USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 436 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 39 TYR OH : rot -6:sc= -1.5! USER MOD Set 1.2: A 49 ASN : amide:sc= -5.51! C(o=-7!,f=-6.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.374 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.65 USER MOD Single : A 45 GLN : amide:sc= 0.466 X(o=0.47,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.08) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.481 K(o=-0.48,f=-3.3!) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.512 F(o=-1.4,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 13 -4.714 9.360 3.696 1.00 0.00 N ATOM 133 CA LEU A 13 -4.478 8.294 2.737 1.00 0.00 C ATOM 134 C LEU A 13 -3.048 8.401 2.205 1.00 0.00 C ATOM 135 O LEU A 13 -2.268 7.456 2.315 1.00 0.00 O ATOM 136 CB LEU A 13 -5.545 8.314 1.641 1.00 0.00 C ATOM 137 CG LEU A 13 -5.772 6.993 0.903 1.00 0.00 C ATOM 138 CD1 LEU A 13 -7.058 7.042 0.074 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.555 6.625 0.051 1.00 0.00 C ATOM 0 HA LEU A 13 -4.567 7.320 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.490 8.626 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.272 9.074 0.909 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.897 6.204 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.196 6.091 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.908 7.225 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.987 7.845 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.742 5.682 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.375 7.409 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.680 6.521 0.692 1.00 0.00 H new ATOM 151 N ASP A 14 -2.746 9.561 1.639 1.00 0.00 N ATOM 152 CA ASP A 14 -1.423 9.803 1.089 1.00 0.00 C ATOM 153 C ASP A 14 -0.366 9.422 2.127 1.00 0.00 C ATOM 154 O ASP A 14 0.613 8.751 1.804 1.00 0.00 O ATOM 155 CB ASP A 14 -1.233 11.281 0.742 1.00 0.00 C ATOM 156 CG ASP A 14 0.124 11.633 0.131 1.00 0.00 C ATOM 157 OD1 ASP A 14 0.362 11.194 -1.015 1.00 0.00 O ATOM 158 OD2 ASP A 14 0.894 12.332 0.825 1.00 0.00 O ATOM 0 H ASP A 14 -3.395 10.343 1.550 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.319 9.204 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.016 11.578 0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.371 11.872 1.648 1.00 0.00 H new ATOM 163 N SER A 15 -0.600 9.867 3.353 1.00 0.00 N ATOM 164 CA SER A 15 0.320 9.580 4.441 1.00 0.00 C ATOM 165 C SER A 15 0.690 8.096 4.437 1.00 0.00 C ATOM 166 O SER A 15 1.866 7.745 4.356 1.00 0.00 O ATOM 167 CB SER A 15 -0.284 9.973 5.791 1.00 0.00 C ATOM 168 OG SER A 15 0.608 10.774 6.562 1.00 0.00 O ATOM 0 H SER A 15 -1.413 10.424 3.617 1.00 0.00 H new ATOM 0 HA SER A 15 1.222 10.173 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.213 10.520 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.538 9.073 6.350 1.00 0.00 H new ATOM 0 HG SER A 15 0.185 11.005 7.415 1.00 0.00 H new ATOM 174 N LEU A 16 -0.337 7.263 4.526 1.00 0.00 N ATOM 175 CA LEU A 16 -0.135 5.824 4.533 1.00 0.00 C ATOM 176 C LEU A 16 0.811 5.440 3.394 1.00 0.00 C ATOM 177 O LEU A 16 1.822 4.777 3.618 1.00 0.00 O ATOM 178 CB LEU A 16 -1.479 5.094 4.489 1.00 0.00 C ATOM 179 CG LEU A 16 -2.450 5.406 5.630 1.00 0.00 C ATOM 180 CD1 LEU A 16 -3.860 4.912 5.301 1.00 0.00 C ATOM 181 CD2 LEU A 16 -1.938 4.839 6.956 1.00 0.00 C ATOM 0 H LEU A 16 -1.311 7.557 4.594 1.00 0.00 H new ATOM 0 HA LEU A 16 0.341 5.511 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.969 5.334 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.287 4.021 4.485 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.507 6.489 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.530 5.146 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.216 5.404 4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.840 3.833 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.646 5.075 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.833 3.757 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.970 5.281 7.191 1.00 0.00 H new ATOM 193 N ILE A 17 0.448 5.873 2.195 1.00 0.00 N ATOM 194 CA ILE A 17 1.252 5.583 1.020 1.00 0.00 C ATOM 195 C ILE A 17 2.706 5.970 1.294 1.00 0.00 C ATOM 196 O ILE A 17 3.589 5.113 1.302 1.00 0.00 O ATOM 197 CB ILE A 17 0.658 6.262 -0.216 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.756 5.749 -0.497 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.578 6.097 -1.427 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.399 6.517 -1.654 1.00 0.00 C ATOM 0 H ILE A 17 -0.392 6.422 2.012 1.00 0.00 H new ATOM 0 HA ILE A 17 1.241 4.514 0.805 1.00 0.00 H new ATOM 0 HB ILE A 17 0.579 7.330 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.720 4.686 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.369 5.853 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.133 6.589 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.547 6.548 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.711 5.037 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.403 6.132 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.456 7.576 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.797 6.391 -2.554 1.00 0.00 H new ATOM 212 N SER A 18 2.911 7.261 1.512 1.00 0.00 N ATOM 213 CA SER A 18 4.244 7.771 1.786 1.00 0.00 C ATOM 214 C SER A 18 4.908 6.937 2.884 1.00 0.00 C ATOM 215 O SER A 18 6.018 6.439 2.704 1.00 0.00 O ATOM 216 CB SER A 18 4.196 9.245 2.195 1.00 0.00 C ATOM 217 OG SER A 18 3.902 10.095 1.090 1.00 0.00 O ATOM 0 H SER A 18 2.177 7.969 1.504 1.00 0.00 H new ATOM 0 HA SER A 18 4.834 7.694 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.441 9.382 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.154 9.532 2.629 1.00 0.00 H new ATOM 0 HG SER A 18 3.878 11.027 1.392 1.00 0.00 H new ATOM 223 N GLN A 19 4.201 6.812 3.997 1.00 0.00 N ATOM 224 CA GLN A 19 4.708 6.047 5.124 1.00 0.00 C ATOM 225 C GLN A 19 5.303 4.723 4.642 1.00 0.00 C ATOM 226 O GLN A 19 6.435 4.385 4.986 1.00 0.00 O ATOM 227 CB GLN A 19 3.611 5.809 6.163 1.00 0.00 C ATOM 228 CG GLN A 19 3.256 7.105 6.894 1.00 0.00 C ATOM 229 CD GLN A 19 3.496 6.970 8.399 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.585 7.190 8.903 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.420 6.596 9.086 1.00 0.00 N ATOM 0 H GLN A 19 3.281 7.228 4.143 1.00 0.00 H new ATOM 0 HA GLN A 19 5.498 6.625 5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.723 5.408 5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.943 5.061 6.883 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.855 7.925 6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.211 7.356 6.710 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.538 6.428 8.601 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.477 6.477 10.097 1.00 0.00 H new ATOM 240 N VAL A 20 4.515 4.009 3.852 1.00 0.00 N ATOM 241 CA VAL A 20 4.950 2.729 3.319 1.00 0.00 C ATOM 242 C VAL A 20 6.096 2.956 2.331 1.00 0.00 C ATOM 243 O VAL A 20 7.160 2.352 2.459 1.00 0.00 O ATOM 244 CB VAL A 20 3.763 1.990 2.698 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.221 0.710 1.996 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.695 1.686 3.751 1.00 0.00 C ATOM 0 H VAL A 20 3.577 4.293 3.568 1.00 0.00 H new ATOM 0 HA VAL A 20 5.330 2.092 4.118 1.00 0.00 H new ATOM 0 HB VAL A 20 3.317 2.643 1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.358 0.204 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.928 0.962 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.703 0.052 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.862 1.160 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.124 1.062 4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.337 2.619 4.186 1.00 0.00 H new ATOM 256 N LYS A 21 5.839 3.828 1.367 1.00 0.00 N ATOM 257 CA LYS A 21 6.836 4.142 0.357 1.00 0.00 C ATOM 258 C LYS A 21 8.181 4.404 1.038 1.00 0.00 C ATOM 259 O LYS A 21 9.200 3.838 0.646 1.00 0.00 O ATOM 260 CB LYS A 21 6.359 5.297 -0.525 1.00 0.00 C ATOM 261 CG LYS A 21 6.391 4.907 -2.004 1.00 0.00 C ATOM 262 CD LYS A 21 7.087 5.983 -2.840 1.00 0.00 C ATOM 263 CE LYS A 21 7.364 5.482 -4.259 1.00 0.00 C ATOM 264 NZ LYS A 21 7.346 6.608 -5.220 1.00 0.00 N ATOM 0 H LYS A 21 4.955 4.327 1.264 1.00 0.00 H new ATOM 0 HA LYS A 21 6.978 3.295 -0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.345 5.581 -0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.992 6.169 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.911 3.957 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.374 4.761 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.464 6.876 -2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.024 6.270 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.333 4.984 -4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.615 4.742 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.536 6.250 -6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.413 7.066 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.077 7.300 -4.958 1.00 0.00 H new ATOM 278 N ASP A 22 8.140 5.261 2.048 1.00 0.00 N ATOM 279 CA ASP A 22 9.342 5.604 2.787 1.00 0.00 C ATOM 280 C ASP A 22 10.111 4.325 3.125 1.00 0.00 C ATOM 281 O ASP A 22 11.333 4.349 3.265 1.00 0.00 O ATOM 282 CB ASP A 22 8.999 6.311 4.100 1.00 0.00 C ATOM 283 CG ASP A 22 8.355 7.690 3.944 1.00 0.00 C ATOM 284 OD1 ASP A 22 7.874 7.968 2.824 1.00 0.00 O ATOM 285 OD2 ASP A 22 8.359 8.435 4.948 1.00 0.00 O ATOM 0 H ASP A 22 7.293 5.728 2.371 1.00 0.00 H new ATOM 0 HA ASP A 22 9.941 6.269 2.165 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.324 5.674 4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.911 6.417 4.687 1.00 0.00 H new ATOM 290 N LEU A 23 9.363 3.239 3.247 1.00 0.00 N ATOM 291 CA LEU A 23 9.958 1.952 3.566 1.00 0.00 C ATOM 292 C LEU A 23 10.104 1.130 2.284 1.00 0.00 C ATOM 293 O LEU A 23 10.994 0.288 2.180 1.00 0.00 O ATOM 294 CB LEU A 23 9.155 1.246 4.661 1.00 0.00 C ATOM 295 CG LEU A 23 9.278 1.834 6.068 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.394 3.072 6.225 1.00 0.00 C ATOM 297 CD2 LEU A 23 8.978 0.776 7.132 1.00 0.00 C ATOM 0 H LEU A 23 8.350 3.223 3.131 1.00 0.00 H new ATOM 0 HA LEU A 23 10.960 2.087 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.103 1.255 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.467 0.202 4.697 1.00 0.00 H new ATOM 0 HG LEU A 23 10.309 2.155 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.501 3.470 7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.697 3.830 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.353 2.800 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.072 1.220 8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.963 0.402 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.684 -0.048 7.035 1.00 0.00 H new ATOM 309 N LEU A 24 9.216 1.404 1.339 1.00 0.00 N ATOM 310 CA LEU A 24 9.235 0.701 0.068 1.00 0.00 C ATOM 311 C LEU A 24 9.155 1.717 -1.073 1.00 0.00 C ATOM 312 O LEU A 24 8.135 1.813 -1.753 1.00 0.00 O ATOM 313 CB LEU A 24 8.133 -0.359 0.026 1.00 0.00 C ATOM 314 CG LEU A 24 8.237 -1.477 1.065 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.020 -2.402 1.000 1.00 0.00 C ATOM 316 CD2 LEU A 24 9.551 -2.247 0.912 1.00 0.00 C ATOM 0 H LEU A 24 8.479 2.103 1.429 1.00 0.00 H new ATOM 0 HA LEU A 24 10.172 0.158 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.172 0.139 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.129 -0.811 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 24 8.243 -1.023 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.120 -3.188 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.115 -1.827 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.957 -2.851 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.600 -3.036 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.600 -2.689 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.390 -1.565 1.048 1.00 0.00 H new ATOM 328 N PRO A 25 10.274 2.468 -1.253 1.00 0.00 N ATOM 329 CA PRO A 25 10.340 3.473 -2.300 1.00 0.00 C ATOM 330 C PRO A 25 10.514 2.823 -3.674 1.00 0.00 C ATOM 331 O PRO A 25 9.925 3.271 -4.656 1.00 0.00 O ATOM 332 CB PRO A 25 11.507 4.367 -1.914 1.00 0.00 C ATOM 333 CG PRO A 25 12.338 3.565 -0.925 1.00 0.00 C ATOM 334 CD PRO A 25 11.502 2.381 -0.467 1.00 0.00 C ATOM 0 HA PRO A 25 9.421 4.054 -2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.097 4.639 -2.789 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.155 5.296 -1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.262 3.223 -1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.621 4.184 -0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.020 1.438 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.293 2.434 0.601 1.00 0.00 H new ATOM 342 N ASP A 26 11.326 1.776 -3.700 1.00 0.00 N ATOM 343 CA ASP A 26 11.585 1.060 -4.937 1.00 0.00 C ATOM 344 C ASP A 26 10.263 0.818 -5.667 1.00 0.00 C ATOM 345 O ASP A 26 10.138 1.128 -6.851 1.00 0.00 O ATOM 346 CB ASP A 26 12.228 -0.301 -4.661 1.00 0.00 C ATOM 347 CG ASP A 26 13.692 -0.246 -4.219 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.276 0.854 -4.324 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.194 -1.306 -3.786 1.00 0.00 O ATOM 0 H ASP A 26 11.813 1.407 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 26 12.263 1.664 -5.541 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.650 -0.810 -3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.159 -0.908 -5.563 1.00 0.00 H new ATOM 354 N LEU A 27 9.309 0.266 -4.932 1.00 0.00 N ATOM 355 CA LEU A 27 8.001 -0.021 -5.495 1.00 0.00 C ATOM 356 C LEU A 27 7.344 1.287 -5.941 1.00 0.00 C ATOM 357 O LEU A 27 7.818 2.371 -5.602 1.00 0.00 O ATOM 358 CB LEU A 27 7.157 -0.826 -4.505 1.00 0.00 C ATOM 359 CG LEU A 27 7.605 -2.268 -4.260 1.00 0.00 C ATOM 360 CD1 LEU A 27 6.924 -2.851 -3.020 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.372 -3.134 -5.501 1.00 0.00 C ATOM 0 H LEU A 27 9.416 0.010 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 27 8.097 -0.648 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.153 -0.300 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.128 -0.842 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 27 8.678 -2.263 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.260 -3.877 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.183 -2.252 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.843 -2.840 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.699 -4.154 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.311 -3.136 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.940 -2.730 -6.339 1.00 0.00 H new ATOM 373 N GLY A 28 6.264 1.143 -6.693 1.00 0.00 N ATOM 374 CA GLY A 28 5.537 2.300 -7.189 1.00 0.00 C ATOM 375 C GLY A 28 4.269 2.544 -6.369 1.00 0.00 C ATOM 376 O GLY A 28 3.591 1.597 -5.971 1.00 0.00 O ATOM 0 H GLY A 28 5.874 0.243 -6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.177 3.181 -7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.274 2.147 -8.236 1.00 0.00 H new ATOM 380 N GLU A 29 3.986 3.818 -6.141 1.00 0.00 N ATOM 381 CA GLU A 29 2.811 4.198 -5.375 1.00 0.00 C ATOM 382 C GLU A 29 1.584 3.426 -5.867 1.00 0.00 C ATOM 383 O GLU A 29 0.881 2.801 -5.074 1.00 0.00 O ATOM 384 CB GLU A 29 2.573 5.707 -5.448 1.00 0.00 C ATOM 385 CG GLU A 29 3.257 6.427 -4.284 1.00 0.00 C ATOM 386 CD GLU A 29 2.666 7.823 -4.079 1.00 0.00 C ATOM 387 OE1 GLU A 29 1.420 7.920 -4.095 1.00 0.00 O ATOM 388 OE2 GLU A 29 3.474 8.762 -3.911 1.00 0.00 O ATOM 0 H GLU A 29 4.550 4.600 -6.473 1.00 0.00 H new ATOM 0 HA GLU A 29 2.984 3.940 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.954 6.093 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.503 5.911 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.142 5.842 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.327 6.506 -4.479 1.00 0.00 H new ATOM 395 N GLY A 30 1.366 3.494 -7.172 1.00 0.00 N ATOM 396 CA GLY A 30 0.237 2.809 -7.778 1.00 0.00 C ATOM 397 C GLY A 30 0.040 1.423 -7.161 1.00 0.00 C ATOM 398 O GLY A 30 -1.089 1.011 -6.898 1.00 0.00 O ATOM 0 H GLY A 30 1.952 4.013 -7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.667 3.402 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.399 2.713 -8.852 1.00 0.00 H new ATOM 402 N PHE A 31 1.156 0.742 -6.947 1.00 0.00 N ATOM 403 CA PHE A 31 1.121 -0.589 -6.366 1.00 0.00 C ATOM 404 C PHE A 31 0.998 -0.519 -4.842 1.00 0.00 C ATOM 405 O PHE A 31 0.413 -1.405 -4.222 1.00 0.00 O ATOM 406 CB PHE A 31 2.442 -1.271 -6.728 1.00 0.00 C ATOM 407 CG PHE A 31 2.656 -2.619 -6.038 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.138 -3.752 -6.583 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.364 -2.685 -4.879 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.337 -5.004 -5.942 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.563 -3.936 -4.238 1.00 0.00 C ATOM 412 CZ PHE A 31 3.045 -5.069 -4.783 1.00 0.00 C ATOM 0 H PHE A 31 2.091 1.087 -7.166 1.00 0.00 H new ATOM 0 HA PHE A 31 0.261 -1.139 -6.749 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.480 -1.417 -7.808 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.266 -0.606 -6.467 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.575 -3.700 -7.503 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.775 -1.785 -4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.926 -5.904 -6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.126 -3.988 -3.318 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.196 -6.021 -4.295 1.00 0.00 H new ATOM 422 N ILE A 32 1.559 0.544 -4.284 1.00 0.00 N ATOM 423 CA ILE A 32 1.519 0.741 -2.845 1.00 0.00 C ATOM 424 C ILE A 32 0.097 1.114 -2.424 1.00 0.00 C ATOM 425 O ILE A 32 -0.354 0.738 -1.344 1.00 0.00 O ATOM 426 CB ILE A 32 2.575 1.762 -2.415 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.979 1.296 -2.805 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.467 2.067 -0.920 1.00 0.00 C ATOM 429 CD1 ILE A 32 5.010 2.400 -2.565 1.00 0.00 C ATOM 0 H ILE A 32 2.043 1.277 -4.802 1.00 0.00 H new ATOM 0 HA ILE A 32 1.772 -0.184 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 32 2.385 2.694 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.246 0.412 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.991 1.005 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.229 2.795 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.479 2.474 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.616 1.150 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.999 2.042 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.753 3.274 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.013 2.672 -1.509 1.00 0.00 H new ATOM 441 N LEU A 33 -0.572 1.850 -3.301 1.00 0.00 N ATOM 442 CA LEU A 33 -1.934 2.278 -3.034 1.00 0.00 C ATOM 443 C LEU A 33 -2.869 1.070 -3.118 1.00 0.00 C ATOM 444 O LEU A 33 -3.640 0.812 -2.195 1.00 0.00 O ATOM 445 CB LEU A 33 -2.327 3.427 -3.965 1.00 0.00 C ATOM 446 CG LEU A 33 -3.800 3.840 -3.935 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.658 2.873 -4.752 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.302 3.977 -2.496 1.00 0.00 C ATOM 0 H LEU A 33 -0.195 2.160 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.017 2.676 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.721 4.297 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.070 3.145 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.889 4.821 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.700 3.190 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.317 2.870 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.569 1.869 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.351 4.271 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.197 3.022 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.716 4.735 -1.977 1.00 0.00 H new ATOM 460 N ALA A 34 -2.771 0.363 -4.234 1.00 0.00 N ATOM 461 CA ALA A 34 -3.598 -0.812 -4.451 1.00 0.00 C ATOM 462 C ALA A 34 -3.545 -1.704 -3.210 1.00 0.00 C ATOM 463 O ALA A 34 -4.581 -2.051 -2.645 1.00 0.00 O ATOM 464 CB ALA A 34 -3.132 -1.539 -5.714 1.00 0.00 C ATOM 0 H ALA A 34 -2.131 0.581 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.638 -0.526 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.753 -2.420 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.219 -0.871 -6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.092 -1.844 -5.595 1.00 0.00 H new ATOM 470 N CYS A 35 -2.326 -2.051 -2.822 1.00 0.00 N ATOM 471 CA CYS A 35 -2.124 -2.897 -1.658 1.00 0.00 C ATOM 472 C CYS A 35 -2.887 -2.286 -0.481 1.00 0.00 C ATOM 473 O CYS A 35 -3.785 -2.916 0.075 1.00 0.00 O ATOM 474 CB CYS A 35 -0.638 -3.078 -1.342 1.00 0.00 C ATOM 475 SG CYS A 35 0.033 -4.500 -2.280 1.00 0.00 S ATOM 0 H CYS A 35 -1.469 -1.762 -3.293 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.510 -3.896 -1.860 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.090 -2.171 -1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.502 -3.240 -0.273 1.00 0.00 H new ATOM 0 HG CYS A 35 1.296 -4.643 -2.006 1.00 0.00 H new ATOM 481 N LEU A 36 -2.503 -1.066 -0.138 1.00 0.00 N ATOM 482 CA LEU A 36 -3.140 -0.362 0.963 1.00 0.00 C ATOM 483 C LEU A 36 -4.655 -0.559 0.879 1.00 0.00 C ATOM 484 O LEU A 36 -5.262 -1.122 1.789 1.00 0.00 O ATOM 485 CB LEU A 36 -2.710 1.106 0.980 1.00 0.00 C ATOM 486 CG LEU A 36 -1.382 1.409 1.676 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.745 2.681 1.114 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.562 1.480 3.194 1.00 0.00 C ATOM 0 H LEU A 36 -1.759 -0.546 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.817 -0.775 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.646 1.457 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.493 1.688 1.466 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.695 0.588 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.198 2.873 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.559 2.554 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.419 3.524 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.603 1.697 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.273 2.269 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.939 0.525 3.561 1.00 0.00 H new ATOM 500 N GLU A 37 -5.221 -0.085 -0.220 1.00 0.00 N ATOM 501 CA GLU A 37 -6.654 -0.202 -0.434 1.00 0.00 C ATOM 502 C GLU A 37 -7.138 -1.597 -0.036 1.00 0.00 C ATOM 503 O GLU A 37 -8.022 -1.734 0.808 1.00 0.00 O ATOM 504 CB GLU A 37 -7.018 0.111 -1.887 1.00 0.00 C ATOM 505 CG GLU A 37 -7.265 1.609 -2.080 1.00 0.00 C ATOM 506 CD GLU A 37 -8.551 1.855 -2.872 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.622 1.490 -2.342 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.433 2.403 -3.989 1.00 0.00 O ATOM 0 H GLU A 37 -4.714 0.381 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.157 0.530 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.214 -0.216 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.910 -0.448 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.333 2.098 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.420 2.056 -2.604 1.00 0.00 H new ATOM 515 N TYR A 38 -6.537 -2.599 -0.662 1.00 0.00 N ATOM 516 CA TYR A 38 -6.895 -3.979 -0.384 1.00 0.00 C ATOM 517 C TYR A 38 -6.855 -4.263 1.119 1.00 0.00 C ATOM 518 O TYR A 38 -7.782 -4.857 1.667 1.00 0.00 O ATOM 519 CB TYR A 38 -5.839 -4.838 -1.082 1.00 0.00 C ATOM 520 CG TYR A 38 -6.184 -6.328 -1.132 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.988 -7.119 -0.018 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.689 -6.880 -2.291 1.00 0.00 C ATOM 523 CE1 TYR A 38 -6.312 -8.522 -0.066 1.00 0.00 C ATOM 524 CE2 TYR A 38 -7.013 -8.283 -2.339 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.809 -9.034 -1.224 1.00 0.00 C ATOM 526 OH TYR A 38 -7.115 -10.359 -1.269 1.00 0.00 O ATOM 0 H TYR A 38 -5.804 -2.482 -1.361 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.905 -4.192 -0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.703 -4.473 -2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.886 -4.713 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.592 -6.687 0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.841 -6.260 -3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.164 -9.153 0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.409 -8.728 -3.240 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.461 -10.585 -2.158 1.00 0.00 H new ATOM 536 N TYR A 39 -5.772 -3.825 1.743 1.00 0.00 N ATOM 537 CA TYR A 39 -5.598 -4.025 3.172 1.00 0.00 C ATOM 538 C TYR A 39 -6.236 -2.883 3.966 1.00 0.00 C ATOM 539 O TYR A 39 -5.666 -2.414 4.951 1.00 0.00 O ATOM 540 CB TYR A 39 -4.088 -4.021 3.418 1.00 0.00 C ATOM 541 CG TYR A 39 -3.356 -5.219 2.811 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.541 -6.481 3.339 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.509 -5.038 1.737 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.852 -7.609 2.768 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.819 -6.166 1.165 1.00 0.00 C ATOM 546 CZ TYR A 39 -2.025 -7.396 1.709 1.00 0.00 C ATOM 547 OH TYR A 39 -1.373 -8.461 1.170 1.00 0.00 O ATOM 0 H TYR A 39 -5.005 -3.332 1.285 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.070 -4.954 3.490 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.666 -3.104 3.007 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.905 -4.003 4.492 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.203 -6.622 4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.363 -4.050 1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.989 -8.602 3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.154 -6.038 0.324 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.538 -9.257 1.717 1.00 0.00 H new ATOM 557 N HIS A 40 -7.409 -2.470 3.510 1.00 0.00 N ATOM 558 CA HIS A 40 -8.130 -1.392 4.166 1.00 0.00 C ATOM 559 C HIS A 40 -7.146 -0.300 4.590 1.00 0.00 C ATOM 560 O HIS A 40 -7.061 0.041 5.768 1.00 0.00 O ATOM 561 CB HIS A 40 -8.961 -1.927 5.333 1.00 0.00 C ATOM 562 CG HIS A 40 -10.232 -2.626 4.913 1.00 0.00 C ATOM 563 ND1 HIS A 40 -11.205 -3.018 5.815 1.00 0.00 N ATOM 564 CD2 HIS A 40 -10.679 -2.997 3.679 1.00 0.00 C ATOM 565 CE1 HIS A 40 -12.189 -3.599 5.143 1.00 0.00 C ATOM 566 NE2 HIS A 40 -11.860 -3.585 3.820 1.00 0.00 N ATOM 0 H HIS A 40 -7.879 -2.862 2.694 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.837 -0.944 3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.351 -2.621 5.912 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.216 -1.099 5.994 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.160 -2.839 2.745 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.092 -4.011 5.569 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.429 -3.964 3.063 1.00 0.00 H new ATOM 574 N TYR A 41 -6.426 0.218 3.605 1.00 0.00 N ATOM 575 CA TYR A 41 -5.452 1.265 3.861 1.00 0.00 C ATOM 576 C TYR A 41 -4.640 0.962 5.123 1.00 0.00 C ATOM 577 O TYR A 41 -4.616 1.762 6.056 1.00 0.00 O ATOM 578 CB TYR A 41 -6.257 2.546 4.083 1.00 0.00 C ATOM 579 CG TYR A 41 -6.939 3.079 2.821 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.176 3.504 1.752 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.316 3.134 2.752 1.00 0.00 C ATOM 582 CE1 TYR A 41 -6.818 4.005 0.564 1.00 0.00 C ATOM 583 CE2 TYR A 41 -8.958 3.636 1.564 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.177 4.046 0.529 1.00 0.00 C ATOM 585 OH TYR A 41 -8.783 4.519 -0.593 1.00 0.00 O ATOM 0 H TYR A 41 -6.498 -0.068 2.629 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.753 1.350 3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.016 2.359 4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.594 3.316 4.478 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.098 3.461 1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.912 2.801 3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.233 4.341 -0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.035 3.686 1.497 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.756 4.489 -0.477 1.00 0.00 H new ATOM 595 N ASP A 42 -3.996 -0.196 5.109 1.00 0.00 N ATOM 596 CA ASP A 42 -3.186 -0.614 6.241 1.00 0.00 C ATOM 597 C ASP A 42 -1.716 -0.665 5.819 1.00 0.00 C ATOM 598 O ASP A 42 -1.359 -1.381 4.885 1.00 0.00 O ATOM 599 CB ASP A 42 -3.589 -2.010 6.720 1.00 0.00 C ATOM 600 CG ASP A 42 -2.908 -2.473 8.010 1.00 0.00 C ATOM 601 OD1 ASP A 42 -1.665 -2.352 8.070 1.00 0.00 O ATOM 602 OD2 ASP A 42 -3.645 -2.937 8.906 1.00 0.00 O ATOM 0 H ASP A 42 -4.019 -0.857 4.333 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.338 0.102 7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.668 -2.029 6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.364 -2.727 5.931 1.00 0.00 H new ATOM 607 N PRO A 43 -0.882 0.124 6.547 1.00 0.00 N ATOM 608 CA PRO A 43 0.541 0.176 6.258 1.00 0.00 C ATOM 609 C PRO A 43 1.248 -1.087 6.754 1.00 0.00 C ATOM 610 O PRO A 43 1.848 -1.817 5.967 1.00 0.00 O ATOM 611 CB PRO A 43 1.036 1.441 6.941 1.00 0.00 C ATOM 612 CG PRO A 43 -0.024 1.800 7.970 1.00 0.00 C ATOM 613 CD PRO A 43 -1.270 0.986 7.660 1.00 0.00 C ATOM 0 HA PRO A 43 0.752 0.208 5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.002 1.275 7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.170 2.248 6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.333 1.583 8.977 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.246 2.867 7.933 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.585 0.400 8.523 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.107 1.630 7.389 1.00 0.00 H new ATOM 621 N GLU A 44 1.153 -1.306 8.058 1.00 0.00 N ATOM 622 CA GLU A 44 1.775 -2.469 8.668 1.00 0.00 C ATOM 623 C GLU A 44 1.472 -3.725 7.849 1.00 0.00 C ATOM 624 O GLU A 44 2.387 -4.421 7.411 1.00 0.00 O ATOM 625 CB GLU A 44 1.319 -2.636 10.119 1.00 0.00 C ATOM 626 CG GLU A 44 2.418 -3.278 10.969 1.00 0.00 C ATOM 627 CD GLU A 44 1.826 -4.270 11.972 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.369 -3.797 13.035 1.00 0.00 O ATOM 629 OE2 GLU A 44 1.845 -5.478 11.654 1.00 0.00 O ATOM 0 H GLU A 44 0.655 -0.698 8.708 1.00 0.00 H new ATOM 0 HA GLU A 44 2.854 -2.317 8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.054 -1.664 10.535 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.421 -3.253 10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.130 -3.791 10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.971 -2.503 11.501 1.00 0.00 H new ATOM 636 N GLN A 45 0.184 -3.977 7.667 1.00 0.00 N ATOM 637 CA GLN A 45 -0.251 -5.137 6.908 1.00 0.00 C ATOM 638 C GLN A 45 0.523 -5.231 5.592 1.00 0.00 C ATOM 639 O GLN A 45 1.239 -6.203 5.357 1.00 0.00 O ATOM 640 CB GLN A 45 -1.759 -5.093 6.656 1.00 0.00 C ATOM 641 CG GLN A 45 -2.533 -5.625 7.863 1.00 0.00 C ATOM 642 CD GLN A 45 -3.937 -6.080 7.458 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.162 -7.214 7.070 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.865 -5.134 7.570 1.00 0.00 N ATOM 0 H GLN A 45 -0.572 -3.398 8.032 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.040 -6.031 7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.066 -4.069 6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.001 -5.686 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.991 -6.459 8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.604 -4.849 8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.608 -4.204 7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.834 -5.338 7.324 1.00 0.00 H new ATOM 653 N VAL A 46 0.352 -4.208 4.767 1.00 0.00 N ATOM 654 CA VAL A 46 1.026 -4.163 3.481 1.00 0.00 C ATOM 655 C VAL A 46 2.466 -4.653 3.646 1.00 0.00 C ATOM 656 O VAL A 46 2.826 -5.715 3.141 1.00 0.00 O ATOM 657 CB VAL A 46 0.937 -2.754 2.893 1.00 0.00 C ATOM 658 CG1 VAL A 46 1.776 -2.638 1.618 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.517 -2.359 2.630 1.00 0.00 C ATOM 0 H VAL A 46 -0.244 -3.404 4.965 1.00 0.00 H new ATOM 0 HA VAL A 46 0.537 -4.829 2.770 1.00 0.00 H new ATOM 0 HB VAL A 46 1.344 -2.059 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.695 -1.626 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.819 -2.855 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.412 -3.349 0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.551 -1.353 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.963 -3.060 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.075 -2.382 3.566 1.00 0.00 H new ATOM 669 N ILE A 47 3.250 -3.855 4.355 1.00 0.00 N ATOM 670 CA ILE A 47 4.643 -4.194 4.594 1.00 0.00 C ATOM 671 C ILE A 47 4.736 -5.644 5.073 1.00 0.00 C ATOM 672 O ILE A 47 5.481 -6.442 4.507 1.00 0.00 O ATOM 673 CB ILE A 47 5.283 -3.187 5.552 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.381 -1.803 4.908 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.642 -3.687 6.045 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.631 -0.724 5.963 1.00 0.00 C ATOM 0 H ILE A 47 2.948 -2.975 4.772 1.00 0.00 H new ATOM 0 HA ILE A 47 5.215 -4.127 3.669 1.00 0.00 H new ATOM 0 HB ILE A 47 4.639 -3.090 6.426 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.189 -1.795 4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.460 -1.583 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.075 -2.953 6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.513 -4.634 6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.307 -3.831 5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.697 0.250 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.810 -0.718 6.680 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.565 -0.934 6.484 1.00 0.00 H new ATOM 688 N ASN A 48 3.968 -5.941 6.111 1.00 0.00 N ATOM 689 CA ASN A 48 3.954 -7.281 6.673 1.00 0.00 C ATOM 690 C ASN A 48 3.893 -8.304 5.537 1.00 0.00 C ATOM 691 O ASN A 48 4.794 -9.128 5.390 1.00 0.00 O ATOM 692 CB ASN A 48 2.730 -7.491 7.566 1.00 0.00 C ATOM 693 CG ASN A 48 3.125 -7.508 9.044 1.00 0.00 C ATOM 694 OD1 ASN A 48 3.218 -8.548 9.676 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.352 -6.303 9.557 1.00 0.00 N ATOM 0 H ASN A 48 3.351 -5.276 6.578 1.00 0.00 H new ATOM 0 HA ASN A 48 4.859 -7.408 7.267 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.006 -6.696 7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.242 -8.430 7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.622 -6.208 10.536 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.256 -5.473 8.972 1.00 0.00 H new ATOM 702 N ASN A 49 2.821 -8.219 4.764 1.00 0.00 N ATOM 703 CA ASN A 49 2.630 -9.127 3.646 1.00 0.00 C ATOM 704 C ASN A 49 3.919 -9.197 2.825 1.00 0.00 C ATOM 705 O ASN A 49 4.589 -10.228 2.799 1.00 0.00 O ATOM 706 CB ASN A 49 1.509 -8.641 2.726 1.00 0.00 C ATOM 707 CG ASN A 49 0.135 -8.980 3.309 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.396 -10.063 3.126 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.408 -7.995 4.019 1.00 0.00 N ATOM 0 H ASN A 49 2.075 -7.535 4.890 1.00 0.00 H new ATOM 0 HA ASN A 49 2.367 -10.105 4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.592 -7.563 2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.615 -9.101 1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.324 -8.122 4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.091 -7.113 4.133 1.00 0.00 H new ATOM 716 N ILE A 50 4.228 -8.085 2.173 1.00 0.00 N ATOM 717 CA ILE A 50 5.425 -8.006 1.354 1.00 0.00 C ATOM 718 C ILE A 50 6.582 -8.695 2.080 1.00 0.00 C ATOM 719 O ILE A 50 7.309 -9.489 1.485 1.00 0.00 O ATOM 720 CB ILE A 50 5.718 -6.554 0.970 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.583 -5.971 0.126 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.073 -6.434 0.270 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.459 -4.461 0.342 1.00 0.00 C ATOM 0 H ILE A 50 3.670 -7.232 2.196 1.00 0.00 H new ATOM 0 HA ILE A 50 5.277 -8.537 0.413 1.00 0.00 H new ATOM 0 HB ILE A 50 5.775 -5.964 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.766 -6.177 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.643 -6.458 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.256 -5.392 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.860 -6.784 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.070 -7.041 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.645 -4.072 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.252 -4.260 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.392 -3.975 0.057 1.00 0.00 H new ATOM 735 N LEU A 51 6.717 -8.366 3.357 1.00 0.00 N ATOM 736 CA LEU A 51 7.773 -8.944 4.171 1.00 0.00 C ATOM 737 C LEU A 51 7.652 -10.469 4.149 1.00 0.00 C ATOM 738 O LEU A 51 8.636 -11.170 3.918 1.00 0.00 O ATOM 739 CB LEU A 51 7.752 -8.345 5.579 1.00 0.00 C ATOM 740 CG LEU A 51 8.792 -7.259 5.861 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.484 -6.533 7.172 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.208 -7.839 5.847 1.00 0.00 C ATOM 0 H LEU A 51 6.113 -7.707 3.848 1.00 0.00 H new ATOM 0 HA LEU A 51 8.751 -8.696 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.762 -7.928 5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.894 -9.152 6.298 1.00 0.00 H new ATOM 0 HG LEU A 51 8.739 -6.519 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.238 -5.766 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.501 -6.067 7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.493 -7.248 7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.928 -7.046 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.293 -8.611 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.413 -8.274 4.869 1.00 0.00 H new ATOM 754 N GLU A 52 6.437 -10.938 4.391 1.00 0.00 N ATOM 755 CA GLU A 52 6.175 -12.367 4.403 1.00 0.00 C ATOM 756 C GLU A 52 5.790 -12.846 3.002 1.00 0.00 C ATOM 757 O GLU A 52 5.193 -13.911 2.849 1.00 0.00 O ATOM 758 CB GLU A 52 5.087 -12.717 5.420 1.00 0.00 C ATOM 759 CG GLU A 52 5.521 -12.340 6.838 1.00 0.00 C ATOM 760 CD GLU A 52 5.770 -13.589 7.686 1.00 0.00 C ATOM 761 OE1 GLU A 52 6.868 -14.167 7.536 1.00 0.00 O ATOM 762 OE2 GLU A 52 4.856 -13.939 8.463 1.00 0.00 O ATOM 0 H GLU A 52 5.623 -10.354 4.580 1.00 0.00 H new ATOM 0 HA GLU A 52 7.087 -12.882 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.165 -12.193 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.870 -13.784 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.429 -11.738 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.752 -11.726 7.306 1.00 0.00 H new ATOM 769 N GLU A 53 6.147 -12.038 2.015 1.00 0.00 N ATOM 770 CA GLU A 53 5.846 -12.366 0.632 1.00 0.00 C ATOM 771 C GLU A 53 4.458 -13.002 0.527 1.00 0.00 C ATOM 772 O GLU A 53 4.256 -13.934 -0.250 1.00 0.00 O ATOM 773 CB GLU A 53 6.917 -13.286 0.042 1.00 0.00 C ATOM 774 CG GLU A 53 7.960 -12.484 -0.738 1.00 0.00 C ATOM 775 CD GLU A 53 9.179 -12.176 0.134 1.00 0.00 C ATOM 776 OE1 GLU A 53 8.969 -11.580 1.212 1.00 0.00 O ATOM 777 OE2 GLU A 53 10.293 -12.544 -0.298 1.00 0.00 O ATOM 0 H GLU A 53 6.642 -11.156 2.146 1.00 0.00 H new ATOM 0 HA GLU A 53 5.846 -11.443 0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.405 -13.842 0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.450 -14.019 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.271 -13.045 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.518 -11.553 -1.093 1.00 0.00 H new ATOM 784 N ARG A 54 3.538 -12.473 1.320 1.00 0.00 N ATOM 785 CA ARG A 54 2.176 -12.977 1.326 1.00 0.00 C ATOM 786 C ARG A 54 1.266 -12.059 0.507 1.00 0.00 C ATOM 787 O ARG A 54 0.054 -12.035 0.713 1.00 0.00 O ATOM 788 CB ARG A 54 1.633 -13.080 2.753 1.00 0.00 C ATOM 789 CG ARG A 54 2.379 -14.154 3.548 1.00 0.00 C ATOM 790 CD ARG A 54 1.402 -15.042 4.321 1.00 0.00 C ATOM 791 NE ARG A 54 0.392 -15.607 3.398 1.00 0.00 N ATOM 792 CZ ARG A 54 0.570 -16.728 2.686 1.00 0.00 C ATOM 793 NH1 ARG A 54 1.718 -17.411 2.787 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.402 -17.166 1.873 1.00 0.00 N ATOM 0 H ARG A 54 3.710 -11.700 1.963 1.00 0.00 H new ATOM 0 HA ARG A 54 2.189 -13.972 0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.732 -12.117 3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.569 -13.316 2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.974 -14.766 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.073 -13.681 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.944 -15.847 4.817 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.909 -14.462 5.101 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.494 -15.112 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.457 -17.078 3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.853 -18.264 2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.276 -16.646 1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.267 -18.019 1.331 1.00 0.00 H new ATOM 808 N LEU A 55 1.887 -11.325 -0.405 1.00 0.00 N ATOM 809 CA LEU A 55 1.149 -10.408 -1.257 1.00 0.00 C ATOM 810 C LEU A 55 0.106 -11.190 -2.058 1.00 0.00 C ATOM 811 O LEU A 55 0.438 -12.162 -2.733 1.00 0.00 O ATOM 812 CB LEU A 55 2.109 -9.594 -2.126 1.00 0.00 C ATOM 813 CG LEU A 55 2.703 -8.342 -1.478 1.00 0.00 C ATOM 814 CD1 LEU A 55 3.569 -7.568 -2.474 1.00 0.00 C ATOM 815 CD2 LEU A 55 1.606 -7.465 -0.871 1.00 0.00 C ATOM 0 H LEU A 55 2.893 -11.347 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 55 0.607 -9.680 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.929 -10.243 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.582 -9.295 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 55 3.353 -8.656 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.979 -6.683 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.385 -8.204 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.961 -7.265 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.056 -6.582 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.912 -7.157 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.068 -8.030 -0.110 1.00 0.00 H new ATOM 827 N ALA A 56 -1.135 -10.735 -1.956 1.00 0.00 N ATOM 828 CA ALA A 56 -2.228 -11.380 -2.662 1.00 0.00 C ATOM 829 C ALA A 56 -1.828 -11.598 -4.123 1.00 0.00 C ATOM 830 O ALA A 56 -0.815 -11.070 -4.578 1.00 0.00 O ATOM 831 CB ALA A 56 -3.495 -10.533 -2.525 1.00 0.00 C ATOM 0 H ALA A 56 -1.407 -9.928 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.441 -12.357 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.315 -11.017 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.753 -10.432 -1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.320 -9.545 -2.952 1.00 0.00 H new ATOM 837 N PRO A 57 -2.666 -12.398 -4.835 1.00 0.00 N ATOM 838 CA PRO A 57 -2.410 -12.693 -6.235 1.00 0.00 C ATOM 839 C PRO A 57 -2.749 -11.491 -7.119 1.00 0.00 C ATOM 840 O PRO A 57 -1.997 -11.156 -8.033 1.00 0.00 O ATOM 841 CB PRO A 57 -3.260 -13.915 -6.542 1.00 0.00 C ATOM 842 CG PRO A 57 -4.309 -13.979 -5.444 1.00 0.00 C ATOM 843 CD PRO A 57 -3.875 -13.041 -4.329 1.00 0.00 C ATOM 0 HA PRO A 57 -1.358 -12.896 -6.437 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.727 -13.830 -7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.653 -14.820 -6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.285 -13.686 -5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.407 -14.998 -5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.649 -12.307 -4.105 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.677 -13.587 -3.407 1.00 0.00 H new ATOM 851 N THR A 58 -3.882 -10.875 -6.816 1.00 0.00 N ATOM 852 CA THR A 58 -4.330 -9.717 -7.572 1.00 0.00 C ATOM 853 C THR A 58 -3.327 -8.570 -7.434 1.00 0.00 C ATOM 854 O THR A 58 -3.027 -7.883 -8.409 1.00 0.00 O ATOM 855 CB THR A 58 -5.737 -9.355 -7.093 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.581 -10.297 -7.751 1.00 0.00 O ATOM 857 CG2 THR A 58 -6.206 -7.999 -7.624 1.00 0.00 C ATOM 0 H THR A 58 -4.503 -11.156 -6.057 1.00 0.00 H new ATOM 0 HA THR A 58 -4.381 -9.936 -8.639 1.00 0.00 H new ATOM 0 HB THR A 58 -5.758 -9.344 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.513 -10.136 -7.495 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.210 -7.791 -7.254 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.525 -7.219 -7.283 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.218 -8.019 -8.714 1.00 0.00 H new ATOM 865 N LEU A 59 -2.837 -8.398 -6.215 1.00 0.00 N ATOM 866 CA LEU A 59 -1.874 -7.345 -5.937 1.00 0.00 C ATOM 867 C LEU A 59 -0.509 -7.748 -6.498 1.00 0.00 C ATOM 868 O LEU A 59 0.150 -6.954 -7.168 1.00 0.00 O ATOM 869 CB LEU A 59 -1.854 -7.019 -4.443 1.00 0.00 C ATOM 870 CG LEU A 59 -3.220 -6.859 -3.772 1.00 0.00 C ATOM 871 CD1 LEU A 59 -3.070 -6.673 -2.261 1.00 0.00 C ATOM 872 CD2 LEU A 59 -4.015 -5.720 -4.414 1.00 0.00 C ATOM 0 H LEU A 59 -3.089 -8.970 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.164 -6.421 -6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.308 -7.809 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.291 -6.097 -4.300 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.788 -7.776 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.055 -6.562 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.571 -7.544 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.476 -5.781 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.982 -5.627 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.462 -4.786 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.168 -5.934 -5.472 1.00 0.00 H new ATOM 884 N SER A 60 -0.124 -8.981 -6.203 1.00 0.00 N ATOM 885 CA SER A 60 1.151 -9.499 -6.670 1.00 0.00 C ATOM 886 C SER A 60 1.224 -9.415 -8.195 1.00 0.00 C ATOM 887 O SER A 60 2.307 -9.482 -8.773 1.00 0.00 O ATOM 888 CB SER A 60 1.362 -10.942 -6.207 1.00 0.00 C ATOM 889 OG SER A 60 2.535 -11.518 -6.774 1.00 0.00 O ATOM 0 H SER A 60 -0.673 -9.636 -5.646 1.00 0.00 H new ATOM 0 HA SER A 60 1.945 -8.888 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.435 -10.967 -5.120 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.494 -11.542 -6.482 1.00 0.00 H new ATOM 0 HG SER A 60 2.635 -12.438 -6.453 1.00 0.00 H new ATOM 895 N GLN A 61 0.056 -9.269 -8.804 1.00 0.00 N ATOM 896 CA GLN A 61 -0.026 -9.174 -10.252 1.00 0.00 C ATOM 897 C GLN A 61 0.264 -7.743 -10.708 1.00 0.00 C ATOM 898 O GLN A 61 0.959 -7.533 -11.701 1.00 0.00 O ATOM 899 CB GLN A 61 -1.393 -9.644 -10.755 1.00 0.00 C ATOM 900 CG GLN A 61 -1.457 -11.171 -10.825 1.00 0.00 C ATOM 901 CD GLN A 61 -0.778 -11.691 -12.094 1.00 0.00 C ATOM 902 OE1 GLN A 61 0.391 -11.450 -12.347 1.00 0.00 O ATOM 903 NE2 GLN A 61 -1.575 -12.415 -12.875 1.00 0.00 N ATOM 0 H GLN A 61 -0.841 -9.214 -8.321 1.00 0.00 H new ATOM 0 HA GLN A 61 0.729 -9.831 -10.683 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.175 -9.274 -10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.586 -9.223 -11.742 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.973 -11.599 -9.948 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.497 -11.496 -10.806 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.544 -12.578 -12.603 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.217 -12.807 -13.746 1.00 0.00 H new ATOM 912 N LEU A 62 -0.284 -6.796 -9.961 1.00 0.00 N ATOM 913 CA LEU A 62 -0.092 -5.390 -10.276 1.00 0.00 C ATOM 914 C LEU A 62 1.403 -5.104 -10.423 1.00 0.00 C ATOM 915 O LEU A 62 2.223 -5.689 -9.717 1.00 0.00 O ATOM 916 CB LEU A 62 -0.788 -4.509 -9.238 1.00 0.00 C ATOM 917 CG LEU A 62 -2.230 -4.889 -8.892 1.00 0.00 C ATOM 918 CD1 LEU A 62 -2.859 -3.857 -7.955 1.00 0.00 C ATOM 919 CD2 LEU A 62 -3.061 -5.094 -10.160 1.00 0.00 C ATOM 0 H LEU A 62 -0.861 -6.974 -9.139 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.558 -5.146 -11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.199 -4.528 -8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.781 -3.481 -9.600 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.215 -5.840 -8.359 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.883 -4.151 -7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.281 -3.803 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.862 -2.880 -8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.081 -5.363 -9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.072 -4.172 -10.741 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.622 -5.893 -10.757 1.00 0.00 H new ATOM 931 N ASP A 63 1.713 -4.204 -11.344 1.00 0.00 N ATOM 932 CA ASP A 63 3.096 -3.832 -11.592 1.00 0.00 C ATOM 933 C ASP A 63 3.735 -3.357 -10.286 1.00 0.00 C ATOM 934 O ASP A 63 3.165 -2.527 -9.579 1.00 0.00 O ATOM 935 CB ASP A 63 3.186 -2.690 -12.606 1.00 0.00 C ATOM 936 CG ASP A 63 4.374 -2.771 -13.568 1.00 0.00 C ATOM 937 OD1 ASP A 63 5.496 -2.998 -13.066 1.00 0.00 O ATOM 938 OD2 ASP A 63 4.132 -2.603 -14.783 1.00 0.00 O ATOM 0 H ASP A 63 1.030 -3.721 -11.928 1.00 0.00 H new ATOM 0 HA ASP A 63 3.614 -4.706 -11.987 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.266 -2.669 -13.190 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.241 -1.746 -12.064 1.00 0.00 H new ATOM 943 N ARG A 64 4.908 -3.904 -10.005 1.00 0.00 N ATOM 944 CA ARG A 64 5.630 -3.546 -8.795 1.00 0.00 C ATOM 945 C ARG A 64 5.940 -2.048 -8.786 1.00 0.00 C ATOM 946 O ARG A 64 5.972 -1.424 -7.726 1.00 0.00 O ATOM 947 CB ARG A 64 6.938 -4.331 -8.682 1.00 0.00 C ATOM 948 CG ARG A 64 6.667 -5.822 -8.470 1.00 0.00 C ATOM 949 CD ARG A 64 7.562 -6.390 -7.367 1.00 0.00 C ATOM 950 NE ARG A 64 7.939 -7.784 -7.689 1.00 0.00 N ATOM 951 CZ ARG A 64 8.862 -8.121 -8.601 1.00 0.00 C ATOM 952 NH1 ARG A 64 9.507 -7.167 -9.285 1.00 0.00 N ATOM 953 NH2 ARG A 64 9.140 -9.412 -8.827 1.00 0.00 N ATOM 0 H ARG A 64 5.377 -4.592 -10.594 1.00 0.00 H new ATOM 0 HA ARG A 64 4.996 -3.795 -7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.530 -4.190 -9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.528 -3.943 -7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.620 -5.971 -8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.842 -6.363 -9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.457 -5.777 -7.262 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.040 -6.357 -6.411 1.00 0.00 H new ATOM 0 HE ARG A 64 7.467 -8.535 -7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.296 -6.184 -9.112 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.209 -7.423 -9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.649 -10.138 -8.305 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.842 -9.669 -9.521 1.00 0.00 H new ATOM 967 N ASN A 65 6.159 -1.514 -9.978 1.00 0.00 N ATOM 968 CA ASN A 65 6.465 -0.100 -10.121 1.00 0.00 C ATOM 969 C ASN A 65 5.281 0.609 -10.782 1.00 0.00 C ATOM 970 O ASN A 65 5.455 1.329 -11.764 1.00 0.00 O ATOM 971 CB ASN A 65 7.696 0.111 -11.004 1.00 0.00 C ATOM 972 CG ASN A 65 7.523 -0.578 -12.359 1.00 0.00 C ATOM 973 OD1 ASN A 65 7.868 -1.863 -12.361 1.00 0.00 O flip ATOM 974 ND2 ASN A 65 7.104 0.017 -13.338 1.00 0.00 N flip ATOM 0 H ASN A 65 6.131 -2.035 -10.855 1.00 0.00 H new ATOM 0 HA ASN A 65 6.661 0.305 -9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.863 1.178 -11.153 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.580 -0.283 -10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.857 1.004 -13.268 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.001 -0.473 -14.227 1.00 0.00 H new ATOM 981 N LEU A 66 4.105 0.381 -10.216 1.00 0.00 N ATOM 982 CA LEU A 66 2.893 0.990 -10.739 1.00 0.00 C ATOM 983 C LEU A 66 2.846 2.461 -10.322 1.00 0.00 C ATOM 984 O LEU A 66 3.024 2.783 -9.148 1.00 0.00 O ATOM 985 CB LEU A 66 1.663 0.188 -10.308 1.00 0.00 C ATOM 986 CG LEU A 66 0.377 0.461 -11.092 1.00 0.00 C ATOM 987 CD1 LEU A 66 0.218 -0.532 -12.245 1.00 0.00 C ATOM 988 CD2 LEU A 66 -0.840 0.463 -10.165 1.00 0.00 C ATOM 0 H LEU A 66 3.965 -0.216 -9.401 1.00 0.00 H new ATOM 0 HA LEU A 66 2.894 0.968 -11.829 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.898 -0.873 -10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.473 0.390 -9.254 1.00 0.00 H new ATOM 0 HG LEU A 66 0.448 1.456 -11.531 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.703 -0.317 -12.786 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.067 -0.441 -12.923 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.177 -1.546 -11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.740 0.659 -10.747 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.928 -0.508 -9.677 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.720 1.239 -9.409 1.00 0.00 H new ATOM 1000 N ASP A 67 2.604 3.314 -11.306 1.00 0.00 N ATOM 1001 CA ASP A 67 2.531 4.744 -11.056 1.00 0.00 C ATOM 1002 C ASP A 67 1.132 5.097 -10.546 1.00 0.00 C ATOM 1003 O ASP A 67 0.223 4.271 -10.595 1.00 0.00 O ATOM 1004 CB ASP A 67 2.782 5.541 -12.338 1.00 0.00 C ATOM 1005 CG ASP A 67 2.655 7.058 -12.191 1.00 0.00 C ATOM 1006 OD1 ASP A 67 3.478 7.627 -11.442 1.00 0.00 O ATOM 1007 OD2 ASP A 67 1.737 7.615 -12.830 1.00 0.00 O ATOM 0 H ASP A 67 2.456 3.043 -12.278 1.00 0.00 H new ATOM 0 HA ASP A 67 3.293 4.997 -10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.783 5.309 -12.702 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.079 5.205 -13.100 1.00 0.00 H new