USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 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 99 GLN : amide:sc= -3.06! K(o=-3.8!,f=-1.3) USER MOD Set 1.2: A 102 TYR OH : rot 1:sc= -0.751! USER MOD Set 2.1: A 79 ASN : amide:sc= -4.3! K(o=-8.7!,f=0.033) USER MOD Set 2.2: A 80 ASN : amide:sc= -4.4 K(o=-8.7,f=0.033) USER MOD Set 3.1: A 35 LYS NZ :NH3+ -172:sc= 0.0557 (180deg=0.0516) USER MOD Set 3.2: A 75 MET CE :methyl -135:sc=-0.00318 (180deg=-0.0842) USER MOD Set 4.1: A 30 SER OG : rot -149:sc= -0.226! USER MOD Set 4.2: A 31 GLN : amide:sc= -1.08 K(o=-2.3,f=-1.7) USER MOD Set 4.3: A 33 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0416 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -0.045 (180deg=-0.361) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.00033) USER MOD Single : A 51 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.5) USER MOD Single : A 52 TYR OH : rot -30:sc= -1.17 USER MOD Single : A 53 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.71) USER MOD Single : A 57 LYS NZ :NH3+ 144:sc= 1.17 (180deg=1.09) USER MOD Single : A 61 SER OG : rot 180:sc= -0.272 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 94:sc= 0.075 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.5!) USER MOD Single : A 74 THR OG1 : rot 133:sc= 1.07 USER MOD Single : A 84 ASN : amide:sc= -0.769 X(o=-0.77,f=-0.84!) USER MOD Single : A 85 THR OG1 : rot 65:sc= 0.133 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 22:sc= 0.0356 USER MOD Single : A 95 ASN : amide:sc= -11.2! C(o=-11!,f=-19!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -79:sc= 0.896 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 110 THR OG1 : rot -165:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 208 N VAL A 17 -12.805 -12.313 2.042 1.00 0.00 N ATOM 209 CA VAL A 17 -12.086 -11.093 1.695 1.00 0.00 C ATOM 210 C VAL A 17 -10.600 -11.368 1.493 1.00 0.00 C ATOM 211 O VAL A 17 -10.037 -12.310 2.052 1.00 0.00 O ATOM 212 CB VAL A 17 -12.254 -10.015 2.782 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.538 -9.229 2.560 1.00 0.00 C ATOM 214 CG2 VAL A 17 -12.238 -10.646 4.165 1.00 0.00 C ATOM 0 HA VAL A 17 -12.514 -10.728 0.762 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.415 -9.322 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.640 -8.472 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.504 -8.745 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.391 -9.907 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.358 -9.870 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.056 -11.362 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.289 -11.159 4.320 1.00 0.00 H new ATOM 224 N PRO A 18 -9.948 -10.528 0.677 1.00 0.00 N ATOM 225 CA PRO A 18 -8.518 -10.659 0.383 1.00 0.00 C ATOM 226 C PRO A 18 -7.646 -10.322 1.588 1.00 0.00 C ATOM 227 O PRO A 18 -7.961 -9.418 2.361 1.00 0.00 O ATOM 228 CB PRO A 18 -8.292 -9.646 -0.741 1.00 0.00 C ATOM 229 CG PRO A 18 -9.370 -8.632 -0.560 1.00 0.00 C ATOM 230 CD PRO A 18 -10.557 -9.383 -0.022 1.00 0.00 C ATOM 0 HA PRO A 18 -8.249 -11.680 0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.304 -9.191 -0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.355 -10.121 -1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.058 -7.849 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.611 -8.146 -1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.149 -8.767 0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.223 -9.708 -0.821 1.00 0.00 H new ATOM 238 N SER A 19 -6.547 -11.056 1.741 1.00 0.00 N ATOM 239 CA SER A 19 -5.631 -10.836 2.854 1.00 0.00 C ATOM 240 C SER A 19 -4.840 -9.546 2.661 1.00 0.00 C ATOM 241 O SER A 19 -4.860 -8.948 1.584 1.00 0.00 O ATOM 242 CB SER A 19 -4.671 -12.019 2.993 1.00 0.00 C ATOM 243 OG SER A 19 -3.961 -11.961 4.218 1.00 0.00 O ATOM 0 H SER A 19 -6.270 -11.807 1.109 1.00 0.00 H new ATOM 0 HA SER A 19 -6.222 -10.746 3.766 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.230 -12.953 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.967 -12.019 2.161 1.00 0.00 H new ATOM 0 HG SER A 19 -3.356 -12.729 4.282 1.00 0.00 H new ATOM 249 N SER A 20 -4.145 -9.123 3.711 1.00 0.00 N ATOM 250 CA SER A 20 -3.351 -7.901 3.660 1.00 0.00 C ATOM 251 C SER A 20 -2.263 -8.004 2.595 1.00 0.00 C ATOM 252 O SER A 20 -1.620 -9.042 2.425 1.00 0.00 O ATOM 253 CB SER A 20 -2.718 -7.621 5.024 1.00 0.00 C ATOM 254 OG SER A 20 -1.974 -8.737 5.481 1.00 0.00 O ATOM 0 H SER A 20 -4.115 -9.608 4.608 1.00 0.00 H new ATOM 0 HA SER A 20 -4.015 -7.077 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.066 -6.750 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.497 -7.379 5.747 1.00 0.00 H new ATOM 0 HG SER A 20 -1.579 -8.531 6.354 1.00 0.00 H new ATOM 260 N PRO A 21 -2.049 -6.904 1.858 1.00 0.00 N ATOM 261 CA PRO A 21 -1.040 -6.844 0.797 1.00 0.00 C ATOM 262 C PRO A 21 0.382 -6.870 1.348 1.00 0.00 C ATOM 263 O PRO A 21 0.596 -6.707 2.549 1.00 0.00 O ATOM 264 CB PRO A 21 -1.324 -5.506 0.112 1.00 0.00 C ATOM 265 CG PRO A 21 -1.983 -4.676 1.160 1.00 0.00 C ATOM 266 CD PRO A 21 -2.777 -5.633 2.006 1.00 0.00 C ATOM 0 HA PRO A 21 -1.101 -7.702 0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.405 -5.040 -0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.971 -5.635 -0.756 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.244 -4.145 1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.630 -3.922 0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.817 -5.312 3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.807 -5.717 1.659 1.00 0.00 H new ATOM 274 N TYR A 22 1.350 -7.077 0.462 1.00 0.00 N ATOM 275 CA TYR A 22 2.752 -7.126 0.860 1.00 0.00 C ATOM 276 C TYR A 22 3.636 -6.435 -0.173 1.00 0.00 C ATOM 277 O TYR A 22 3.152 -5.940 -1.191 1.00 0.00 O ATOM 278 CB TYR A 22 3.201 -8.577 1.045 1.00 0.00 C ATOM 279 CG TYR A 22 3.186 -9.382 -0.235 1.00 0.00 C ATOM 280 CD1 TYR A 22 4.267 -9.358 -1.108 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.091 -10.168 -0.571 1.00 0.00 C ATOM 282 CE1 TYR A 22 4.257 -10.092 -2.278 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.073 -10.907 -1.739 1.00 0.00 C ATOM 284 CZ TYR A 22 3.158 -10.865 -2.589 1.00 0.00 C ATOM 285 OH TYR A 22 3.145 -11.599 -3.753 1.00 0.00 O ATOM 0 H TYR A 22 1.190 -7.213 -0.536 1.00 0.00 H new ATOM 0 HA TYR A 22 2.853 -6.598 1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.209 -8.587 1.459 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.552 -9.059 1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.130 -8.755 -0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.239 -10.202 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.105 -10.061 -2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.214 -11.514 -1.984 1.00 0.00 H new ATOM 0 HH TYR A 22 2.299 -12.089 -3.821 1.00 0.00 H new ATOM 295 N GLY A 23 4.938 -6.408 0.095 1.00 0.00 N ATOM 296 CA GLY A 23 5.872 -5.776 -0.820 1.00 0.00 C ATOM 297 C GLY A 23 5.739 -4.266 -0.834 1.00 0.00 C ATOM 298 O GLY A 23 6.304 -3.593 -1.696 1.00 0.00 O ATOM 0 H GLY A 23 5.363 -6.812 0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.890 -6.045 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.707 -6.161 -1.826 1.00 0.00 H new ATOM 302 N VAL A 24 4.987 -3.731 0.124 1.00 0.00 N ATOM 303 CA VAL A 24 4.781 -2.291 0.218 1.00 0.00 C ATOM 304 C VAL A 24 6.076 -1.573 0.584 1.00 0.00 C ATOM 305 O VAL A 24 6.706 -1.881 1.595 1.00 0.00 O ATOM 306 CB VAL A 24 3.704 -1.946 1.263 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.408 -0.453 1.253 1.00 0.00 C ATOM 308 CG2 VAL A 24 2.438 -2.750 1.009 1.00 0.00 C ATOM 0 H VAL A 24 4.511 -4.273 0.845 1.00 0.00 H new ATOM 0 HA VAL A 24 4.447 -1.954 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 24 4.083 -2.210 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.645 -0.228 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.318 0.100 1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.049 -0.160 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.688 -2.493 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.054 -2.519 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.664 -3.814 1.072 1.00 0.00 H new ATOM 318 N LYS A 25 6.468 -0.614 -0.247 1.00 0.00 N ATOM 319 CA LYS A 25 7.687 0.151 -0.012 1.00 0.00 C ATOM 320 C LYS A 25 7.689 1.438 -0.832 1.00 0.00 C ATOM 321 O LYS A 25 7.276 1.446 -1.991 1.00 0.00 O ATOM 322 CB LYS A 25 8.916 -0.690 -0.361 1.00 0.00 C ATOM 323 CG LYS A 25 8.846 -1.328 -1.737 1.00 0.00 C ATOM 324 CD LYS A 25 9.444 -0.425 -2.803 1.00 0.00 C ATOM 325 CE LYS A 25 10.012 -1.230 -3.962 1.00 0.00 C ATOM 326 NZ LYS A 25 11.211 -2.014 -3.557 1.00 0.00 N ATOM 0 H LYS A 25 5.959 -0.348 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 25 7.723 0.415 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.804 -0.060 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.034 -1.473 0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.378 -2.279 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.807 -1.546 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.679 0.258 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.232 0.187 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.247 -1.907 -4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.277 -0.556 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.787 -2.226 -4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.775 -1.461 -2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.910 -2.904 -3.111 1.00 0.00 H new ATOM 340 N ILE A 26 8.157 2.522 -0.222 1.00 0.00 N ATOM 341 CA ILE A 26 8.214 3.813 -0.897 1.00 0.00 C ATOM 342 C ILE A 26 9.377 3.867 -1.883 1.00 0.00 C ATOM 343 O ILE A 26 10.541 3.779 -1.489 1.00 0.00 O ATOM 344 CB ILE A 26 8.355 4.969 0.110 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.213 4.930 1.127 1.00 0.00 C ATOM 346 CG2 ILE A 26 8.380 6.305 -0.618 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.889 4.505 0.533 1.00 0.00 C ATOM 0 H ILE A 26 8.502 2.532 0.738 1.00 0.00 H new ATOM 0 HA ILE A 26 7.275 3.927 -1.439 1.00 0.00 H new ATOM 0 HB ILE A 26 9.297 4.853 0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.478 4.244 1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.101 5.918 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.480 7.113 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.225 6.329 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.453 6.432 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.126 4.500 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.602 5.204 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.984 3.504 0.111 1.00 0.00 H new ATOM 359 N ILE A 27 9.054 4.012 -3.163 1.00 0.00 N ATOM 360 CA ILE A 27 10.072 4.081 -4.204 1.00 0.00 C ATOM 361 C ILE A 27 10.382 5.527 -4.575 1.00 0.00 C ATOM 362 O ILE A 27 11.532 5.878 -4.837 1.00 0.00 O ATOM 363 CB ILE A 27 9.635 3.320 -5.470 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.244 3.779 -5.912 1.00 0.00 C ATOM 365 CG2 ILE A 27 9.649 1.820 -5.218 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.869 3.315 -7.302 1.00 0.00 C ATOM 0 H ILE A 27 8.096 4.084 -3.505 1.00 0.00 H new ATOM 0 HA ILE A 27 10.969 3.612 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 27 10.341 3.540 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.505 3.408 -5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.201 4.868 -5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.338 1.296 -6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.657 1.506 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.963 1.581 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.871 3.677 -7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.586 3.708 -8.023 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.879 2.226 -7.337 1.00 0.00 H new ATOM 378 N GLU A 28 9.348 6.363 -4.594 1.00 0.00 N ATOM 379 CA GLU A 28 9.511 7.771 -4.932 1.00 0.00 C ATOM 380 C GLU A 28 8.937 8.664 -3.836 1.00 0.00 C ATOM 381 O GLU A 28 7.743 8.965 -3.827 1.00 0.00 O ATOM 382 CB GLU A 28 8.829 8.081 -6.266 1.00 0.00 C ATOM 383 CG GLU A 28 9.453 7.361 -7.451 1.00 0.00 C ATOM 384 CD GLU A 28 9.321 8.142 -8.743 1.00 0.00 C ATOM 385 OE1 GLU A 28 9.718 9.325 -8.764 1.00 0.00 O ATOM 386 OE2 GLU A 28 8.820 7.570 -9.734 1.00 0.00 O ATOM 0 H GLU A 28 8.389 6.089 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 28 10.578 7.975 -5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.776 7.807 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.868 9.156 -6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.508 7.180 -7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.979 6.387 -7.570 1.00 0.00 H new ATOM 393 N LEU A 29 9.795 9.083 -2.913 1.00 0.00 N ATOM 394 CA LEU A 29 9.375 9.941 -1.811 1.00 0.00 C ATOM 395 C LEU A 29 9.810 11.384 -2.047 1.00 0.00 C ATOM 396 O LEU A 29 10.959 11.646 -2.400 1.00 0.00 O ATOM 397 CB LEU A 29 9.957 9.432 -0.491 1.00 0.00 C ATOM 398 CG LEU A 29 9.740 10.327 0.729 1.00 0.00 C ATOM 399 CD1 LEU A 29 8.273 10.338 1.129 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.609 9.867 1.890 1.00 0.00 C ATOM 0 H LEU A 29 10.786 8.842 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 29 8.287 9.913 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.525 8.454 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.029 9.285 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 29 10.031 11.344 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.138 10.980 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.673 10.717 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.955 9.324 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.441 10.516 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.351 8.841 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.659 9.914 1.600 1.00 0.00 H new ATOM 412 N SER A 30 8.883 12.316 -1.848 1.00 0.00 N ATOM 413 CA SER A 30 9.171 13.733 -2.040 1.00 0.00 C ATOM 414 C SER A 30 8.888 14.522 -0.766 1.00 0.00 C ATOM 415 O SER A 30 8.575 13.948 0.276 1.00 0.00 O ATOM 416 CB SER A 30 8.336 14.291 -3.195 1.00 0.00 C ATOM 417 OG SER A 30 8.420 15.705 -3.248 1.00 0.00 O ATOM 0 H SER A 30 7.927 12.116 -1.554 1.00 0.00 H new ATOM 0 HA SER A 30 10.229 13.835 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.684 13.867 -4.137 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.295 13.990 -3.075 1.00 0.00 H new ATOM 0 HG SER A 30 7.583 16.069 -3.604 1.00 0.00 H new ATOM 423 N GLN A 31 9.004 15.844 -0.858 1.00 0.00 N ATOM 424 CA GLN A 31 8.762 16.713 0.287 1.00 0.00 C ATOM 425 C GLN A 31 7.267 16.890 0.531 1.00 0.00 C ATOM 426 O GLN A 31 6.804 16.855 1.671 1.00 0.00 O ATOM 427 CB GLN A 31 9.420 18.077 0.066 1.00 0.00 C ATOM 428 CG GLN A 31 9.499 18.485 -1.395 1.00 0.00 C ATOM 429 CD GLN A 31 10.792 18.046 -2.055 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.781 17.414 -3.111 1.00 0.00 O ATOM 431 NE2 GLN A 31 11.917 18.381 -1.433 1.00 0.00 N ATOM 0 H GLN A 31 9.264 16.335 -1.713 1.00 0.00 H new ATOM 0 HA GLN A 31 9.201 16.243 1.167 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.861 18.834 0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.426 18.057 0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.656 18.054 -1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.406 19.568 -1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.880 18.906 -0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.818 18.114 -1.829 1.00 0.00 H new ATOM 440 N THR A 32 6.515 17.080 -0.548 1.00 0.00 N ATOM 441 CA THR A 32 5.072 17.264 -0.453 1.00 0.00 C ATOM 442 C THR A 32 4.326 16.085 -1.065 1.00 0.00 C ATOM 443 O THR A 32 3.103 15.982 -0.951 1.00 0.00 O ATOM 444 CB THR A 32 4.623 18.561 -1.153 1.00 0.00 C ATOM 445 OG1 THR A 32 5.062 18.559 -2.516 1.00 0.00 O ATOM 446 CG2 THR A 32 5.179 19.782 -0.437 1.00 0.00 C ATOM 0 H THR A 32 6.882 17.111 -1.499 1.00 0.00 H new ATOM 0 HA THR A 32 4.832 17.331 0.608 1.00 0.00 H new ATOM 0 HB THR A 32 3.534 18.607 -1.123 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.771 19.386 -2.955 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.849 20.686 -0.949 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.819 19.796 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.268 19.741 -0.440 1.00 0.00 H new ATOM 454 N THR A 33 5.067 15.193 -1.715 1.00 0.00 N ATOM 455 CA THR A 33 4.475 14.021 -2.346 1.00 0.00 C ATOM 456 C THR A 33 5.200 12.746 -1.928 1.00 0.00 C ATOM 457 O THR A 33 6.352 12.789 -1.496 1.00 0.00 O ATOM 458 CB THR A 33 4.505 14.134 -3.881 1.00 0.00 C ATOM 459 OG1 THR A 33 5.649 14.889 -4.296 1.00 0.00 O ATOM 460 CG2 THR A 33 3.238 14.798 -4.399 1.00 0.00 C ATOM 0 H THR A 33 6.080 15.261 -1.818 1.00 0.00 H new ATOM 0 HA THR A 33 3.438 13.973 -2.013 1.00 0.00 H new ATOM 0 HB THR A 33 4.565 13.128 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.661 14.954 -5.274 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.282 14.867 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.371 14.205 -4.108 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.152 15.799 -3.975 1.00 0.00 H new ATOM 468 N ALA A 34 4.518 11.613 -2.059 1.00 0.00 N ATOM 469 CA ALA A 34 5.100 10.326 -1.697 1.00 0.00 C ATOM 470 C ALA A 34 4.370 9.180 -2.390 1.00 0.00 C ATOM 471 O ALA A 34 3.160 9.016 -2.234 1.00 0.00 O ATOM 472 CB ALA A 34 5.068 10.138 -0.188 1.00 0.00 C ATOM 0 H ALA A 34 3.563 11.560 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 34 6.137 10.317 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.506 9.173 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.639 10.934 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.036 10.172 0.161 1.00 0.00 H new ATOM 478 N LYS A 35 5.113 8.390 -3.158 1.00 0.00 N ATOM 479 CA LYS A 35 4.538 7.259 -3.875 1.00 0.00 C ATOM 480 C LYS A 35 4.737 5.963 -3.097 1.00 0.00 C ATOM 481 O LYS A 35 5.777 5.756 -2.471 1.00 0.00 O ATOM 482 CB LYS A 35 5.171 7.134 -5.264 1.00 0.00 C ATOM 483 CG LYS A 35 4.539 6.055 -6.125 1.00 0.00 C ATOM 484 CD LYS A 35 5.238 5.933 -7.469 1.00 0.00 C ATOM 485 CE LYS A 35 4.744 6.982 -8.452 1.00 0.00 C ATOM 486 NZ LYS A 35 5.630 7.087 -9.645 1.00 0.00 N ATOM 0 H LYS A 35 6.116 8.513 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 35 3.468 7.436 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.090 8.092 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.234 6.921 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.583 5.099 -5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.485 6.284 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.314 6.040 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.067 4.938 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.733 6.732 -8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.690 7.950 -7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.339 7.901 -10.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.615 7.216 -9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.556 6.217 -10.210 1.00 0.00 H new ATOM 500 N VAL A 36 3.733 5.091 -3.141 1.00 0.00 N ATOM 501 CA VAL A 36 3.799 3.814 -2.441 1.00 0.00 C ATOM 502 C VAL A 36 3.571 2.650 -3.399 1.00 0.00 C ATOM 503 O VAL A 36 2.503 2.528 -4.000 1.00 0.00 O ATOM 504 CB VAL A 36 2.761 3.742 -1.305 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.355 3.922 -1.856 1.00 0.00 C ATOM 506 CG2 VAL A 36 2.884 2.425 -0.555 1.00 0.00 C ATOM 0 H VAL A 36 2.865 5.246 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 36 4.799 3.738 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 36 2.957 4.553 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.635 3.868 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.277 4.893 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.144 3.134 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.143 2.391 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.714 1.597 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.883 2.342 -0.127 1.00 0.00 H new ATOM 516 N SER A 37 4.580 1.797 -3.536 1.00 0.00 N ATOM 517 CA SER A 37 4.490 0.644 -4.424 1.00 0.00 C ATOM 518 C SER A 37 4.316 -0.644 -3.626 1.00 0.00 C ATOM 519 O SER A 37 5.103 -0.942 -2.726 1.00 0.00 O ATOM 520 CB SER A 37 5.743 0.549 -5.300 1.00 0.00 C ATOM 521 OG SER A 37 5.773 -0.674 -6.014 1.00 0.00 O ATOM 0 H SER A 37 5.469 1.882 -3.044 1.00 0.00 H new ATOM 0 HA SER A 37 3.617 0.776 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.765 1.384 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.634 0.632 -4.677 1.00 0.00 H new ATOM 0 HG SER A 37 6.581 -0.710 -6.567 1.00 0.00 H new ATOM 527 N PHE A 38 3.281 -1.406 -3.961 1.00 0.00 N ATOM 528 CA PHE A 38 3.002 -2.663 -3.276 1.00 0.00 C ATOM 529 C PHE A 38 2.630 -3.755 -4.274 1.00 0.00 C ATOM 530 O PHE A 38 2.629 -3.532 -5.483 1.00 0.00 O ATOM 531 CB PHE A 38 1.870 -2.475 -2.263 1.00 0.00 C ATOM 532 CG PHE A 38 0.695 -1.716 -2.811 1.00 0.00 C ATOM 533 CD1 PHE A 38 0.735 -0.335 -2.919 1.00 0.00 C ATOM 534 CD2 PHE A 38 -0.449 -2.383 -3.217 1.00 0.00 C ATOM 535 CE1 PHE A 38 -0.344 0.367 -3.423 1.00 0.00 C ATOM 536 CE2 PHE A 38 -1.531 -1.687 -3.721 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.478 -0.310 -3.824 1.00 0.00 C ATOM 0 H PHE A 38 2.621 -1.175 -4.703 1.00 0.00 H new ATOM 0 HA PHE A 38 3.905 -2.970 -2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.533 -3.454 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.257 -1.949 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.620 0.199 -2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.496 -3.459 -3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.300 1.443 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.417 -2.219 -4.034 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.323 0.236 -4.218 1.00 0.00 H new ATOM 547 N ASN A 39 2.316 -4.939 -3.756 1.00 0.00 N ATOM 548 CA ASN A 39 1.944 -6.068 -4.601 1.00 0.00 C ATOM 549 C ASN A 39 0.671 -6.734 -4.088 1.00 0.00 C ATOM 550 O ASN A 39 0.366 -6.684 -2.897 1.00 0.00 O ATOM 551 CB ASN A 39 3.082 -7.089 -4.653 1.00 0.00 C ATOM 552 CG ASN A 39 4.263 -6.596 -5.466 1.00 0.00 C ATOM 553 OD1 ASN A 39 4.319 -6.789 -6.681 1.00 0.00 O ATOM 554 ND2 ASN A 39 5.217 -5.957 -4.797 1.00 0.00 N ATOM 0 H ASN A 39 2.312 -5.141 -2.756 1.00 0.00 H new ATOM 0 HA ASN A 39 1.756 -5.692 -5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.411 -7.314 -3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.712 -8.020 -5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.037 -5.604 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.129 -5.819 -3.790 1.00 0.00 H new ATOM 561 N LYS A 40 -0.070 -7.360 -4.997 1.00 0.00 N ATOM 562 CA LYS A 40 -1.309 -8.038 -4.638 1.00 0.00 C ATOM 563 C LYS A 40 -1.087 -8.999 -3.474 1.00 0.00 C ATOM 564 O LYS A 40 0.015 -9.500 -3.253 1.00 0.00 O ATOM 565 CB LYS A 40 -1.864 -8.802 -5.843 1.00 0.00 C ATOM 566 CG LYS A 40 -2.256 -7.904 -7.004 1.00 0.00 C ATOM 567 CD LYS A 40 -3.405 -8.496 -7.804 1.00 0.00 C ATOM 568 CE LYS A 40 -3.125 -9.939 -8.196 1.00 0.00 C ATOM 569 NZ LYS A 40 -3.899 -10.345 -9.402 1.00 0.00 N ATOM 0 H LYS A 40 0.167 -7.411 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.031 -7.282 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.116 -9.518 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.735 -9.377 -5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.543 -6.923 -6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.396 -7.755 -7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.322 -8.449 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.571 -7.900 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.059 -10.063 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.377 -10.597 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.681 -11.334 -9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.917 -10.251 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.640 -9.734 -10.203 1.00 0.00 H new ATOM 583 N PRO A 41 -2.158 -9.264 -2.712 1.00 0.00 N ATOM 584 CA PRO A 41 -2.104 -10.167 -1.558 1.00 0.00 C ATOM 585 C PRO A 41 -1.916 -11.623 -1.971 1.00 0.00 C ATOM 586 O PRO A 41 -2.629 -12.130 -2.838 1.00 0.00 O ATOM 587 CB PRO A 41 -3.469 -9.973 -0.892 1.00 0.00 C ATOM 588 CG PRO A 41 -4.366 -9.515 -1.990 1.00 0.00 C ATOM 589 CD PRO A 41 -3.504 -8.702 -2.916 1.00 0.00 C ATOM 0 HA PRO A 41 -1.260 -9.945 -0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.829 -10.902 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.417 -9.236 -0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.808 -10.363 -2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.189 -8.918 -1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.826 -8.798 -3.953 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.538 -7.641 -2.669 1.00 0.00 H new ATOM 652 N VAL A 47 -13.124 -14.027 -4.476 1.00 0.00 N ATOM 653 CA VAL A 47 -13.404 -13.202 -5.646 1.00 0.00 C ATOM 654 C VAL A 47 -12.186 -12.374 -6.038 1.00 0.00 C ATOM 655 O VAL A 47 -11.345 -12.029 -5.208 1.00 0.00 O ATOM 656 CB VAL A 47 -14.595 -12.258 -5.395 1.00 0.00 C ATOM 657 CG1 VAL A 47 -15.866 -13.056 -5.152 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.303 -11.333 -4.224 1.00 0.00 C ATOM 0 HA VAL A 47 -13.655 -13.882 -6.460 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.745 -11.645 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.697 -12.373 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.081 -13.672 -6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.733 -13.696 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.155 -10.673 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.126 -11.926 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.418 -10.736 -4.444 1.00 0.00 H new ATOM 668 N PRO A 48 -12.087 -12.044 -7.334 1.00 0.00 N ATOM 669 CA PRO A 48 -10.976 -11.249 -7.867 1.00 0.00 C ATOM 670 C PRO A 48 -11.024 -9.798 -7.401 1.00 0.00 C ATOM 671 O PRO A 48 -12.036 -9.117 -7.569 1.00 0.00 O ATOM 672 CB PRO A 48 -11.175 -11.332 -9.382 1.00 0.00 C ATOM 673 CG PRO A 48 -12.633 -11.587 -9.559 1.00 0.00 C ATOM 674 CD PRO A 48 -13.053 -12.420 -8.380 1.00 0.00 C ATOM 0 HA PRO A 48 -10.009 -11.623 -7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.872 -10.407 -9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.577 -12.133 -9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.191 -10.652 -9.595 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.827 -12.110 -10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -14.077 -12.201 -8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.007 -13.486 -8.604 1.00 0.00 H new ATOM 682 N ILE A 49 -9.926 -9.333 -6.816 1.00 0.00 N ATOM 683 CA ILE A 49 -9.843 -7.962 -6.327 1.00 0.00 C ATOM 684 C ILE A 49 -10.223 -6.966 -7.417 1.00 0.00 C ATOM 685 O ILE A 49 -10.028 -7.227 -8.605 1.00 0.00 O ATOM 686 CB ILE A 49 -8.431 -7.631 -5.813 1.00 0.00 C ATOM 687 CG1 ILE A 49 -8.093 -8.491 -4.593 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.324 -6.152 -5.472 1.00 0.00 C ATOM 689 CD1 ILE A 49 -6.610 -8.593 -4.317 1.00 0.00 C ATOM 0 H ILE A 49 -9.081 -9.885 -6.669 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.549 -7.879 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.712 -7.855 -6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.589 -8.075 -3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.496 -9.493 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.319 -5.934 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.526 -5.558 -6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.050 -5.904 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.445 -9.217 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.110 -9.038 -5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.204 -7.598 -4.136 1.00 0.00 H new ATOM 701 N HIS A 50 -10.763 -5.823 -7.006 1.00 0.00 N ATOM 702 CA HIS A 50 -11.166 -4.786 -7.949 1.00 0.00 C ATOM 703 C HIS A 50 -10.270 -3.559 -7.823 1.00 0.00 C ATOM 704 O HIS A 50 -9.851 -2.977 -8.824 1.00 0.00 O ATOM 705 CB HIS A 50 -12.625 -4.393 -7.713 1.00 0.00 C ATOM 706 CG HIS A 50 -13.601 -5.203 -8.510 1.00 0.00 C ATOM 707 ND1 HIS A 50 -14.213 -4.732 -9.653 1.00 0.00 N ATOM 708 CD2 HIS A 50 -14.068 -6.459 -8.325 1.00 0.00 C ATOM 709 CE1 HIS A 50 -15.016 -5.663 -10.135 1.00 0.00 C ATOM 710 NE2 HIS A 50 -14.946 -6.723 -9.348 1.00 0.00 N ATOM 0 H HIS A 50 -10.931 -5.592 -6.027 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.063 -5.186 -8.958 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.855 -4.502 -6.653 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.753 -3.339 -7.960 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.800 -7.130 -7.522 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.626 -5.574 -11.022 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.460 -7.594 -9.479 1.00 0.00 H new ATOM 719 N HIS A 51 -9.978 -3.169 -6.585 1.00 0.00 N ATOM 720 CA HIS A 51 -9.131 -2.009 -6.328 1.00 0.00 C ATOM 721 C HIS A 51 -8.526 -2.079 -4.929 1.00 0.00 C ATOM 722 O HIS A 51 -8.705 -3.063 -4.212 1.00 0.00 O ATOM 723 CB HIS A 51 -9.934 -0.719 -6.486 1.00 0.00 C ATOM 724 CG HIS A 51 -11.023 -0.564 -5.469 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.324 -0.963 -5.693 1.00 0.00 N ATOM 726 CD2 HIS A 51 -10.999 -0.049 -4.217 1.00 0.00 C ATOM 727 CE1 HIS A 51 -13.053 -0.700 -4.622 1.00 0.00 C ATOM 728 NE2 HIS A 51 -12.272 -0.145 -3.713 1.00 0.00 N ATOM 0 H HIS A 51 -10.315 -3.639 -5.745 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.320 -2.013 -7.056 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.257 0.132 -6.414 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.373 -0.694 -7.483 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -10.138 0.361 -3.709 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -14.108 -0.904 -4.510 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.567 0.163 -2.786 1.00 0.00 H new ATOM 737 N TYR A 52 -7.809 -1.028 -4.548 1.00 0.00 N ATOM 738 CA TYR A 52 -7.174 -0.970 -3.237 1.00 0.00 C ATOM 739 C TYR A 52 -7.497 0.344 -2.532 1.00 0.00 C ATOM 740 O TYR A 52 -7.804 1.346 -3.177 1.00 0.00 O ATOM 741 CB TYR A 52 -5.659 -1.131 -3.372 1.00 0.00 C ATOM 742 CG TYR A 52 -5.233 -2.509 -3.826 1.00 0.00 C ATOM 743 CD1 TYR A 52 -5.330 -2.882 -5.160 1.00 0.00 C ATOM 744 CD2 TYR A 52 -4.735 -3.436 -2.920 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.942 -4.140 -5.579 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.344 -4.697 -3.329 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.451 -5.044 -4.660 1.00 0.00 C ATOM 748 OH TYR A 52 -4.063 -6.298 -5.073 1.00 0.00 O ATOM 0 H TYR A 52 -7.653 -0.204 -5.129 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.567 -1.790 -2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.286 -0.393 -4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.192 -0.914 -2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.715 -2.177 -5.882 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.652 -3.167 -1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.023 -4.414 -6.620 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.957 -5.406 -2.612 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.598 -6.567 -5.848 1.00 0.00 H new ATOM 758 N GLN A 53 -7.425 0.330 -1.205 1.00 0.00 N ATOM 759 CA GLN A 53 -7.710 1.520 -0.412 1.00 0.00 C ATOM 760 C GLN A 53 -6.464 1.988 0.333 1.00 0.00 C ATOM 761 O GLN A 53 -5.771 1.193 0.966 1.00 0.00 O ATOM 762 CB GLN A 53 -8.838 1.238 0.582 1.00 0.00 C ATOM 763 CG GLN A 53 -9.557 2.490 1.056 1.00 0.00 C ATOM 764 CD GLN A 53 -11.011 2.231 1.403 1.00 0.00 C ATOM 765 OE1 GLN A 53 -11.707 1.495 0.704 1.00 0.00 O ATOM 766 NE2 GLN A 53 -11.477 2.838 2.489 1.00 0.00 N ATOM 0 H GLN A 53 -7.172 -0.492 -0.657 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.024 2.313 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.561 0.567 0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.428 0.715 1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.044 2.890 1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.503 3.252 0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.864 3.440 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.447 2.702 2.772 1.00 0.00 H new ATOM 775 N VAL A 54 -6.186 3.286 0.252 1.00 0.00 N ATOM 776 CA VAL A 54 -5.023 3.861 0.918 1.00 0.00 C ATOM 777 C VAL A 54 -5.439 4.938 1.914 1.00 0.00 C ATOM 778 O VAL A 54 -6.239 5.818 1.595 1.00 0.00 O ATOM 779 CB VAL A 54 -4.038 4.469 -0.097 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.858 5.107 0.620 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.565 3.408 -1.080 1.00 0.00 C ATOM 0 H VAL A 54 -6.750 3.958 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.528 3.048 1.450 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.555 5.247 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.173 5.531 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.217 5.896 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.338 4.351 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.869 3.855 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.064 2.606 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.422 3.002 -1.618 1.00 0.00 H new ATOM 791 N ASP A 55 -4.889 4.863 3.121 1.00 0.00 N ATOM 792 CA ASP A 55 -5.201 5.833 4.164 1.00 0.00 C ATOM 793 C ASP A 55 -3.925 6.400 4.779 1.00 0.00 C ATOM 794 O ASP A 55 -3.161 5.680 5.422 1.00 0.00 O ATOM 795 CB ASP A 55 -6.062 5.187 5.251 1.00 0.00 C ATOM 796 CG ASP A 55 -6.991 6.179 5.921 1.00 0.00 C ATOM 797 OD1 ASP A 55 -7.090 7.324 5.431 1.00 0.00 O ATOM 798 OD2 ASP A 55 -7.621 5.811 6.934 1.00 0.00 O ATOM 0 H ASP A 55 -4.225 4.141 3.401 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.758 6.652 3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.651 4.381 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.414 4.736 6.003 1.00 0.00 H new ATOM 803 N VAL A 56 -3.701 7.694 4.576 1.00 0.00 N ATOM 804 CA VAL A 56 -2.518 8.357 5.111 1.00 0.00 C ATOM 805 C VAL A 56 -2.900 9.557 5.969 1.00 0.00 C ATOM 806 O VAL A 56 -3.952 10.166 5.771 1.00 0.00 O ATOM 807 CB VAL A 56 -1.579 8.826 3.982 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.193 9.996 3.228 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.215 9.200 4.544 1.00 0.00 C ATOM 0 H VAL A 56 -4.323 8.304 4.045 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.997 7.625 5.728 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.444 8.003 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.516 10.313 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.144 9.689 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.360 10.825 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.435 9.529 3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.329 10.007 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.227 8.332 5.034 1.00 0.00 H new ATOM 819 N LYS A 57 -2.040 9.893 6.924 1.00 0.00 N ATOM 820 CA LYS A 57 -2.285 11.022 7.814 1.00 0.00 C ATOM 821 C LYS A 57 -1.056 11.321 8.666 1.00 0.00 C ATOM 822 O LYS A 57 -0.104 10.542 8.692 1.00 0.00 O ATOM 823 CB LYS A 57 -3.486 10.734 8.718 1.00 0.00 C ATOM 824 CG LYS A 57 -3.114 10.072 10.032 1.00 0.00 C ATOM 825 CD LYS A 57 -4.308 9.982 10.969 1.00 0.00 C ATOM 826 CE LYS A 57 -4.057 8.994 12.098 1.00 0.00 C ATOM 827 NZ LYS A 57 -3.130 9.547 13.124 1.00 0.00 N ATOM 0 H LYS A 57 -1.166 9.399 7.102 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.501 11.896 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.005 11.669 8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.187 10.093 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.725 9.072 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.315 10.637 10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.520 10.967 11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.191 9.677 10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.005 8.732 12.569 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.639 8.074 11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.420 9.219 14.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.162 9.223 12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.160 10.586 13.095 1.00 0.00 H new ATOM 841 N GLU A 58 -1.085 12.453 9.362 1.00 0.00 N ATOM 842 CA GLU A 58 0.028 12.853 10.216 1.00 0.00 C ATOM 843 C GLU A 58 0.018 12.070 11.526 1.00 0.00 C ATOM 844 O GLU A 58 -1.035 11.858 12.127 1.00 0.00 O ATOM 845 CB GLU A 58 -0.036 14.353 10.505 1.00 0.00 C ATOM 846 CG GLU A 58 0.730 15.201 9.502 1.00 0.00 C ATOM 847 CD GLU A 58 0.495 16.686 9.693 1.00 0.00 C ATOM 848 OE1 GLU A 58 -0.666 17.126 9.555 1.00 0.00 O ATOM 849 OE2 GLU A 58 1.472 17.409 9.980 1.00 0.00 O ATOM 0 H GLU A 58 -1.866 13.109 9.352 1.00 0.00 H new ATOM 0 HA GLU A 58 0.955 12.631 9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.079 14.669 10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.361 14.539 11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.796 14.991 9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.435 14.917 8.492 1.00 0.00 H new ATOM 856 N VAL A 59 1.198 11.643 11.962 1.00 0.00 N ATOM 857 CA VAL A 59 1.327 10.883 13.201 1.00 0.00 C ATOM 858 C VAL A 59 0.759 11.661 14.382 1.00 0.00 C ATOM 859 O VAL A 59 0.455 11.087 15.427 1.00 0.00 O ATOM 860 CB VAL A 59 2.797 10.529 13.492 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.664 11.779 13.460 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.918 9.820 14.832 1.00 0.00 C ATOM 0 H VAL A 59 2.079 11.810 11.476 1.00 0.00 H new ATOM 0 HA VAL A 59 0.760 9.962 13.069 1.00 0.00 H new ATOM 0 HB VAL A 59 3.151 9.851 12.715 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.699 11.509 13.668 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.600 12.241 12.475 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.314 12.484 14.214 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.963 9.577 15.022 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.547 10.472 15.623 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.330 8.902 14.813 1.00 0.00 H new ATOM 872 N ALA A 60 0.618 12.971 14.209 1.00 0.00 N ATOM 873 CA ALA A 60 0.084 13.828 15.260 1.00 0.00 C ATOM 874 C ALA A 60 -1.404 14.088 15.054 1.00 0.00 C ATOM 875 O ALA A 60 -2.158 14.232 16.016 1.00 0.00 O ATOM 876 CB ALA A 60 0.850 15.141 15.311 1.00 0.00 C ATOM 0 H ALA A 60 0.866 13.462 13.350 1.00 0.00 H new ATOM 0 HA ALA A 60 0.207 13.312 16.212 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.440 15.771 16.101 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.902 14.941 15.516 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.758 15.653 14.353 1.00 0.00 H new ATOM 882 N SER A 61 -1.820 14.148 13.793 1.00 0.00 N ATOM 883 CA SER A 61 -3.218 14.396 13.460 1.00 0.00 C ATOM 884 C SER A 61 -4.048 13.127 13.620 1.00 0.00 C ATOM 885 O SER A 61 -3.505 12.033 13.774 1.00 0.00 O ATOM 886 CB SER A 61 -3.338 14.920 12.027 1.00 0.00 C ATOM 887 OG SER A 61 -4.693 15.138 11.676 1.00 0.00 O ATOM 0 H SER A 61 -1.209 14.028 12.985 1.00 0.00 H new ATOM 0 HA SER A 61 -3.601 15.149 14.148 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.779 15.851 11.929 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.891 14.205 11.336 1.00 0.00 H new ATOM 0 HG SER A 61 -4.743 15.474 10.757 1.00 0.00 H new ATOM 893 N GLU A 62 -5.368 13.281 13.584 1.00 0.00 N ATOM 894 CA GLU A 62 -6.273 12.147 13.726 1.00 0.00 C ATOM 895 C GLU A 62 -7.085 11.935 12.451 1.00 0.00 C ATOM 896 O GLU A 62 -7.608 10.847 12.210 1.00 0.00 O ATOM 897 CB GLU A 62 -7.215 12.364 14.913 1.00 0.00 C ATOM 898 CG GLU A 62 -8.444 13.189 14.572 1.00 0.00 C ATOM 899 CD GLU A 62 -9.469 13.199 15.689 1.00 0.00 C ATOM 900 OE1 GLU A 62 -9.090 13.502 16.840 1.00 0.00 O ATOM 901 OE2 GLU A 62 -10.651 12.904 15.413 1.00 0.00 O ATOM 0 H GLU A 62 -5.834 14.180 13.458 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.672 11.256 13.906 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.533 11.394 15.295 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.667 12.858 15.715 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.140 14.213 14.354 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.903 12.793 13.666 1.00 0.00 H new ATOM 908 N ILE A 63 -7.185 12.982 11.640 1.00 0.00 N ATOM 909 CA ILE A 63 -7.931 12.911 10.390 1.00 0.00 C ATOM 910 C ILE A 63 -7.222 12.018 9.376 1.00 0.00 C ATOM 911 O ILE A 63 -6.117 12.325 8.929 1.00 0.00 O ATOM 912 CB ILE A 63 -8.131 14.309 9.773 1.00 0.00 C ATOM 913 CG1 ILE A 63 -9.114 15.124 10.615 1.00 0.00 C ATOM 914 CG2 ILE A 63 -8.625 14.189 8.339 1.00 0.00 C ATOM 915 CD1 ILE A 63 -8.452 15.914 11.722 1.00 0.00 C ATOM 0 H ILE A 63 -6.759 13.890 11.826 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.905 12.485 10.628 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.172 14.828 9.763 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.655 15.810 9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.851 14.450 11.051 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.762 15.185 7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.892 13.641 7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.575 13.655 8.325 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.209 16.467 12.277 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.934 15.232 12.396 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.735 16.613 11.291 1.00 0.00 H new ATOM 927 N TRP A 64 -7.867 10.913 9.019 1.00 0.00 N ATOM 928 CA TRP A 64 -7.299 9.976 8.056 1.00 0.00 C ATOM 929 C TRP A 64 -7.705 10.343 6.634 1.00 0.00 C ATOM 930 O TRP A 64 -8.887 10.527 6.342 1.00 0.00 O ATOM 931 CB TRP A 64 -7.751 8.549 8.376 1.00 0.00 C ATOM 932 CG TRP A 64 -6.963 7.910 9.480 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.247 7.944 10.814 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.763 7.142 9.341 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.294 7.245 11.515 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.373 6.742 10.634 1.00 0.00 C ATOM 937 CE3 TRP A 64 -4.980 6.752 8.251 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.236 5.973 10.864 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.851 5.989 8.481 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.488 5.606 9.779 1.00 0.00 C ATOM 0 H TRP A 64 -8.782 10.644 9.381 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.213 10.032 8.129 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.805 8.563 8.653 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.665 7.938 7.477 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.096 8.446 11.254 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.275 7.121 12.527 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.252 7.042 7.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.954 5.677 11.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.238 5.683 7.646 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.600 5.009 9.926 1.00 0.00 H new ATOM 951 N LYS A 65 -6.718 10.451 5.750 1.00 0.00 N ATOM 952 CA LYS A 65 -6.971 10.796 4.357 1.00 0.00 C ATOM 953 C LYS A 65 -7.024 9.544 3.487 1.00 0.00 C ATOM 954 O LYS A 65 -6.048 8.798 3.396 1.00 0.00 O ATOM 955 CB LYS A 65 -5.886 11.743 3.839 1.00 0.00 C ATOM 956 CG LYS A 65 -6.048 13.174 4.322 1.00 0.00 C ATOM 957 CD LYS A 65 -4.729 13.928 4.284 1.00 0.00 C ATOM 958 CE LYS A 65 -3.790 13.463 5.386 1.00 0.00 C ATOM 959 NZ LYS A 65 -2.801 14.514 5.752 1.00 0.00 N ATOM 0 H LYS A 65 -5.734 10.304 5.975 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.938 11.296 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.911 11.371 4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.896 11.733 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.780 13.688 3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.439 13.174 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.253 13.783 3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.916 14.997 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.371 13.189 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.263 12.566 5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.179 14.158 6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.229 14.758 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.303 15.361 6.088 1.00 0.00 H new ATOM 973 N ILE A 66 -8.169 9.320 2.850 1.00 0.00 N ATOM 974 CA ILE A 66 -8.346 8.159 1.986 1.00 0.00 C ATOM 975 C ILE A 66 -8.029 8.501 0.534 1.00 0.00 C ATOM 976 O ILE A 66 -8.374 9.578 0.049 1.00 0.00 O ATOM 977 CB ILE A 66 -9.783 7.610 2.070 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.113 7.202 3.507 1.00 0.00 C ATOM 979 CG2 ILE A 66 -9.955 6.430 1.126 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.313 6.015 3.998 1.00 0.00 C ATOM 0 H ILE A 66 -8.987 9.926 2.916 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.652 7.395 2.337 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.475 8.396 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.932 8.050 4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.175 6.967 3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.975 6.053 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.757 6.750 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.256 5.640 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.599 5.782 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.513 5.153 3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.250 6.253 3.963 1.00 0.00 H new ATOM 992 N VAL A 67 -7.371 7.574 -0.156 1.00 0.00 N ATOM 993 CA VAL A 67 -7.010 7.776 -1.554 1.00 0.00 C ATOM 994 C VAL A 67 -7.239 6.508 -2.369 1.00 0.00 C ATOM 995 O VAL A 67 -6.538 5.510 -2.195 1.00 0.00 O ATOM 996 CB VAL A 67 -5.537 8.205 -1.697 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.130 8.238 -3.162 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.312 9.560 -1.042 1.00 0.00 C ATOM 0 H VAL A 67 -7.078 6.677 0.230 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.651 8.571 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.912 7.472 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.087 8.543 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.253 7.246 -3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.759 8.949 -3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.267 9.848 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.946 10.306 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.562 9.498 0.017 1.00 0.00 H new ATOM 1008 N ARG A 68 -8.225 6.554 -3.259 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.548 5.408 -4.101 1.00 0.00 C ATOM 1010 C ARG A 68 -7.702 5.412 -5.371 1.00 0.00 C ATOM 1011 O ARG A 68 -7.301 6.468 -5.859 1.00 0.00 O ATOM 1012 CB ARG A 68 -10.033 5.418 -4.465 1.00 0.00 C ATOM 1013 CG ARG A 68 -10.946 5.036 -3.311 1.00 0.00 C ATOM 1014 CD ARG A 68 -11.350 6.253 -2.493 1.00 0.00 C ATOM 1015 NE ARG A 68 -12.437 5.953 -1.567 1.00 0.00 N ATOM 1016 CZ ARG A 68 -13.713 5.883 -1.930 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -14.059 6.088 -3.194 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -14.647 5.605 -1.028 1.00 0.00 N ATOM 0 H ARG A 68 -8.814 7.372 -3.416 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.325 4.501 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.305 6.413 -4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.200 4.729 -5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.838 4.545 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.440 4.316 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.488 6.617 -1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.656 7.055 -3.164 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.204 5.788 -0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.345 6.300 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.040 6.034 -3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.385 5.445 -0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.626 5.552 -1.308 1.00 0.00 H new ATOM 1032 N SER A 69 -7.434 4.222 -5.901 1.00 0.00 N ATOM 1033 CA SER A 69 -6.633 4.088 -7.111 1.00 0.00 C ATOM 1034 C SER A 69 -7.524 3.877 -8.332 1.00 0.00 C ATOM 1035 O SER A 69 -8.598 3.283 -8.236 1.00 0.00 O ATOM 1036 CB SER A 69 -5.653 2.920 -6.973 1.00 0.00 C ATOM 1037 OG SER A 69 -6.336 1.714 -6.678 1.00 0.00 O ATOM 0 H SER A 69 -7.760 3.338 -5.511 1.00 0.00 H new ATOM 0 HA SER A 69 -6.070 5.011 -7.248 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.087 2.805 -7.898 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.933 3.136 -6.184 1.00 0.00 H new ATOM 0 HG SER A 69 -6.527 1.234 -7.511 1.00 0.00 H new ATOM 1043 N HIS A 70 -7.068 4.368 -9.481 1.00 0.00 N ATOM 1044 CA HIS A 70 -7.823 4.235 -10.722 1.00 0.00 C ATOM 1045 C HIS A 70 -7.518 2.902 -11.401 1.00 0.00 C ATOM 1046 O HIS A 70 -6.838 2.858 -12.426 1.00 0.00 O ATOM 1047 CB HIS A 70 -7.497 5.390 -11.669 1.00 0.00 C ATOM 1048 CG HIS A 70 -7.481 6.728 -10.997 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -6.390 7.570 -11.023 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -8.432 7.370 -10.279 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -6.670 8.672 -10.349 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -7.903 8.575 -9.887 1.00 0.00 N ATOM 0 H HIS A 70 -6.180 4.861 -9.578 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.885 4.265 -10.478 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.524 5.211 -12.126 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.230 5.406 -12.475 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.423 7.003 -10.056 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.004 9.509 -10.201 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.384 9.281 -9.329 1.00 0.00 H new ATOM 1061 N GLY A 71 -8.026 1.818 -10.823 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.796 0.501 -11.386 1.00 0.00 C ATOM 1063 C GLY A 71 -7.167 -0.454 -10.391 1.00 0.00 C ATOM 1064 O GLY A 71 -7.073 -0.149 -9.202 1.00 0.00 O ATOM 0 H GLY A 71 -8.593 1.829 -9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.743 0.087 -11.733 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.148 0.590 -12.258 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.734 -1.613 -10.876 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.111 -2.616 -10.021 1.00 0.00 C ATOM 1070 C VAL A 72 -4.617 -2.351 -9.863 1.00 0.00 C ATOM 1071 O VAL A 72 -3.827 -3.281 -9.708 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.313 -4.036 -10.582 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -7.791 -4.393 -10.613 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -5.699 -4.153 -11.969 1.00 0.00 C ATOM 0 H VAL A 72 -6.803 -1.881 -11.858 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.595 -2.547 -9.047 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.807 -4.743 -9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.914 -5.400 -11.012 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.197 -4.352 -9.602 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.323 -3.684 -11.247 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.851 -5.163 -12.350 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.175 -3.437 -12.639 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.631 -3.943 -11.913 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.241 -1.077 -9.902 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.842 -0.691 -9.763 1.00 0.00 C ATOM 1086 C GLN A 73 -2.397 -0.772 -8.307 1.00 0.00 C ATOM 1087 O GLN A 73 -3.141 -0.402 -7.398 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.627 0.726 -10.298 1.00 0.00 C ATOM 1089 CG GLN A 73 -3.318 1.799 -9.471 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.702 3.013 -10.294 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -4.029 2.898 -11.475 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -3.665 4.186 -9.673 1.00 0.00 N ATOM 0 H GLN A 73 -4.884 -0.296 -10.028 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.239 -1.387 -10.346 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.558 0.935 -10.330 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.992 0.778 -11.324 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.213 1.378 -9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.659 2.108 -8.660 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.388 4.235 -8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.914 5.038 -10.176 1.00 0.00 H new ATOM 1101 N THR A 74 -1.178 -1.255 -8.091 1.00 0.00 N ATOM 1102 CA THR A 74 -0.635 -1.387 -6.746 1.00 0.00 C ATOM 1103 C THR A 74 0.301 -0.228 -6.416 1.00 0.00 C ATOM 1104 O THR A 74 1.097 -0.309 -5.481 1.00 0.00 O ATOM 1105 CB THR A 74 0.129 -2.713 -6.574 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.159 -2.817 -7.563 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.815 -3.900 -6.692 1.00 0.00 C ATOM 0 H THR A 74 -0.547 -1.562 -8.832 1.00 0.00 H new ATOM 0 HA THR A 74 -1.483 -1.375 -6.061 1.00 0.00 H new ATOM 0 HB THR A 74 0.577 -2.722 -5.581 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.995 -3.099 -7.136 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.253 -4.826 -6.567 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.581 -3.834 -5.920 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.288 -3.892 -7.674 1.00 0.00 H new ATOM 1115 N MET A 75 0.198 0.848 -7.188 1.00 0.00 N ATOM 1116 CA MET A 75 1.034 2.024 -6.976 1.00 0.00 C ATOM 1117 C MET A 75 0.196 3.298 -6.999 1.00 0.00 C ATOM 1118 O MET A 75 -0.698 3.450 -7.831 1.00 0.00 O ATOM 1119 CB MET A 75 2.127 2.099 -8.044 1.00 0.00 C ATOM 1120 CG MET A 75 3.353 2.882 -7.605 1.00 0.00 C ATOM 1121 SD MET A 75 4.848 2.380 -8.479 1.00 0.00 S ATOM 1122 CE MET A 75 4.589 3.163 -10.070 1.00 0.00 C ATOM 0 H MET A 75 -0.456 0.930 -7.966 1.00 0.00 H new ATOM 0 HA MET A 75 1.501 1.935 -5.995 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.430 1.087 -8.314 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.715 2.559 -8.942 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.179 3.945 -7.772 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.501 2.747 -6.533 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.830 2.458 -10.866 1.00 0.00 H new ATOM 0 HE2 MET A 75 3.547 3.469 -10.160 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.232 4.039 -10.153 1.00 0.00 H new ATOM 1132 N VAL A 76 0.491 4.212 -6.079 1.00 0.00 N ATOM 1133 CA VAL A 76 -0.235 5.473 -5.995 1.00 0.00 C ATOM 1134 C VAL A 76 0.646 6.576 -5.417 1.00 0.00 C ATOM 1135 O VAL A 76 1.462 6.332 -4.529 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.501 5.336 -5.129 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -2.157 6.692 -4.922 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.476 4.354 -5.763 1.00 0.00 C ATOM 0 H VAL A 76 1.228 4.102 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.527 5.739 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.212 4.947 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.050 6.574 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.458 7.362 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.434 7.113 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.365 4.269 -5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.761 4.712 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.001 3.377 -5.853 1.00 0.00 H new ATOM 1148 N VAL A 77 0.473 7.791 -5.926 1.00 0.00 N ATOM 1149 CA VAL A 77 1.250 8.933 -5.459 1.00 0.00 C ATOM 1150 C VAL A 77 0.405 9.853 -4.586 1.00 0.00 C ATOM 1151 O VAL A 77 -0.669 10.298 -4.991 1.00 0.00 O ATOM 1152 CB VAL A 77 1.820 9.744 -6.639 1.00 0.00 C ATOM 1153 CG1 VAL A 77 0.773 10.704 -7.183 1.00 0.00 C ATOM 1154 CG2 VAL A 77 3.073 10.495 -6.213 1.00 0.00 C ATOM 0 H VAL A 77 -0.198 8.010 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 77 2.075 8.534 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 77 2.092 9.051 -7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.194 11.268 -8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.094 10.140 -7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.467 11.393 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.462 11.062 -7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.829 11.178 -5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.827 9.783 -5.876 1.00 0.00 H new ATOM 1164 N LEU A 78 0.898 10.136 -3.385 1.00 0.00 N ATOM 1165 CA LEU A 78 0.189 11.005 -2.452 1.00 0.00 C ATOM 1166 C LEU A 78 0.621 12.458 -2.626 1.00 0.00 C ATOM 1167 O LEU A 78 1.748 12.736 -3.030 1.00 0.00 O ATOM 1168 CB LEU A 78 0.441 10.555 -1.012 1.00 0.00 C ATOM 1169 CG LEU A 78 -0.058 9.155 -0.650 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.430 8.756 0.734 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.576 9.095 -0.720 1.00 0.00 C ATOM 0 H LEU A 78 1.786 9.776 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.877 10.934 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.513 10.597 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.031 11.272 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 78 0.347 8.448 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.065 7.757 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.520 8.758 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.055 9.466 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.913 8.092 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.001 9.814 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.903 9.336 -1.731 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.286 13.380 -2.315 1.00 0.00 N ATOM 1184 CA ASN A 79 0.002 14.805 -2.435 1.00 0.00 C ATOM 1185 C ASN A 79 -0.572 15.576 -1.251 1.00 0.00 C ATOM 1186 O ASN A 79 -1.148 14.990 -0.336 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.572 15.353 -3.742 1.00 0.00 C ATOM 1188 CG ASN A 79 -1.917 14.743 -4.086 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -2.930 15.439 -4.146 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -1.931 13.434 -4.313 1.00 0.00 N ATOM 0 H ASN A 79 -1.225 13.166 -1.979 1.00 0.00 H new ATOM 0 HA ASN A 79 1.084 14.934 -2.439 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.677 16.435 -3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.130 15.159 -4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.807 12.967 -4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.066 12.897 -4.252 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.410 16.896 -1.278 1.00 0.00 N ATOM 1198 CA ASN A 80 -0.912 17.749 -0.207 1.00 0.00 C ATOM 1199 C ASN A 80 -0.273 17.379 1.129 1.00 0.00 C ATOM 1200 O ASN A 80 -0.946 17.332 2.160 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.435 17.633 -0.105 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.135 18.096 -1.368 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -3.880 19.077 -1.354 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -2.899 17.392 -2.468 1.00 0.00 N ATOM 0 H ASN A 80 0.064 17.397 -2.029 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.647 18.780 -0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.705 16.597 0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.786 18.225 0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.342 17.657 -3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.275 16.586 -2.434 1.00 0.00 H new ATOM 1211 N LEU A 81 1.028 17.116 1.102 1.00 0.00 N ATOM 1212 CA LEU A 81 1.760 16.751 2.310 1.00 0.00 C ATOM 1213 C LEU A 81 2.792 17.816 2.665 1.00 0.00 C ATOM 1214 O LEU A 81 3.351 18.469 1.785 1.00 0.00 O ATOM 1215 CB LEU A 81 2.450 15.399 2.124 1.00 0.00 C ATOM 1216 CG LEU A 81 1.634 14.322 1.406 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.521 13.150 1.018 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.481 13.854 2.283 1.00 0.00 C ATOM 0 H LEU A 81 1.598 17.149 0.257 1.00 0.00 H new ATOM 0 HA LEU A 81 1.045 16.677 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.373 15.558 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.731 15.019 3.106 1.00 0.00 H new ATOM 0 HG LEU A 81 1.220 14.754 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.923 12.394 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.311 13.497 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.965 12.718 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.089 13.088 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.875 13.440 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.170 14.699 2.510 1.00 0.00 H new ATOM 1230 N GLU A 82 3.041 17.984 3.961 1.00 0.00 N ATOM 1231 CA GLU A 82 4.008 18.969 4.431 1.00 0.00 C ATOM 1232 C GLU A 82 5.403 18.360 4.527 1.00 0.00 C ATOM 1233 O GLU A 82 5.576 17.195 4.888 1.00 0.00 O ATOM 1234 CB GLU A 82 3.585 19.521 5.794 1.00 0.00 C ATOM 1235 CG GLU A 82 2.217 20.183 5.785 1.00 0.00 C ATOM 1236 CD GLU A 82 1.977 21.042 7.012 1.00 0.00 C ATOM 1237 OE1 GLU A 82 2.773 21.973 7.250 1.00 0.00 O ATOM 1238 OE2 GLU A 82 0.991 20.782 7.733 1.00 0.00 O ATOM 0 H GLU A 82 2.587 17.451 4.703 1.00 0.00 H new ATOM 0 HA GLU A 82 4.037 19.785 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.581 18.708 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.327 20.245 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.121 20.799 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.446 19.415 5.727 1.00 0.00 H new ATOM 1245 N PRO A 83 6.424 19.163 4.196 1.00 0.00 N ATOM 1246 CA PRO A 83 7.822 18.726 4.236 1.00 0.00 C ATOM 1247 C PRO A 83 8.323 18.516 5.661 1.00 0.00 C ATOM 1248 O PRO A 83 7.777 19.078 6.609 1.00 0.00 O ATOM 1249 CB PRO A 83 8.575 19.880 3.570 1.00 0.00 C ATOM 1250 CG PRO A 83 7.706 21.072 3.783 1.00 0.00 C ATOM 1251 CD PRO A 83 6.291 20.563 3.755 1.00 0.00 C ATOM 0 HA PRO A 83 7.962 17.765 3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.559 20.022 4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.733 19.690 2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.929 21.552 4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.868 21.817 3.004 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.645 21.135 4.421 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.859 20.631 2.757 1.00 0.00 H new ATOM 1259 N ASN A 84 9.364 17.702 5.804 1.00 0.00 N ATOM 1260 CA ASN A 84 9.938 17.418 7.114 1.00 0.00 C ATOM 1261 C ASN A 84 8.862 16.953 8.090 1.00 0.00 C ATOM 1262 O ASN A 84 8.893 17.289 9.274 1.00 0.00 O ATOM 1263 CB ASN A 84 10.641 18.659 7.666 1.00 0.00 C ATOM 1264 CG ASN A 84 11.638 18.322 8.758 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.400 17.436 9.579 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.763 19.029 8.771 1.00 0.00 N ATOM 0 H ASN A 84 9.827 17.228 5.029 1.00 0.00 H new ATOM 0 HA ASN A 84 10.668 16.617 6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.156 19.173 6.854 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.896 19.351 8.059 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.472 18.847 9.481 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.918 19.754 8.071 1.00 0.00 H new ATOM 1273 N THR A 85 7.908 16.177 7.585 1.00 0.00 N ATOM 1274 CA THR A 85 6.821 15.665 8.410 1.00 0.00 C ATOM 1275 C THR A 85 6.654 14.161 8.228 1.00 0.00 C ATOM 1276 O THR A 85 7.010 13.606 7.188 1.00 0.00 O ATOM 1277 CB THR A 85 5.488 16.362 8.080 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.555 17.745 8.450 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.332 15.692 8.807 1.00 0.00 C ATOM 0 H THR A 85 7.866 15.889 6.607 1.00 0.00 H new ATOM 0 HA THR A 85 7.085 15.876 9.446 1.00 0.00 H new ATOM 0 HB THR A 85 5.316 16.281 7.007 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.222 18.200 7.894 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.401 16.202 8.558 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.267 14.648 8.502 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.499 15.746 9.883 1.00 0.00 H new ATOM 1287 N THR A 86 6.106 13.503 9.246 1.00 0.00 N ATOM 1288 CA THR A 86 5.891 12.063 9.198 1.00 0.00 C ATOM 1289 C THR A 86 4.411 11.732 9.038 1.00 0.00 C ATOM 1290 O THR A 86 3.555 12.357 9.665 1.00 0.00 O ATOM 1291 CB THR A 86 6.425 11.372 10.467 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.811 11.684 10.648 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.247 9.864 10.378 1.00 0.00 C ATOM 0 H THR A 86 5.803 13.946 10.114 1.00 0.00 H new ATOM 0 HA THR A 86 6.439 11.691 8.332 1.00 0.00 H new ATOM 0 HB THR A 86 5.856 11.739 11.321 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.143 11.243 11.458 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.631 9.398 11.285 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.188 9.628 10.270 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.794 9.483 9.515 1.00 0.00 H new ATOM 1301 N TYR A 87 4.117 10.749 8.197 1.00 0.00 N ATOM 1302 CA TYR A 87 2.739 10.336 7.953 1.00 0.00 C ATOM 1303 C TYR A 87 2.621 8.816 7.934 1.00 0.00 C ATOM 1304 O TYR A 87 3.478 8.123 7.387 1.00 0.00 O ATOM 1305 CB TYR A 87 2.238 10.915 6.629 1.00 0.00 C ATOM 1306 CG TYR A 87 2.499 12.397 6.478 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.770 12.873 6.185 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.472 13.321 6.629 1.00 0.00 C ATOM 1309 CE1 TYR A 87 4.013 14.226 6.047 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.705 14.676 6.492 1.00 0.00 C ATOM 1311 CZ TYR A 87 2.977 15.123 6.202 1.00 0.00 C ATOM 1312 OH TYR A 87 3.213 16.472 6.064 1.00 0.00 O ATOM 0 H TYR A 87 4.814 10.222 7.671 1.00 0.00 H new ATOM 0 HA TYR A 87 2.122 10.719 8.766 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.717 10.385 5.806 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.167 10.733 6.545 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.583 12.173 6.063 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.475 12.974 6.857 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.008 14.579 5.819 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.896 15.381 6.611 1.00 0.00 H new ATOM 0 HH TYR A 87 4.026 16.609 5.534 1.00 0.00 H new ATOM 1322 N GLU A 88 1.551 8.305 8.535 1.00 0.00 N ATOM 1323 CA GLU A 88 1.319 6.866 8.588 1.00 0.00 C ATOM 1324 C GLU A 88 0.372 6.426 7.474 1.00 0.00 C ATOM 1325 O GLU A 88 -0.764 6.893 7.391 1.00 0.00 O ATOM 1326 CB GLU A 88 0.743 6.468 9.948 1.00 0.00 C ATOM 1327 CG GLU A 88 1.501 7.060 11.126 1.00 0.00 C ATOM 1328 CD GLU A 88 1.061 6.476 12.454 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -0.151 6.530 12.753 1.00 0.00 O ATOM 1330 OE2 GLU A 88 1.927 5.966 13.195 1.00 0.00 O ATOM 0 H GLU A 88 0.832 8.866 8.992 1.00 0.00 H new ATOM 0 HA GLU A 88 2.277 6.365 8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.298 6.786 10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.749 5.381 10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.568 6.885 10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.355 8.140 11.142 1.00 0.00 H new ATOM 1337 N ILE A 89 0.850 5.526 6.621 1.00 0.00 N ATOM 1338 CA ILE A 89 0.046 5.023 5.514 1.00 0.00 C ATOM 1339 C ILE A 89 -0.201 3.525 5.650 1.00 0.00 C ATOM 1340 O ILE A 89 0.616 2.799 6.219 1.00 0.00 O ATOM 1341 CB ILE A 89 0.722 5.300 4.158 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.251 4.286 3.113 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.235 5.257 4.301 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.626 4.659 1.696 1.00 0.00 C ATOM 0 H ILE A 89 1.789 5.131 6.675 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.907 5.550 5.551 1.00 0.00 H new ATOM 0 HB ILE A 89 0.437 6.298 3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.677 3.310 3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.832 4.185 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.698 5.455 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.554 6.014 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.539 4.272 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.260 3.895 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.178 5.620 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.710 4.731 1.614 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.331 3.066 5.122 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.686 1.654 5.184 1.00 0.00 C ATOM 1358 C ARG A 90 -2.408 1.218 3.913 1.00 0.00 C ATOM 1359 O ARG A 90 -3.392 1.835 3.503 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.569 1.380 6.404 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.433 2.563 6.807 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.202 2.281 8.089 1.00 0.00 C ATOM 1363 NE ARG A 90 -5.505 1.678 7.824 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.300 1.199 8.773 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -5.926 1.251 10.045 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -7.473 0.666 8.453 1.00 0.00 N ATOM 0 H ARG A 90 -2.017 3.652 4.646 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.765 1.078 5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.213 0.526 6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.935 1.100 7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.805 3.443 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.134 2.793 6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.617 1.615 8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.338 3.210 8.642 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.822 1.622 6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.026 1.660 10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.539 0.882 10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.765 0.624 7.477 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.082 0.298 9.184 1.00 0.00 H new ATOM 1380 N VAL A 91 -1.914 0.151 3.293 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.511 -0.367 2.069 1.00 0.00 C ATOM 1382 C VAL A 91 -3.406 -1.568 2.359 1.00 0.00 C ATOM 1383 O VAL A 91 -3.046 -2.447 3.141 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.433 -0.780 1.049 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -2.075 -1.227 -0.255 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.462 0.367 0.808 1.00 0.00 C ATOM 0 H VAL A 91 -1.101 -0.372 3.619 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.112 0.438 1.646 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.873 -1.621 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.298 -1.515 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.727 -2.079 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.660 -0.408 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.293 0.059 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.006 1.228 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.023 0.637 1.746 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.573 -1.596 1.725 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.518 -2.690 1.913 1.00 0.00 C ATOM 1398 C ALA A 92 -6.131 -3.120 0.584 1.00 0.00 C ATOM 1399 O ALA A 92 -6.115 -2.368 -0.390 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.608 -2.281 2.892 1.00 0.00 C ATOM 0 H ALA A 92 -4.887 -0.874 1.077 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.975 -3.541 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.307 -3.107 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.159 -2.029 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.140 -1.413 2.502 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.671 -4.333 0.553 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.291 -4.864 -0.656 1.00 0.00 C ATOM 1408 C ALA A 93 -8.810 -4.882 -0.530 1.00 0.00 C ATOM 1409 O ALA A 93 -9.356 -5.370 0.460 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.766 -6.261 -0.949 1.00 0.00 C ATOM 0 H ALA A 93 -6.692 -4.968 1.351 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.029 -4.209 -1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.237 -6.645 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.686 -6.221 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.998 -6.920 -0.112 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.489 -4.347 -1.540 1.00 0.00 N ATOM 1417 CA VAL A 94 -10.946 -4.303 -1.543 1.00 0.00 C ATOM 1418 C VAL A 94 -11.518 -5.084 -2.721 1.00 0.00 C ATOM 1419 O VAL A 94 -11.184 -4.820 -3.875 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.464 -2.853 -1.604 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -12.961 -2.831 -1.872 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -11.133 -2.116 -0.315 1.00 0.00 C ATOM 0 H VAL A 94 -9.053 -3.938 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.278 -4.761 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.965 -2.341 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.308 -1.799 -1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.167 -3.320 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.482 -3.359 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.506 -1.093 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.603 -2.625 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.053 -2.101 -0.172 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.382 -6.048 -2.420 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.001 -6.870 -3.455 1.00 0.00 C ATOM 1434 C ASN A 95 -14.520 -6.861 -3.320 1.00 0.00 C ATOM 1435 O ASN A 95 -15.063 -6.392 -2.320 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.479 -8.306 -3.376 1.00 0.00 C ATOM 1437 CG ASN A 95 -13.122 -9.093 -2.250 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -13.860 -8.541 -1.434 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -12.843 -10.391 -2.202 1.00 0.00 N ATOM 0 H ASN A 95 -12.670 -6.279 -1.469 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.737 -6.448 -4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.668 -8.811 -4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.398 -8.290 -3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.246 -10.972 -1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.226 -10.806 -2.900 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.202 -7.384 -4.335 1.00 0.00 N ATOM 1447 CA GLY A 96 -16.653 -7.427 -4.310 1.00 0.00 C ATOM 1448 C GLY A 96 -17.202 -7.650 -2.915 1.00 0.00 C ATOM 1449 O GLY A 96 -18.187 -7.026 -2.519 1.00 0.00 O ATOM 0 H GLY A 96 -14.776 -7.778 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.048 -6.492 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.001 -8.225 -4.966 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.566 -8.544 -2.166 1.00 0.00 N ATOM 1454 CA LYS A 97 -16.996 -8.851 -0.807 1.00 0.00 C ATOM 1455 C LYS A 97 -16.923 -7.611 0.079 1.00 0.00 C ATOM 1456 O LYS A 97 -17.915 -7.211 0.686 1.00 0.00 O ATOM 1457 CB LYS A 97 -16.131 -9.966 -0.215 1.00 0.00 C ATOM 1458 CG LYS A 97 -15.885 -11.118 -1.173 1.00 0.00 C ATOM 1459 CD LYS A 97 -17.187 -11.662 -1.737 1.00 0.00 C ATOM 1460 CE LYS A 97 -17.893 -12.565 -0.738 1.00 0.00 C ATOM 1461 NZ LYS A 97 -19.373 -12.531 -0.909 1.00 0.00 N ATOM 0 H LYS A 97 -15.749 -9.070 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.032 -9.187 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.172 -9.547 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.612 -10.349 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.246 -10.783 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.350 -11.915 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.842 -10.834 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.984 -12.219 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.537 -13.588 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.637 -12.256 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -19.818 -13.159 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.716 -11.559 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.619 -12.851 -1.868 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.741 -7.006 0.146 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.562 -5.817 0.959 1.00 0.00 C ATOM 1477 C GLY A 98 -14.101 -5.449 1.133 1.00 0.00 C ATOM 1478 O GLY A 98 -13.311 -5.560 0.195 1.00 0.00 O ATOM 0 H GLY A 98 -14.905 -7.318 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.092 -4.983 0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.012 -5.979 1.938 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.743 -5.007 2.334 1.00 0.00 N ATOM 1483 CA GLN A 99 -12.369 -4.619 2.626 1.00 0.00 C ATOM 1484 C GLN A 99 -11.719 -5.603 3.594 1.00 0.00 C ATOM 1485 O GLN A 99 -12.089 -5.671 4.766 1.00 0.00 O ATOM 1486 CB GLN A 99 -12.329 -3.206 3.211 1.00 0.00 C ATOM 1487 CG GLN A 99 -10.929 -2.739 3.576 1.00 0.00 C ATOM 1488 CD GLN A 99 -10.834 -1.231 3.712 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -11.540 -0.622 4.516 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -9.959 -0.620 2.922 1.00 0.00 N ATOM 0 H GLN A 99 -14.385 -4.909 3.120 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.808 -4.633 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.759 -2.511 2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.958 -3.172 4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.628 -3.204 4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.227 -3.076 2.813 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.394 -1.164 2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.852 0.393 2.967 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.749 -6.362 3.096 1.00 0.00 N ATOM 1500 CA GLY A 100 -10.063 -7.332 3.931 1.00 0.00 C ATOM 1501 C GLY A 100 -9.355 -6.688 5.106 1.00 0.00 C ATOM 1502 O GLY A 100 -9.916 -5.826 5.782 1.00 0.00 O ATOM 0 H GLY A 100 -10.425 -6.323 2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.783 -8.062 4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.337 -7.877 3.328 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.119 -7.108 5.352 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.332 -6.566 6.454 1.00 0.00 C ATOM 1508 C ASP A 101 -6.238 -5.638 5.936 1.00 0.00 C ATOM 1509 O ASP A 101 -5.597 -5.921 4.924 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.711 -7.701 7.271 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.756 -8.602 7.898 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -8.462 -9.305 7.146 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -7.868 -8.604 9.142 1.00 0.00 O ATOM 0 H ASP A 101 -7.640 -7.822 4.803 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.999 -5.989 7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.062 -8.295 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.082 -7.279 8.055 1.00 0.00 H new ATOM 1518 N TYR A 102 -6.032 -4.528 6.635 1.00 0.00 N ATOM 1519 CA TYR A 102 -5.018 -3.556 6.244 1.00 0.00 C ATOM 1520 C TYR A 102 -3.616 -4.086 6.528 1.00 0.00 C ATOM 1521 O TYR A 102 -3.398 -4.808 7.501 1.00 0.00 O ATOM 1522 CB TYR A 102 -5.236 -2.234 6.986 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.345 -1.389 6.403 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -7.678 -1.731 6.591 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -6.060 -0.248 5.662 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -8.695 -0.961 6.059 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -7.070 0.528 5.128 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.386 0.167 5.329 1.00 0.00 C ATOM 1529 OH TYR A 102 -9.395 0.937 4.798 1.00 0.00 O ATOM 0 H TYR A 102 -6.554 -4.279 7.475 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.111 -3.384 5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.463 -2.446 8.031 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.308 -1.662 6.972 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.924 -2.614 7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.031 0.037 5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.726 -1.241 6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.831 1.412 4.556 1.00 0.00 H new ATOM 0 HH TYR A 102 -10.263 0.554 5.045 1.00 0.00 H new ATOM 1539 N SER A 103 -2.668 -3.721 5.672 1.00 0.00 N ATOM 1540 CA SER A 103 -1.287 -4.161 5.827 1.00 0.00 C ATOM 1541 C SER A 103 -0.630 -3.479 7.023 1.00 0.00 C ATOM 1542 O SER A 103 -1.195 -2.560 7.617 1.00 0.00 O ATOM 1543 CB SER A 103 -0.489 -3.866 4.556 1.00 0.00 C ATOM 1544 OG SER A 103 -0.486 -2.480 4.265 1.00 0.00 O ATOM 0 H SER A 103 -2.831 -3.121 4.863 1.00 0.00 H new ATOM 0 HA SER A 103 -1.293 -5.237 6.002 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.536 -4.217 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.918 -4.416 3.718 1.00 0.00 H new ATOM 0 HG SER A 103 -1.334 -2.233 3.841 1.00 0.00 H new ATOM 1550 N LYS A 104 0.569 -3.934 7.371 1.00 0.00 N ATOM 1551 CA LYS A 104 1.306 -3.369 8.495 1.00 0.00 C ATOM 1552 C LYS A 104 1.441 -1.856 8.351 1.00 0.00 C ATOM 1553 O LYS A 104 1.952 -1.362 7.345 1.00 0.00 O ATOM 1554 CB LYS A 104 2.693 -4.007 8.595 1.00 0.00 C ATOM 1555 CG LYS A 104 3.268 -3.995 10.001 1.00 0.00 C ATOM 1556 CD LYS A 104 2.796 -5.194 10.807 1.00 0.00 C ATOM 1557 CE LYS A 104 3.710 -6.393 10.610 1.00 0.00 C ATOM 1558 NZ LYS A 104 3.605 -7.361 11.736 1.00 0.00 N ATOM 0 H LYS A 104 1.051 -4.693 6.890 1.00 0.00 H new ATOM 0 HA LYS A 104 0.748 -3.582 9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.636 -5.037 8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.375 -3.480 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.357 -3.996 9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.973 -3.076 10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.761 -4.932 11.864 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.781 -5.457 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.456 -6.894 9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.741 -6.052 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.243 -8.164 11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.872 -6.891 12.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.626 -7.706 11.807 1.00 0.00 H new ATOM 1572 N ILE A 105 0.981 -1.127 9.362 1.00 0.00 N ATOM 1573 CA ILE A 105 1.054 0.329 9.348 1.00 0.00 C ATOM 1574 C ILE A 105 2.437 0.807 8.920 1.00 0.00 C ATOM 1575 O ILE A 105 3.440 0.477 9.551 1.00 0.00 O ATOM 1576 CB ILE A 105 0.723 0.922 10.730 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.728 0.614 11.108 1.00 0.00 C ATOM 1578 CG2 ILE A 105 0.970 2.424 10.735 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.741 1.257 10.188 1.00 0.00 C ATOM 0 H ILE A 105 0.554 -1.520 10.201 1.00 0.00 H new ATOM 0 HA ILE A 105 0.314 0.675 8.626 1.00 0.00 H new ATOM 0 HB ILE A 105 1.377 0.463 11.472 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.876 -0.466 11.100 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.909 0.953 12.128 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.732 2.829 11.719 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.017 2.621 10.506 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.338 2.899 9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.747 0.996 10.516 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.620 2.340 10.214 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.587 0.899 9.170 1.00 0.00 H new ATOM 1591 N GLU A 106 2.481 1.586 7.844 1.00 0.00 N ATOM 1592 CA GLU A 106 3.742 2.111 7.333 1.00 0.00 C ATOM 1593 C GLU A 106 3.940 3.563 7.757 1.00 0.00 C ATOM 1594 O GLU A 106 2.979 4.328 7.854 1.00 0.00 O ATOM 1595 CB GLU A 106 3.783 2.003 5.806 1.00 0.00 C ATOM 1596 CG GLU A 106 4.031 0.591 5.303 1.00 0.00 C ATOM 1597 CD GLU A 106 5.087 -0.139 6.109 1.00 0.00 C ATOM 1598 OE1 GLU A 106 6.151 0.460 6.372 1.00 0.00 O ATOM 1599 OE2 GLU A 106 4.850 -1.309 6.476 1.00 0.00 O ATOM 0 H GLU A 106 1.659 1.867 7.310 1.00 0.00 H new ATOM 0 HA GLU A 106 4.551 1.515 7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.839 2.364 5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.566 2.658 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.098 0.028 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.340 0.631 4.258 1.00 0.00 H new ATOM 1606 N ILE A 107 5.190 3.934 8.007 1.00 0.00 N ATOM 1607 CA ILE A 107 5.514 5.294 8.420 1.00 0.00 C ATOM 1608 C ILE A 107 6.632 5.878 7.563 1.00 0.00 C ATOM 1609 O ILE A 107 7.773 5.416 7.610 1.00 0.00 O ATOM 1610 CB ILE A 107 5.937 5.347 9.901 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.896 4.648 10.776 1.00 0.00 C ATOM 1612 CG2 ILE A 107 6.128 6.790 10.345 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.423 4.246 12.136 1.00 0.00 C ATOM 0 H ILE A 107 5.995 3.313 7.931 1.00 0.00 H new ATOM 0 HA ILE A 107 4.610 5.888 8.287 1.00 0.00 H new ATOM 0 HB ILE A 107 6.887 4.824 10.012 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.040 5.310 10.908 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.535 3.760 10.258 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.427 6.812 11.393 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.902 7.258 9.737 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.192 7.335 10.223 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.631 3.756 12.703 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.260 3.559 12.013 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.758 5.133 12.673 1.00 0.00 H new ATOM 1625 N PHE A 108 6.297 6.898 6.778 1.00 0.00 N ATOM 1626 CA PHE A 108 7.273 7.546 5.910 1.00 0.00 C ATOM 1627 C PHE A 108 7.346 9.042 6.197 1.00 0.00 C ATOM 1628 O PHE A 108 6.321 9.704 6.361 1.00 0.00 O ATOM 1629 CB PHE A 108 6.914 7.313 4.441 1.00 0.00 C ATOM 1630 CG PHE A 108 5.667 8.032 4.008 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.676 9.403 3.807 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.487 7.336 3.802 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.533 10.067 3.407 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.340 7.995 3.403 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.362 9.363 3.206 1.00 0.00 C ATOM 0 H PHE A 108 5.358 7.293 6.726 1.00 0.00 H new ATOM 0 HA PHE A 108 8.250 7.107 6.112 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.746 7.637 3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.785 6.244 4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.588 9.959 3.965 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.463 6.267 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.555 11.136 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.426 7.441 3.245 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.466 9.880 2.896 1.00 0.00 H new ATOM 1645 N GLN A 109 8.565 9.570 6.255 1.00 0.00 N ATOM 1646 CA GLN A 109 8.772 10.987 6.523 1.00 0.00 C ATOM 1647 C GLN A 109 9.249 11.715 5.269 1.00 0.00 C ATOM 1648 O GLN A 109 10.301 11.395 4.714 1.00 0.00 O ATOM 1649 CB GLN A 109 9.789 11.172 7.650 1.00 0.00 C ATOM 1650 CG GLN A 109 10.224 12.615 7.847 1.00 0.00 C ATOM 1651 CD GLN A 109 11.419 12.744 8.771 1.00 0.00 C ATOM 1652 OE1 GLN A 109 11.885 11.758 9.343 1.00 0.00 O ATOM 1653 NE2 GLN A 109 11.923 13.963 8.922 1.00 0.00 N ATOM 0 H GLN A 109 9.424 9.037 6.120 1.00 0.00 H new ATOM 0 HA GLN A 109 7.818 11.415 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.359 10.801 8.580 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.667 10.562 7.439 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.469 13.052 6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.391 13.189 8.254 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.505 14.752 8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.728 14.110 9.531 1.00 0.00 H new ATOM 1662 N THR A 110 8.467 12.694 4.827 1.00 0.00 N ATOM 1663 CA THR A 110 8.807 13.465 3.637 1.00 0.00 C ATOM 1664 C THR A 110 10.203 14.067 3.754 1.00 0.00 C ATOM 1665 O THR A 110 10.846 13.974 4.801 1.00 0.00 O ATOM 1666 CB THR A 110 7.791 14.597 3.391 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.673 15.412 4.563 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.429 14.031 3.022 1.00 0.00 C ATOM 0 H THR A 110 7.594 12.972 5.275 1.00 0.00 H new ATOM 0 HA THR A 110 8.781 12.774 2.794 1.00 0.00 H new ATOM 0 HB THR A 110 8.151 15.205 2.561 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.873 15.973 4.492 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.729 14.849 2.853 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.517 13.435 2.114 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.064 13.403 3.834 1.00 0.00 H new ATOM 1676 N LEU A 111 10.668 14.685 2.674 1.00 0.00 N ATOM 1677 CA LEU A 111 11.989 15.303 2.655 1.00 0.00 C ATOM 1678 C LEU A 111 11.900 16.788 2.995 1.00 0.00 C ATOM 1679 O LEU A 111 10.959 17.483 2.611 1.00 0.00 O ATOM 1680 CB LEU A 111 12.639 15.121 1.282 1.00 0.00 C ATOM 1681 CG LEU A 111 12.829 13.679 0.815 1.00 0.00 C ATOM 1682 CD1 LEU A 111 13.131 13.634 -0.675 1.00 0.00 C ATOM 1683 CD2 LEU A 111 13.940 13.004 1.606 1.00 0.00 C ATOM 0 H LEU A 111 10.150 14.771 1.800 1.00 0.00 H new ATOM 0 HA LEU A 111 12.604 14.812 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.032 15.644 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.614 15.608 1.296 1.00 0.00 H new ATOM 0 HG LEU A 111 11.901 13.136 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.263 12.598 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.303 14.078 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.044 14.194 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.061 11.978 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.873 13.549 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.683 13.002 2.665 1.00 0.00 H new ATOM 1695 N PRO A 112 12.904 17.287 3.732 1.00 0.00 N ATOM 1696 CA PRO A 112 12.963 18.694 4.139 1.00 0.00 C ATOM 1697 C PRO A 112 13.233 19.626 2.962 1.00 0.00 C ATOM 1698 O PRO A 112 14.274 19.536 2.311 1.00 0.00 O ATOM 1699 CB PRO A 112 14.132 18.729 5.127 1.00 0.00 C ATOM 1700 CG PRO A 112 14.992 17.578 4.736 1.00 0.00 C ATOM 1701 CD PRO A 112 14.058 16.517 4.225 1.00 0.00 C ATOM 0 HA PRO A 112 12.019 19.036 4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.677 19.671 5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.784 18.632 6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.709 17.870 3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.567 17.214 5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.516 15.927 3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.770 15.822 5.013 1.00 0.00 H new ATOM 1709 N VAL A 113 12.288 20.522 2.695 1.00 0.00 N ATOM 1710 CA VAL A 113 12.424 21.472 1.596 1.00 0.00 C ATOM 1711 C VAL A 113 13.871 21.927 1.440 1.00 0.00 C ATOM 1712 O VAL A 113 14.463 22.479 2.367 1.00 0.00 O ATOM 1713 CB VAL A 113 11.529 22.708 1.810 1.00 0.00 C ATOM 1714 CG1 VAL A 113 11.706 23.698 0.668 1.00 0.00 C ATOM 1715 CG2 VAL A 113 10.072 22.293 1.947 1.00 0.00 C ATOM 0 H VAL A 113 11.420 20.610 3.224 1.00 0.00 H new ATOM 0 HA VAL A 113 12.108 20.956 0.689 1.00 0.00 H new ATOM 0 HB VAL A 113 11.831 23.199 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 113 11.067 24.565 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 113 12.747 24.018 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.432 23.221 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.454 23.178 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.754 21.778 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 113 9.963 21.625 2.801 1.00 0.00 H new