USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 SER OG : rot 155:sc= 0.626 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.58) USER MOD Single : A 24 SER OG : rot -150:sc=-0.00653 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.75) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 149:sc= -0.0602 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.485 USER MOD Single : A 62 SER OG : rot 180:sc=0.000902 USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= -0.0296 (180deg=-0.258) USER MOD Single : A 71 ASN : amide:sc= -1.8 X(o=-1.8,f=-2.1!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 177:sc= -0.496 USER MOD Single : A 74 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -1.783 15.942 4.365 1.00 0.00 N ATOM 163 CA SER A 15 -1.126 14.856 5.084 1.00 0.00 C ATOM 164 C SER A 15 -0.356 13.956 4.123 1.00 0.00 C ATOM 165 O SER A 15 -0.892 13.504 3.111 1.00 0.00 O ATOM 166 CB SER A 15 -2.157 14.032 5.857 1.00 0.00 C ATOM 167 OG SER A 15 -1.556 13.357 6.949 1.00 0.00 O ATOM 0 HA SER A 15 -0.419 15.294 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.950 14.685 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.623 13.307 5.189 1.00 0.00 H new ATOM 0 HG SER A 15 -2.233 13.176 7.634 1.00 0.00 H new ATOM 173 N LYS A 16 0.907 13.700 4.447 1.00 0.00 N ATOM 174 CA LYS A 16 1.754 12.854 3.615 1.00 0.00 C ATOM 175 C LYS A 16 1.698 11.403 4.081 1.00 0.00 C ATOM 176 O LYS A 16 2.096 10.490 3.356 1.00 0.00 O ATOM 177 CB LYS A 16 3.200 13.355 3.646 1.00 0.00 C ATOM 178 CG LYS A 16 3.968 12.918 4.882 1.00 0.00 C ATOM 179 CD LYS A 16 3.547 13.709 6.109 1.00 0.00 C ATOM 180 CE LYS A 16 4.660 13.767 7.144 1.00 0.00 C ATOM 181 NZ LYS A 16 4.310 14.656 8.286 1.00 0.00 N ATOM 0 H LYS A 16 1.367 14.067 5.280 1.00 0.00 H new ATOM 0 HA LYS A 16 1.381 12.904 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.720 12.994 2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.200 14.444 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.801 11.855 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.037 13.049 4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.271 14.721 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.661 13.253 6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.864 12.762 7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.576 14.124 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.094 14.668 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.140 15.620 7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.451 14.301 8.752 1.00 0.00 H new ATOM 195 N THR A 17 1.201 11.195 5.296 1.00 0.00 N ATOM 196 CA THR A 17 1.092 9.855 5.859 1.00 0.00 C ATOM 197 C THR A 17 -0.286 9.258 5.597 1.00 0.00 C ATOM 198 O THR A 17 -1.298 9.774 6.074 1.00 0.00 O ATOM 199 CB THR A 17 1.357 9.859 7.376 1.00 0.00 C ATOM 200 OG1 THR A 17 2.660 10.389 7.645 1.00 0.00 O ATOM 201 CG2 THR A 17 1.247 8.454 7.949 1.00 0.00 C ATOM 0 H THR A 17 0.867 11.938 5.910 1.00 0.00 H new ATOM 0 HA THR A 17 1.849 9.244 5.367 1.00 0.00 H new ATOM 0 HB THR A 17 0.604 10.488 7.852 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.820 10.389 8.612 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.438 8.483 9.022 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.245 8.065 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.979 7.806 7.467 1.00 0.00 H new ATOM 209 N LEU A 18 -0.319 8.169 4.837 1.00 0.00 N ATOM 210 CA LEU A 18 -1.575 7.501 4.511 1.00 0.00 C ATOM 211 C LEU A 18 -1.846 6.352 5.477 1.00 0.00 C ATOM 212 O LEU A 18 -0.919 5.702 5.960 1.00 0.00 O ATOM 213 CB LEU A 18 -1.539 6.978 3.074 1.00 0.00 C ATOM 214 CG LEU A 18 -0.908 7.907 2.037 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.730 7.184 0.711 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.756 9.158 1.855 1.00 0.00 C ATOM 0 H LEU A 18 0.509 7.730 4.435 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.381 8.228 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.994 6.034 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.560 6.759 2.763 1.00 0.00 H new ATOM 0 HG LEU A 18 0.075 8.208 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.280 7.861 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.081 6.319 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.701 6.853 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.291 9.808 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.753 8.876 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.832 9.688 2.805 1.00 0.00 H new ATOM 228 N VAL A 19 -3.123 6.105 5.752 1.00 0.00 N ATOM 229 CA VAL A 19 -3.517 5.032 6.656 1.00 0.00 C ATOM 230 C VAL A 19 -4.259 3.929 5.910 1.00 0.00 C ATOM 231 O VAL A 19 -5.302 4.169 5.301 1.00 0.00 O ATOM 232 CB VAL A 19 -4.411 5.558 7.795 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.530 4.522 8.902 1.00 0.00 C ATOM 234 CG2 VAL A 19 -3.865 6.870 8.338 1.00 0.00 C ATOM 0 H VAL A 19 -3.902 6.634 5.361 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.600 4.624 7.082 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.408 5.744 7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.165 4.911 9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.970 3.609 8.500 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.540 4.302 9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.509 7.227 9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.857 6.713 8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.837 7.611 7.539 1.00 0.00 H new ATOM 244 N LEU A 20 -3.715 2.718 5.962 1.00 0.00 N ATOM 245 CA LEU A 20 -4.325 1.576 5.291 1.00 0.00 C ATOM 246 C LEU A 20 -5.225 0.800 6.247 1.00 0.00 C ATOM 247 O LEU A 20 -4.919 0.665 7.432 1.00 0.00 O ATOM 248 CB LEU A 20 -3.244 0.652 4.728 1.00 0.00 C ATOM 249 CG LEU A 20 -3.718 -0.408 3.732 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.613 -0.741 2.741 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.175 -1.661 4.465 1.00 0.00 C ATOM 0 H LEU A 20 -2.853 2.502 6.462 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.936 1.952 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.487 1.266 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.756 0.146 5.561 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.566 -0.006 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.968 -1.497 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.332 0.159 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.745 -1.124 3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.509 -2.405 3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.346 -2.066 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.998 -1.411 5.134 1.00 0.00 H new ATOM 263 N SER A 21 -6.336 0.290 5.724 1.00 0.00 N ATOM 264 CA SER A 21 -7.282 -0.471 6.532 1.00 0.00 C ATOM 265 C SER A 21 -7.664 -1.774 5.837 1.00 0.00 C ATOM 266 O SER A 21 -7.721 -1.842 4.610 1.00 0.00 O ATOM 267 CB SER A 21 -8.536 0.361 6.807 1.00 0.00 C ATOM 268 OG SER A 21 -8.233 1.490 7.607 1.00 0.00 O ATOM 0 H SER A 21 -6.603 0.390 4.745 1.00 0.00 H new ATOM 0 HA SER A 21 -6.801 -0.712 7.480 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.974 0.687 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.282 -0.255 7.309 1.00 0.00 H new ATOM 0 HG SER A 21 -9.050 2.006 7.767 1.00 0.00 H new ATOM 274 N ASN A 22 -7.925 -2.807 6.631 1.00 0.00 N ATOM 275 CA ASN A 22 -8.302 -4.109 6.093 1.00 0.00 C ATOM 276 C ASN A 22 -7.090 -4.828 5.509 1.00 0.00 C ATOM 277 O ASN A 22 -7.202 -5.557 4.522 1.00 0.00 O ATOM 278 CB ASN A 22 -9.380 -3.948 5.019 1.00 0.00 C ATOM 279 CG ASN A 22 -10.263 -5.175 4.897 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.075 -5.459 5.778 1.00 0.00 O ATOM 281 ND2 ASN A 22 -10.106 -5.910 3.802 1.00 0.00 N ATOM 0 H ASN A 22 -7.882 -2.768 7.649 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.700 -4.710 6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.998 -3.081 5.255 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.905 -3.749 4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.671 -6.748 3.665 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.421 -5.636 3.098 1.00 0.00 H new ATOM 288 N LEU A 23 -5.931 -4.618 6.124 1.00 0.00 N ATOM 289 CA LEU A 23 -4.697 -5.246 5.666 1.00 0.00 C ATOM 290 C LEU A 23 -4.655 -6.718 6.064 1.00 0.00 C ATOM 291 O LEU A 23 -4.965 -7.074 7.201 1.00 0.00 O ATOM 292 CB LEU A 23 -3.484 -4.515 6.245 1.00 0.00 C ATOM 293 CG LEU A 23 -2.191 -4.614 5.435 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.084 -3.807 6.096 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.772 -6.068 5.275 1.00 0.00 C ATOM 0 H LEU A 23 -5.820 -4.018 6.941 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.668 -5.181 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.739 -3.461 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.293 -4.905 7.245 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.373 -4.198 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.171 -3.889 5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.383 -2.761 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.903 -4.192 7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.850 -6.119 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.608 -6.510 6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.557 -6.618 4.756 1.00 0.00 H new ATOM 307 N SER A 24 -4.268 -7.570 5.119 1.00 0.00 N ATOM 308 CA SER A 24 -4.187 -9.004 5.370 1.00 0.00 C ATOM 309 C SER A 24 -2.956 -9.341 6.206 1.00 0.00 C ATOM 310 O SER A 24 -1.863 -8.833 5.955 1.00 0.00 O ATOM 311 CB SER A 24 -4.145 -9.773 4.048 1.00 0.00 C ATOM 312 OG SER A 24 -4.272 -11.168 4.265 1.00 0.00 O ATOM 0 H SER A 24 -4.006 -7.292 4.173 1.00 0.00 H new ATOM 0 HA SER A 24 -5.076 -9.301 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.949 -9.428 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.207 -9.566 3.533 1.00 0.00 H new ATOM 0 HG SER A 24 -3.792 -11.653 3.562 1.00 0.00 H new ATOM 318 N TYR A 25 -3.142 -10.200 7.202 1.00 0.00 N ATOM 319 CA TYR A 25 -2.048 -10.603 8.078 1.00 0.00 C ATOM 320 C TYR A 25 -0.908 -11.225 7.276 1.00 0.00 C ATOM 321 O TYR A 25 0.248 -11.200 7.698 1.00 0.00 O ATOM 322 CB TYR A 25 -2.548 -11.596 9.129 1.00 0.00 C ATOM 323 CG TYR A 25 -3.989 -11.378 9.532 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.324 -10.443 10.504 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.014 -12.105 8.941 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.639 -10.240 10.877 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.332 -11.908 9.306 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.639 -10.974 10.274 1.00 0.00 C ATOM 329 OH TYR A 25 -7.950 -10.776 10.642 1.00 0.00 O ATOM 0 H TYR A 25 -4.040 -10.631 7.423 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.671 -9.712 8.580 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.437 -12.609 8.741 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.917 -11.523 10.015 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.543 -9.865 10.976 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.777 -12.837 8.183 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.882 -9.511 11.636 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.117 -12.482 8.836 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.529 -11.371 10.122 1.00 0.00 H new ATOM 339 N SER A 26 -1.244 -11.781 6.116 1.00 0.00 N ATOM 340 CA SER A 26 -0.251 -12.412 5.255 1.00 0.00 C ATOM 341 C SER A 26 0.566 -11.362 4.509 1.00 0.00 C ATOM 342 O SER A 26 1.626 -11.660 3.958 1.00 0.00 O ATOM 343 CB SER A 26 -0.933 -13.349 4.256 1.00 0.00 C ATOM 344 OG SER A 26 -0.086 -14.432 3.914 1.00 0.00 O ATOM 0 H SER A 26 -2.196 -11.807 5.751 1.00 0.00 H new ATOM 0 HA SER A 26 0.424 -12.993 5.884 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.860 -13.729 4.684 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.201 -12.794 3.357 1.00 0.00 H new ATOM 0 HG SER A 26 -0.545 -15.017 3.276 1.00 0.00 H new ATOM 350 N ALA A 27 0.065 -10.131 4.494 1.00 0.00 N ATOM 351 CA ALA A 27 0.748 -9.035 3.818 1.00 0.00 C ATOM 352 C ALA A 27 1.777 -8.382 4.733 1.00 0.00 C ATOM 353 O ALA A 27 1.540 -8.210 5.929 1.00 0.00 O ATOM 354 CB ALA A 27 -0.260 -8.004 3.332 1.00 0.00 C ATOM 0 H ALA A 27 -0.812 -9.868 4.943 1.00 0.00 H new ATOM 0 HA ALA A 27 1.275 -9.445 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.264 -7.191 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.954 -8.474 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.813 -7.607 4.183 1.00 0.00 H new ATOM 360 N THR A 28 2.923 -8.018 4.164 1.00 0.00 N ATOM 361 CA THR A 28 3.989 -7.385 4.929 1.00 0.00 C ATOM 362 C THR A 28 4.572 -6.193 4.178 1.00 0.00 C ATOM 363 O THR A 28 4.243 -5.960 3.015 1.00 0.00 O ATOM 364 CB THR A 28 5.121 -8.381 5.245 1.00 0.00 C ATOM 365 OG1 THR A 28 5.805 -8.743 4.041 1.00 0.00 O ATOM 366 CG2 THR A 28 4.571 -9.629 5.918 1.00 0.00 C ATOM 0 H THR A 28 3.136 -8.151 3.175 1.00 0.00 H new ATOM 0 HA THR A 28 3.546 -7.041 5.863 1.00 0.00 H new ATOM 0 HB THR A 28 5.820 -7.898 5.928 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.524 -9.375 4.251 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.389 -10.318 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.077 -9.352 6.849 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.853 -10.113 5.256 1.00 0.00 H new ATOM 374 N GLU A 29 5.438 -5.442 4.850 1.00 0.00 N ATOM 375 CA GLU A 29 6.066 -4.273 4.244 1.00 0.00 C ATOM 376 C GLU A 29 6.588 -4.599 2.848 1.00 0.00 C ATOM 377 O GLU A 29 6.799 -3.704 2.030 1.00 0.00 O ATOM 378 CB GLU A 29 7.212 -3.769 5.124 1.00 0.00 C ATOM 379 CG GLU A 29 6.770 -3.341 6.513 1.00 0.00 C ATOM 380 CD GLU A 29 6.842 -4.471 7.522 1.00 0.00 C ATOM 381 OE1 GLU A 29 6.876 -5.645 7.098 1.00 0.00 O ATOM 382 OE2 GLU A 29 6.866 -4.180 8.737 1.00 0.00 O ATOM 0 H GLU A 29 5.721 -5.621 5.813 1.00 0.00 H new ATOM 0 HA GLU A 29 5.312 -3.490 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.961 -4.556 5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.695 -2.926 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.397 -2.516 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.748 -2.966 6.465 1.00 0.00 H new ATOM 389 N GLU A 30 6.794 -5.885 2.584 1.00 0.00 N ATOM 390 CA GLU A 30 7.292 -6.328 1.287 1.00 0.00 C ATOM 391 C GLU A 30 6.217 -6.186 0.214 1.00 0.00 C ATOM 392 O GLU A 30 6.491 -5.742 -0.902 1.00 0.00 O ATOM 393 CB GLU A 30 7.760 -7.783 1.366 1.00 0.00 C ATOM 394 CG GLU A 30 9.229 -7.931 1.726 1.00 0.00 C ATOM 395 CD GLU A 30 10.130 -7.062 0.869 1.00 0.00 C ATOM 396 OE1 GLU A 30 10.252 -7.345 -0.340 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.712 -6.098 1.410 1.00 0.00 O ATOM 0 H GLU A 30 6.624 -6.638 3.250 1.00 0.00 H new ATOM 0 HA GLU A 30 8.137 -5.696 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.158 -8.310 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.579 -8.267 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.370 -7.671 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.523 -8.975 1.614 1.00 0.00 H new ATOM 404 N THR A 31 4.990 -6.567 0.559 1.00 0.00 N ATOM 405 CA THR A 31 3.874 -6.484 -0.374 1.00 0.00 C ATOM 406 C THR A 31 3.436 -5.039 -0.581 1.00 0.00 C ATOM 407 O THR A 31 3.058 -4.645 -1.685 1.00 0.00 O ATOM 408 CB THR A 31 2.669 -7.309 0.117 1.00 0.00 C ATOM 409 OG1 THR A 31 3.082 -8.645 0.423 1.00 0.00 O ATOM 410 CG2 THR A 31 1.570 -7.341 -0.935 1.00 0.00 C ATOM 0 H THR A 31 4.745 -6.936 1.478 1.00 0.00 H new ATOM 0 HA THR A 31 4.223 -6.894 -1.322 1.00 0.00 H new ATOM 0 HB THR A 31 2.275 -6.836 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.311 -9.162 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.730 -7.929 -0.566 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.237 -6.324 -1.144 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.955 -7.792 -1.850 1.00 0.00 H new ATOM 418 N LEU A 32 3.489 -4.251 0.488 1.00 0.00 N ATOM 419 CA LEU A 32 3.098 -2.847 0.424 1.00 0.00 C ATOM 420 C LEU A 32 4.103 -2.039 -0.391 1.00 0.00 C ATOM 421 O LEU A 32 3.728 -1.127 -1.127 1.00 0.00 O ATOM 422 CB LEU A 32 2.981 -2.265 1.833 1.00 0.00 C ATOM 423 CG LEU A 32 2.125 -3.061 2.819 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.176 -2.429 4.201 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.689 -3.153 2.325 1.00 0.00 C ATOM 0 H LEU A 32 3.799 -4.561 1.409 1.00 0.00 H new ATOM 0 HA LEU A 32 2.127 -2.788 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.984 -2.168 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.570 -1.259 1.756 1.00 0.00 H new ATOM 0 HG LEU A 32 2.529 -4.071 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.561 -3.009 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.206 -2.416 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.798 -1.408 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.094 -3.723 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.274 -2.150 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.669 -3.652 1.356 1.00 0.00 H new ATOM 437 N GLN A 33 5.380 -2.382 -0.254 1.00 0.00 N ATOM 438 CA GLN A 33 6.438 -1.688 -0.979 1.00 0.00 C ATOM 439 C GLN A 33 6.212 -1.772 -2.485 1.00 0.00 C ATOM 440 O GLN A 33 6.734 -0.959 -3.246 1.00 0.00 O ATOM 441 CB GLN A 33 7.802 -2.281 -0.622 1.00 0.00 C ATOM 442 CG GLN A 33 8.463 -1.612 0.573 1.00 0.00 C ATOM 443 CD GLN A 33 9.336 -0.438 0.176 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.559 -0.558 0.097 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.711 0.706 -0.078 1.00 0.00 N ATOM 0 H GLN A 33 5.707 -3.135 0.351 1.00 0.00 H new ATOM 0 HA GLN A 33 6.417 -0.638 -0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.683 -3.344 -0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.462 -2.198 -1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.693 -1.270 1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.068 -2.345 1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.695 0.761 -0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.247 1.530 -0.351 1.00 0.00 H new ATOM 454 N GLU A 34 5.431 -2.762 -2.907 1.00 0.00 N ATOM 455 CA GLU A 34 5.138 -2.952 -4.322 1.00 0.00 C ATOM 456 C GLU A 34 3.988 -2.052 -4.766 1.00 0.00 C ATOM 457 O GLU A 34 4.020 -1.477 -5.854 1.00 0.00 O ATOM 458 CB GLU A 34 4.790 -4.416 -4.602 1.00 0.00 C ATOM 459 CG GLU A 34 5.922 -5.381 -4.292 1.00 0.00 C ATOM 460 CD GLU A 34 5.657 -6.779 -4.814 1.00 0.00 C ATOM 461 OE1 GLU A 34 4.880 -7.515 -4.170 1.00 0.00 O ATOM 462 OE2 GLU A 34 6.225 -7.138 -5.866 1.00 0.00 O ATOM 0 H GLU A 34 4.991 -3.444 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 34 6.028 -2.682 -4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.916 -4.692 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.512 -4.520 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.846 -5.003 -4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.073 -5.423 -3.213 1.00 0.00 H new ATOM 469 N VAL A 35 2.974 -1.934 -3.915 1.00 0.00 N ATOM 470 CA VAL A 35 1.815 -1.103 -4.217 1.00 0.00 C ATOM 471 C VAL A 35 2.164 0.379 -4.137 1.00 0.00 C ATOM 472 O VAL A 35 1.737 1.174 -4.973 1.00 0.00 O ATOM 473 CB VAL A 35 0.648 -1.397 -3.256 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.600 -0.639 -3.683 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.377 -2.892 -3.189 1.00 0.00 C ATOM 0 H VAL A 35 2.932 -2.404 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 35 1.508 -1.346 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 35 0.927 -1.057 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.414 -0.859 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.396 0.432 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.885 -0.946 -4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.451 -3.081 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.119 -3.260 -4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.268 -3.408 -2.831 1.00 0.00 H new ATOM 485 N PHE A 36 2.945 0.743 -3.125 1.00 0.00 N ATOM 486 CA PHE A 36 3.352 2.130 -2.934 1.00 0.00 C ATOM 487 C PHE A 36 4.838 2.306 -3.234 1.00 0.00 C ATOM 488 O PHE A 36 5.690 1.987 -2.406 1.00 0.00 O ATOM 489 CB PHE A 36 3.052 2.580 -1.503 1.00 0.00 C ATOM 490 CG PHE A 36 1.618 2.386 -1.102 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.668 3.353 -1.387 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.219 1.236 -0.440 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.652 3.178 -1.018 1.00 0.00 C ATOM 494 CE2 PHE A 36 -0.100 1.054 -0.069 1.00 0.00 C ATOM 495 CZ PHE A 36 -1.037 2.026 -0.360 1.00 0.00 C ATOM 0 H PHE A 36 3.309 0.097 -2.425 1.00 0.00 H new ATOM 0 HA PHE A 36 2.783 2.749 -3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.691 2.027 -0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.310 3.634 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.963 4.254 -1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.948 0.472 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.382 3.941 -1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.397 0.153 0.448 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.069 1.886 -0.074 1.00 0.00 H new ATOM 505 N GLU A 37 5.139 2.817 -4.424 1.00 0.00 N ATOM 506 CA GLU A 37 6.522 3.035 -4.833 1.00 0.00 C ATOM 507 C GLU A 37 7.050 4.357 -4.284 1.00 0.00 C ATOM 508 O GLU A 37 8.240 4.492 -3.997 1.00 0.00 O ATOM 509 CB GLU A 37 6.633 3.023 -6.359 1.00 0.00 C ATOM 510 CG GLU A 37 6.147 1.731 -6.995 1.00 0.00 C ATOM 511 CD GLU A 37 7.224 0.664 -7.041 1.00 0.00 C ATOM 512 OE1 GLU A 37 7.568 0.123 -5.970 1.00 0.00 O ATOM 513 OE2 GLU A 37 7.721 0.369 -8.148 1.00 0.00 O ATOM 0 H GLU A 37 4.445 3.087 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 37 7.127 2.225 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.058 3.856 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.673 3.188 -6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.291 1.354 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.800 1.937 -8.008 1.00 0.00 H new ATOM 520 N LYS A 38 6.157 5.330 -4.141 1.00 0.00 N ATOM 521 CA LYS A 38 6.531 6.642 -3.626 1.00 0.00 C ATOM 522 C LYS A 38 6.617 6.624 -2.103 1.00 0.00 C ATOM 523 O LYS A 38 7.224 7.506 -1.496 1.00 0.00 O ATOM 524 CB LYS A 38 5.518 7.697 -4.077 1.00 0.00 C ATOM 525 CG LYS A 38 5.271 7.701 -5.576 1.00 0.00 C ATOM 526 CD LYS A 38 6.243 8.619 -6.299 1.00 0.00 C ATOM 527 CE LYS A 38 5.694 9.061 -7.647 1.00 0.00 C ATOM 528 NZ LYS A 38 6.446 10.222 -8.198 1.00 0.00 N ATOM 0 H LYS A 38 5.169 5.235 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 38 7.513 6.895 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.573 7.525 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.872 8.682 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.369 6.687 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.249 8.022 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.445 9.495 -5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.193 8.104 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.744 8.229 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.642 9.327 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.042 10.493 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.378 11.024 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.445 9.961 -8.323 1.00 0.00 H new ATOM 542 N ALA A 39 6.008 5.614 -1.492 1.00 0.00 N ATOM 543 CA ALA A 39 6.019 5.480 -0.040 1.00 0.00 C ATOM 544 C ALA A 39 7.443 5.532 0.504 1.00 0.00 C ATOM 545 O ALA A 39 8.198 4.566 0.390 1.00 0.00 O ATOM 546 CB ALA A 39 5.340 4.183 0.375 1.00 0.00 C ATOM 0 H ALA A 39 5.500 4.876 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 39 5.465 6.318 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.355 4.096 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.308 4.185 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.870 3.338 -0.064 1.00 0.00 H new ATOM 552 N THR A 40 7.803 6.666 1.097 1.00 0.00 N ATOM 553 CA THR A 40 9.137 6.845 1.658 1.00 0.00 C ATOM 554 C THR A 40 9.367 5.907 2.837 1.00 0.00 C ATOM 555 O THR A 40 10.502 5.707 3.272 1.00 0.00 O ATOM 556 CB THR A 40 9.362 8.297 2.119 1.00 0.00 C ATOM 557 OG1 THR A 40 8.496 8.602 3.217 1.00 0.00 O ATOM 558 CG2 THR A 40 9.108 9.272 0.980 1.00 0.00 C ATOM 0 H THR A 40 7.190 7.474 1.201 1.00 0.00 H new ATOM 0 HA THR A 40 9.848 6.609 0.866 1.00 0.00 H new ATOM 0 HB THR A 40 10.400 8.397 2.437 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.646 9.527 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.273 10.291 1.330 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.789 9.056 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.079 9.169 0.636 1.00 0.00 H new ATOM 566 N PHE A 41 8.284 5.334 3.352 1.00 0.00 N ATOM 567 CA PHE A 41 8.369 4.417 4.483 1.00 0.00 C ATOM 568 C PHE A 41 7.025 3.740 4.736 1.00 0.00 C ATOM 569 O PHE A 41 5.978 4.388 4.713 1.00 0.00 O ATOM 570 CB PHE A 41 8.821 5.164 5.740 1.00 0.00 C ATOM 571 CG PHE A 41 9.368 4.262 6.809 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.697 3.868 6.788 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.555 3.808 7.834 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.203 3.038 7.770 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.056 2.978 8.819 1.00 0.00 C ATOM 576 CZ PHE A 41 10.382 2.593 8.787 1.00 0.00 C ATOM 0 H PHE A 41 7.338 5.488 3.004 1.00 0.00 H new ATOM 0 HA PHE A 41 9.104 3.649 4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.584 5.893 5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.977 5.723 6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.344 4.214 5.995 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.517 4.106 7.864 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.240 2.738 7.742 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.411 2.631 9.613 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.776 1.945 9.556 1.00 0.00 H new ATOM 586 N ILE A 42 7.063 2.434 4.976 1.00 0.00 N ATOM 587 CA ILE A 42 5.850 1.669 5.233 1.00 0.00 C ATOM 588 C ILE A 42 5.932 0.942 6.571 1.00 0.00 C ATOM 589 O ILE A 42 6.957 0.348 6.907 1.00 0.00 O ATOM 590 CB ILE A 42 5.585 0.640 4.118 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.317 1.352 2.791 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.414 -0.256 4.491 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.237 0.414 1.607 1.00 0.00 C ATOM 0 H ILE A 42 7.921 1.883 4.998 1.00 0.00 H new ATOM 0 HA ILE A 42 5.027 2.383 5.259 1.00 0.00 H new ATOM 0 HB ILE A 42 6.471 0.016 4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.382 1.907 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.107 2.082 2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.239 -0.978 3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.641 -0.786 5.416 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.521 0.352 4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.045 0.988 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.180 -0.123 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.428 -0.300 1.762 1.00 0.00 H new ATOM 605 N LYS A 43 4.844 0.990 7.332 1.00 0.00 N ATOM 606 CA LYS A 43 4.789 0.334 8.633 1.00 0.00 C ATOM 607 C LYS A 43 3.545 -0.541 8.750 1.00 0.00 C ATOM 608 O LYS A 43 2.437 -0.106 8.437 1.00 0.00 O ATOM 609 CB LYS A 43 4.800 1.376 9.754 1.00 0.00 C ATOM 610 CG LYS A 43 5.234 0.819 11.099 1.00 0.00 C ATOM 611 CD LYS A 43 6.747 0.759 11.215 1.00 0.00 C ATOM 612 CE LYS A 43 7.183 -0.133 12.368 1.00 0.00 C ATOM 613 NZ LYS A 43 8.636 0.009 12.660 1.00 0.00 N ATOM 0 H LYS A 43 3.987 1.477 7.070 1.00 0.00 H new ATOM 0 HA LYS A 43 5.669 -0.302 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.468 2.190 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.802 1.802 9.852 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.831 1.441 11.898 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.818 -0.180 11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.170 0.383 10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.142 1.764 11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.607 0.118 13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.961 -1.173 12.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.894 -0.615 13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.187 -0.255 11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.844 0.996 12.915 1.00 0.00 H new ATOM 627 N VAL A 44 3.736 -1.776 9.204 1.00 0.00 N ATOM 628 CA VAL A 44 2.629 -2.711 9.364 1.00 0.00 C ATOM 629 C VAL A 44 2.678 -3.393 10.726 1.00 0.00 C ATOM 630 O VAL A 44 3.408 -4.362 10.937 1.00 0.00 O ATOM 631 CB VAL A 44 2.639 -3.787 8.262 1.00 0.00 C ATOM 632 CG1 VAL A 44 3.982 -4.502 8.226 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.504 -4.778 8.475 1.00 0.00 C ATOM 0 H VAL A 44 4.647 -2.152 9.467 1.00 0.00 H new ATOM 0 HA VAL A 44 1.710 -2.130 9.285 1.00 0.00 H new ATOM 0 HB VAL A 44 2.488 -3.298 7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.970 -5.259 7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.773 -3.780 8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.166 -4.980 9.188 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.526 -5.531 7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.621 -5.263 9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.550 -4.251 8.446 1.00 0.00 H new ATOM 643 N PRO A 45 1.884 -2.876 11.676 1.00 0.00 N ATOM 644 CA PRO A 45 1.818 -3.421 13.035 1.00 0.00 C ATOM 645 C PRO A 45 1.147 -4.789 13.080 1.00 0.00 C ATOM 646 O PRO A 45 0.000 -4.941 12.660 1.00 0.00 O ATOM 647 CB PRO A 45 0.978 -2.388 13.791 1.00 0.00 C ATOM 648 CG PRO A 45 0.147 -1.736 12.741 1.00 0.00 C ATOM 649 CD PRO A 45 0.988 -1.722 11.495 1.00 0.00 C ATOM 0 HA PRO A 45 2.810 -3.578 13.459 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.356 -2.862 14.550 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.610 -1.662 14.304 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.780 -2.286 12.580 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.130 -0.724 13.036 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.378 -1.824 10.597 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.546 -0.791 11.397 1.00 0.00 H new ATOM 657 N GLN A 46 1.869 -5.781 13.591 1.00 0.00 N ATOM 658 CA GLN A 46 1.342 -7.137 13.690 1.00 0.00 C ATOM 659 C GLN A 46 1.197 -7.560 15.148 1.00 0.00 C ATOM 660 O GLN A 46 1.628 -6.851 16.056 1.00 0.00 O ATOM 661 CB GLN A 46 2.255 -8.117 12.950 1.00 0.00 C ATOM 662 CG GLN A 46 2.500 -7.742 11.498 1.00 0.00 C ATOM 663 CD GLN A 46 3.245 -8.819 10.735 1.00 0.00 C ATOM 664 OE1 GLN A 46 3.817 -9.734 11.329 1.00 0.00 O ATOM 665 NE2 GLN A 46 3.242 -8.717 9.411 1.00 0.00 N ATOM 0 H GLN A 46 2.820 -5.671 13.943 1.00 0.00 H new ATOM 0 HA GLN A 46 0.355 -7.151 13.227 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.212 -8.172 13.469 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.814 -9.113 12.990 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.544 -7.551 11.010 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.069 -6.813 11.458 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.755 -7.942 8.960 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.727 -9.413 8.845 1.00 0.00 H new ATOM 726 N LYS A 51 0.579 -11.162 13.043 1.00 0.00 N ATOM 727 CA LYS A 51 -0.589 -10.907 12.208 1.00 0.00 C ATOM 728 C LYS A 51 -0.929 -9.421 12.186 1.00 0.00 C ATOM 729 O LYS A 51 -1.174 -8.815 13.230 1.00 0.00 O ATOM 730 CB LYS A 51 -1.789 -11.709 12.716 1.00 0.00 C ATOM 731 CG LYS A 51 -1.730 -13.185 12.361 1.00 0.00 C ATOM 732 CD LYS A 51 -2.911 -13.946 12.940 1.00 0.00 C ATOM 733 CE LYS A 51 -2.720 -14.227 14.422 1.00 0.00 C ATOM 734 NZ LYS A 51 -4.015 -14.493 15.107 1.00 0.00 N ATOM 0 HA LYS A 51 -0.353 -11.222 11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.851 -11.607 13.799 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.702 -11.281 12.303 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.719 -13.299 11.277 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.801 -13.613 12.736 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.824 -13.370 12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.038 -14.886 12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.060 -15.085 14.547 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.228 -13.376 14.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.842 -14.680 16.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.636 -13.664 15.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.473 -15.321 14.675 1.00 0.00 H new ATOM 748 N SER A 52 -0.944 -8.839 10.992 1.00 0.00 N ATOM 749 CA SER A 52 -1.253 -7.422 10.835 1.00 0.00 C ATOM 750 C SER A 52 -2.567 -7.073 11.526 1.00 0.00 C ATOM 751 O SER A 52 -3.635 -7.536 11.125 1.00 0.00 O ATOM 752 CB SER A 52 -1.330 -7.056 9.351 1.00 0.00 C ATOM 753 OG SER A 52 -0.105 -7.332 8.694 1.00 0.00 O ATOM 0 H SER A 52 -0.746 -9.326 10.118 1.00 0.00 H new ATOM 0 HA SER A 52 -0.453 -6.847 11.302 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.135 -7.616 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.573 -5.999 9.246 1.00 0.00 H new ATOM 0 HG SER A 52 -0.281 -7.571 7.760 1.00 0.00 H new ATOM 759 N LYS A 53 -2.481 -6.252 12.567 1.00 0.00 N ATOM 760 CA LYS A 53 -3.662 -5.838 13.315 1.00 0.00 C ATOM 761 C LYS A 53 -4.836 -5.576 12.377 1.00 0.00 C ATOM 762 O LYS A 53 -5.996 -5.684 12.773 1.00 0.00 O ATOM 763 CB LYS A 53 -3.359 -4.580 14.133 1.00 0.00 C ATOM 764 CG LYS A 53 -2.142 -4.719 15.032 1.00 0.00 C ATOM 765 CD LYS A 53 -2.180 -3.721 16.178 1.00 0.00 C ATOM 766 CE LYS A 53 -1.420 -4.236 17.390 1.00 0.00 C ATOM 767 NZ LYS A 53 -1.916 -3.628 18.656 1.00 0.00 N ATOM 0 H LYS A 53 -1.605 -5.860 12.912 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.934 -6.648 13.992 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.204 -3.743 13.453 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.227 -4.337 14.746 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.097 -5.732 15.432 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.236 -4.567 14.446 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.749 -2.774 15.852 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.215 -3.522 16.454 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.517 -5.320 17.446 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.359 -4.017 17.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.372 -4.005 19.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.800 -2.595 18.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.922 -3.859 18.781 1.00 0.00 H new ATOM 781 N GLY A 54 -4.527 -5.232 11.130 1.00 0.00 N ATOM 782 CA GLY A 54 -5.567 -4.961 10.155 1.00 0.00 C ATOM 783 C GLY A 54 -5.409 -3.603 9.501 1.00 0.00 C ATOM 784 O GLY A 54 -6.249 -3.190 8.701 1.00 0.00 O ATOM 0 H GLY A 54 -3.574 -5.136 10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.551 -5.735 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.541 -5.015 10.642 1.00 0.00 H new ATOM 788 N TYR A 55 -4.332 -2.905 9.842 1.00 0.00 N ATOM 789 CA TYR A 55 -4.069 -1.583 9.286 1.00 0.00 C ATOM 790 C TYR A 55 -2.570 -1.338 9.149 1.00 0.00 C ATOM 791 O TYR A 55 -1.755 -2.084 9.691 1.00 0.00 O ATOM 792 CB TYR A 55 -4.696 -0.502 10.167 1.00 0.00 C ATOM 793 CG TYR A 55 -4.516 -0.748 11.648 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.345 -1.629 12.332 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.517 -0.099 12.364 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.184 -1.857 13.685 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.349 -0.322 13.717 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.185 -1.202 14.373 1.00 0.00 C ATOM 799 OH TYR A 55 -4.021 -1.425 15.721 1.00 0.00 O ATOM 0 H TYR A 55 -3.626 -3.233 10.501 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.518 -1.538 8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.257 0.463 9.912 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.761 -0.437 9.945 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.129 -2.144 11.797 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.861 0.591 11.854 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.837 -2.545 14.201 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.567 0.190 14.258 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.272 -0.887 16.053 1.00 0.00 H new ATOM 809 N ALA A 56 -2.213 -0.285 8.420 1.00 0.00 N ATOM 810 CA ALA A 56 -0.812 0.061 8.214 1.00 0.00 C ATOM 811 C ALA A 56 -0.630 1.572 8.113 1.00 0.00 C ATOM 812 O ALA A 56 -1.594 2.312 7.916 1.00 0.00 O ATOM 813 CB ALA A 56 -0.279 -0.621 6.963 1.00 0.00 C ATOM 0 H ALA A 56 -2.874 0.343 7.963 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.245 -0.291 9.076 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.768 -0.354 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.366 -1.702 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.857 -0.296 6.098 1.00 0.00 H new ATOM 819 N PHE A 57 0.612 2.024 8.250 1.00 0.00 N ATOM 820 CA PHE A 57 0.921 3.447 8.176 1.00 0.00 C ATOM 821 C PHE A 57 1.915 3.731 7.054 1.00 0.00 C ATOM 822 O PHE A 57 3.098 3.408 7.163 1.00 0.00 O ATOM 823 CB PHE A 57 1.487 3.938 9.511 1.00 0.00 C ATOM 824 CG PHE A 57 0.458 4.025 10.602 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.531 4.994 10.564 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.482 3.138 11.666 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.479 5.077 11.566 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.464 3.216 12.671 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.445 4.188 12.622 1.00 0.00 C ATOM 0 H PHE A 57 1.421 1.425 8.413 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.004 3.983 7.962 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.285 3.266 9.828 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.936 4.921 9.367 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.562 5.693 9.741 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.248 2.378 11.711 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.246 5.836 11.523 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.436 2.517 13.494 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.183 4.252 13.408 1.00 0.00 H new ATOM 839 N ILE A 58 1.426 4.336 5.977 1.00 0.00 N ATOM 840 CA ILE A 58 2.271 4.663 4.836 1.00 0.00 C ATOM 841 C ILE A 58 2.818 6.082 4.946 1.00 0.00 C ATOM 842 O ILE A 58 2.104 7.005 5.337 1.00 0.00 O ATOM 843 CB ILE A 58 1.503 4.523 3.508 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.598 3.290 3.545 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.474 4.439 2.340 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.305 2.035 4.006 1.00 0.00 C ATOM 0 H ILE A 58 0.449 4.610 5.871 1.00 0.00 H new ATOM 0 HA ILE A 58 3.099 3.955 4.844 1.00 0.00 H new ATOM 0 HB ILE A 58 0.878 5.406 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.244 3.487 4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.187 3.121 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.916 4.340 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.081 5.344 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.123 3.572 2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.603 1.201 4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.130 1.813 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.692 2.185 5.014 1.00 0.00 H new ATOM 858 N GLU A 59 4.090 6.249 4.597 1.00 0.00 N ATOM 859 CA GLU A 59 4.733 7.557 4.656 1.00 0.00 C ATOM 860 C GLU A 59 5.249 7.972 3.282 1.00 0.00 C ATOM 861 O GLU A 59 5.750 7.146 2.519 1.00 0.00 O ATOM 862 CB GLU A 59 5.885 7.538 5.662 1.00 0.00 C ATOM 863 CG GLU A 59 6.123 8.877 6.340 1.00 0.00 C ATOM 864 CD GLU A 59 5.333 9.029 7.625 1.00 0.00 C ATOM 865 OE1 GLU A 59 4.386 8.243 7.836 1.00 0.00 O ATOM 866 OE2 GLU A 59 5.663 9.934 8.420 1.00 0.00 O ATOM 0 H GLU A 59 4.695 5.496 4.271 1.00 0.00 H new ATOM 0 HA GLU A 59 3.989 8.285 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.679 6.786 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.798 7.232 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.186 8.987 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.853 9.680 5.655 1.00 0.00 H new ATOM 873 N PHE A 60 5.123 9.258 2.972 1.00 0.00 N ATOM 874 CA PHE A 60 5.575 9.784 1.690 1.00 0.00 C ATOM 875 C PHE A 60 6.375 11.070 1.880 1.00 0.00 C ATOM 876 O PHE A 60 6.590 11.518 3.006 1.00 0.00 O ATOM 877 CB PHE A 60 4.380 10.045 0.771 1.00 0.00 C ATOM 878 CG PHE A 60 3.594 8.807 0.444 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.802 8.199 1.405 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.648 8.251 -0.824 1.00 0.00 C ATOM 881 CE1 PHE A 60 2.077 7.061 1.107 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.925 7.113 -1.128 1.00 0.00 C ATOM 883 CZ PHE A 60 2.140 6.516 -0.161 1.00 0.00 C ATOM 0 H PHE A 60 4.711 9.955 3.592 1.00 0.00 H new ATOM 0 HA PHE A 60 6.223 9.039 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.719 10.771 1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.736 10.495 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.751 8.620 2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.262 8.712 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.462 6.598 1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.974 6.691 -2.121 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.577 5.625 -0.396 1.00 0.00 H new ATOM 893 N ALA A 61 6.812 11.657 0.771 1.00 0.00 N ATOM 894 CA ALA A 61 7.586 12.891 0.815 1.00 0.00 C ATOM 895 C ALA A 61 6.721 14.067 1.257 1.00 0.00 C ATOM 896 O ALA A 61 7.210 15.010 1.878 1.00 0.00 O ATOM 897 CB ALA A 61 8.208 13.173 -0.545 1.00 0.00 C ATOM 0 H ALA A 61 6.643 11.298 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 61 8.383 12.764 1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.783 14.098 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.867 12.350 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.420 13.274 -1.292 1.00 0.00 H new ATOM 903 N SER A 62 5.434 14.003 0.933 1.00 0.00 N ATOM 904 CA SER A 62 4.501 15.064 1.293 1.00 0.00 C ATOM 905 C SER A 62 3.073 14.684 0.914 1.00 0.00 C ATOM 906 O SER A 62 2.820 13.583 0.426 1.00 0.00 O ATOM 907 CB SER A 62 4.893 16.372 0.604 1.00 0.00 C ATOM 908 OG SER A 62 4.512 17.493 1.382 1.00 0.00 O ATOM 0 H SER A 62 5.013 13.227 0.422 1.00 0.00 H new ATOM 0 HA SER A 62 4.547 15.203 2.373 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.970 16.390 0.438 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.418 16.427 -0.376 1.00 0.00 H new ATOM 0 HG SER A 62 4.775 18.316 0.920 1.00 0.00 H new ATOM 914 N PHE A 63 2.142 15.605 1.143 1.00 0.00 N ATOM 915 CA PHE A 63 0.738 15.367 0.827 1.00 0.00 C ATOM 916 C PHE A 63 0.541 15.195 -0.676 1.00 0.00 C ATOM 917 O PHE A 63 -0.550 14.856 -1.134 1.00 0.00 O ATOM 918 CB PHE A 63 -0.124 16.524 1.337 1.00 0.00 C ATOM 919 CG PHE A 63 -1.494 16.566 0.723 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.437 15.600 1.036 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.840 17.571 -0.165 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.699 15.636 0.472 1.00 0.00 C ATOM 923 CE2 PHE A 63 -3.100 17.613 -0.732 1.00 0.00 C ATOM 924 CZ PHE A 63 -4.031 16.644 -0.412 1.00 0.00 C ATOM 0 H PHE A 63 2.334 16.522 1.546 1.00 0.00 H new ATOM 0 HA PHE A 63 0.430 14.447 1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.222 16.444 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.387 17.465 1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.183 14.810 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.116 18.332 -0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.425 14.876 0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.356 18.402 -1.424 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.017 16.675 -0.852 1.00 0.00 H new ATOM 934 N GLU A 64 1.605 15.431 -1.438 1.00 0.00 N ATOM 935 CA GLU A 64 1.548 15.302 -2.889 1.00 0.00 C ATOM 936 C GLU A 64 1.613 13.837 -3.309 1.00 0.00 C ATOM 937 O GLU A 64 0.661 13.299 -3.874 1.00 0.00 O ATOM 938 CB GLU A 64 2.694 16.081 -3.537 1.00 0.00 C ATOM 939 CG GLU A 64 2.341 17.522 -3.867 1.00 0.00 C ATOM 940 CD GLU A 64 1.240 17.630 -4.905 1.00 0.00 C ATOM 941 OE1 GLU A 64 1.177 16.758 -5.797 1.00 0.00 O ATOM 942 OE2 GLU A 64 0.442 18.587 -4.824 1.00 0.00 O ATOM 0 H GLU A 64 2.516 15.712 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 64 0.598 15.716 -3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.554 16.071 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.997 15.571 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.028 18.033 -2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.231 18.036 -4.231 1.00 0.00 H new ATOM 949 N ASP A 65 2.743 13.197 -3.029 1.00 0.00 N ATOM 950 CA ASP A 65 2.934 11.794 -3.376 1.00 0.00 C ATOM 951 C ASP A 65 1.914 10.913 -2.660 1.00 0.00 C ATOM 952 O ASP A 65 1.340 10.002 -3.255 1.00 0.00 O ATOM 953 CB ASP A 65 4.352 11.346 -3.020 1.00 0.00 C ATOM 954 CG ASP A 65 5.363 11.722 -4.085 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.040 12.582 -4.931 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.476 11.157 -4.073 1.00 0.00 O ATOM 0 H ASP A 65 3.541 13.628 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 65 2.788 11.689 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.644 11.796 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.363 10.265 -2.878 1.00 0.00 H new ATOM 961 N ALA A 66 1.695 11.192 -1.379 1.00 0.00 N ATOM 962 CA ALA A 66 0.744 10.426 -0.583 1.00 0.00 C ATOM 963 C ALA A 66 -0.632 10.407 -1.239 1.00 0.00 C ATOM 964 O ALA A 66 -1.274 9.360 -1.330 1.00 0.00 O ATOM 965 CB ALA A 66 0.652 10.999 0.824 1.00 0.00 C ATOM 0 H ALA A 66 2.163 11.942 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 66 1.103 9.399 -0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.062 10.418 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.632 10.954 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.320 12.036 0.774 1.00 0.00 H new ATOM 971 N LYS A 67 -1.081 11.571 -1.695 1.00 0.00 N ATOM 972 CA LYS A 67 -2.382 11.689 -2.344 1.00 0.00 C ATOM 973 C LYS A 67 -2.388 10.962 -3.685 1.00 0.00 C ATOM 974 O LYS A 67 -3.412 10.422 -4.103 1.00 0.00 O ATOM 975 CB LYS A 67 -2.741 13.163 -2.549 1.00 0.00 C ATOM 976 CG LYS A 67 -4.001 13.373 -3.369 1.00 0.00 C ATOM 977 CD LYS A 67 -5.233 12.861 -2.641 1.00 0.00 C ATOM 978 CE LYS A 67 -5.813 13.919 -1.715 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.443 15.035 -2.474 1.00 0.00 N ATOM 0 H LYS A 67 -0.563 12.447 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.127 11.227 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.868 13.636 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.909 13.666 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.121 14.434 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.903 12.860 -4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.987 12.559 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.973 11.974 -2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.554 13.461 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.024 14.315 -1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.105 15.545 -1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.705 15.689 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.959 14.651 -3.291 1.00 0.00 H new ATOM 993 N GLU A 68 -1.239 10.952 -4.353 1.00 0.00 N ATOM 994 CA GLU A 68 -1.115 10.290 -5.646 1.00 0.00 C ATOM 995 C GLU A 68 -1.402 8.796 -5.523 1.00 0.00 C ATOM 996 O GLU A 68 -2.114 8.221 -6.346 1.00 0.00 O ATOM 997 CB GLU A 68 0.287 10.505 -6.221 1.00 0.00 C ATOM 998 CG GLU A 68 0.585 9.643 -7.437 1.00 0.00 C ATOM 999 CD GLU A 68 -0.080 10.162 -8.697 1.00 0.00 C ATOM 1000 OE1 GLU A 68 -1.309 9.987 -8.833 1.00 0.00 O ATOM 1001 OE2 GLU A 68 0.627 10.743 -9.546 1.00 0.00 O ATOM 0 H GLU A 68 -0.382 11.394 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.849 10.729 -6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.402 11.554 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.024 10.294 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.663 9.599 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.249 8.624 -7.247 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.844 8.175 -4.490 1.00 0.00 N ATOM 1009 CA ALA A 69 -1.041 6.750 -4.257 1.00 0.00 C ATOM 1010 C ALA A 69 -2.364 6.488 -3.546 1.00 0.00 C ATOM 1011 O ALA A 69 -2.980 5.437 -3.727 1.00 0.00 O ATOM 1012 CB ALA A 69 0.116 6.182 -3.449 1.00 0.00 C ATOM 0 H ALA A 69 -0.251 8.637 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.073 6.250 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.045 5.117 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.048 6.327 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.175 6.694 -2.489 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.796 7.448 -2.736 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.047 7.320 -1.996 1.00 0.00 C ATOM 1020 C LEU A 70 -5.245 7.398 -2.937 1.00 0.00 C ATOM 1021 O LEU A 70 -6.318 6.877 -2.634 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.147 8.415 -0.933 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.560 8.880 -0.579 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.315 7.783 0.155 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.510 10.149 0.260 1.00 0.00 C ATOM 0 H LEU A 70 -2.299 8.324 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.055 6.346 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.666 8.055 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.577 9.279 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.091 9.101 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.318 8.132 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.382 6.900 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.786 7.529 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.525 10.465 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.961 9.955 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.009 10.937 -0.302 1.00 0.00 H new ATOM 1037 N ASN A 71 -5.054 8.050 -4.079 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.119 8.193 -5.065 1.00 0.00 C ATOM 1039 C ASN A 71 -6.215 6.953 -5.947 1.00 0.00 C ATOM 1040 O ASN A 71 -7.298 6.582 -6.400 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.878 9.432 -5.930 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.519 10.677 -5.349 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.551 10.604 -4.681 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.910 11.830 -5.603 1.00 0.00 N ATOM 0 H ASN A 71 -4.172 8.488 -4.345 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.062 8.309 -4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.805 9.595 -6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.274 9.256 -6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.296 12.701 -5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.056 11.844 -6.161 1.00 0.00 H new ATOM 1051 N SER A 72 -5.073 6.315 -6.187 1.00 0.00 N ATOM 1052 CA SER A 72 -5.027 5.118 -7.019 1.00 0.00 C ATOM 1053 C SER A 72 -5.140 3.859 -6.164 1.00 0.00 C ATOM 1054 O SER A 72 -6.126 3.125 -6.247 1.00 0.00 O ATOM 1055 CB SER A 72 -3.730 5.083 -7.829 1.00 0.00 C ATOM 1056 OG SER A 72 -3.894 5.724 -9.082 1.00 0.00 O ATOM 0 H SER A 72 -4.168 6.607 -5.817 1.00 0.00 H new ATOM 0 HA SER A 72 -5.874 5.149 -7.705 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.934 5.572 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.422 4.049 -7.984 1.00 0.00 H new ATOM 0 HG SER A 72 -3.051 5.690 -9.580 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.124 3.615 -5.344 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.107 2.444 -4.474 1.00 0.00 C ATOM 1064 C CYS A 73 -5.449 2.271 -3.770 1.00 0.00 C ATOM 1065 O CYS A 73 -5.823 1.163 -3.390 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.986 2.567 -3.441 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.345 2.815 -4.158 1.00 0.00 S ATOM 0 H CYS A 73 -3.301 4.212 -5.263 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.926 1.564 -5.092 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.210 3.401 -2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.971 1.666 -2.828 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.474 2.969 -3.205 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.167 3.376 -3.597 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.467 3.347 -2.936 1.00 0.00 C ATOM 1075 C ASN A 74 -8.222 2.066 -3.277 1.00 0.00 C ATOM 1076 O ASN A 74 -8.519 1.798 -4.441 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.297 4.566 -3.343 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.248 5.010 -2.248 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.438 5.212 -2.489 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.725 5.163 -1.037 1.00 0.00 N ATOM 0 H ASN A 74 -5.871 4.302 -3.905 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.300 3.373 -1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.629 5.389 -3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.867 4.330 -4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.316 5.459 -0.260 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.733 4.984 -0.884 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.531 1.277 -2.253 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.253 0.025 -2.441 1.00 0.00 C ATOM 1089 C LYS A 75 -8.452 -0.940 -3.309 1.00 0.00 C ATOM 1090 O LYS A 75 -8.944 -1.431 -4.325 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.618 0.291 -3.082 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.408 1.392 -2.396 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.420 2.022 -3.338 1.00 0.00 C ATOM 1094 CE LYS A 75 -13.078 3.242 -2.714 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.200 3.756 -3.548 1.00 0.00 N ATOM 0 H LYS A 75 -8.292 1.484 -1.283 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.400 -0.431 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.473 0.558 -4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.203 -0.629 -3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.924 0.984 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.724 2.158 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.925 2.309 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.183 1.288 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.451 2.986 -1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.334 4.028 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.622 4.588 -3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.840 4.024 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.922 3.015 -3.653 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.216 -1.209 -2.900 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.347 -2.116 -3.640 1.00 0.00 C ATOM 1111 C ARG A 76 -6.600 -3.564 -3.234 1.00 0.00 C ATOM 1112 O ARG A 76 -6.578 -3.899 -2.050 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.879 -1.757 -3.402 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.907 -2.593 -4.219 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.705 -2.012 -5.610 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.391 -2.341 -6.155 1.00 0.00 N ATOM 1117 CZ ARG A 76 -2.019 -2.059 -7.399 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.859 -1.447 -8.222 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.806 -2.391 -7.821 1.00 0.00 N ATOM 0 H ARG A 76 -6.794 -0.812 -2.060 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.573 -2.010 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.728 -0.704 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.651 -1.881 -2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.948 -2.646 -3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.282 -3.613 -4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.479 -2.391 -6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.820 -0.929 -5.571 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.722 -2.813 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.793 -1.192 -7.901 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.572 -1.231 -9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.158 -2.863 -7.190 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.521 -2.174 -8.776 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.841 -4.418 -4.224 1.00 0.00 N ATOM 1134 CA GLU A 77 -7.100 -5.830 -3.968 1.00 0.00 C ATOM 1135 C GLU A 77 -5.801 -6.579 -3.684 1.00 0.00 C ATOM 1136 O GLU A 77 -5.085 -6.972 -4.606 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.816 -6.465 -5.162 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.332 -6.419 -5.056 1.00 0.00 C ATOM 1139 CD GLU A 77 -10.014 -6.531 -6.406 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -10.209 -7.671 -6.878 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.352 -5.481 -6.989 1.00 0.00 O ATOM 0 H GLU A 77 -6.862 -4.157 -5.210 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.741 -5.901 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.508 -5.954 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.498 -7.503 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.672 -7.230 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.631 -5.486 -4.578 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.503 -6.772 -2.404 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.292 -7.473 -1.998 1.00 0.00 C ATOM 1150 C ILE A 78 -4.620 -8.675 -1.120 1.00 0.00 C ATOM 1151 O ILE A 78 -5.441 -8.583 -0.208 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.330 -6.542 -1.236 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -2.951 -5.341 -2.107 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -2.086 -7.303 -0.804 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -2.125 -4.304 -1.379 1.00 0.00 C ATOM 0 H ILE A 78 -6.085 -6.452 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.806 -7.815 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.835 -6.175 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.394 -5.693 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.861 -4.872 -2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.417 -6.631 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.372 -8.128 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.576 -7.696 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.893 -3.482 -2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.688 -3.924 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.198 -4.758 -1.029 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.971 -9.801 -1.400 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.194 -11.021 -0.634 1.00 0.00 C ATOM 1169 C GLU A 79 -5.640 -11.492 -0.769 1.00 0.00 C ATOM 1170 O GLU A 79 -6.174 -12.154 0.120 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.856 -10.793 0.841 1.00 0.00 C ATOM 1172 CG GLU A 79 -2.364 -10.782 1.129 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.665 -12.033 0.633 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -1.825 -13.095 1.271 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.959 -11.950 -0.393 1.00 0.00 O ATOM 0 H GLU A 79 -3.287 -9.893 -2.151 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.539 -11.795 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.286 -9.844 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.327 -11.574 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.913 -9.908 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.206 -10.683 2.203 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.267 -11.145 -1.888 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.644 -11.539 -2.120 1.00 0.00 C ATOM 1184 C GLY A 80 -8.634 -10.616 -1.436 1.00 0.00 C ATOM 1185 O GLY A 80 -9.846 -10.793 -1.562 1.00 0.00 O ATOM 0 H GLY A 80 -5.846 -10.598 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.841 -11.547 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.793 -12.557 -1.761 1.00 0.00 H new ATOM 1189 N ARG A 81 -8.117 -9.631 -0.709 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.964 -8.679 -0.001 1.00 0.00 C ATOM 1191 C ARG A 81 -8.623 -7.246 -0.398 1.00 0.00 C ATOM 1192 O ARG A 81 -7.464 -6.924 -0.659 1.00 0.00 O ATOM 1193 CB ARG A 81 -8.808 -8.852 1.511 1.00 0.00 C ATOM 1194 CG ARG A 81 -7.413 -9.284 1.934 1.00 0.00 C ATOM 1195 CD ARG A 81 -7.423 -9.929 3.311 1.00 0.00 C ATOM 1196 NE ARG A 81 -7.329 -8.938 4.380 1.00 0.00 N ATOM 1197 CZ ARG A 81 -8.381 -8.307 4.891 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -9.599 -8.562 4.433 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -8.215 -7.418 5.862 1.00 0.00 N ATOM 0 H ARG A 81 -7.116 -9.471 -0.595 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.000 -8.877 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.052 -7.911 2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -9.529 -9.591 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.012 -9.988 1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.750 -8.419 1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.338 -10.508 3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.590 -10.628 3.390 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.406 -8.718 4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.731 -9.244 3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.404 -8.076 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.280 -7.219 6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.023 -6.934 6.254 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.639 -6.391 -0.443 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.446 -4.993 -0.807 1.00 0.00 C ATOM 1215 C ALA A 82 -8.913 -4.187 0.373 1.00 0.00 C ATOM 1216 O ALA A 82 -9.228 -4.477 1.528 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.751 -4.394 -1.311 1.00 0.00 C ATOM 0 H ALA A 82 -10.605 -6.642 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.706 -4.950 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.592 -3.350 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.090 -4.946 -2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.507 -4.457 -0.528 1.00 0.00 H new ATOM 1223 N ILE A 83 -8.104 -3.176 0.075 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.528 -2.329 1.112 1.00 0.00 C ATOM 1225 C ILE A 83 -7.828 -0.857 0.849 1.00 0.00 C ATOM 1226 O ILE A 83 -7.573 -0.347 -0.242 1.00 0.00 O ATOM 1227 CB ILE A 83 -6.003 -2.521 1.213 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.313 -1.960 -0.033 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.665 -3.993 1.395 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.922 -0.504 0.097 1.00 0.00 C ATOM 0 H ILE A 83 -7.833 -2.924 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.987 -2.628 2.055 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.640 -1.975 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.421 -2.550 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.978 -2.074 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.584 -4.112 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.130 -4.363 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.038 -4.560 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.438 -0.174 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.813 0.098 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.232 -0.386 0.933 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.369 -0.180 1.856 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.703 1.234 1.734 1.00 0.00 C ATOM 1244 C ARG A 84 -7.632 2.104 2.386 1.00 0.00 C ATOM 1245 O ARG A 84 -6.988 1.694 3.352 1.00 0.00 O ATOM 1246 CB ARG A 84 -10.064 1.516 2.374 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.610 2.899 2.060 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.730 3.285 3.013 1.00 0.00 C ATOM 1249 NE ARG A 84 -13.039 2.870 2.515 1.00 0.00 N ATOM 1250 CZ ARG A 84 -13.694 3.507 1.551 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -13.164 4.582 0.983 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -14.881 3.069 1.152 1.00 0.00 N ATOM 0 H ARG A 84 -8.585 -0.588 2.766 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.750 1.480 0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.778 0.767 2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.978 1.406 3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.806 3.632 2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.979 2.921 1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -11.551 2.829 3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.724 4.365 3.161 1.00 0.00 H new ATOM 0 HE ARG A 84 -13.474 2.046 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.251 4.921 1.286 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.669 5.069 0.243 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -15.292 2.242 1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -15.383 3.559 0.412 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.448 3.306 1.851 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.455 4.234 2.380 1.00 0.00 C ATOM 1268 C LEU A 85 -7.103 5.557 2.778 1.00 0.00 C ATOM 1269 O LEU A 85 -8.002 6.048 2.095 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.357 4.483 1.345 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.568 3.252 0.895 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.088 3.420 -0.539 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.392 3.002 1.827 1.00 0.00 C ATOM 0 H LEU A 85 -7.973 3.661 1.052 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.013 3.785 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.811 4.940 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.656 5.209 1.756 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.229 2.386 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.529 2.535 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.947 3.549 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.444 4.297 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.842 2.123 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.731 3.868 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.759 2.836 2.840 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.639 6.129 3.884 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.173 7.395 4.371 1.00 0.00 C ATOM 1287 C GLU A 86 -6.074 8.241 5.007 1.00 0.00 C ATOM 1288 O GLU A 86 -5.268 7.742 5.794 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.292 7.146 5.384 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.671 7.046 4.756 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.787 7.151 5.777 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -11.106 8.286 6.191 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.341 6.101 6.163 1.00 0.00 O ATOM 0 H GLU A 86 -5.894 5.736 4.460 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.579 7.940 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.081 6.224 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.293 7.953 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.787 7.837 4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.757 6.097 4.226 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.047 9.523 4.661 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.047 10.440 5.198 1.00 0.00 C ATOM 1302 C LEU A 87 -5.147 10.527 6.717 1.00 0.00 C ATOM 1303 O LEU A 87 -6.234 10.708 7.267 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.218 11.830 4.583 1.00 0.00 C ATOM 1305 CG LEU A 87 -4.935 11.941 3.084 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.270 13.335 2.579 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.481 11.600 2.790 1.00 0.00 C ATOM 0 H LEU A 87 -6.706 9.952 4.011 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.061 10.054 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.240 12.162 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.559 12.521 5.109 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.569 11.226 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.062 13.395 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.326 13.542 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.663 14.069 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.297 11.684 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.830 12.291 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.274 10.580 3.115 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.008 10.400 7.389 1.00 0.00 N ATOM 1320 CA GLN A 88 -3.969 10.466 8.845 1.00 0.00 C ATOM 1321 C GLN A 88 -4.297 11.872 9.335 1.00 0.00 C ATOM 1322 O GLN A 88 -3.727 12.854 8.862 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.591 10.043 9.359 1.00 0.00 C ATOM 1324 CG GLN A 88 -2.587 9.637 10.824 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.195 9.634 11.424 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -0.858 10.488 12.245 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.377 8.670 11.017 1.00 0.00 N ATOM 0 H GLN A 88 -3.100 10.251 6.949 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.721 9.780 9.235 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.229 9.209 8.758 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.891 10.866 9.217 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.221 10.321 11.389 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.024 8.643 10.923 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.698 7.983 10.335 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.572 8.617 11.387 1.00 0.00 H new