USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 438 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 18 GLN : amide:sc= -3.15! C(o=-11!,f=-9.4!) USER MOD Set 1.2: A 37 GLN : amide:sc= -4.37! K(o=-11!,f=-4.6) USER MOD Set 1.3: A 41 GLN : amide:sc= -3.23! K(o=-11!,f=-4.6) USER MOD Set 2.1: A 31 MET CE :methyl -107:sc= -2.27 (180deg=-2.48) USER MOD Set 2.2: A 39 CYS SG : rot 68:sc= -0.603 USER MOD Set 3.1: A 28 GLN : amide:sc= -1.47! K(o=-5.2!,f=-4.5) USER MOD Set 3.2: A 47 TYR OH : rot 84:sc= -3.71! USER MOD Single : A 15 SER OG : rot 180:sc= -0.0612 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 21 MET CE :methyl -150:sc= -4.06! (180deg=-6.15!) USER MOD Single : A 23 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.9!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0802 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 100:sc= -1.33 USER MOD Single : A 32 ASN : amide:sc= -2.47! C(o=-2.5!,f=-5!) USER MOD Single : A 36 SER OG : rot -94:sc= 0.0226 USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0567) USER MOD Single : A 43 ASN : amide:sc= -3.25! C(o=-3.2!,f=-6.2!) USER MOD Single : A 44 ASN : amide:sc= -1.88! C(o=-1.9!,f=-1.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 71:sc= 0.364 USER MOD Single : A 52 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.7!) USER MOD Single : A 55 THR OG1 : rot -53:sc= 0.365 USER MOD Single : A 56 HIS : no HD1:sc= -0.846 X(o=-0.85,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 130:sc= -0.135 (180deg=-0.692) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 14 16.015 0.919 1.877 1.00 0.00 N ATOM 161 CA LEU A 14 14.898 1.753 2.308 1.00 0.00 C ATOM 162 C LEU A 14 15.349 2.755 3.370 1.00 0.00 C ATOM 163 O LEU A 14 16.457 2.662 3.898 1.00 0.00 O ATOM 164 CB LEU A 14 13.761 0.876 2.842 1.00 0.00 C ATOM 165 CG LEU A 14 12.465 1.613 3.199 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.954 2.436 2.027 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.400 0.629 3.638 1.00 0.00 C ATOM 0 HA LEU A 14 14.532 2.314 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.531 0.116 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.116 0.353 3.730 1.00 0.00 H new ATOM 0 HG LEU A 14 12.688 2.292 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.034 2.946 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.705 3.174 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.756 1.779 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.487 1.169 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.197 -0.073 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.749 0.082 4.514 1.00 0.00 H new ATOM 179 N SER A 15 14.483 3.716 3.667 1.00 0.00 N ATOM 180 CA SER A 15 14.772 4.752 4.651 1.00 0.00 C ATOM 181 C SER A 15 13.474 5.167 5.333 1.00 0.00 C ATOM 182 O SER A 15 12.456 4.518 5.140 1.00 0.00 O ATOM 183 CB SER A 15 15.430 5.945 3.951 1.00 0.00 C ATOM 184 OG SER A 15 15.961 5.570 2.692 1.00 0.00 O ATOM 0 H SER A 15 13.563 3.799 3.234 1.00 0.00 H new ATOM 0 HA SER A 15 15.459 4.375 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.698 6.741 3.817 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.225 6.346 4.580 1.00 0.00 H new ATOM 0 HG SER A 15 16.374 6.350 2.266 1.00 0.00 H new ATOM 190 N PRO A 16 13.478 6.240 6.143 1.00 0.00 N ATOM 191 CA PRO A 16 12.266 6.702 6.829 1.00 0.00 C ATOM 192 C PRO A 16 11.077 6.818 5.876 1.00 0.00 C ATOM 193 O PRO A 16 9.925 6.739 6.297 1.00 0.00 O ATOM 194 CB PRO A 16 12.672 8.075 7.365 1.00 0.00 C ATOM 195 CG PRO A 16 14.147 7.974 7.557 1.00 0.00 C ATOM 196 CD PRO A 16 14.647 7.078 6.463 1.00 0.00 C ATOM 0 HA PRO A 16 11.937 6.011 7.605 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.416 8.868 6.662 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.164 8.303 8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.616 8.956 7.501 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.385 7.562 8.538 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.980 7.650 5.597 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.494 6.476 6.793 1.00 0.00 H new ATOM 204 N GLU A 17 11.370 6.985 4.585 1.00 0.00 N ATOM 205 CA GLU A 17 10.355 7.091 3.544 1.00 0.00 C ATOM 206 C GLU A 17 9.217 6.107 3.774 1.00 0.00 C ATOM 207 O GLU A 17 8.068 6.353 3.405 1.00 0.00 O ATOM 208 CB GLU A 17 11.064 6.841 2.192 1.00 0.00 C ATOM 209 CG GLU A 17 10.524 5.700 1.302 1.00 0.00 C ATOM 210 CD GLU A 17 10.645 6.020 -0.174 1.00 0.00 C ATOM 211 OE1 GLU A 17 10.247 7.133 -0.576 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.140 5.156 -0.930 1.00 0.00 O ATOM 0 H GLU A 17 12.325 7.050 4.234 1.00 0.00 H new ATOM 0 HA GLU A 17 9.898 8.081 3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.023 7.765 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.115 6.639 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.071 4.782 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.478 5.514 1.547 1.00 0.00 H new ATOM 219 N GLN A 18 9.571 4.983 4.349 1.00 0.00 N ATOM 220 CA GLN A 18 8.637 3.921 4.606 1.00 0.00 C ATOM 221 C GLN A 18 7.509 4.356 5.499 1.00 0.00 C ATOM 222 O GLN A 18 6.359 4.341 5.109 1.00 0.00 O ATOM 223 CB GLN A 18 9.363 2.748 5.244 1.00 0.00 C ATOM 224 CG GLN A 18 8.703 1.432 4.945 1.00 0.00 C ATOM 225 CD GLN A 18 9.075 0.342 5.932 1.00 0.00 C ATOM 226 OE1 GLN A 18 9.792 -0.599 5.594 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.586 0.465 7.160 1.00 0.00 N ATOM 0 H GLN A 18 10.523 4.781 4.653 1.00 0.00 H new ATOM 0 HA GLN A 18 8.205 3.627 3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.392 2.724 4.887 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.404 2.894 6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.621 1.565 4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.980 1.114 3.940 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.995 1.262 7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.801 -0.238 7.867 1.00 0.00 H new ATOM 236 N GLN A 19 7.842 4.715 6.704 1.00 0.00 N ATOM 237 CA GLN A 19 6.825 5.126 7.656 1.00 0.00 C ATOM 238 C GLN A 19 6.208 6.456 7.259 1.00 0.00 C ATOM 239 O GLN A 19 5.093 6.777 7.673 1.00 0.00 O ATOM 240 CB GLN A 19 7.398 5.200 9.072 1.00 0.00 C ATOM 241 CG GLN A 19 7.005 4.022 9.949 1.00 0.00 C ATOM 242 CD GLN A 19 8.147 3.540 10.823 1.00 0.00 C ATOM 243 OE1 GLN A 19 9.231 3.226 10.331 1.00 0.00 O ATOM 244 NE2 GLN A 19 7.908 3.479 12.128 1.00 0.00 N ATOM 0 H GLN A 19 8.798 4.735 7.059 1.00 0.00 H new ATOM 0 HA GLN A 19 6.038 4.372 7.645 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.485 5.252 9.013 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.060 6.123 9.544 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.164 4.309 10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.664 3.201 9.318 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.994 3.749 12.492 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.638 3.162 12.766 1.00 0.00 H new ATOM 253 N GLU A 20 6.911 7.217 6.433 1.00 0.00 N ATOM 254 CA GLU A 20 6.387 8.485 5.973 1.00 0.00 C ATOM 255 C GLU A 20 5.174 8.226 5.096 1.00 0.00 C ATOM 256 O GLU A 20 4.254 9.041 5.024 1.00 0.00 O ATOM 257 CB GLU A 20 7.451 9.261 5.194 1.00 0.00 C ATOM 258 CG GLU A 20 7.161 10.749 5.084 1.00 0.00 C ATOM 259 CD GLU A 20 8.419 11.577 4.913 1.00 0.00 C ATOM 260 OE1 GLU A 20 8.972 11.593 3.793 1.00 0.00 O ATOM 261 OE2 GLU A 20 8.852 12.210 5.899 1.00 0.00 O ATOM 0 H GLU A 20 7.835 6.978 6.073 1.00 0.00 H new ATOM 0 HA GLU A 20 6.097 9.089 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.417 9.123 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.534 8.841 4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.497 10.924 4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.632 11.079 5.978 1.00 0.00 H new ATOM 268 N MET A 21 5.188 7.078 4.418 1.00 0.00 N ATOM 269 CA MET A 21 4.108 6.700 3.534 1.00 0.00 C ATOM 270 C MET A 21 3.190 5.663 4.159 1.00 0.00 C ATOM 271 O MET A 21 2.040 5.958 4.432 1.00 0.00 O ATOM 272 CB MET A 21 4.709 6.176 2.244 1.00 0.00 C ATOM 273 CG MET A 21 5.272 7.291 1.396 1.00 0.00 C ATOM 274 SD MET A 21 5.408 6.872 -0.348 1.00 0.00 S ATOM 275 CE MET A 21 5.881 8.464 -1.020 1.00 0.00 C ATOM 0 H MET A 21 5.945 6.396 4.471 1.00 0.00 H new ATOM 0 HA MET A 21 3.491 7.577 3.337 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.498 5.460 2.475 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.947 5.639 1.679 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.638 8.171 1.501 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.258 7.561 1.774 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.508 8.554 -2.040 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.456 9.259 -0.407 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.968 8.550 -1.022 1.00 0.00 H new ATOM 285 N LEU A 22 3.715 4.455 4.362 1.00 0.00 N ATOM 286 CA LEU A 22 2.973 3.323 4.940 1.00 0.00 C ATOM 287 C LEU A 22 1.794 3.757 5.814 1.00 0.00 C ATOM 288 O LEU A 22 0.707 3.189 5.725 1.00 0.00 O ATOM 289 CB LEU A 22 3.922 2.452 5.769 1.00 0.00 C ATOM 290 CG LEU A 22 4.293 1.105 5.148 1.00 0.00 C ATOM 291 CD1 LEU A 22 4.988 0.226 6.177 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.057 0.410 4.597 1.00 0.00 C ATOM 0 H LEU A 22 4.681 4.227 4.128 1.00 0.00 H new ATOM 0 HA LEU A 22 2.562 2.759 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.839 3.014 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.464 2.270 6.741 1.00 0.00 H new ATOM 0 HG LEU A 22 4.980 1.281 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.247 -0.730 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.895 0.720 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.320 0.057 7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.342 -0.547 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.344 0.242 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.598 1.036 3.832 1.00 0.00 H new ATOM 304 N GLN A 23 2.017 4.758 6.656 1.00 0.00 N ATOM 305 CA GLN A 23 0.965 5.251 7.537 1.00 0.00 C ATOM 306 C GLN A 23 -0.202 5.804 6.728 1.00 0.00 C ATOM 307 O GLN A 23 -1.331 5.326 6.840 1.00 0.00 O ATOM 308 CB GLN A 23 1.509 6.333 8.471 1.00 0.00 C ATOM 309 CG GLN A 23 0.433 7.006 9.309 1.00 0.00 C ATOM 310 CD GLN A 23 0.597 6.740 10.792 1.00 0.00 C ATOM 311 OE1 GLN A 23 1.293 5.807 11.194 1.00 0.00 O ATOM 312 NE2 GLN A 23 -0.045 7.561 11.615 1.00 0.00 N ATOM 0 H GLN A 23 2.910 5.242 6.748 1.00 0.00 H new ATOM 0 HA GLN A 23 0.609 4.413 8.137 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.251 5.890 9.135 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.023 7.089 7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.459 8.081 9.132 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.547 6.653 8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.611 8.321 11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.028 7.431 12.624 1.00 0.00 H new ATOM 321 N ALA A 24 0.077 6.817 5.916 1.00 0.00 N ATOM 322 CA ALA A 24 -0.948 7.441 5.091 1.00 0.00 C ATOM 323 C ALA A 24 -1.395 6.529 3.946 1.00 0.00 C ATOM 324 O ALA A 24 -2.392 6.805 3.279 1.00 0.00 O ATOM 325 CB ALA A 24 -0.429 8.761 4.548 1.00 0.00 C ATOM 0 H ALA A 24 1.007 7.224 5.812 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.822 7.621 5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.197 9.227 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.179 9.422 5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.462 8.582 3.946 1.00 0.00 H new ATOM 331 N PHE A 25 -0.661 5.441 3.723 1.00 0.00 N ATOM 332 CA PHE A 25 -0.988 4.501 2.666 1.00 0.00 C ATOM 333 C PHE A 25 -1.964 3.446 3.176 1.00 0.00 C ATOM 334 O PHE A 25 -2.739 2.873 2.412 1.00 0.00 O ATOM 335 CB PHE A 25 0.285 3.834 2.152 1.00 0.00 C ATOM 336 CG PHE A 25 0.100 3.084 0.865 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.673 1.934 0.815 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.706 3.529 -0.297 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.836 1.245 -0.372 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.547 2.843 -1.483 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.225 1.702 -1.519 1.00 0.00 C ATOM 0 H PHE A 25 0.166 5.193 4.265 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.461 5.044 1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.051 4.596 2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.656 3.146 2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.153 1.573 1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.310 4.424 -0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.441 0.351 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.027 3.200 -2.382 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.351 1.165 -2.448 1.00 0.00 H new ATOM 351 N SER A 26 -1.927 3.201 4.479 1.00 0.00 N ATOM 352 CA SER A 26 -2.817 2.228 5.088 1.00 0.00 C ATOM 353 C SER A 26 -4.263 2.658 4.871 1.00 0.00 C ATOM 354 O SER A 26 -5.090 1.885 4.387 1.00 0.00 O ATOM 355 CB SER A 26 -2.500 2.083 6.584 1.00 0.00 C ATOM 356 OG SER A 26 -3.559 2.562 7.400 1.00 0.00 O ATOM 0 H SER A 26 -1.292 3.662 5.131 1.00 0.00 H new ATOM 0 HA SER A 26 -2.670 1.255 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.310 1.035 6.815 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.587 2.631 6.816 1.00 0.00 H new ATOM 0 HG SER A 26 -3.320 2.451 8.344 1.00 0.00 H new ATOM 362 N THR A 27 -4.552 3.909 5.215 1.00 0.00 N ATOM 363 CA THR A 27 -5.889 4.459 5.042 1.00 0.00 C ATOM 364 C THR A 27 -6.135 4.867 3.587 1.00 0.00 C ATOM 365 O THR A 27 -7.215 5.351 3.248 1.00 0.00 O ATOM 366 CB THR A 27 -6.088 5.665 5.961 1.00 0.00 C ATOM 367 OG1 THR A 27 -5.407 6.799 5.455 1.00 0.00 O ATOM 368 CG2 THR A 27 -5.600 5.428 7.374 1.00 0.00 C ATOM 0 H THR A 27 -3.877 4.560 5.615 1.00 0.00 H new ATOM 0 HA THR A 27 -6.608 3.683 5.306 1.00 0.00 H new ATOM 0 HB THR A 27 -7.165 5.832 5.989 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.548 7.560 6.056 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.771 6.323 7.973 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.143 4.590 7.811 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.534 5.201 7.357 1.00 0.00 H new ATOM 376 N GLN A 28 -5.131 4.668 2.724 1.00 0.00 N ATOM 377 CA GLN A 28 -5.253 5.016 1.311 1.00 0.00 C ATOM 378 C GLN A 28 -6.551 4.464 0.736 1.00 0.00 C ATOM 379 O GLN A 28 -7.481 5.217 0.446 1.00 0.00 O ATOM 380 CB GLN A 28 -4.046 4.470 0.533 1.00 0.00 C ATOM 381 CG GLN A 28 -3.734 5.171 -0.791 1.00 0.00 C ATOM 382 CD GLN A 28 -4.318 6.569 -0.915 1.00 0.00 C ATOM 383 OE1 GLN A 28 -5.112 6.846 -1.814 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.925 7.457 -0.007 1.00 0.00 N ATOM 0 H GLN A 28 -4.229 4.269 2.983 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.272 6.102 1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.166 4.535 1.173 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.216 3.412 0.331 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.652 5.231 -0.910 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.112 4.559 -1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.265 7.184 0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.284 8.411 -0.038 1.00 0.00 H new ATOM 393 N SER A 29 -6.622 3.144 0.601 1.00 0.00 N ATOM 394 CA SER A 29 -7.824 2.503 0.094 1.00 0.00 C ATOM 395 C SER A 29 -8.292 1.409 1.049 1.00 0.00 C ATOM 396 O SER A 29 -9.037 0.509 0.660 1.00 0.00 O ATOM 397 CB SER A 29 -7.606 1.930 -1.303 1.00 0.00 C ATOM 398 OG SER A 29 -8.765 2.084 -2.104 1.00 0.00 O ATOM 0 H SER A 29 -5.864 2.502 0.835 1.00 0.00 H new ATOM 0 HA SER A 29 -8.600 3.265 0.025 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.763 2.432 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.348 0.873 -1.230 1.00 0.00 H new ATOM 0 HG SER A 29 -8.654 2.858 -2.695 1.00 0.00 H new ATOM 404 N GLY A 30 -7.854 1.498 2.305 1.00 0.00 N ATOM 405 CA GLY A 30 -8.244 0.517 3.298 1.00 0.00 C ATOM 406 C GLY A 30 -7.137 -0.467 3.639 1.00 0.00 C ATOM 407 O GLY A 30 -7.335 -1.356 4.463 1.00 0.00 O ATOM 0 H GLY A 30 -7.236 2.233 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.554 1.033 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.111 -0.034 2.933 1.00 0.00 H new ATOM 411 N MET A 31 -5.973 -0.323 3.009 1.00 0.00 N ATOM 412 CA MET A 31 -4.857 -1.233 3.272 1.00 0.00 C ATOM 413 C MET A 31 -4.430 -1.190 4.738 1.00 0.00 C ATOM 414 O MET A 31 -4.760 -0.256 5.468 1.00 0.00 O ATOM 415 CB MET A 31 -3.662 -0.886 2.383 1.00 0.00 C ATOM 416 CG MET A 31 -2.759 -2.072 2.083 1.00 0.00 C ATOM 417 SD MET A 31 -3.641 -3.445 1.318 1.00 0.00 S ATOM 418 CE MET A 31 -2.420 -4.015 0.137 1.00 0.00 C ATOM 0 H MET A 31 -5.778 0.405 2.321 1.00 0.00 H new ATOM 0 HA MET A 31 -5.201 -2.242 3.043 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.028 -0.472 1.443 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.074 -0.106 2.867 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.953 -1.751 1.423 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.296 -2.414 3.009 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.728 -3.733 -0.870 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.456 -3.559 0.362 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.332 -5.100 0.199 1.00 0.00 H new ATOM 428 N ASN A 32 -3.677 -2.207 5.157 1.00 0.00 N ATOM 429 CA ASN A 32 -3.182 -2.287 6.529 1.00 0.00 C ATOM 430 C ASN A 32 -1.872 -1.521 6.665 1.00 0.00 C ATOM 431 O ASN A 32 -1.529 -0.704 5.810 1.00 0.00 O ATOM 432 CB ASN A 32 -2.964 -3.732 6.932 1.00 0.00 C ATOM 433 CG ASN A 32 -3.535 -4.074 8.285 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.343 -3.337 8.849 1.00 0.00 O ATOM 435 ND2 ASN A 32 -3.103 -5.211 8.804 1.00 0.00 N ATOM 0 H ASN A 32 -3.397 -2.988 4.564 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.929 -1.842 7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.415 -4.382 6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.895 -3.942 6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.441 -5.516 9.717 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.432 -5.783 8.291 1.00 0.00 H new ATOM 442 N LEU A 33 -1.135 -1.803 7.731 1.00 0.00 N ATOM 443 CA LEU A 33 0.146 -1.150 7.965 1.00 0.00 C ATOM 444 C LEU A 33 1.300 -2.099 7.648 1.00 0.00 C ATOM 445 O LEU A 33 2.402 -1.947 8.174 1.00 0.00 O ATOM 446 CB LEU A 33 0.244 -0.673 9.415 1.00 0.00 C ATOM 447 CG LEU A 33 0.556 0.814 9.588 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.794 1.196 8.791 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.635 1.660 9.164 1.00 0.00 C ATOM 0 H LEU A 33 -1.402 -2.479 8.447 1.00 0.00 H new ATOM 0 HA LEU A 33 0.214 -0.286 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.698 -0.892 9.918 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.017 -1.252 9.920 1.00 0.00 H new ATOM 0 HG LEU A 33 0.755 1.004 10.643 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.001 2.258 8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.646 0.613 9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.624 0.991 7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.396 2.716 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.865 1.466 8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.499 1.406 9.778 1.00 0.00 H new ATOM 461 N GLU A 34 1.037 -3.083 6.789 1.00 0.00 N ATOM 462 CA GLU A 34 2.062 -4.057 6.414 1.00 0.00 C ATOM 463 C GLU A 34 1.968 -4.469 4.947 1.00 0.00 C ATOM 464 O GLU A 34 2.989 -4.696 4.299 1.00 0.00 O ATOM 465 CB GLU A 34 1.973 -5.293 7.311 1.00 0.00 C ATOM 466 CG GLU A 34 0.569 -5.862 7.426 1.00 0.00 C ATOM 467 CD GLU A 34 0.492 -7.316 7.003 1.00 0.00 C ATOM 468 OE1 GLU A 34 0.779 -7.607 5.822 1.00 0.00 O ATOM 469 OE2 GLU A 34 0.145 -8.164 7.851 1.00 0.00 O ATOM 0 H GLU A 34 0.131 -3.227 6.343 1.00 0.00 H new ATOM 0 HA GLU A 34 3.028 -3.572 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.637 -6.064 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.334 -5.036 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.227 -5.769 8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.110 -5.272 6.810 1.00 0.00 H new ATOM 476 N TRP A 35 0.756 -4.543 4.415 1.00 0.00 N ATOM 477 CA TRP A 35 0.575 -4.902 3.014 1.00 0.00 C ATOM 478 C TRP A 35 0.731 -3.657 2.150 1.00 0.00 C ATOM 479 O TRP A 35 1.063 -3.742 0.968 1.00 0.00 O ATOM 480 CB TRP A 35 -0.788 -5.556 2.763 1.00 0.00 C ATOM 481 CG TRP A 35 -1.295 -6.379 3.902 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.734 -5.950 5.113 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.423 -7.783 3.910 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.134 -7.010 5.877 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.945 -8.156 5.156 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.142 -8.753 2.975 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.189 -9.478 5.487 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.388 -10.075 3.300 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.905 -10.426 4.546 1.00 0.00 C ATOM 0 H TRP A 35 -0.109 -4.362 4.925 1.00 0.00 H new ATOM 0 HA TRP A 35 1.337 -5.635 2.749 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.517 -4.776 2.541 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.717 -6.187 1.877 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.763 -4.917 5.428 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.510 -6.955 6.824 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.738 -8.488 2.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.589 -9.749 6.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.176 -10.848 2.576 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.084 -11.467 4.771 1.00 0.00 H new ATOM 500 N SER A 36 0.501 -2.496 2.763 1.00 0.00 N ATOM 501 CA SER A 36 0.627 -1.224 2.075 1.00 0.00 C ATOM 502 C SER A 36 2.088 -0.954 1.720 1.00 0.00 C ATOM 503 O SER A 36 2.382 -0.304 0.717 1.00 0.00 O ATOM 504 CB SER A 36 0.076 -0.099 2.954 1.00 0.00 C ATOM 505 OG SER A 36 0.354 -0.338 4.322 1.00 0.00 O ATOM 0 H SER A 36 0.225 -2.417 3.742 1.00 0.00 H new ATOM 0 HA SER A 36 0.050 -1.264 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.515 0.852 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.001 -0.014 2.808 1.00 0.00 H new ATOM 0 HG SER A 36 -0.411 -0.788 4.738 1.00 0.00 H new ATOM 511 N GLN A 37 3.003 -1.464 2.548 1.00 0.00 N ATOM 512 CA GLN A 37 4.431 -1.278 2.313 1.00 0.00 C ATOM 513 C GLN A 37 4.853 -1.916 0.995 1.00 0.00 C ATOM 514 O GLN A 37 5.498 -1.276 0.165 1.00 0.00 O ATOM 515 CB GLN A 37 5.249 -1.876 3.457 1.00 0.00 C ATOM 516 CG GLN A 37 6.647 -1.292 3.568 1.00 0.00 C ATOM 517 CD GLN A 37 7.684 -2.327 3.952 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.354 -3.387 4.483 1.00 0.00 O ATOM 519 NE2 GLN A 37 8.947 -2.022 3.683 1.00 0.00 N ATOM 0 H GLN A 37 2.779 -2.006 3.382 1.00 0.00 H new ATOM 0 HA GLN A 37 4.621 -0.206 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.720 -1.714 4.396 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.324 -2.954 3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.925 -0.841 2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.645 -0.493 4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.174 -1.131 3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.691 -2.679 3.918 1.00 0.00 H new ATOM 528 N LYS A 38 4.487 -3.181 0.805 1.00 0.00 N ATOM 529 CA LYS A 38 4.831 -3.893 -0.419 1.00 0.00 C ATOM 530 C LYS A 38 4.374 -3.101 -1.634 1.00 0.00 C ATOM 531 O LYS A 38 5.056 -3.061 -2.658 1.00 0.00 O ATOM 532 CB LYS A 38 4.197 -5.285 -0.427 1.00 0.00 C ATOM 533 CG LYS A 38 4.944 -6.299 0.424 1.00 0.00 C ATOM 534 CD LYS A 38 6.252 -6.718 -0.228 1.00 0.00 C ATOM 535 CE LYS A 38 7.366 -6.854 0.796 1.00 0.00 C ATOM 536 NZ LYS A 38 7.026 -7.840 1.860 1.00 0.00 N ATOM 0 H LYS A 38 3.955 -3.730 1.480 1.00 0.00 H new ATOM 0 HA LYS A 38 5.914 -4.006 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.170 -5.209 -0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.151 -5.648 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.146 -5.872 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.317 -7.177 0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.114 -7.667 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.536 -5.983 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.284 -7.162 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.562 -5.883 1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.869 -8.030 2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.271 -7.454 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.700 -8.725 1.422 1.00 0.00 H new ATOM 550 N CYS A 39 3.221 -2.456 -1.505 1.00 0.00 N ATOM 551 CA CYS A 39 2.678 -1.644 -2.582 1.00 0.00 C ATOM 552 C CYS A 39 3.600 -0.464 -2.850 1.00 0.00 C ATOM 553 O CYS A 39 3.830 -0.083 -3.997 1.00 0.00 O ATOM 554 CB CYS A 39 1.281 -1.143 -2.215 1.00 0.00 C ATOM 555 SG CYS A 39 0.113 -2.460 -1.805 1.00 0.00 S ATOM 0 H CYS A 39 2.645 -2.481 -0.664 1.00 0.00 H new ATOM 0 HA CYS A 39 2.604 -2.254 -3.482 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.361 -0.465 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.883 -0.565 -3.049 1.00 0.00 H new ATOM 0 HG CYS A 39 0.473 -3.029 -0.693 1.00 0.00 H new ATOM 561 N LEU A 40 4.128 0.102 -1.771 1.00 0.00 N ATOM 562 CA LEU A 40 5.034 1.239 -1.860 1.00 0.00 C ATOM 563 C LEU A 40 6.478 0.800 -2.044 1.00 0.00 C ATOM 564 O LEU A 40 7.396 1.599 -1.894 1.00 0.00 O ATOM 565 CB LEU A 40 4.934 2.084 -0.605 1.00 0.00 C ATOM 566 CG LEU A 40 3.593 2.754 -0.392 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.230 2.717 1.063 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.647 4.182 -0.882 1.00 0.00 C ATOM 0 H LEU A 40 3.942 -0.211 -0.818 1.00 0.00 H new ATOM 0 HA LEU A 40 4.737 1.821 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.150 1.454 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.706 2.853 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 40 2.831 2.218 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.264 3.201 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.171 1.681 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.990 3.242 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.679 4.657 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.412 4.727 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.889 4.193 -1.945 1.00 0.00 H new ATOM 580 N GLN A 41 6.684 -0.463 -2.361 1.00 0.00 N ATOM 581 CA GLN A 41 8.031 -0.972 -2.565 1.00 0.00 C ATOM 582 C GLN A 41 8.231 -1.371 -4.024 1.00 0.00 C ATOM 583 O GLN A 41 9.349 -1.345 -4.538 1.00 0.00 O ATOM 584 CB GLN A 41 8.306 -2.159 -1.639 1.00 0.00 C ATOM 585 CG GLN A 41 8.544 -1.761 -0.192 1.00 0.00 C ATOM 586 CD GLN A 41 9.544 -2.664 0.502 1.00 0.00 C ATOM 587 OE1 GLN A 41 9.631 -3.856 0.206 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.305 -2.100 1.431 1.00 0.00 N ATOM 0 H GLN A 41 5.943 -1.154 -2.483 1.00 0.00 H new ATOM 0 HA GLN A 41 8.740 -0.180 -2.322 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.461 -2.847 -1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.178 -2.701 -2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.902 -0.732 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.598 -1.788 0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.199 -1.108 1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.996 -2.658 1.932 1.00 0.00 H new ATOM 597 N ASP A 42 7.134 -1.722 -4.691 1.00 0.00 N ATOM 598 CA ASP A 42 7.179 -2.105 -6.096 1.00 0.00 C ATOM 599 C ASP A 42 7.134 -0.862 -6.977 1.00 0.00 C ATOM 600 O ASP A 42 7.671 -0.849 -8.084 1.00 0.00 O ATOM 601 CB ASP A 42 6.006 -3.027 -6.436 1.00 0.00 C ATOM 602 CG ASP A 42 6.381 -4.494 -6.355 1.00 0.00 C ATOM 603 OD1 ASP A 42 7.592 -4.799 -6.376 1.00 0.00 O ATOM 604 OD2 ASP A 42 5.464 -5.337 -6.270 1.00 0.00 O ATOM 0 H ASP A 42 6.202 -1.748 -4.278 1.00 0.00 H new ATOM 0 HA ASP A 42 8.110 -2.641 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.181 -2.828 -5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.649 -2.801 -7.441 1.00 0.00 H new ATOM 609 N ASN A 43 6.493 0.185 -6.465 1.00 0.00 N ATOM 610 CA ASN A 43 6.375 1.445 -7.187 1.00 0.00 C ATOM 611 C ASN A 43 7.468 2.429 -6.764 1.00 0.00 C ATOM 612 O ASN A 43 7.646 3.473 -7.392 1.00 0.00 O ATOM 613 CB ASN A 43 4.994 2.059 -6.956 1.00 0.00 C ATOM 614 CG ASN A 43 3.881 1.187 -7.505 1.00 0.00 C ATOM 615 OD1 ASN A 43 3.203 1.556 -8.463 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.687 0.021 -6.897 1.00 0.00 N ATOM 0 H ASN A 43 6.046 0.184 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 43 6.499 1.238 -8.250 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.840 2.212 -5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.951 3.041 -7.428 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.952 -0.608 -7.222 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.273 -0.245 -6.106 1.00 0.00 H new ATOM 623 N ASN A 44 8.207 2.085 -5.704 1.00 0.00 N ATOM 624 CA ASN A 44 9.295 2.925 -5.202 1.00 0.00 C ATOM 625 C ASN A 44 8.786 4.041 -4.293 1.00 0.00 C ATOM 626 O ASN A 44 9.360 5.130 -4.266 1.00 0.00 O ATOM 627 CB ASN A 44 10.106 3.526 -6.356 1.00 0.00 C ATOM 628 CG ASN A 44 10.295 2.549 -7.500 1.00 0.00 C ATOM 629 OD1 ASN A 44 10.757 1.425 -7.303 1.00 0.00 O ATOM 630 ND2 ASN A 44 9.938 2.974 -8.707 1.00 0.00 N ATOM 0 H ASN A 44 8.068 1.224 -5.175 1.00 0.00 H new ATOM 0 HA ASN A 44 9.942 2.277 -4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.602 4.419 -6.724 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.082 3.841 -5.986 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.043 2.361 -9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.559 3.914 -8.825 1.00 0.00 H new ATOM 637 N TRP A 45 7.728 3.771 -3.531 1.00 0.00 N ATOM 638 CA TRP A 45 7.193 4.762 -2.617 1.00 0.00 C ATOM 639 C TRP A 45 6.763 6.030 -3.337 1.00 0.00 C ATOM 640 O TRP A 45 7.130 7.135 -2.946 1.00 0.00 O ATOM 641 CB TRP A 45 8.224 5.061 -1.528 1.00 0.00 C ATOM 642 CG TRP A 45 8.587 3.816 -0.791 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.562 2.919 -1.123 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.942 3.294 0.375 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.545 1.868 -0.248 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.566 2.081 0.678 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.896 3.729 1.194 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.176 1.305 1.747 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.512 2.951 2.255 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.150 1.754 2.523 1.00 0.00 C ATOM 0 H TRP A 45 7.232 2.880 -3.532 1.00 0.00 H new ATOM 0 HA TRP A 45 6.295 4.353 -2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 45 9.117 5.498 -1.975 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.822 5.798 -0.832 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.245 3.024 -1.953 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.163 1.057 -0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.397 4.666 0.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.669 0.369 1.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.701 3.277 2.890 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.828 1.161 3.367 1.00 0.00 H new ATOM 661 N ASP A 46 5.941 5.860 -4.367 1.00 0.00 N ATOM 662 CA ASP A 46 5.407 6.993 -5.106 1.00 0.00 C ATOM 663 C ASP A 46 4.229 7.540 -4.327 1.00 0.00 C ATOM 664 O ASP A 46 4.009 8.749 -4.247 1.00 0.00 O ATOM 665 CB ASP A 46 4.978 6.578 -6.515 1.00 0.00 C ATOM 666 CG ASP A 46 4.911 7.754 -7.469 1.00 0.00 C ATOM 667 OD1 ASP A 46 4.574 8.868 -7.016 1.00 0.00 O ATOM 668 OD2 ASP A 46 5.196 7.561 -8.670 1.00 0.00 O ATOM 0 H ASP A 46 5.632 4.949 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 46 6.175 7.759 -5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.679 5.839 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.001 6.096 -6.467 1.00 0.00 H new ATOM 673 N TYR A 47 3.501 6.611 -3.718 1.00 0.00 N ATOM 674 CA TYR A 47 2.354 6.912 -2.883 1.00 0.00 C ATOM 675 C TYR A 47 1.061 7.040 -3.673 1.00 0.00 C ATOM 676 O TYR A 47 -0.027 6.904 -3.114 1.00 0.00 O ATOM 677 CB TYR A 47 2.571 8.174 -2.059 1.00 0.00 C ATOM 678 CG TYR A 47 1.568 8.289 -0.951 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.314 8.824 -1.199 1.00 0.00 C ATOM 680 CD2 TYR A 47 1.859 7.840 0.332 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.629 8.915 -0.204 1.00 0.00 C ATOM 682 CE2 TYR A 47 0.918 7.930 1.339 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.327 8.470 1.063 1.00 0.00 C ATOM 684 OH TYR A 47 -1.273 8.560 2.053 1.00 0.00 O ATOM 0 H TYR A 47 3.698 5.613 -3.795 1.00 0.00 H new ATOM 0 HA TYR A 47 2.253 6.058 -2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.577 8.167 -1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.501 9.048 -2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.074 9.175 -2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.830 7.417 0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.602 9.333 -0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.151 7.582 2.334 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.868 7.782 2.009 1.00 0.00 H new ATOM 694 N THR A 48 1.170 7.303 -4.962 1.00 0.00 N ATOM 695 CA THR A 48 -0.014 7.447 -5.793 1.00 0.00 C ATOM 696 C THR A 48 -0.124 6.289 -6.773 1.00 0.00 C ATOM 697 O THR A 48 -1.178 5.668 -6.899 1.00 0.00 O ATOM 698 CB THR A 48 0.020 8.776 -6.549 1.00 0.00 C ATOM 699 OG1 THR A 48 0.612 9.789 -5.756 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.351 9.261 -6.967 1.00 0.00 C ATOM 0 H THR A 48 2.056 7.421 -5.454 1.00 0.00 H new ATOM 0 HA THR A 48 -0.889 7.437 -5.144 1.00 0.00 H new ATOM 0 HB THR A 48 0.608 8.584 -7.446 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.626 10.631 -6.258 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.256 10.208 -7.498 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.814 8.523 -7.622 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.972 9.402 -6.083 1.00 0.00 H new ATOM 708 N ARG A 49 0.974 5.996 -7.461 1.00 0.00 N ATOM 709 CA ARG A 49 0.995 4.904 -8.424 1.00 0.00 C ATOM 710 C ARG A 49 0.957 3.564 -7.706 1.00 0.00 C ATOM 711 O ARG A 49 0.470 2.572 -8.248 1.00 0.00 O ATOM 712 CB ARG A 49 2.236 4.994 -9.313 1.00 0.00 C ATOM 713 CG ARG A 49 2.032 4.412 -10.703 1.00 0.00 C ATOM 714 CD ARG A 49 2.914 3.195 -10.932 1.00 0.00 C ATOM 715 NE ARG A 49 3.247 3.019 -12.343 1.00 0.00 N ATOM 716 CZ ARG A 49 2.362 2.669 -13.270 1.00 0.00 C ATOM 717 NH1 ARG A 49 1.096 2.459 -12.935 1.00 0.00 N ATOM 718 NH2 ARG A 49 2.741 2.529 -14.533 1.00 0.00 N ATOM 0 H ARG A 49 1.857 6.498 -7.370 1.00 0.00 H new ATOM 0 HA ARG A 49 0.111 4.987 -9.056 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.532 6.039 -9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.060 4.472 -8.827 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.986 4.134 -10.832 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.255 5.171 -11.453 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.832 3.298 -10.353 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.404 2.304 -10.566 1.00 0.00 H new ATOM 0 HE ARG A 49 4.213 3.173 -12.633 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.801 2.566 -11.965 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.418 2.190 -13.648 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.714 2.690 -14.794 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.060 2.260 -15.243 1.00 0.00 H new ATOM 732 N SER A 50 1.456 3.544 -6.476 1.00 0.00 N ATOM 733 CA SER A 50 1.456 2.325 -5.684 1.00 0.00 C ATOM 734 C SER A 50 0.046 2.027 -5.208 1.00 0.00 C ATOM 735 O SER A 50 -0.568 1.060 -5.646 1.00 0.00 O ATOM 736 CB SER A 50 2.407 2.442 -4.490 1.00 0.00 C ATOM 737 OG SER A 50 2.721 3.794 -4.211 1.00 0.00 O ATOM 0 H SER A 50 1.863 4.354 -6.009 1.00 0.00 H new ATOM 0 HA SER A 50 1.807 1.505 -6.310 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.950 1.984 -3.613 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.323 1.889 -4.697 1.00 0.00 H new ATOM 0 HG SER A 50 1.934 4.242 -3.836 1.00 0.00 H new ATOM 743 N ALA A 51 -0.469 2.871 -4.320 1.00 0.00 N ATOM 744 CA ALA A 51 -1.820 2.693 -3.805 1.00 0.00 C ATOM 745 C ALA A 51 -2.852 2.696 -4.925 1.00 0.00 C ATOM 746 O ALA A 51 -3.974 2.239 -4.731 1.00 0.00 O ATOM 747 CB ALA A 51 -2.150 3.761 -2.779 1.00 0.00 C ATOM 0 H ALA A 51 0.026 3.680 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.858 1.718 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.164 3.608 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.446 3.698 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.077 4.745 -3.242 1.00 0.00 H new ATOM 753 N GLN A 52 -2.478 3.195 -6.101 1.00 0.00 N ATOM 754 CA GLN A 52 -3.406 3.216 -7.224 1.00 0.00 C ATOM 755 C GLN A 52 -3.526 1.822 -7.821 1.00 0.00 C ATOM 756 O GLN A 52 -4.614 1.385 -8.195 1.00 0.00 O ATOM 757 CB GLN A 52 -2.950 4.219 -8.288 1.00 0.00 C ATOM 758 CG GLN A 52 -3.731 4.129 -9.590 1.00 0.00 C ATOM 759 CD GLN A 52 -3.149 3.109 -10.550 1.00 0.00 C ATOM 760 OE1 GLN A 52 -1.945 2.852 -10.545 1.00 0.00 O ATOM 761 NE2 GLN A 52 -4.004 2.523 -11.380 1.00 0.00 N ATOM 0 H GLN A 52 -1.555 3.583 -6.298 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.385 3.532 -6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.045 5.228 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.893 4.057 -8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.766 3.867 -9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.744 5.108 -10.070 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.994 2.767 -11.349 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.671 1.829 -12.049 1.00 0.00 H new ATOM 770 N ALA A 53 -2.403 1.118 -7.879 1.00 0.00 N ATOM 771 CA ALA A 53 -2.383 -0.240 -8.398 1.00 0.00 C ATOM 772 C ALA A 53 -2.872 -1.219 -7.338 1.00 0.00 C ATOM 773 O ALA A 53 -3.308 -2.327 -7.650 1.00 0.00 O ATOM 774 CB ALA A 53 -0.980 -0.609 -8.841 1.00 0.00 C ATOM 0 H ALA A 53 -1.495 1.467 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.050 -0.294 -9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.977 -1.628 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.653 0.077 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.301 -0.541 -7.991 1.00 0.00 H new ATOM 780 N PHE A 54 -2.800 -0.793 -6.080 1.00 0.00 N ATOM 781 CA PHE A 54 -3.234 -1.608 -4.966 1.00 0.00 C ATOM 782 C PHE A 54 -4.756 -1.663 -4.937 1.00 0.00 C ATOM 783 O PHE A 54 -5.343 -2.731 -4.772 1.00 0.00 O ATOM 784 CB PHE A 54 -2.650 -1.031 -3.652 1.00 0.00 C ATOM 785 CG PHE A 54 -3.643 -0.816 -2.533 1.00 0.00 C ATOM 786 CD1 PHE A 54 -4.168 -1.898 -1.849 1.00 0.00 C ATOM 787 CD2 PHE A 54 -4.052 0.462 -2.179 1.00 0.00 C ATOM 788 CE1 PHE A 54 -5.081 -1.712 -0.833 1.00 0.00 C ATOM 789 CE2 PHE A 54 -4.965 0.653 -1.159 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.478 -0.437 -0.488 1.00 0.00 C ATOM 0 H PHE A 54 -2.440 0.123 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.868 -2.629 -5.076 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.870 -1.704 -3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.171 -0.078 -3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.859 -2.899 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.653 1.316 -2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.485 -2.564 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.275 1.652 -0.889 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.192 -0.292 0.309 1.00 0.00 H new ATOM 800 N THR A 55 -5.383 -0.500 -5.089 1.00 0.00 N ATOM 801 CA THR A 55 -6.832 -0.415 -5.065 1.00 0.00 C ATOM 802 C THR A 55 -7.452 -1.315 -6.126 1.00 0.00 C ATOM 803 O THR A 55 -8.433 -2.010 -5.866 1.00 0.00 O ATOM 804 CB THR A 55 -7.292 1.027 -5.262 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.074 1.450 -6.596 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.596 2.010 -4.347 1.00 0.00 C ATOM 0 H THR A 55 -4.908 0.392 -5.229 1.00 0.00 H new ATOM 0 HA THR A 55 -7.169 -0.758 -4.087 1.00 0.00 H new ATOM 0 HB THR A 55 -8.355 1.023 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.137 1.295 -6.839 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.971 3.015 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.793 1.743 -3.309 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.522 1.981 -4.532 1.00 0.00 H new ATOM 814 N HIS A 56 -6.870 -1.306 -7.319 1.00 0.00 N ATOM 815 CA HIS A 56 -7.368 -2.132 -8.410 1.00 0.00 C ATOM 816 C HIS A 56 -7.205 -3.611 -8.077 1.00 0.00 C ATOM 817 O HIS A 56 -7.944 -4.458 -8.578 1.00 0.00 O ATOM 818 CB HIS A 56 -6.618 -1.808 -9.701 1.00 0.00 C ATOM 819 CG HIS A 56 -7.246 -2.399 -10.924 1.00 0.00 C ATOM 820 ND1 HIS A 56 -8.360 -1.877 -11.544 1.00 0.00 N ATOM 821 CD2 HIS A 56 -6.895 -3.494 -11.646 1.00 0.00 C ATOM 822 CE1 HIS A 56 -8.644 -2.653 -12.599 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.785 -3.648 -12.705 1.00 0.00 N ATOM 0 H HIS A 56 -6.056 -0.738 -7.554 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.428 -1.917 -8.548 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.564 -0.726 -9.818 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.594 -2.171 -9.617 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.058 -4.142 -11.433 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.469 -2.485 -13.275 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.775 -4.379 -13.416 1.00 0.00 H new ATOM 831 N LEU A 57 -6.220 -3.910 -7.237 1.00 0.00 N ATOM 832 CA LEU A 57 -5.938 -5.283 -6.840 1.00 0.00 C ATOM 833 C LEU A 57 -6.804 -5.728 -5.659 1.00 0.00 C ATOM 834 O LEU A 57 -6.969 -6.925 -5.422 1.00 0.00 O ATOM 835 CB LEU A 57 -4.456 -5.427 -6.486 1.00 0.00 C ATOM 836 CG LEU A 57 -4.059 -6.774 -5.880 1.00 0.00 C ATOM 837 CD1 LEU A 57 -2.927 -7.404 -6.677 1.00 0.00 C ATOM 838 CD2 LEU A 57 -3.656 -6.599 -4.425 1.00 0.00 C ATOM 0 H LEU A 57 -5.602 -3.216 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.180 -5.928 -7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.866 -5.265 -7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.188 -4.638 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.920 -7.442 -5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.657 -8.362 -6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.250 -7.561 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.061 -6.742 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.376 -7.566 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.808 -5.917 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.494 -6.189 -3.862 1.00 0.00 H new ATOM 850 N LYS A 58 -7.356 -4.770 -4.915 1.00 0.00 N ATOM 851 CA LYS A 58 -8.198 -5.099 -3.765 1.00 0.00 C ATOM 852 C LYS A 58 -9.360 -5.995 -4.179 1.00 0.00 C ATOM 853 O LYS A 58 -9.836 -6.814 -3.393 1.00 0.00 O ATOM 854 CB LYS A 58 -8.737 -3.829 -3.100 1.00 0.00 C ATOM 855 CG LYS A 58 -7.655 -2.870 -2.650 1.00 0.00 C ATOM 856 CD LYS A 58 -8.246 -1.627 -2.010 1.00 0.00 C ATOM 857 CE LYS A 58 -9.275 -0.967 -2.915 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.665 -1.188 -2.429 1.00 0.00 N ATOM 0 H LYS A 58 -7.238 -3.771 -5.085 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.578 -5.636 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.397 -3.316 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.342 -4.110 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.997 -3.369 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.042 -2.584 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.712 -1.892 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.449 -0.918 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.076 0.103 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.177 -1.363 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.336 -0.723 -3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.864 -2.208 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.767 -0.788 -1.475 1.00 0.00 H new ATOM 872 N ALA A 59 -9.815 -5.830 -5.416 1.00 0.00 N ATOM 873 CA ALA A 59 -10.927 -6.622 -5.932 1.00 0.00 C ATOM 874 C ALA A 59 -10.563 -7.315 -7.242 1.00 0.00 C ATOM 875 O ALA A 59 -11.442 -7.704 -8.011 1.00 0.00 O ATOM 876 CB ALA A 59 -12.149 -5.740 -6.127 1.00 0.00 C ATOM 0 H ALA A 59 -9.432 -5.156 -6.080 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.154 -7.396 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.973 -6.340 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.436 -5.300 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.915 -4.946 -6.837 1.00 0.00 H new ATOM 882 N LYS A 60 -9.268 -7.466 -7.492 1.00 0.00 N ATOM 883 CA LYS A 60 -8.798 -8.113 -8.713 1.00 0.00 C ATOM 884 C LYS A 60 -7.712 -9.140 -8.406 1.00 0.00 C ATOM 885 O LYS A 60 -7.811 -10.301 -8.802 1.00 0.00 O ATOM 886 CB LYS A 60 -8.264 -7.069 -9.695 1.00 0.00 C ATOM 887 CG LYS A 60 -9.325 -6.096 -10.184 1.00 0.00 C ATOM 888 CD LYS A 60 -10.198 -6.718 -11.262 1.00 0.00 C ATOM 889 CE LYS A 60 -10.104 -5.947 -12.568 1.00 0.00 C ATOM 890 NZ LYS A 60 -11.303 -6.159 -13.425 1.00 0.00 N ATOM 0 H LYS A 60 -8.525 -7.150 -6.868 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.643 -8.631 -9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.462 -6.508 -9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.827 -7.579 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.948 -5.784 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.845 -5.199 -10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.894 -7.752 -11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.234 -6.740 -10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.993 -4.884 -12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.211 -6.258 -13.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.200 -5.616 -14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.395 -7.170 -13.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.153 -5.839 -12.918 1.00 0.00 H new ATOM 904 N GLY A 61 -6.674 -8.703 -7.700 1.00 0.00 N ATOM 905 CA GLY A 61 -5.583 -9.595 -7.354 1.00 0.00 C ATOM 906 C GLY A 61 -5.933 -10.527 -6.211 1.00 0.00 C ATOM 907 O GLY A 61 -6.805 -11.386 -6.347 1.00 0.00 O ATOM 0 H GLY A 61 -6.569 -7.747 -7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.310 -10.185 -8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.708 -9.005 -7.082 1.00 0.00 H new ATOM 911 N GLU A 62 -5.252 -10.359 -5.082 1.00 0.00 N ATOM 912 CA GLU A 62 -5.497 -11.195 -3.913 1.00 0.00 C ATOM 913 C GLU A 62 -5.073 -10.485 -2.631 1.00 0.00 C ATOM 914 O GLU A 62 -3.959 -10.677 -2.143 1.00 0.00 O ATOM 915 CB GLU A 62 -4.749 -12.523 -4.045 1.00 0.00 C ATOM 916 CG GLU A 62 -5.513 -13.710 -3.481 1.00 0.00 C ATOM 917 CD GLU A 62 -5.658 -14.839 -4.483 1.00 0.00 C ATOM 918 OE1 GLU A 62 -4.657 -15.543 -4.733 1.00 0.00 O ATOM 919 OE2 GLU A 62 -6.773 -15.019 -5.017 1.00 0.00 O ATOM 0 H GLU A 62 -4.528 -9.653 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.568 -11.391 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.535 -12.707 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.790 -12.443 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.999 -14.080 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.503 -13.382 -3.162 1.00 0.00 H new ATOM 926 N ILE A 63 -5.970 -9.669 -2.088 1.00 0.00 N ATOM 927 CA ILE A 63 -5.693 -8.936 -0.860 1.00 0.00 C ATOM 928 C ILE A 63 -6.392 -9.590 0.327 1.00 0.00 C ATOM 929 O ILE A 63 -7.594 -9.412 0.520 1.00 0.00 O ATOM 930 CB ILE A 63 -6.146 -7.457 -0.965 1.00 0.00 C ATOM 931 CG1 ILE A 63 -5.288 -6.723 -2.001 1.00 0.00 C ATOM 932 CG2 ILE A 63 -6.076 -6.759 0.397 1.00 0.00 C ATOM 933 CD1 ILE A 63 -5.444 -5.216 -1.977 1.00 0.00 C ATOM 0 H ILE A 63 -6.896 -9.499 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.614 -8.961 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.186 -7.435 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.240 -6.972 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.546 -7.088 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.399 -5.723 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.728 -7.273 1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.051 -6.783 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.804 -4.772 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.483 -4.955 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.157 -4.836 -0.996 1.00 0.00 H new ATOM 945 N PRO A 64 -5.648 -10.333 1.157 1.00 0.00 N ATOM 946 CA PRO A 64 -6.219 -10.975 2.336 1.00 0.00 C ATOM 947 C PRO A 64 -6.950 -9.958 3.204 1.00 0.00 C ATOM 948 O PRO A 64 -6.499 -8.823 3.349 1.00 0.00 O ATOM 949 CB PRO A 64 -4.992 -11.527 3.063 1.00 0.00 C ATOM 950 CG PRO A 64 -3.982 -11.723 1.992 1.00 0.00 C ATOM 951 CD PRO A 64 -4.200 -10.587 1.037 1.00 0.00 C ATOM 0 HA PRO A 64 -6.953 -11.743 2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.635 -10.832 3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.220 -12.465 3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.970 -11.709 2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.114 -12.685 1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.612 -9.711 1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.919 -10.855 0.018 1.00 0.00 H new ATOM 959 N GLU A 65 -8.082 -10.357 3.764 1.00 0.00 N ATOM 960 CA GLU A 65 -8.869 -9.463 4.603 1.00 0.00 C ATOM 961 C GLU A 65 -8.056 -8.987 5.802 1.00 0.00 C ATOM 962 O GLU A 65 -8.211 -7.857 6.254 1.00 0.00 O ATOM 963 CB GLU A 65 -10.146 -10.161 5.059 1.00 0.00 C ATOM 964 CG GLU A 65 -10.925 -9.393 6.117 1.00 0.00 C ATOM 965 CD GLU A 65 -12.425 -9.479 5.914 1.00 0.00 C ATOM 966 OE1 GLU A 65 -13.018 -10.509 6.297 1.00 0.00 O ATOM 967 OE2 GLU A 65 -13.006 -8.517 5.370 1.00 0.00 O ATOM 0 H GLU A 65 -8.476 -11.291 3.654 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.141 -8.587 4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.789 -10.322 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.890 -11.144 5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.673 -9.783 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.619 -8.347 6.100 1.00 0.00 H new ATOM 974 N VAL A 66 -7.172 -9.850 6.298 1.00 0.00 N ATOM 975 CA VAL A 66 -6.306 -9.516 7.435 1.00 0.00 C ATOM 976 C VAL A 66 -5.770 -8.083 7.305 1.00 0.00 C ATOM 977 O VAL A 66 -5.528 -7.403 8.303 1.00 0.00 O ATOM 978 CB VAL A 66 -5.133 -10.535 7.542 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.646 -10.923 6.163 1.00 0.00 C ATOM 980 CG2 VAL A 66 -3.963 -10.007 8.365 1.00 0.00 C ATOM 0 H VAL A 66 -7.034 -10.791 5.931 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.898 -9.575 8.348 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.528 -11.409 8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.826 -11.636 6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.463 -11.379 5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.298 -10.034 5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.176 -10.761 8.404 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.574 -9.100 7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.302 -9.783 9.377 1.00 0.00 H new ATOM 990 N ALA A 67 -5.600 -7.638 6.064 1.00 0.00 N ATOM 991 CA ALA A 67 -5.109 -6.295 5.784 1.00 0.00 C ATOM 992 C ALA A 67 -6.122 -5.237 6.207 1.00 0.00 C ATOM 993 O ALA A 67 -5.933 -4.547 7.208 1.00 0.00 O ATOM 994 CB ALA A 67 -4.792 -6.156 4.302 1.00 0.00 C ATOM 0 H ALA A 67 -5.797 -8.193 5.231 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.199 -6.138 6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.426 -5.149 4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.028 -6.882 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.695 -6.337 3.718 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.196 -5.112 5.436 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.237 -4.134 5.728 1.00 0.00 C ATOM 1002 C PHE A 68 -8.673 -4.213 7.188 1.00 0.00 C ATOM 1003 O PHE A 68 -8.549 -3.244 7.936 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.440 -4.351 4.808 1.00 0.00 C ATOM 1005 CG PHE A 68 -9.082 -4.460 3.366 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.743 -3.336 2.639 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -9.098 -5.686 2.735 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.423 -3.435 1.305 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.782 -5.794 1.403 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.442 -4.667 0.681 1.00 0.00 C ATOM 0 H PHE A 68 -7.369 -5.676 4.604 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.826 -3.141 5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.960 -5.259 5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.139 -3.525 4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.729 -2.370 3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.362 -6.571 3.295 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.157 -2.550 0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.799 -6.760 0.920 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.192 -4.749 -0.367 1.00 0.00 H new ATOM 1020 N MET A 69 -9.181 -5.375 7.581 1.00 0.00 N ATOM 1021 CA MET A 69 -9.640 -5.599 8.949 1.00 0.00 C ATOM 1022 C MET A 69 -10.340 -6.951 9.065 1.00 0.00 C ATOM 1023 O MET A 69 -11.402 -7.162 8.479 1.00 0.00 O ATOM 1024 CB MET A 69 -10.592 -4.478 9.386 1.00 0.00 C ATOM 1025 CG MET A 69 -11.291 -4.748 10.710 1.00 0.00 C ATOM 1026 SD MET A 69 -13.087 -4.793 10.550 1.00 0.00 S ATOM 1027 CE MET A 69 -13.492 -6.136 11.664 1.00 0.00 C ATOM 0 H MET A 69 -9.286 -6.183 6.967 1.00 0.00 H new ATOM 0 HA MET A 69 -8.769 -5.597 9.605 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.030 -3.547 9.465 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.345 -4.331 8.612 1.00 0.00 H new ATOM 0 HG2 MET A 69 -10.942 -5.698 11.114 1.00 0.00 H new ATOM 0 HG3 MET A 69 -11.013 -3.976 11.427 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.571 -6.287 11.675 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.001 -7.049 11.327 1.00 0.00 H new ATOM 0 HE3 MET A 69 -13.150 -5.890 12.669 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.739 -7.862 9.823 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.309 -9.192 10.013 1.00 0.00 C ATOM 1039 C LYS A 70 -11.077 -9.271 11.329 1.00 0.00 C ATOM 1040 O LYS A 70 -12.087 -10.004 11.380 1.00 0.00 O ATOM 1041 CB LYS A 70 -9.207 -10.253 9.988 1.00 0.00 C ATOM 1042 CG LYS A 70 -8.304 -10.219 11.211 1.00 0.00 C ATOM 1043 CD LYS A 70 -6.842 -10.073 10.821 1.00 0.00 C ATOM 1044 CE LYS A 70 -6.484 -8.624 10.534 1.00 0.00 C ATOM 1045 NZ LYS A 70 -6.655 -7.761 11.736 1.00 0.00 N ATOM 1046 OXT LYS A 70 -10.661 -8.601 12.297 1.00 0.00 O ATOM 0 H LYS A 70 -8.859 -7.705 10.315 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.003 -9.382 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.665 -11.239 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.600 -10.113 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.594 -9.389 11.856 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.438 -11.134 11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.210 -10.453 11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.637 -10.681 9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.451 -8.567 10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.111 -8.248 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.795 -7.195 11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.467 -7.126 11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.823 -8.358 12.571 1.00 0.00 H new