036 3.517 -8.822 1.00 0.00 C ATOM 779 O ILE A 52 -1.130 3.846 -8.676 1.00 0.00 O ATOM 780 CB ILE A 52 1.684 3.615 -6.935 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.173 2.848 -5.707 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.922 4.862 -6.466 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.325 3.609 -5.046 1.00 0.00 C ATOM 0 H ILE A 52 2.533 1.703 -8.271 1.00 0.00 H new ATOM 0 HA ILE A 52 0.023 2.265 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 52 2.526 3.920 -7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.355 2.719 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.503 1.851 -5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.589 5.499 -5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.557 5.413 -7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.078 4.561 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.670 3.058 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.146 3.715 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.980 4.597 -4.740 1.00 0.00 H new ATOM 795 N SER A 53 0.741 3.834 -9.898 1.00 0.00 N ATOM 796 CA SER A 53 0.140 4.608 -10.978 1.00 0.00 C ATOM 797 C SER A 53 -1.024 3.843 -11.602 1.00 0.00 C ATOM 798 O SER A 53 -2.089 4.406 -11.853 1.00 0.00 O ATOM 799 CB SER A 53 1.184 4.919 -12.045 1.00 0.00 C ATOM 800 OG SER A 53 0.529 5.364 -13.224 1.00 0.00 O ATOM 0 H SER A 53 1.716 3.573 -10.048 1.00 0.00 H new ATOM 0 HA SER A 53 -0.237 5.543 -10.563 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.872 5.685 -11.686 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.779 4.031 -12.258 1.00 0.00 H new ATOM 0 HG SER A 53 1.196 5.567 -13.912 1.00 0.00 H new ATOM 806 N GLU A 54 -0.802 2.560 -11.866 1.00 0.00 N ATOM 807 CA GLU A 54 -1.826 1.720 -12.479 1.00 0.00 C ATOM 808 C GLU A 54 -3.109 1.692 -11.640 1.00 0.00 C ATOM 809 O GLU A 54 -4.202 1.545 -12.187 1.00 0.00 O ATOM 810 CB GLU A 54 -1.291 0.292 -12.653 1.00 0.00 C ATOM 811 CG GLU A 54 -2.337 -0.561 -13.381 1.00 0.00 C ATOM 812 CD GLU A 54 -1.786 -1.957 -13.649 1.00 0.00 C ATOM 813 OE1 GLU A 54 -0.757 -2.286 -13.083 1.00 0.00 O ATOM 814 OE2 GLU A 54 -2.403 -2.677 -14.419 1.00 0.00 O ATOM 0 H GLU A 54 0.075 2.079 -11.666 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.069 2.145 -13.453 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.360 0.308 -13.220 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.064 -0.144 -11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.243 -0.629 -12.779 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.614 -0.085 -14.322 1.00 0.00 H new ATOM 821 N VAL A 55 -2.980 1.806 -10.314 1.00 0.00 N ATOM 822 CA VAL A 55 -4.154 1.765 -9.421 1.00 0.00 C ATOM 823 C VAL A 55 -4.488 3.146 -8.860 1.00 0.00 C ATOM 824 O VAL A 55 -5.632 3.409 -8.489 1.00 0.00 O ATOM 825 CB VAL A 55 -3.884 0.796 -8.265 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.347 -0.503 -8.838 1.00 0.00 C ATOM 827 CG2 VAL A 55 -2.859 1.400 -7.302 1.00 0.00 C ATOM 0 H VAL A 55 -2.088 1.926 -9.835 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.008 1.425 -10.007 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.808 0.609 -7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.149 -1.204 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.083 -0.932 -9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.423 -0.306 -9.381 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.674 0.704 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.927 1.590 -7.835 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.245 2.337 -6.901 1.00 0.00 H new ATOM 837 N ASP A 56 -3.496 4.025 -8.800 1.00 0.00 N ATOM 838 CA ASP A 56 -3.720 5.367 -8.284 1.00 0.00 C ATOM 839 C ASP A 56 -4.319 6.223 -9.390 1.00 0.00 C ATOM 840 O ASP A 56 -3.612 6.770 -10.235 1.00 0.00 O ATOM 841 CB ASP A 56 -2.405 5.967 -7.792 1.00 0.00 C ATOM 842 CG ASP A 56 -2.659 7.317 -7.132 1.00 0.00 C ATOM 843 OD1 ASP A 56 -3.790 7.769 -7.166 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.721 7.869 -6.579 1.00 0.00 O ATOM 0 H ASP A 56 -2.539 3.835 -9.099 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.410 5.330 -7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.931 5.290 -7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.716 6.086 -8.628 1.00 0.00 H new ATOM 849 N ALA A 57 -5.640 6.315 -9.367 1.00 0.00 N ATOM 850 CA ALA A 57 -6.369 7.088 -10.362 1.00 0.00 C ATOM 851 C ALA A 57 -6.050 8.572 -10.234 1.00 0.00 C ATOM 852 O ALA A 57 -6.128 9.321 -11.210 1.00 0.00 O ATOM 853 CB ALA A 57 -7.876 6.868 -10.199 1.00 0.00 C ATOM 0 H ALA A 57 -6.230 5.863 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.059 6.749 -11.351 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.412 7.451 -10.948 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.106 5.810 -10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.185 7.186 -9.203 1.00 0.00 H new ATOM 859 N ASP A 58 -5.713 8.990 -9.014 1.00 0.00 N ATOM 860 CA ASP A 58 -5.403 10.398 -8.736 1.00 0.00 C ATOM 861 C ASP A 58 -3.891 10.660 -8.809 1.00 0.00 C ATOM 862 O ASP A 58 -3.465 11.789 -9.053 1.00 0.00 O ATOM 863 CB ASP A 58 -5.961 10.782 -7.335 1.00 0.00 C ATOM 864 CG ASP A 58 -6.407 9.533 -6.571 1.00 0.00 C ATOM 865 OD1 ASP A 58 -5.551 8.857 -6.031 1.00 0.00 O ATOM 866 OD2 ASP A 58 -7.598 9.270 -6.547 1.00 0.00 O ATOM 0 H ASP A 58 -5.647 8.377 -8.201 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.878 11.018 -9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.196 11.309 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.802 11.466 -7.448 1.00 0.00 H new ATOM 871 N GLY A 59 -3.084 9.624 -8.606 1.00 0.00 N ATOM 872 CA GLY A 59 -1.633 9.789 -8.665 1.00 0.00 C ATOM 873 C GLY A 59 -1.128 10.636 -7.496 1.00 0.00 C ATOM 874 O GLY A 59 -0.194 11.423 -7.653 1.00 0.00 O ATOM 0 H GLY A 59 -3.401 8.676 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.151 8.811 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.355 10.261 -9.607 1.00 0.00 H new ATOM 878 N ASN A 60 -1.758 10.489 -6.331 1.00 0.00 N ATOM 879 CA ASN A 60 -1.362 11.269 -5.157 1.00 0.00 C ATOM 880 C ASN A 60 0.025 10.866 -4.664 1.00 0.00 C ATOM 881 O ASN A 60 0.664 11.609 -3.917 1.00 0.00 O ATOM 882 CB ASN A 60 -2.364 11.064 -4.017 1.00 0.00 C ATOM 883 CG ASN A 60 -3.786 11.255 -4.519 1.00 0.00 C ATOM 884 OD1 ASN A 60 -4.567 10.306 -4.525 1.00 0.00 O ATOM 885 ND2 ASN A 60 -4.171 12.431 -4.933 1.00 0.00 N ATOM 0 H ASN A 60 -2.534 9.846 -6.174 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.344 12.317 -5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.250 10.063 -3.600 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.158 11.770 -3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.126 12.568 -5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.517 13.214 -4.925 1.00 0.00 H new ATOM 892 N GLY A 61 0.485 9.682 -5.069 1.00 0.00 N ATOM 893 CA GLY A 61 1.798 9.183 -4.646 1.00 0.00 C ATOM 894 C GLY A 61 1.644 8.131 -3.551 1.00 0.00 C ATOM 895 O GLY A 61 2.590 7.421 -3.216 1.00 0.00 O ATOM 0 H GLY A 61 -0.027 9.052 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.322 8.754 -5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.407 10.010 -4.281 1.00 0.00 H new ATOM 899 N THR A 62 0.433 8.039 -3.007 1.00 0.00 N ATOM 900 CA THR A 62 0.114 7.076 -1.951 1.00 0.00 C ATOM 901 C THR A 62 -1.087 6.228 -2.364 1.00 0.00 C ATOM 902 O THR A 62 -1.649 6.408 -3.450 1.00 0.00 O ATOM 903 CB THR A 62 -0.202 7.810 -0.641 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.540 8.286 -0.675 1.00 0.00 O ATOM 905 CG2 THR A 62 0.758 8.985 -0.463 1.00 0.00 C ATOM 0 H THR A 62 -0.354 8.627 -3.283 1.00 0.00 H new ATOM 0 HA THR A 62 0.977 6.429 -1.797 1.00 0.00 H new ATOM 0 HB THR A 62 -0.084 7.122 0.196 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.742 8.753 0.162 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.530 9.503 0.468 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.783 8.616 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.647 9.676 -1.299 1.00 0.00 H new ATOM 913 N ILE A 63 -1.483 5.311 -1.481 1.00 0.00 N ATOM 914 CA ILE A 63 -2.626 4.431 -1.749 1.00 0.00 C ATOM 915 C ILE A 63 -3.663 4.584 -0.638 1.00 0.00 C ATOM 916 O ILE A 63 -3.330 4.525 0.546 1.00 0.00 O ATOM 917 CB ILE A 63 -2.160 2.972 -1.821 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.005 2.849 -2.815 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.311 2.098 -2.326 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.396 1.448 -2.713 1.00 0.00 C ATOM 0 H ILE A 63 -1.034 5.157 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.073 4.709 -2.703 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.841 2.653 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.362 3.030 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.247 3.604 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.983 1.060 -2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.156 2.178 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.614 2.433 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.428 1.357 -3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.025 1.285 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.157 0.703 -2.945 1.00 0.00 H new ATOM 932 N GLU A 64 -4.926 4.783 -1.024 1.00 0.00 N ATOM 933 CA GLU A 64 -6.011 4.941 -0.049 1.00 0.00 C ATOM 934 C GLU A 64 -6.802 3.644 0.083 1.00 0.00 C ATOM 935 O GLU A 64 -6.512 2.661 -0.599 1.00 0.00 O ATOM 936 CB GLU A 64 -6.943 6.075 -0.481 1.00 0.00 C ATOM 937 CG GLU A 64 -6.197 7.408 -0.372 1.00 0.00 C ATOM 938 CD GLU A 64 -7.091 8.549 -0.842 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.206 8.271 -1.252 1.00 0.00 O ATOM 940 OE2 GLU A 64 -6.647 9.684 -0.785 1.00 0.00 O ATOM 0 H GLU A 64 -5.223 4.838 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.574 5.185 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.279 5.915 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.833 6.090 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.889 7.578 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.289 7.376 -0.974 1.00 0.00 H new ATOM 947 N PHE A 65 -7.791 3.637 0.976 1.00 0.00 N ATOM 948 CA PHE A 65 -8.594 2.435 1.193 1.00 0.00 C ATOM 949 C PHE A 65 -9.256 1.980 -0.106 1.00 0.00 C ATOM 950 O PHE A 65 -9.153 0.811 -0.479 1.00 0.00 O ATOM 951 CB PHE A 65 -9.666 2.702 2.257 1.00 0.00 C ATOM 952 CG PHE A 65 -10.609 1.517 2.348 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.127 0.272 2.770 1.00 0.00 C ATOM 954 CD2 PHE A 65 -11.960 1.664 2.003 1.00 0.00 C ATOM 955 CE1 PHE A 65 -10.995 -0.826 2.849 1.00 0.00 C ATOM 956 CE2 PHE A 65 -12.828 0.567 2.082 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.346 -0.678 2.504 1.00 0.00 C ATOM 0 H PHE A 65 -8.053 4.437 1.553 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.932 1.642 1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.195 2.878 3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.224 3.604 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.086 0.158 3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.332 2.624 1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.623 -1.786 3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.869 0.682 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.015 -1.524 2.564 1.00 0.00 H new ATOM 967 N ASP A 66 -9.935 2.893 -0.795 1.00 0.00 N ATOM 968 CA ASP A 66 -10.599 2.539 -2.044 1.00 0.00 C ATOM 969 C ASP A 66 -9.589 2.000 -3.049 1.00 0.00 C ATOM 970 O ASP A 66 -9.830 0.986 -3.710 1.00 0.00 O ATOM 971 CB ASP A 66 -11.291 3.773 -2.627 1.00 0.00 C ATOM 972 CG ASP A 66 -10.295 4.923 -2.755 1.00 0.00 C ATOM 973 OD1 ASP A 66 -9.194 4.786 -2.247 1.00 0.00 O ATOM 974 OD2 ASP A 66 -10.648 5.923 -3.358 1.00 0.00 O ATOM 0 H ASP A 66 -10.039 3.868 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.340 1.766 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.712 3.536 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.121 4.070 -1.986 1.00 0.00 H new ATOM 979 N GLU A 67 -8.447 2.666 -3.138 1.00 0.00 N ATOM 980 CA GLU A 67 -7.400 2.228 -4.046 1.00 0.00 C ATOM 981 C GLU A 67 -6.860 0.875 -3.591 1.00 0.00 C ATOM 982 O GLU A 67 -6.614 -0.015 -4.406 1.00 0.00 O ATOM 983 CB GLU A 67 -6.271 3.263 -4.099 1.00 0.00 C ATOM 984 CG GLU A 67 -6.781 4.526 -4.798 1.00 0.00 C ATOM 985 CD GLU A 67 -5.687 5.587 -4.837 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.598 5.309 -4.366 1.00 0.00 O ATOM 987 OE2 GLU A 67 -5.952 6.662 -5.341 1.00 0.00 O ATOM 0 H GLU A 67 -8.224 3.503 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.817 2.126 -5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.932 3.502 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.413 2.857 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.100 4.285 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.654 4.913 -4.273 1.00 0.00 H new ATOM 994 N PHE A 68 -6.701 0.727 -2.279 1.00 0.00 N ATOM 995 CA PHE A 68 -6.213 -0.526 -1.713 1.00 0.00 C ATOM 996 C PHE A 68 -7.185 -1.665 -2.004 1.00 0.00 C ATOM 997 O PHE A 68 -6.775 -2.773 -2.355 1.00 0.00 O ATOM 998 CB PHE A 68 -6.021 -0.386 -0.203 1.00 0.00 C ATOM 999 CG PHE A 68 -5.501 -1.692 0.349 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.170 -2.065 0.124 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.345 -2.527 1.090 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.686 -3.274 0.639 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.861 -3.732 1.605 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.531 -4.107 1.380 1.00 0.00 C ATOM 0 H PHE A 68 -6.901 1.454 -1.592 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.254 -0.757 -2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.320 0.420 0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.966 -0.125 0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.517 -1.421 -0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.371 -2.240 1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.660 -3.563 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.513 -4.375 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.158 -5.039 1.778 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.476 -1.383 -1.860 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.503 -2.388 -2.109 1.00 0.00 C ATOM 1016 C LEU A 69 -9.406 -2.877 -3.546 1.00 0.00 C ATOM 1017 O LEU A 69 -9.553 -4.069 -3.821 1.00 0.00 O ATOM 1018 CB LEU A 69 -10.897 -1.783 -1.869 1.00 0.00 C ATOM 1019 CG LEU A 69 -11.939 -2.907 -1.644 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.064 -3.232 -0.148 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -13.306 -2.457 -2.171 1.00 0.00 C ATOM 0 H LEU A 69 -8.834 -0.472 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.351 -3.226 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.870 -1.123 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.189 -1.173 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.608 -3.797 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.800 -4.024 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.098 -3.563 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.382 -2.341 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.037 -3.250 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.623 -1.559 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.232 -2.241 -3.237 1.00 0.00 H new ATOM 1033 N SER A 70 -9.132 -1.947 -4.454 1.00 0.00 N ATOM 1034 CA SER A 70 -8.983 -2.300 -5.861 1.00 0.00 C ATOM 1035 C SER A 70 -7.787 -3.231 -6.043 1.00 0.00 C ATOM 1036 O SER A 70 -7.866 -4.208 -6.778 1.00 0.00 O ATOM 1037 CB SER A 70 -8.795 -1.054 -6.723 1.00 0.00 C ATOM 1038 OG SER A 70 -9.866 -0.152 -6.488 1.00 0.00 O ATOM 0 H SER A 70 -9.010 -0.956 -4.246 1.00 0.00 H new ATOM 0 HA SER A 70 -9.894 -2.808 -6.179 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.844 -0.576 -6.488 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.761 -1.329 -7.777 1.00 0.00 H new ATOM 0 HG SER A 70 -9.766 0.250 -5.600 1.00 0.00 H new ATOM 1044 N LEU A 71 -6.677 -2.923 -5.364 1.00 0.00 N ATOM 1045 CA LEU A 71 -5.464 -3.741 -5.470 1.00 0.00 C ATOM 1046 C LEU A 71 -5.746 -5.183 -5.059 1.00 0.00 C ATOM 1047 O LEU A 71 -5.300 -6.124 -5.721 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.369 -3.149 -4.552 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.544 -2.081 -5.303 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -2.916 -1.106 -4.298 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.432 -2.753 -6.125 1.00 0.00 C ATOM 0 H LEU A 71 -6.593 -2.120 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.127 -3.736 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.829 -2.705 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.711 -3.945 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.206 -1.535 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.335 -0.355 -4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.704 -0.616 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.262 -1.654 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.857 -1.991 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.773 -3.310 -5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.877 -3.435 -6.849 1.00 0.00 H new ATOM 1063 N MET A 72 -6.500 -5.362 -3.987 1.00 0.00 N ATOM 1064 CA MET A 72 -6.829 -6.706 -3.547 1.00 0.00 C ATOM 1065 C MET A 72 -7.709 -7.409 -4.581 1.00 0.00 C ATOM 1066 O MET A 72 -7.362 -8.482 -5.080 1.00 0.00 O ATOM 1067 CB MET A 72 -7.549 -6.650 -2.203 1.00 0.00 C ATOM 1068 CG MET A 72 -6.562 -6.240 -1.112 1.00 0.00 C ATOM 1069 SD MET A 72 -7.407 -6.263 0.490 1.00 0.00 S ATOM 1070 CE MET A 72 -7.125 -8.009 0.889 1.00 0.00 C ATOM 0 H MET A 72 -6.888 -4.611 -3.416 1.00 0.00 H new ATOM 0 HA MET A 72 -5.904 -7.272 -3.436 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.373 -5.938 -2.249 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.982 -7.623 -1.970 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.712 -6.922 -1.099 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.169 -5.244 -1.316 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.589 -8.243 1.847 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.562 -8.635 0.111 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.054 -8.200 0.949 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.844 -6.791 -4.904 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.765 -7.359 -5.885 1.00 0.00 C ATOM 1082 C ALA A 73 -9.105 -7.440 -7.258 1.00 0.00 C ATOM 1083 O ALA A 73 -9.353 -8.370 -8.019 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.036 -6.506 -5.975 1.00 0.00 C ATOM 0 H ALA A 73 -9.146 -5.903 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.029 -8.366 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.714 -6.940 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.525 -6.478 -5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.773 -5.492 -6.278 1.00 0.00 H new