USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 834 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 79 THR OG1 : rot 57:sc= -0.669 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -13! C(o=-14!,f=-22!) USER MOD Set 1.3: A 102 HIS :FLIP no HD1:sc= -0.804 F(o=-19,f=-14) USER MOD Set 2.1: A 47 TYR OH : rot -167:sc= 1.16 USER MOD Set 2.2: A 49 CYS SG : rot -70:sc= -4.69! USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 25 ASN : amide:sc= -5.64! C(o=-5.6!,f=-5.4!) USER MOD Single : A 28 ASN : amide:sc= -0.163 K(o=-0.16,f=-3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.83 F(o=-2.5!,f=-1.8) USER MOD Single : A 44 CYS SG : rot 33:sc= -3.09! USER MOD Single : A 52 SER OG : rot 180:sc= -0.0965 USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.287) USER MOD Single : A 58 LYS NZ :NH3+ 143:sc= 0.849 (180deg=-0.848!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.08 K(o=-1.1,f=-4) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -1.16 F(o=-2.4,f=-1.2) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.281 K(o=-0.28,f=-2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 170:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0.662 K(o=0.66,f=-6.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -150:sc= -4.32! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 168:sc= 0 (180deg=-0.154) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-10!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 0.695 8.552 6.999 1.00 0.00 N ATOM 259 CA PRO A 21 0.650 7.710 5.816 1.00 0.00 C ATOM 260 C PRO A 21 -0.164 6.441 6.077 1.00 0.00 C ATOM 261 O PRO A 21 0.394 5.349 6.167 1.00 0.00 O ATOM 262 CB PRO A 21 2.105 7.424 5.481 1.00 0.00 C ATOM 263 CG PRO A 21 2.891 7.726 6.746 1.00 0.00 C ATOM 264 CD PRO A 21 1.984 8.505 7.684 1.00 0.00 C ATOM 0 HA PRO A 21 0.149 8.191 4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.239 6.386 5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.444 8.046 4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.225 6.802 7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.784 8.305 6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.900 8.013 8.653 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.371 9.507 7.868 1.00 0.00 H new ATOM 272 N THR A 22 -1.470 6.628 6.193 1.00 0.00 N ATOM 273 CA THR A 22 -2.367 5.512 6.442 1.00 0.00 C ATOM 274 C THR A 22 -3.090 5.110 5.155 1.00 0.00 C ATOM 275 O THR A 22 -2.823 5.666 4.090 1.00 0.00 O ATOM 276 CB THR A 22 -3.317 5.911 7.573 1.00 0.00 C ATOM 277 OG1 THR A 22 -4.338 6.660 6.920 1.00 0.00 O ATOM 278 CG2 THR A 22 -2.684 6.911 8.543 1.00 0.00 C ATOM 0 H THR A 22 -1.929 7.536 6.119 1.00 0.00 H new ATOM 0 HA THR A 22 -1.816 4.626 6.758 1.00 0.00 H new ATOM 0 HB THR A 22 -3.625 5.020 8.120 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.999 6.957 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.400 7.161 9.326 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.794 6.469 8.992 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.406 7.816 8.003 1.00 0.00 H new ATOM 286 N LEU A 23 -3.990 4.148 5.295 1.00 0.00 N ATOM 287 CA LEU A 23 -4.753 3.666 4.156 1.00 0.00 C ATOM 288 C LEU A 23 -5.885 4.650 3.853 1.00 0.00 C ATOM 289 O LEU A 23 -6.080 5.042 2.703 1.00 0.00 O ATOM 290 CB LEU A 23 -5.232 2.234 4.400 1.00 0.00 C ATOM 291 CG LEU A 23 -5.175 1.293 3.195 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.759 1.962 1.949 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.750 0.788 2.960 1.00 0.00 C ATOM 0 H LEU A 23 -4.208 3.689 6.180 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.124 3.620 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.632 1.803 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.261 2.272 4.758 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.793 0.422 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.706 1.272 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.799 2.230 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.188 2.861 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.738 0.121 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.090 1.635 2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.406 0.247 3.842 1.00 0.00 H new ATOM 305 N GLU A 24 -6.601 5.021 4.904 1.00 0.00 N ATOM 306 CA GLU A 24 -7.708 5.951 4.764 1.00 0.00 C ATOM 307 C GLU A 24 -7.184 7.361 4.481 1.00 0.00 C ATOM 308 O GLU A 24 -7.965 8.303 4.353 1.00 0.00 O ATOM 309 CB GLU A 24 -8.597 5.936 6.009 1.00 0.00 C ATOM 310 CG GLU A 24 -9.882 5.144 5.756 1.00 0.00 C ATOM 311 CD GLU A 24 -11.083 6.080 5.607 1.00 0.00 C ATOM 312 OE1 GLU A 24 -11.586 6.530 6.660 1.00 0.00 O ATOM 313 OE2 GLU A 24 -11.471 6.325 4.445 1.00 0.00 O ATOM 0 H GLU A 24 -6.436 4.694 5.856 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.318 5.635 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.052 5.495 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.846 6.958 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.771 4.543 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.055 4.453 6.581 1.00 0.00 H new ATOM 320 N ASN A 25 -5.866 7.461 4.393 1.00 0.00 N ATOM 321 CA ASN A 25 -5.229 8.740 4.127 1.00 0.00 C ATOM 322 C ASN A 25 -4.527 8.683 2.769 1.00 0.00 C ATOM 323 O ASN A 25 -4.029 9.696 2.281 1.00 0.00 O ATOM 324 CB ASN A 25 -4.177 9.062 5.190 1.00 0.00 C ATOM 325 CG ASN A 25 -3.191 10.117 4.684 1.00 0.00 C ATOM 326 OD1 ASN A 25 -3.515 11.284 4.533 1.00 0.00 O ATOM 327 ND2 ASN A 25 -1.975 9.644 4.432 1.00 0.00 N ATOM 0 H ASN A 25 -5.222 6.678 4.501 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.001 9.510 4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.667 9.422 6.095 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.637 8.154 5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.245 10.269 4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.771 8.656 4.580 1.00 0.00 H new ATOM 334 N LEU A 26 -4.509 7.488 2.198 1.00 0.00 N ATOM 335 CA LEU A 26 -3.876 7.286 0.905 1.00 0.00 C ATOM 336 C LEU A 26 -4.180 8.481 0.001 1.00 0.00 C ATOM 337 O LEU A 26 -3.307 8.952 -0.726 1.00 0.00 O ATOM 338 CB LEU A 26 -4.295 5.941 0.308 1.00 0.00 C ATOM 339 CG LEU A 26 -3.192 4.888 0.188 1.00 0.00 C ATOM 340 CD1 LEU A 26 -3.700 3.641 -0.539 1.00 0.00 C ATOM 341 CD2 LEU A 26 -1.946 5.472 -0.481 1.00 0.00 C ATOM 0 H LEU A 26 -4.922 6.650 2.606 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.793 7.237 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.098 5.529 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.709 6.120 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.904 4.580 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.896 2.909 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.534 3.211 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.032 3.914 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.178 4.702 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.201 5.826 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.570 6.305 0.114 1.00 0.00 H new ATOM 353 N GLU A 27 -5.422 8.939 0.075 1.00 0.00 N ATOM 354 CA GLU A 27 -5.852 10.071 -0.728 1.00 0.00 C ATOM 355 C GLU A 27 -5.114 11.339 -0.295 1.00 0.00 C ATOM 356 O GLU A 27 -4.600 12.079 -1.132 1.00 0.00 O ATOM 357 CB GLU A 27 -7.367 10.261 -0.640 1.00 0.00 C ATOM 358 CG GLU A 27 -8.102 8.952 -0.937 1.00 0.00 C ATOM 359 CD GLU A 27 -9.551 9.218 -1.352 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.337 9.595 -0.456 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.838 9.039 -2.555 1.00 0.00 O ATOM 0 H GLU A 27 -6.144 8.546 0.679 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.604 9.868 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.635 10.615 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.683 11.028 -1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.586 8.413 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.084 8.313 -0.054 1.00 0.00 H new ATOM 368 N ASN A 28 -5.085 11.552 1.013 1.00 0.00 N ATOM 369 CA ASN A 28 -4.419 12.718 1.567 1.00 0.00 C ATOM 370 C ASN A 28 -2.989 12.345 1.959 1.00 0.00 C ATOM 371 O ASN A 28 -2.457 12.858 2.942 1.00 0.00 O ATOM 372 CB ASN A 28 -5.138 13.219 2.821 1.00 0.00 C ATOM 373 CG ASN A 28 -6.568 13.655 2.496 1.00 0.00 C ATOM 374 OD1 ASN A 28 -7.088 13.416 1.419 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.173 14.307 3.485 1.00 0.00 N ATOM 0 H ASN A 28 -5.512 10.936 1.705 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.426 13.502 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.157 12.430 3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.587 14.056 3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.130 14.640 3.366 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.680 14.474 4.362 1.00 0.00 H new ATOM 382 N LEU A 29 -2.406 11.454 1.171 1.00 0.00 N ATOM 383 CA LEU A 29 -1.047 11.005 1.424 1.00 0.00 C ATOM 384 C LEU A 29 -0.096 11.695 0.444 1.00 0.00 C ATOM 385 O LEU A 29 -0.512 12.127 -0.631 1.00 0.00 O ATOM 386 CB LEU A 29 -0.971 9.478 1.382 1.00 0.00 C ATOM 387 CG LEU A 29 0.434 8.879 1.286 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.162 8.971 2.628 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.383 7.444 0.758 1.00 0.00 C ATOM 0 H LEU A 29 -2.850 11.030 0.356 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.732 11.289 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.451 9.085 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.553 9.128 0.529 1.00 0.00 H new ATOM 0 HG LEU A 29 1.007 9.466 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.158 8.538 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.248 10.016 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.600 8.424 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.394 7.042 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.214 6.829 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.068 7.437 -0.234 1.00 0.00 H new ATOM 401 N ASP A 30 1.162 11.779 0.849 1.00 0.00 N ATOM 402 CA ASP A 30 2.175 12.409 0.020 1.00 0.00 C ATOM 403 C ASP A 30 3.254 11.382 -0.329 1.00 0.00 C ATOM 404 O ASP A 30 4.077 11.029 0.514 1.00 0.00 O ATOM 405 CB ASP A 30 2.848 13.568 0.759 1.00 0.00 C ATOM 406 CG ASP A 30 4.024 14.210 0.020 1.00 0.00 C ATOM 407 OD1 ASP A 30 4.221 13.844 -1.159 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.699 15.052 0.651 1.00 0.00 O ATOM 0 H ASP A 30 1.503 11.421 1.741 1.00 0.00 H new ATOM 0 HA ASP A 30 1.688 12.787 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.100 14.336 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.199 13.208 1.726 1.00 0.00 H new ATOM 413 N VAL A 31 3.215 10.930 -1.574 1.00 0.00 N ATOM 414 CA VAL A 31 4.179 9.950 -2.045 1.00 0.00 C ATOM 415 C VAL A 31 5.535 10.630 -2.244 1.00 0.00 C ATOM 416 O VAL A 31 6.573 9.970 -2.224 1.00 0.00 O ATOM 417 CB VAL A 31 3.658 9.273 -3.314 1.00 0.00 C ATOM 418 CG1 VAL A 31 3.378 10.303 -4.410 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.636 8.203 -3.805 1.00 0.00 C ATOM 0 H VAL A 31 2.531 11.224 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 31 4.316 9.162 -1.305 1.00 0.00 H new ATOM 0 HB VAL A 31 2.717 8.781 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.009 9.795 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.628 11.012 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.297 10.837 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.242 7.737 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.599 8.664 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.764 7.445 -3.032 1.00 0.00 H new ATOM 429 N SER A 32 5.483 11.941 -2.430 1.00 0.00 N ATOM 430 CA SER A 32 6.694 12.717 -2.631 1.00 0.00 C ATOM 431 C SER A 32 7.229 13.212 -1.286 1.00 0.00 C ATOM 432 O SER A 32 8.005 14.164 -1.235 1.00 0.00 O ATOM 433 CB SER A 32 6.441 13.899 -3.569 1.00 0.00 C ATOM 434 OG SER A 32 7.417 13.978 -4.604 1.00 0.00 O ATOM 0 H SER A 32 4.620 12.485 -2.446 1.00 0.00 H new ATOM 0 HA SER A 32 7.440 12.072 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.450 13.804 -4.012 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.446 14.825 -2.994 1.00 0.00 H new ATOM 0 HG SER A 32 7.219 14.744 -5.182 1.00 0.00 H new ATOM 440 N ALA A 33 6.792 12.542 -0.229 1.00 0.00 N ATOM 441 CA ALA A 33 7.217 12.902 1.113 1.00 0.00 C ATOM 442 C ALA A 33 8.201 11.851 1.630 1.00 0.00 C ATOM 443 O ALA A 33 9.219 12.191 2.230 1.00 0.00 O ATOM 444 CB ALA A 33 5.990 13.047 2.015 1.00 0.00 C ATOM 0 H ALA A 33 6.148 11.752 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 33 7.733 13.862 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.308 13.317 3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.338 13.826 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.448 12.102 2.047 1.00 0.00 H new ATOM 450 N PHE A 34 7.862 10.595 1.380 1.00 0.00 N ATOM 451 CA PHE A 34 8.703 9.492 1.813 1.00 0.00 C ATOM 452 C PHE A 34 10.157 9.711 1.388 1.00 0.00 C ATOM 453 O PHE A 34 10.432 9.982 0.220 1.00 0.00 O ATOM 454 CB PHE A 34 8.170 8.229 1.133 1.00 0.00 C ATOM 455 CG PHE A 34 6.722 7.892 1.494 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.440 7.289 2.680 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.718 8.194 0.629 1.00 0.00 C ATOM 458 CE1 PHE A 34 5.097 6.975 3.015 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.374 7.881 0.964 1.00 0.00 C ATOM 460 CZ PHE A 34 4.092 7.278 2.150 1.00 0.00 C ATOM 0 H PHE A 34 7.016 10.316 0.883 1.00 0.00 H new ATOM 0 HA PHE A 34 8.679 9.410 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.245 8.351 0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.807 7.387 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.238 7.049 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.942 8.672 -0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.873 6.496 3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.576 8.122 0.277 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.070 7.040 2.405 1.00 0.00 H new ATOM 470 N GLN A 35 11.049 9.586 2.359 1.00 0.00 N ATOM 471 CA GLN A 35 12.467 9.767 2.101 1.00 0.00 C ATOM 472 C GLN A 35 13.083 8.464 1.587 1.00 0.00 C ATOM 473 O GLN A 35 14.226 8.452 1.131 1.00 0.00 O ATOM 474 CB GLN A 35 13.194 10.261 3.353 1.00 0.00 C ATOM 475 CG GLN A 35 14.695 9.980 3.262 1.00 0.00 C ATOM 476 CD GLN A 35 15.330 10.755 2.106 1.00 0.00 C ATOM 477 OE1 GLN A 35 16.147 10.027 1.350 1.00 0.00 O flip ATOM 478 NE2 GLN A 35 15.093 11.936 1.913 1.00 0.00 N flip ATOM 0 H GLN A 35 10.817 9.361 3.327 1.00 0.00 H new ATOM 0 HA GLN A 35 12.582 10.529 1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.028 11.331 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.781 9.771 4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.178 10.258 4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.861 8.912 3.122 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.455 12.436 2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.533 12.423 1.132 1.00 0.00 H new ATOM 487 N ALA A 36 12.300 7.400 1.678 1.00 0.00 N ATOM 488 CA ALA A 36 12.754 6.095 1.228 1.00 0.00 C ATOM 489 C ALA A 36 13.518 6.252 -0.088 1.00 0.00 C ATOM 490 O ALA A 36 13.406 7.279 -0.757 1.00 0.00 O ATOM 491 CB ALA A 36 11.555 5.154 1.098 1.00 0.00 C ATOM 0 H ALA A 36 11.353 7.415 2.057 1.00 0.00 H new ATOM 0 HA ALA A 36 13.436 5.654 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.896 4.175 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.065 5.054 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.849 5.562 0.374 1.00 0.00 H new ATOM 497 N PRO A 37 14.298 5.192 -0.430 1.00 0.00 N ATOM 498 CA PRO A 37 15.080 5.202 -1.655 1.00 0.00 C ATOM 499 C PRO A 37 14.187 4.983 -2.878 1.00 0.00 C ATOM 500 O PRO A 37 13.080 4.460 -2.757 1.00 0.00 O ATOM 501 CB PRO A 37 16.114 4.103 -1.470 1.00 0.00 C ATOM 502 CG PRO A 37 15.583 3.214 -0.357 1.00 0.00 C ATOM 503 CD PRO A 37 14.455 3.960 0.337 1.00 0.00 C ATOM 0 HA PRO A 37 15.565 6.161 -1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.251 3.536 -2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.085 4.521 -1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.223 2.269 -0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.376 2.975 0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.535 3.375 0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.701 4.170 1.378 1.00 0.00 H new ATOM 511 N GLU A 38 14.701 5.396 -4.027 1.00 0.00 N ATOM 512 CA GLU A 38 13.963 5.252 -5.271 1.00 0.00 C ATOM 513 C GLU A 38 13.964 3.790 -5.722 1.00 0.00 C ATOM 514 O GLU A 38 13.226 3.417 -6.633 1.00 0.00 O ATOM 515 CB GLU A 38 14.539 6.162 -6.358 1.00 0.00 C ATOM 516 CG GLU A 38 14.259 7.633 -6.046 1.00 0.00 C ATOM 517 CD GLU A 38 14.146 8.454 -7.332 1.00 0.00 C ATOM 518 OE1 GLU A 38 13.347 8.041 -8.201 1.00 0.00 O ATOM 519 OE2 GLU A 38 14.860 9.476 -7.418 1.00 0.00 O ATOM 0 H GLU A 38 15.619 5.830 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 38 12.931 5.557 -5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.614 6.002 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.104 5.902 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.335 7.718 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.058 8.035 -5.423 1.00 0.00 H new ATOM 526 N ASP A 39 14.801 3.001 -5.064 1.00 0.00 N ATOM 527 CA ASP A 39 14.908 1.588 -5.386 1.00 0.00 C ATOM 528 C ASP A 39 14.390 0.761 -4.208 1.00 0.00 C ATOM 529 O ASP A 39 14.759 -0.402 -4.053 1.00 0.00 O ATOM 530 CB ASP A 39 16.363 1.190 -5.641 1.00 0.00 C ATOM 531 CG ASP A 39 17.284 2.337 -6.060 1.00 0.00 C ATOM 532 OD1 ASP A 39 17.660 3.120 -5.161 1.00 0.00 O ATOM 533 OD2 ASP A 39 17.590 2.406 -7.270 1.00 0.00 O ATOM 0 H ASP A 39 15.412 3.314 -4.309 1.00 0.00 H new ATOM 0 HA ASP A 39 14.321 1.401 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.763 0.735 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.384 0.425 -6.418 1.00 0.00 H new ATOM 538 N LEU A 40 13.544 1.393 -3.408 1.00 0.00 N ATOM 539 CA LEU A 40 12.972 0.729 -2.249 1.00 0.00 C ATOM 540 C LEU A 40 12.549 -0.689 -2.636 1.00 0.00 C ATOM 541 O LEU A 40 13.080 -1.665 -2.107 1.00 0.00 O ATOM 542 CB LEU A 40 11.839 1.569 -1.656 1.00 0.00 C ATOM 543 CG LEU A 40 11.211 1.034 -0.368 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.283 0.735 0.682 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.143 1.993 0.161 1.00 0.00 C ATOM 0 H LEU A 40 13.241 2.358 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 40 13.716 0.635 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.220 2.572 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.054 1.666 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 40 10.713 0.092 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.810 0.356 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.974 -0.013 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.830 1.649 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.713 1.589 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.596 2.962 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.359 2.112 -0.586 1.00 0.00 H new ATOM 557 N LEU A 41 11.598 -0.759 -3.555 1.00 0.00 N ATOM 558 CA LEU A 41 11.097 -2.042 -4.019 1.00 0.00 C ATOM 559 C LEU A 41 11.739 -2.378 -5.367 1.00 0.00 C ATOM 560 O LEU A 41 11.055 -2.811 -6.293 1.00 0.00 O ATOM 561 CB LEU A 41 9.568 -2.041 -4.049 1.00 0.00 C ATOM 562 CG LEU A 41 8.878 -1.064 -3.095 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.596 -0.505 -3.715 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.621 -1.715 -1.735 1.00 0.00 C ATOM 0 H LEU A 41 11.160 0.052 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 41 11.378 -2.834 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.245 -1.815 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.219 -3.048 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 41 9.548 -0.221 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.125 0.187 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.838 0.021 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.910 -1.324 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.130 -0.999 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.981 -2.588 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.569 -2.023 -1.294 1.00 0.00 H new ATOM 576 N ASP A 42 13.045 -2.165 -5.434 1.00 0.00 N ATOM 577 CA ASP A 42 13.786 -2.440 -6.653 1.00 0.00 C ATOM 578 C ASP A 42 13.384 -3.814 -7.191 1.00 0.00 C ATOM 579 O ASP A 42 13.406 -4.802 -6.458 1.00 0.00 O ATOM 580 CB ASP A 42 15.293 -2.458 -6.389 1.00 0.00 C ATOM 581 CG ASP A 42 16.127 -3.178 -7.451 1.00 0.00 C ATOM 582 OD1 ASP A 42 15.861 -2.928 -8.646 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.012 -3.961 -7.043 1.00 0.00 O ATOM 0 H ASP A 42 13.609 -1.805 -4.664 1.00 0.00 H new ATOM 0 HA ASP A 42 13.555 -1.654 -7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.645 -1.430 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.472 -2.933 -5.424 1.00 0.00 H new ATOM 588 N GLY A 43 13.025 -3.833 -8.466 1.00 0.00 N ATOM 589 CA GLY A 43 12.618 -5.070 -9.111 1.00 0.00 C ATOM 590 C GLY A 43 11.606 -5.829 -8.250 1.00 0.00 C ATOM 591 O GLY A 43 11.694 -7.048 -8.111 1.00 0.00 O ATOM 0 H GLY A 43 13.007 -3.011 -9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.180 -4.850 -10.085 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.492 -5.696 -9.289 1.00 0.00 H new ATOM 595 N CYS A 44 10.667 -5.077 -7.696 1.00 0.00 N ATOM 596 CA CYS A 44 9.639 -5.663 -6.853 1.00 0.00 C ATOM 597 C CYS A 44 8.293 -5.516 -7.565 1.00 0.00 C ATOM 598 O CYS A 44 7.794 -4.405 -7.734 1.00 0.00 O ATOM 599 CB CYS A 44 9.620 -5.030 -5.460 1.00 0.00 C ATOM 600 SG CYS A 44 11.249 -5.242 -4.654 1.00 0.00 S ATOM 0 H CYS A 44 10.596 -4.066 -7.814 1.00 0.00 H new ATOM 0 HA CYS A 44 9.853 -6.720 -6.696 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.378 -3.970 -5.537 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.842 -5.492 -4.852 1.00 0.00 H new ATOM 0 HG CYS A 44 12.185 -5.221 -5.556 1.00 0.00 H new ATOM 606 N ARG A 45 7.743 -6.654 -7.963 1.00 0.00 N ATOM 607 CA ARG A 45 6.464 -6.666 -8.653 1.00 0.00 C ATOM 608 C ARG A 45 5.324 -6.878 -7.654 1.00 0.00 C ATOM 609 O ARG A 45 5.123 -7.987 -7.161 1.00 0.00 O ATOM 610 CB ARG A 45 6.419 -7.772 -9.710 1.00 0.00 C ATOM 611 CG ARG A 45 6.816 -7.232 -11.085 1.00 0.00 C ATOM 612 CD ARG A 45 7.093 -8.375 -12.063 1.00 0.00 C ATOM 613 NE ARG A 45 8.517 -8.772 -11.988 1.00 0.00 N ATOM 614 CZ ARG A 45 9.538 -7.976 -12.333 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.299 -6.735 -12.779 1.00 0.00 N ATOM 616 NH2 ARG A 45 10.798 -8.420 -12.231 1.00 0.00 N ATOM 0 H ARG A 45 8.160 -7.574 -7.821 1.00 0.00 H new ATOM 0 HA ARG A 45 6.344 -5.702 -9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.092 -8.580 -9.425 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.415 -8.194 -9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.019 -6.600 -11.475 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.703 -6.605 -10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.456 -9.228 -11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.847 -8.064 -13.078 1.00 0.00 H new ATOM 0 HE ARG A 45 8.735 -9.710 -11.653 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.340 -6.397 -12.856 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.076 -6.129 -13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.980 -9.364 -11.891 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.575 -7.814 -12.494 1.00 0.00 H new ATOM 630 N ILE A 46 4.607 -5.796 -7.385 1.00 0.00 N ATOM 631 CA ILE A 46 3.493 -5.850 -6.455 1.00 0.00 C ATOM 632 C ILE A 46 2.180 -5.715 -7.229 1.00 0.00 C ATOM 633 O ILE A 46 2.131 -5.053 -8.265 1.00 0.00 O ATOM 634 CB ILE A 46 3.666 -4.804 -5.351 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.011 -4.972 -4.642 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.492 -4.842 -4.371 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.734 -3.630 -4.513 1.00 0.00 C ATOM 0 H ILE A 46 4.776 -4.878 -7.795 1.00 0.00 H new ATOM 0 HA ILE A 46 3.467 -6.815 -5.948 1.00 0.00 H new ATOM 0 HB ILE A 46 3.667 -3.817 -5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.853 -5.401 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.634 -5.673 -5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.640 -4.089 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.565 -4.635 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.434 -5.829 -3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.687 -3.778 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.912 -3.216 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.119 -2.939 -3.936 1.00 0.00 H new ATOM 649 N TYR A 47 1.148 -6.354 -6.697 1.00 0.00 N ATOM 650 CA TYR A 47 -0.161 -6.314 -7.325 1.00 0.00 C ATOM 651 C TYR A 47 -1.150 -5.507 -6.482 1.00 0.00 C ATOM 652 O TYR A 47 -1.268 -5.727 -5.277 1.00 0.00 O ATOM 653 CB TYR A 47 -0.638 -7.766 -7.399 1.00 0.00 C ATOM 654 CG TYR A 47 -2.060 -7.927 -7.941 1.00 0.00 C ATOM 655 CD1 TYR A 47 -3.135 -7.469 -7.206 1.00 0.00 C ATOM 656 CD2 TYR A 47 -2.268 -8.531 -9.164 1.00 0.00 C ATOM 657 CE1 TYR A 47 -4.473 -7.621 -7.716 1.00 0.00 C ATOM 658 CE2 TYR A 47 -3.606 -8.683 -9.674 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.642 -8.220 -8.925 1.00 0.00 C ATOM 660 OH TYR A 47 -5.906 -8.363 -9.407 1.00 0.00 O ATOM 0 H TYR A 47 1.192 -6.902 -5.838 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.101 -5.843 -8.306 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.047 -8.331 -8.031 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.588 -8.205 -6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.972 -6.997 -6.248 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.427 -8.890 -9.739 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.323 -7.267 -7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.783 -9.154 -10.630 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.898 -8.982 -10.167 1.00 0.00 H new ATOM 670 N LEU A 48 -1.835 -4.588 -7.147 1.00 0.00 N ATOM 671 CA LEU A 48 -2.810 -3.747 -6.474 1.00 0.00 C ATOM 672 C LEU A 48 -4.185 -4.414 -6.541 1.00 0.00 C ATOM 673 O LEU A 48 -4.566 -4.956 -7.578 1.00 0.00 O ATOM 674 CB LEU A 48 -2.784 -2.330 -7.050 1.00 0.00 C ATOM 675 CG LEU A 48 -1.545 -1.494 -6.719 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.630 -0.110 -7.366 1.00 0.00 C ATOM 677 CD2 LEU A 48 -1.329 -1.409 -5.207 1.00 0.00 C ATOM 0 H LEU A 48 -1.734 -4.407 -8.146 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.558 -3.641 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.873 -2.398 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.664 -1.797 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.672 -1.993 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.738 0.464 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.700 -0.218 -8.448 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.513 0.411 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.443 -0.810 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.198 -0.945 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.192 -2.412 -4.802 1.00 0.00 H new ATOM 689 N CYS A 49 -4.894 -4.351 -5.423 1.00 0.00 N ATOM 690 CA CYS A 49 -6.219 -4.941 -5.343 1.00 0.00 C ATOM 691 C CYS A 49 -7.056 -4.111 -4.368 1.00 0.00 C ATOM 692 O CYS A 49 -6.859 -4.186 -3.156 1.00 0.00 O ATOM 693 CB CYS A 49 -6.158 -6.414 -4.933 1.00 0.00 C ATOM 694 SG CYS A 49 -7.502 -7.348 -5.752 1.00 0.00 S ATOM 0 H CYS A 49 -4.575 -3.900 -4.565 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.688 -4.925 -6.327 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.191 -6.836 -5.207 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.250 -6.503 -3.850 1.00 0.00 H new ATOM 0 HG CYS A 49 -8.646 -7.000 -5.241 1.00 0.00 H new ATOM 700 N GLY A 50 -7.973 -3.340 -4.933 1.00 0.00 N ATOM 701 CA GLY A 50 -8.841 -2.497 -4.128 1.00 0.00 C ATOM 702 C GLY A 50 -8.357 -1.045 -4.137 1.00 0.00 C ATOM 703 O GLY A 50 -8.115 -0.461 -3.082 1.00 0.00 O ATOM 0 H GLY A 50 -8.134 -3.281 -5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.860 -2.547 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.867 -2.869 -3.104 1.00 0.00 H new ATOM 707 N PHE A 51 -8.232 -0.505 -5.340 1.00 0.00 N ATOM 708 CA PHE A 51 -7.782 0.868 -5.501 1.00 0.00 C ATOM 709 C PHE A 51 -8.246 1.444 -6.840 1.00 0.00 C ATOM 710 O PHE A 51 -8.077 0.814 -7.883 1.00 0.00 O ATOM 711 CB PHE A 51 -6.252 0.843 -5.472 1.00 0.00 C ATOM 712 CG PHE A 51 -5.662 0.375 -4.141 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.972 1.032 -2.991 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.827 -0.698 -4.107 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.425 0.597 -1.755 1.00 0.00 C ATOM 716 CE2 PHE A 51 -4.280 -1.133 -2.871 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.590 -0.476 -1.721 1.00 0.00 C ATOM 0 H PHE A 51 -8.434 -0.993 -6.213 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.194 1.490 -4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.895 0.188 -6.266 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.878 1.843 -5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.634 1.885 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.580 -1.219 -5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.672 1.118 -0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.618 -1.986 -2.844 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.173 -0.806 -0.781 1.00 0.00 H new ATOM 727 N SER A 52 -8.822 2.635 -6.768 1.00 0.00 N ATOM 728 CA SER A 52 -9.312 3.303 -7.962 1.00 0.00 C ATOM 729 C SER A 52 -9.009 4.800 -7.885 1.00 0.00 C ATOM 730 O SER A 52 -8.337 5.347 -8.758 1.00 0.00 O ATOM 731 CB SER A 52 -10.813 3.074 -8.144 1.00 0.00 C ATOM 732 OG SER A 52 -11.559 3.484 -7.001 1.00 0.00 O ATOM 0 H SER A 52 -8.960 3.155 -5.901 1.00 0.00 H new ATOM 0 HA SER A 52 -8.800 2.879 -8.826 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.160 3.623 -9.019 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.998 2.017 -8.337 1.00 0.00 H new ATOM 0 HG SER A 52 -12.513 3.323 -7.158 1.00 0.00 H new ATOM 738 N GLY A 53 -9.519 5.422 -6.831 1.00 0.00 N ATOM 739 CA GLY A 53 -9.312 6.845 -6.629 1.00 0.00 C ATOM 740 C GLY A 53 -7.824 7.166 -6.473 1.00 0.00 C ATOM 741 O GLY A 53 -6.990 6.632 -7.203 1.00 0.00 O ATOM 0 H GLY A 53 -10.075 4.965 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.721 7.399 -7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.853 7.172 -5.741 1.00 0.00 H new ATOM 745 N ARG A 54 -7.536 8.036 -5.516 1.00 0.00 N ATOM 746 CA ARG A 54 -6.163 8.434 -5.255 1.00 0.00 C ATOM 747 C ARG A 54 -5.346 7.235 -4.768 1.00 0.00 C ATOM 748 O ARG A 54 -4.185 7.077 -5.143 1.00 0.00 O ATOM 749 CB ARG A 54 -6.102 9.544 -4.203 1.00 0.00 C ATOM 750 CG ARG A 54 -6.649 10.859 -4.762 1.00 0.00 C ATOM 751 CD ARG A 54 -7.929 11.274 -4.034 1.00 0.00 C ATOM 752 NE ARG A 54 -8.976 11.633 -5.016 1.00 0.00 N ATOM 753 CZ ARG A 54 -8.967 12.755 -5.748 1.00 0.00 C ATOM 754 NH1 ARG A 54 -7.965 13.634 -5.614 1.00 0.00 N ATOM 755 NH2 ARG A 54 -9.960 12.997 -6.615 1.00 0.00 N ATOM 0 H ARG A 54 -8.230 8.476 -4.912 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.744 8.809 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.678 9.250 -3.325 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.072 9.684 -3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.898 11.642 -4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.852 10.749 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.277 10.458 -3.400 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.726 12.122 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.754 10.985 -5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.209 13.449 -4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.958 14.488 -6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.722 12.327 -6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.953 13.851 -7.172 1.00 0.00 H new ATOM 769 N LYS A 55 -5.985 6.421 -3.941 1.00 0.00 N ATOM 770 CA LYS A 55 -5.332 5.241 -3.399 1.00 0.00 C ATOM 771 C LYS A 55 -4.495 4.579 -4.495 1.00 0.00 C ATOM 772 O LYS A 55 -3.351 4.192 -4.259 1.00 0.00 O ATOM 773 CB LYS A 55 -6.361 4.305 -2.762 1.00 0.00 C ATOM 774 CG LYS A 55 -7.329 5.082 -1.867 1.00 0.00 C ATOM 775 CD LYS A 55 -7.967 4.164 -0.822 1.00 0.00 C ATOM 776 CE LYS A 55 -7.824 4.752 0.583 1.00 0.00 C ATOM 777 NZ LYS A 55 -9.149 5.133 1.123 1.00 0.00 N ATOM 0 H LYS A 55 -6.948 6.555 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.647 5.518 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.918 3.786 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.850 3.542 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.798 5.893 -1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.107 5.539 -2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.022 4.020 -1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.496 3.182 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.352 4.024 1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.172 5.625 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.027 5.844 1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.733 5.531 0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.619 4.292 1.516 1.00 0.00 H new ATOM 791 N LEU A 56 -5.096 4.469 -5.670 1.00 0.00 N ATOM 792 CA LEU A 56 -4.419 3.860 -6.803 1.00 0.00 C ATOM 793 C LEU A 56 -3.280 4.773 -7.262 1.00 0.00 C ATOM 794 O LEU A 56 -2.108 4.440 -7.094 1.00 0.00 O ATOM 795 CB LEU A 56 -5.422 3.525 -7.909 1.00 0.00 C ATOM 796 CG LEU A 56 -4.875 2.719 -9.089 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.811 1.723 -8.625 1.00 0.00 C ATOM 798 CD2 LEU A 56 -6.007 2.033 -9.856 1.00 0.00 C ATOM 0 H LEU A 56 -6.044 4.791 -5.863 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.970 2.910 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.248 2.969 -7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.835 4.458 -8.292 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.391 3.409 -9.780 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.438 1.163 -9.483 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.987 2.262 -8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.248 1.033 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.591 1.467 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.541 1.357 -9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.697 2.786 -10.237 1.00 0.00 H new ATOM 810 N ASP A 57 -3.665 5.906 -7.831 1.00 0.00 N ATOM 811 CA ASP A 57 -2.690 6.868 -8.315 1.00 0.00 C ATOM 812 C ASP A 57 -1.520 6.942 -7.331 1.00 0.00 C ATOM 813 O ASP A 57 -0.364 7.029 -7.741 1.00 0.00 O ATOM 814 CB ASP A 57 -3.304 8.266 -8.425 1.00 0.00 C ATOM 815 CG ASP A 57 -3.256 8.885 -9.823 1.00 0.00 C ATOM 816 OD1 ASP A 57 -2.172 9.394 -10.182 1.00 0.00 O ATOM 817 OD2 ASP A 57 -4.304 8.835 -10.502 1.00 0.00 O ATOM 0 H ASP A 57 -4.638 6.179 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.355 6.542 -9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.344 8.216 -8.102 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.786 8.929 -7.732 1.00 0.00 H new ATOM 822 N LYS A 58 -1.862 6.904 -6.051 1.00 0.00 N ATOM 823 CA LYS A 58 -0.854 6.965 -5.006 1.00 0.00 C ATOM 824 C LYS A 58 0.107 5.784 -5.160 1.00 0.00 C ATOM 825 O LYS A 58 1.275 5.970 -5.497 1.00 0.00 O ATOM 826 CB LYS A 58 -1.516 7.043 -3.629 1.00 0.00 C ATOM 827 CG LYS A 58 -2.172 8.409 -3.412 1.00 0.00 C ATOM 828 CD LYS A 58 -1.196 9.388 -2.755 1.00 0.00 C ATOM 829 CE LYS A 58 -1.788 10.798 -2.702 1.00 0.00 C ATOM 830 NZ LYS A 58 -0.767 11.802 -3.076 1.00 0.00 N ATOM 0 H LYS A 58 -2.822 6.832 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.260 7.874 -5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.266 6.257 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.771 6.866 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.508 8.811 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.057 8.296 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.960 9.050 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.260 9.403 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.640 10.867 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.160 11.005 -1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.214 12.563 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.341 12.201 -2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.028 11.348 -3.649 1.00 0.00 H new ATOM 844 N LEU A 59 -0.421 4.596 -4.906 1.00 0.00 N ATOM 845 CA LEU A 59 0.375 3.385 -5.012 1.00 0.00 C ATOM 846 C LEU A 59 1.129 3.391 -6.344 1.00 0.00 C ATOM 847 O LEU A 59 2.287 2.981 -6.407 1.00 0.00 O ATOM 848 CB LEU A 59 -0.501 2.148 -4.807 1.00 0.00 C ATOM 849 CG LEU A 59 -0.914 1.850 -3.364 1.00 0.00 C ATOM 850 CD1 LEU A 59 -1.900 0.681 -3.306 1.00 0.00 C ATOM 851 CD2 LEU A 59 0.312 1.611 -2.481 1.00 0.00 C ATOM 0 H LEU A 59 -1.391 4.446 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 59 1.124 3.351 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.404 2.264 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.032 1.281 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.429 2.725 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.177 0.490 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.792 0.929 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.433 -0.210 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.010 1.401 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.877 0.762 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.944 2.499 -2.487 1.00 0.00 H new ATOM 863 N ARG A 60 0.441 3.860 -7.374 1.00 0.00 N ATOM 864 CA ARG A 60 1.031 3.924 -8.701 1.00 0.00 C ATOM 865 C ARG A 60 2.324 4.743 -8.667 1.00 0.00 C ATOM 866 O ARG A 60 3.251 4.476 -9.430 1.00 0.00 O ATOM 867 CB ARG A 60 0.063 4.554 -9.704 1.00 0.00 C ATOM 868 CG ARG A 60 -1.092 3.602 -10.023 1.00 0.00 C ATOM 869 CD ARG A 60 -1.877 4.082 -11.246 1.00 0.00 C ATOM 870 NE ARG A 60 -1.707 3.127 -12.363 1.00 0.00 N ATOM 871 CZ ARG A 60 -2.270 3.276 -13.570 1.00 0.00 C ATOM 872 NH1 ARG A 60 -3.043 4.341 -13.822 1.00 0.00 N ATOM 873 NH2 ARG A 60 -2.061 2.359 -14.525 1.00 0.00 N ATOM 0 H ARG A 60 -0.519 4.199 -7.317 1.00 0.00 H new ATOM 0 HA ARG A 60 1.250 2.904 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.331 5.486 -9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.596 4.805 -10.621 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.702 2.601 -10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.758 3.532 -9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.934 4.177 -10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.530 5.071 -11.546 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.125 2.304 -12.205 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.203 5.038 -13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.471 4.454 -14.741 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.473 1.548 -14.333 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.490 2.473 -15.444 1.00 0.00 H new ATOM 887 N ARG A 61 2.343 5.723 -7.776 1.00 0.00 N ATOM 888 CA ARG A 61 3.506 6.582 -7.634 1.00 0.00 C ATOM 889 C ARG A 61 4.424 6.053 -6.530 1.00 0.00 C ATOM 890 O ARG A 61 5.645 6.175 -6.622 1.00 0.00 O ATOM 891 CB ARG A 61 3.093 8.017 -7.301 1.00 0.00 C ATOM 892 CG ARG A 61 2.351 8.661 -8.473 1.00 0.00 C ATOM 893 CD ARG A 61 2.154 10.160 -8.242 1.00 0.00 C ATOM 894 NE ARG A 61 1.564 10.785 -9.447 1.00 0.00 N ATOM 895 CZ ARG A 61 1.426 12.107 -9.615 1.00 0.00 C ATOM 896 NH1 ARG A 61 1.833 12.951 -8.658 1.00 0.00 N ATOM 897 NH2 ARG A 61 0.879 12.585 -10.742 1.00 0.00 N ATOM 0 H ARG A 61 1.572 5.941 -7.145 1.00 0.00 H new ATOM 0 HA ARG A 61 4.038 6.581 -8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.455 8.020 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.977 8.606 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.912 8.502 -9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.382 8.179 -8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.503 10.321 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.110 10.629 -8.010 1.00 0.00 H new ATOM 0 HE ARG A 61 1.243 10.171 -10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.248 12.587 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.728 13.957 -8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.568 11.942 -11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.774 13.591 -10.871 1.00 0.00 H new ATOM 911 N LEU A 62 3.802 5.478 -5.512 1.00 0.00 N ATOM 912 CA LEU A 62 4.548 4.930 -4.392 1.00 0.00 C ATOM 913 C LEU A 62 5.348 3.714 -4.863 1.00 0.00 C ATOM 914 O LEU A 62 6.576 3.711 -4.797 1.00 0.00 O ATOM 915 CB LEU A 62 3.612 4.634 -3.218 1.00 0.00 C ATOM 916 CG LEU A 62 3.590 5.676 -2.098 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.268 6.445 -2.090 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.885 5.030 -0.743 1.00 0.00 C ATOM 0 H LEU A 62 2.789 5.379 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 62 5.267 5.660 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.599 4.525 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.894 3.673 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 62 4.382 6.400 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.279 7.179 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.138 6.955 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.443 5.749 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.863 5.792 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.132 4.272 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.871 4.565 -0.768 1.00 0.00 H new ATOM 930 N ILE A 63 4.618 2.711 -5.328 1.00 0.00 N ATOM 931 CA ILE A 63 5.244 1.491 -5.810 1.00 0.00 C ATOM 932 C ILE A 63 6.380 1.851 -6.770 1.00 0.00 C ATOM 933 O ILE A 63 7.487 1.326 -6.652 1.00 0.00 O ATOM 934 CB ILE A 63 4.198 0.556 -6.420 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.410 -0.171 -5.328 1.00 0.00 C ATOM 936 CG2 ILE A 63 4.842 -0.418 -7.408 1.00 0.00 C ATOM 937 CD1 ILE A 63 1.907 -0.126 -5.615 1.00 0.00 C ATOM 0 H ILE A 63 3.599 2.718 -5.381 1.00 0.00 H new ATOM 0 HA ILE A 63 5.688 0.938 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 63 3.486 1.160 -6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.741 -1.208 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.613 0.288 -4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.076 -1.071 -7.827 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.320 0.142 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.589 -1.020 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.370 -0.650 -4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.575 0.911 -5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.705 -0.608 -6.572 1.00 0.00 H new ATOM 949 N ASN A 64 6.068 2.744 -7.697 1.00 0.00 N ATOM 950 CA ASN A 64 7.049 3.180 -8.676 1.00 0.00 C ATOM 951 C ASN A 64 8.143 3.986 -7.972 1.00 0.00 C ATOM 952 O ASN A 64 9.327 3.809 -8.252 1.00 0.00 O ATOM 953 CB ASN A 64 6.408 4.079 -9.736 1.00 0.00 C ATOM 954 CG ASN A 64 6.289 3.349 -11.075 1.00 0.00 C ATOM 955 OD1 ASN A 64 5.266 2.774 -11.410 1.00 0.00 O ATOM 956 ND2 ASN A 64 7.390 3.403 -11.820 1.00 0.00 N ATOM 0 H ASN A 64 5.150 3.178 -7.791 1.00 0.00 H new ATOM 0 HA ASN A 64 7.462 2.293 -9.157 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.420 4.395 -9.401 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.006 4.982 -9.862 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.412 2.946 -12.732 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.212 3.902 -11.480 1.00 0.00 H new ATOM 963 N SER A 65 7.706 4.855 -7.072 1.00 0.00 N ATOM 964 CA SER A 65 8.633 5.688 -6.326 1.00 0.00 C ATOM 965 C SER A 65 9.741 4.825 -5.718 1.00 0.00 C ATOM 966 O SER A 65 10.909 5.210 -5.730 1.00 0.00 O ATOM 967 CB SER A 65 7.909 6.472 -5.229 1.00 0.00 C ATOM 968 OG SER A 65 8.819 7.059 -4.303 1.00 0.00 O ATOM 0 H SER A 65 6.723 5.000 -6.843 1.00 0.00 H new ATOM 0 HA SER A 65 9.078 6.406 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.300 7.253 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.229 5.807 -4.697 1.00 0.00 H new ATOM 0 HG SER A 65 8.318 7.552 -3.620 1.00 0.00 H new ATOM 974 N GLY A 66 9.335 3.674 -5.202 1.00 0.00 N ATOM 975 CA GLY A 66 10.278 2.753 -4.592 1.00 0.00 C ATOM 976 C GLY A 66 10.981 1.905 -5.653 1.00 0.00 C ATOM 977 O GLY A 66 11.734 0.990 -5.323 1.00 0.00 O ATOM 0 H GLY A 66 8.365 3.358 -5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.018 3.311 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.755 2.103 -3.890 1.00 0.00 H new ATOM 981 N GLY A 67 10.711 2.239 -6.906 1.00 0.00 N ATOM 982 CA GLY A 67 11.309 1.520 -8.018 1.00 0.00 C ATOM 983 C GLY A 67 10.531 0.238 -8.324 1.00 0.00 C ATOM 984 O GLY A 67 10.769 -0.409 -9.342 1.00 0.00 O ATOM 0 H GLY A 67 10.086 2.998 -7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.327 2.159 -8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.344 1.274 -7.782 1.00 0.00 H new ATOM 988 N GLY A 68 9.616 -0.090 -7.423 1.00 0.00 N ATOM 989 CA GLY A 68 8.801 -1.282 -7.583 1.00 0.00 C ATOM 990 C GLY A 68 7.986 -1.219 -8.876 1.00 0.00 C ATOM 991 O GLY A 68 7.864 -0.158 -9.486 1.00 0.00 O ATOM 0 H GLY A 68 9.421 0.449 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.440 -2.165 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.130 -1.385 -6.730 1.00 0.00 H new ATOM 995 N VAL A 69 7.448 -2.369 -9.256 1.00 0.00 N ATOM 996 CA VAL A 69 6.648 -2.458 -10.465 1.00 0.00 C ATOM 997 C VAL A 69 5.225 -2.884 -10.099 1.00 0.00 C ATOM 998 O VAL A 69 5.004 -4.013 -9.662 1.00 0.00 O ATOM 999 CB VAL A 69 7.316 -3.402 -11.467 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.314 -3.884 -12.518 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.525 -2.735 -12.126 1.00 0.00 C ATOM 0 H VAL A 69 7.551 -3.247 -8.747 1.00 0.00 H new ATOM 0 HA VAL A 69 6.581 -1.485 -10.951 1.00 0.00 H new ATOM 0 HB VAL A 69 7.672 -4.275 -10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.814 -4.553 -13.218 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.499 -4.416 -12.027 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.914 -3.027 -13.059 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.982 -3.427 -12.834 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.203 -1.837 -12.653 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.253 -2.465 -11.361 1.00 0.00 H new ATOM 1011 N ARG A 70 4.296 -1.959 -10.292 1.00 0.00 N ATOM 1012 CA ARG A 70 2.900 -2.225 -9.987 1.00 0.00 C ATOM 1013 C ARG A 70 2.276 -3.098 -11.078 1.00 0.00 C ATOM 1014 O ARG A 70 2.276 -2.727 -12.251 1.00 0.00 O ATOM 1015 CB ARG A 70 2.105 -0.923 -9.868 1.00 0.00 C ATOM 1016 CG ARG A 70 0.619 -1.208 -9.642 1.00 0.00 C ATOM 1017 CD ARG A 70 -0.253 -0.244 -10.450 1.00 0.00 C ATOM 1018 NE ARG A 70 -0.211 -0.606 -11.885 1.00 0.00 N ATOM 1019 CZ ARG A 70 -1.173 -0.299 -12.765 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -2.259 0.376 -12.363 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -1.050 -0.668 -14.047 1.00 0.00 N ATOM 0 H ARG A 70 4.483 -1.025 -10.656 1.00 0.00 H new ATOM 0 HA ARG A 70 2.863 -2.749 -9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.495 -0.329 -9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.232 -0.331 -10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.394 -2.235 -9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.384 -1.115 -8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.280 -0.279 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.099 0.779 -10.314 1.00 0.00 H new ATOM 0 HE ARG A 70 0.601 -1.121 -12.225 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.353 0.656 -11.387 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.991 0.610 -13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.224 -1.183 -14.353 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.782 -0.434 -14.717 1.00 0.00 H new ATOM 1035 N PHE A 71 1.759 -4.241 -10.653 1.00 0.00 N ATOM 1036 CA PHE A 71 1.134 -5.170 -11.579 1.00 0.00 C ATOM 1037 C PHE A 71 -0.392 -5.096 -11.482 1.00 0.00 C ATOM 1038 O PHE A 71 -0.973 -5.500 -10.476 1.00 0.00 O ATOM 1039 CB PHE A 71 1.591 -6.574 -11.181 1.00 0.00 C ATOM 1040 CG PHE A 71 2.665 -7.162 -12.099 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.692 -6.383 -12.530 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.591 -8.464 -12.485 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.689 -6.928 -13.382 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.587 -9.010 -13.337 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.615 -8.230 -13.768 1.00 0.00 C ATOM 0 H PHE A 71 1.760 -4.545 -9.679 1.00 0.00 H new ATOM 0 HA PHE A 71 1.419 -4.925 -12.602 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.975 -6.545 -10.161 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.727 -7.239 -11.177 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.750 -5.349 -12.224 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.774 -9.083 -12.143 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.505 -6.309 -13.723 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.529 -10.044 -13.643 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.372 -8.645 -14.417 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.996 -4.578 -12.541 1.00 0.00 N ATOM 1056 CA ASN A 72 -2.442 -4.447 -12.588 1.00 0.00 C ATOM 1057 C ASN A 72 -3.073 -5.838 -12.682 1.00 0.00 C ATOM 1058 O ASN A 72 -4.260 -6.005 -12.404 1.00 0.00 O ATOM 1059 CB ASN A 72 -2.883 -3.644 -13.813 1.00 0.00 C ATOM 1060 CG ASN A 72 -2.710 -4.460 -15.095 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -1.719 -5.142 -15.299 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -3.727 -4.352 -15.946 1.00 0.00 N ATOM 0 H ASN A 72 -0.510 -4.244 -13.373 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.763 -3.930 -11.684 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.927 -3.350 -13.703 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.299 -2.726 -13.880 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.707 -4.858 -16.832 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.527 -3.763 -15.713 1.00 0.00 H new ATOM 1069 N GLN A 73 -2.252 -6.800 -13.076 1.00 0.00 N ATOM 1070 CA GLN A 73 -2.715 -8.170 -13.211 1.00 0.00 C ATOM 1071 C GLN A 73 -1.905 -9.096 -12.301 1.00 0.00 C ATOM 1072 O GLN A 73 -0.823 -8.732 -11.843 1.00 0.00 O ATOM 1073 CB GLN A 73 -2.643 -8.633 -14.667 1.00 0.00 C ATOM 1074 CG GLN A 73 -3.676 -7.901 -15.526 1.00 0.00 C ATOM 1075 CD GLN A 73 -3.935 -8.655 -16.833 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -3.140 -8.636 -17.758 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -5.089 -9.316 -16.856 1.00 0.00 N ATOM 0 H GLN A 73 -1.269 -6.658 -13.306 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.760 -8.211 -12.903 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.643 -8.452 -15.061 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.817 -9.708 -14.720 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.608 -7.797 -14.971 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.323 -6.894 -15.747 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.708 -9.289 -16.046 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.355 -9.850 -17.684 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.460 -10.276 -12.066 1.00 0.00 N ATOM 1087 CA LEU A 74 -1.802 -11.257 -11.219 1.00 0.00 C ATOM 1088 C LEU A 74 -1.329 -12.431 -12.078 1.00 0.00 C ATOM 1089 O LEU A 74 -1.827 -12.636 -13.184 1.00 0.00 O ATOM 1090 CB LEU A 74 -2.719 -11.670 -10.066 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.121 -11.561 -8.662 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -3.194 -11.190 -7.636 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -1.382 -12.845 -8.279 1.00 0.00 C ATOM 0 H LEU A 74 -3.358 -10.575 -12.447 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.916 -10.825 -10.753 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.618 -11.055 -10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.031 -12.702 -10.228 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.387 -10.756 -8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.742 -11.119 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.636 -10.230 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.969 -11.956 -7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.967 -12.741 -7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.077 -13.684 -8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.575 -13.026 -8.989 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.373 -13.172 -11.537 1.00 0.00 N ATOM 1106 CA ASN A 75 0.173 -14.320 -12.241 1.00 0.00 C ATOM 1107 C ASN A 75 1.504 -14.720 -11.600 1.00 0.00 C ATOM 1108 O ASN A 75 1.904 -14.150 -10.586 1.00 0.00 O ATOM 1109 CB ASN A 75 0.437 -13.990 -13.711 1.00 0.00 C ATOM 1110 CG ASN A 75 1.181 -12.661 -13.850 1.00 0.00 C ATOM 1111 OD1 ASN A 75 2.482 -12.738 -13.584 1.00 0.00 O flip ATOM 1112 ND2 ASN A 75 0.613 -11.632 -14.178 1.00 0.00 N flip ATOM 0 H ASN A 75 0.037 -13.000 -10.619 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.553 -15.131 -12.178 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.023 -14.788 -14.167 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.508 -13.940 -14.251 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.389 -11.641 -14.368 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.140 -10.763 -14.262 1.00 0.00 H new ATOM 1119 N GLU A 76 2.152 -15.696 -12.218 1.00 0.00 N ATOM 1120 CA GLU A 76 3.429 -16.179 -11.720 1.00 0.00 C ATOM 1121 C GLU A 76 4.509 -15.110 -11.905 1.00 0.00 C ATOM 1122 O GLU A 76 5.218 -15.107 -12.909 1.00 0.00 O ATOM 1123 CB GLU A 76 3.827 -17.485 -12.409 1.00 0.00 C ATOM 1124 CG GLU A 76 3.215 -18.691 -11.694 1.00 0.00 C ATOM 1125 CD GLU A 76 4.086 -19.936 -11.873 1.00 0.00 C ATOM 1126 OE1 GLU A 76 5.160 -19.974 -11.234 1.00 0.00 O ATOM 1127 OE2 GLU A 76 3.659 -20.821 -12.645 1.00 0.00 O ATOM 0 H GLU A 76 1.817 -16.166 -13.059 1.00 0.00 H new ATOM 0 HA GLU A 76 3.328 -16.385 -10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.497 -17.468 -13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.913 -17.578 -12.421 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.104 -18.471 -10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.216 -18.882 -12.086 1.00 0.00 H new ATOM 1134 N ASP A 77 4.599 -14.229 -10.919 1.00 0.00 N ATOM 1135 CA ASP A 77 5.580 -13.158 -10.961 1.00 0.00 C ATOM 1136 C ASP A 77 5.346 -12.212 -9.781 1.00 0.00 C ATOM 1137 O ASP A 77 6.296 -11.685 -9.206 1.00 0.00 O ATOM 1138 CB ASP A 77 5.454 -12.345 -12.251 1.00 0.00 C ATOM 1139 CG ASP A 77 6.781 -12.012 -12.937 1.00 0.00 C ATOM 1140 OD1 ASP A 77 7.826 -12.387 -12.363 1.00 0.00 O ATOM 1141 OD2 ASP A 77 6.719 -11.390 -14.019 1.00 0.00 O ATOM 0 H ASP A 77 4.009 -14.235 -10.087 1.00 0.00 H new ATOM 0 HA ASP A 77 6.572 -13.607 -10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.829 -12.898 -12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.934 -11.414 -12.027 1.00 0.00 H new ATOM 1146 N VAL A 78 4.075 -12.027 -9.456 1.00 0.00 N ATOM 1147 CA VAL A 78 3.704 -11.154 -8.355 1.00 0.00 C ATOM 1148 C VAL A 78 4.410 -11.619 -7.080 1.00 0.00 C ATOM 1149 O VAL A 78 4.306 -12.784 -6.698 1.00 0.00 O ATOM 1150 CB VAL A 78 2.181 -11.109 -8.213 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.770 -10.343 -6.954 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.531 -10.506 -9.459 1.00 0.00 C ATOM 0 H VAL A 78 3.289 -12.467 -9.936 1.00 0.00 H new ATOM 0 HA VAL A 78 4.029 -10.132 -8.552 1.00 0.00 H new ATOM 0 HB VAL A 78 1.824 -12.134 -8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.683 -10.326 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.188 -10.835 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.146 -9.321 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.449 -10.486 -9.331 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.898 -9.490 -9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.782 -11.112 -10.330 1.00 0.00 H new ATOM 1162 N THR A 79 5.113 -10.685 -6.457 1.00 0.00 N ATOM 1163 CA THR A 79 5.837 -10.985 -5.233 1.00 0.00 C ATOM 1164 C THR A 79 5.030 -10.535 -4.013 1.00 0.00 C ATOM 1165 O THR A 79 5.294 -10.973 -2.894 1.00 0.00 O ATOM 1166 CB THR A 79 7.216 -10.328 -5.326 1.00 0.00 C ATOM 1167 OG1 THR A 79 6.930 -8.954 -5.571 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.994 -10.774 -6.565 1.00 0.00 C ATOM 0 H THR A 79 5.197 -9.720 -6.777 1.00 0.00 H new ATOM 0 HA THR A 79 5.981 -12.059 -5.111 1.00 0.00 H new ATOM 0 HB THR A 79 7.792 -10.564 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.360 -8.606 -4.854 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.965 -10.279 -6.583 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.138 -11.854 -6.535 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.434 -10.508 -7.462 1.00 0.00 H new ATOM 1176 N HIS A 80 4.063 -9.667 -4.270 1.00 0.00 N ATOM 1177 CA HIS A 80 3.217 -9.153 -3.207 1.00 0.00 C ATOM 1178 C HIS A 80 1.949 -8.545 -3.810 1.00 0.00 C ATOM 1179 O HIS A 80 1.993 -7.943 -4.882 1.00 0.00 O ATOM 1180 CB HIS A 80 3.987 -8.166 -2.328 1.00 0.00 C ATOM 1181 CG HIS A 80 5.465 -8.461 -2.224 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.336 -8.311 -3.289 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.215 -8.897 -1.171 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.553 -8.645 -2.884 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.475 -9.008 -1.572 1.00 0.00 N ATOM 0 H HIS A 80 3.847 -9.307 -5.199 1.00 0.00 H new ATOM 0 HA HIS A 80 2.912 -9.970 -2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.855 -7.160 -2.727 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.554 -8.172 -1.328 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.846 -9.115 -0.180 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.449 -8.632 -3.487 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.257 -9.315 -0.994 1.00 0.00 H new ATOM 1193 N VAL A 81 0.848 -8.722 -3.094 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.430 -8.199 -3.544 1.00 0.00 C ATOM 1195 C VAL A 81 -0.993 -7.255 -2.480 1.00 0.00 C ATOM 1196 O VAL A 81 -1.505 -7.703 -1.455 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.378 -9.351 -3.883 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.672 -8.830 -4.511 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.697 -10.371 -4.797 1.00 0.00 C ATOM 0 H VAL A 81 0.815 -9.221 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.304 -7.620 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.637 -9.856 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.328 -9.669 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.172 -8.161 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.439 -8.288 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.393 -11.179 -5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.394 -9.884 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.182 -10.778 -4.297 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.880 -5.964 -2.759 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.371 -4.953 -1.839 1.00 0.00 C ATOM 1211 C ILE A 82 -2.899 -4.910 -1.904 1.00 0.00 C ATOM 1212 O ILE A 82 -3.469 -4.306 -2.812 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.705 -3.605 -2.119 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.812 -3.757 -2.240 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -1.095 -2.571 -1.061 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.506 -3.403 -0.923 1.00 0.00 C ATOM 0 H ILE A 82 -0.455 -5.596 -3.610 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.102 -5.208 -0.814 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.069 -3.237 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.057 -4.781 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.183 -3.111 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.608 -1.621 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.176 -2.434 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.779 -2.919 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.584 -3.520 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.279 -2.370 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.151 -4.066 -0.135 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.520 -5.558 -0.929 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.971 -5.601 -0.864 1.00 0.00 C ATOM 1230 C VAL A 83 -5.471 -4.468 0.033 1.00 0.00 C ATOM 1231 O VAL A 83 -4.928 -4.241 1.114 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.433 -6.983 -0.396 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.951 -7.019 -0.210 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.974 -8.073 -1.367 1.00 0.00 C ATOM 0 H VAL A 83 -3.045 -6.058 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.402 -5.446 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.972 -7.181 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.253 -8.012 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.244 -6.281 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.439 -6.790 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.316 -9.045 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.393 -7.881 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.886 -8.071 -1.428 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.500 -3.785 -0.447 1.00 0.00 N ATOM 1245 CA GLY A 84 -7.079 -2.681 0.298 1.00 0.00 C ATOM 1246 C GLY A 84 -8.242 -3.158 1.171 1.00 0.00 C ATOM 1247 O GLY A 84 -8.238 -2.951 2.384 1.00 0.00 O ATOM 0 H GLY A 84 -6.948 -3.975 -1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.315 -2.220 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.429 -1.915 -0.394 1.00 0.00 H new ATOM 1251 N ASP A 85 -9.208 -3.789 0.521 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.374 -4.298 1.222 1.00 0.00 C ATOM 1253 C ASP A 85 -10.423 -5.821 1.085 1.00 0.00 C ATOM 1254 O ASP A 85 -10.616 -6.531 2.070 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.665 -3.728 0.631 1.00 0.00 C ATOM 1256 CG ASP A 85 -12.274 -2.562 1.411 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -11.678 -2.201 2.449 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -13.322 -2.058 0.953 1.00 0.00 O ATOM 0 H ASP A 85 -9.207 -3.960 -0.485 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.294 -4.001 2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.465 -3.398 -0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.402 -4.528 0.569 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.245 -6.278 -0.146 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.266 -7.703 -0.426 1.00 0.00 C ATOM 1265 C TYR A 86 -9.647 -8.004 -1.793 1.00 0.00 C ATOM 1266 O TYR A 86 -9.228 -7.090 -2.502 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.742 -8.107 -0.448 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.615 -7.223 -1.341 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.558 -7.358 -2.713 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.460 -6.290 -0.774 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -13.380 -6.525 -3.553 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -14.282 -5.458 -1.614 1.00 0.00 C ATOM 1273 CZ TYR A 86 -14.201 -5.617 -2.962 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.978 -4.831 -3.755 1.00 0.00 O ATOM 0 H TYR A 86 -10.086 -5.686 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.694 -8.249 0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.821 -9.140 -0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.132 -8.076 0.569 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.897 -8.088 -3.157 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.505 -6.184 0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.345 -6.620 -4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.948 -4.725 -1.183 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.514 -4.231 -3.196 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.609 -9.287 -2.120 1.00 0.00 N ATOM 1285 CA ASP A 87 -9.048 -9.719 -3.389 1.00 0.00 C ATOM 1286 C ASP A 87 -9.737 -11.011 -3.833 1.00 0.00 C ATOM 1287 O ASP A 87 -9.619 -12.040 -3.171 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.550 -10.002 -3.261 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.775 -9.993 -4.580 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.218 -10.710 -5.503 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -5.758 -9.269 -4.636 1.00 0.00 O ATOM 0 H ASP A 87 -9.957 -10.041 -1.529 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.204 -8.921 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.111 -9.260 -2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.419 -10.974 -2.786 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.441 -10.914 -4.951 1.00 0.00 N ATOM 1297 CA ASP A 88 -11.149 -12.062 -5.491 1.00 0.00 C ATOM 1298 C ASP A 88 -10.231 -12.814 -6.457 1.00 0.00 C ATOM 1299 O ASP A 88 -10.201 -14.043 -6.460 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.395 -11.627 -6.266 1.00 0.00 C ATOM 1301 CG ASP A 88 -13.633 -11.367 -5.405 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -13.508 -10.561 -4.459 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -14.677 -11.981 -5.714 1.00 0.00 O ATOM 0 H ASP A 88 -10.536 -10.058 -5.498 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.447 -12.697 -4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.160 -10.719 -6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.636 -12.397 -6.999 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.504 -12.043 -7.253 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.588 -12.621 -8.221 1.00 0.00 C ATOM 1310 C GLU A 89 -7.647 -13.614 -7.535 1.00 0.00 C ATOM 1311 O GLU A 89 -7.571 -14.776 -7.929 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.798 -11.530 -8.948 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.936 -11.672 -10.465 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.817 -10.312 -11.156 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -6.669 -9.940 -11.482 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -8.876 -9.675 -11.342 1.00 0.00 O ATOM 0 H GLU A 89 -9.531 -11.023 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.172 -13.160 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.156 -10.548 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.746 -11.589 -8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.166 -12.344 -10.842 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.899 -12.123 -10.706 1.00 0.00 H new ATOM 1323 N LEU A 90 -6.955 -13.119 -6.520 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.023 -13.948 -5.775 1.00 0.00 C ATOM 1325 C LEU A 90 -6.634 -15.335 -5.566 1.00 0.00 C ATOM 1326 O LEU A 90 -6.100 -16.332 -6.050 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.611 -13.255 -4.474 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.109 -13.049 -4.270 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.831 -11.743 -3.523 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.480 -14.255 -3.570 1.00 0.00 C ATOM 0 H LEU A 90 -7.021 -12.154 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.102 -14.087 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.100 -12.282 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.994 -13.839 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.640 -12.965 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.756 -11.621 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.224 -10.904 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.315 -11.772 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.412 -14.082 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.949 -14.396 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.631 -15.148 -4.177 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.746 -15.354 -4.845 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.436 -16.602 -4.567 1.00 0.00 C ATOM 1344 C LYS A 91 -8.376 -17.500 -5.804 1.00 0.00 C ATOM 1345 O LYS A 91 -8.141 -18.702 -5.692 1.00 0.00 O ATOM 1346 CB LYS A 91 -9.858 -16.329 -4.074 1.00 0.00 C ATOM 1347 CG LYS A 91 -9.845 -15.725 -2.668 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.216 -15.154 -2.303 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.198 -14.532 -0.905 1.00 0.00 C ATOM 1350 NZ LYS A 91 -11.646 -15.516 0.105 1.00 0.00 N ATOM 0 H LYS A 91 -8.186 -14.525 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.940 -17.139 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.361 -15.648 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.430 -17.257 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.560 -16.488 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.093 -14.938 -2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.507 -14.401 -3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.965 -15.945 -2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.191 -14.189 -0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.847 -13.657 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.628 -15.078 1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.615 -15.823 -0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.011 -16.339 0.093 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.591 -16.881 -6.956 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.564 -17.610 -8.213 1.00 0.00 C ATOM 1366 C GLN A 92 -7.131 -18.018 -8.559 1.00 0.00 C ATOM 1367 O GLN A 92 -6.878 -19.168 -8.914 1.00 0.00 O ATOM 1368 CB GLN A 92 -9.186 -16.782 -9.340 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.495 -16.134 -8.885 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.689 -16.717 -9.644 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -11.957 -16.378 -10.785 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.387 -17.610 -8.950 1.00 0.00 N ATOM 0 H GLN A 92 -8.785 -15.884 -7.045 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.161 -18.515 -8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.485 -16.010 -9.659 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.373 -17.419 -10.204 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.629 -16.290 -7.815 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.447 -15.057 -9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.107 -17.848 -7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.202 -18.057 -9.369 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.231 -17.053 -8.445 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.829 -17.297 -8.741 1.00 0.00 C ATOM 1383 C PHE A 93 -4.258 -18.386 -7.831 1.00 0.00 C ATOM 1384 O PHE A 93 -3.235 -18.992 -8.148 1.00 0.00 O ATOM 1385 CB PHE A 93 -4.082 -15.988 -8.481 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.564 -16.095 -8.643 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -2.028 -16.364 -9.863 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.752 -15.921 -7.566 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.619 -16.464 -10.013 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.343 -16.021 -7.716 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.193 -16.290 -8.936 1.00 0.00 C ATOM 0 H PHE A 93 -6.445 -16.100 -8.152 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.719 -17.629 -9.773 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.457 -15.226 -9.164 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.306 -15.648 -7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.673 -16.502 -10.718 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.178 -15.707 -6.597 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.193 -16.678 -10.982 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.302 -15.883 -6.861 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.264 -16.366 -9.050 1.00 0.00 H new ATOM 1401 N TRP A 94 -4.944 -18.603 -6.718 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.518 -19.608 -5.760 1.00 0.00 C ATOM 1403 C TRP A 94 -4.945 -20.978 -6.290 1.00 0.00 C ATOM 1404 O TRP A 94 -4.462 -22.008 -5.822 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.072 -19.307 -4.366 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.182 -18.388 -3.527 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -2.858 -18.206 -3.628 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.607 -17.528 -2.449 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.401 -17.295 -2.697 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.498 -16.870 -1.958 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -5.886 -17.314 -1.907 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.557 -15.954 -0.901 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -5.928 -16.395 -0.852 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.821 -15.724 -0.345 1.00 0.00 C ATOM 0 H TRP A 94 -5.792 -18.099 -6.459 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.434 -19.600 -5.650 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.056 -18.848 -4.469 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.212 -20.247 -3.832 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.228 -18.709 -4.347 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.435 -16.990 -2.574 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.767 -17.819 -2.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.674 -15.451 -0.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.888 -16.193 -0.400 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.936 -15.029 0.474 1.00 0.00 H new ATOM 1425 N ASN A 95 -5.848 -20.946 -7.260 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.346 -22.173 -7.859 1.00 0.00 C ATOM 1427 C ASN A 95 -5.953 -22.210 -9.337 1.00 0.00 C ATOM 1428 O ASN A 95 -6.448 -23.043 -10.094 1.00 0.00 O ATOM 1429 CB ASN A 95 -7.872 -22.248 -7.773 1.00 0.00 C ATOM 1430 CG ASN A 95 -8.313 -23.357 -6.816 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -7.598 -24.311 -6.559 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -9.528 -23.178 -6.305 1.00 0.00 N ATOM 0 H ASN A 95 -6.247 -20.090 -7.646 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.913 -23.013 -7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.268 -21.291 -7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.287 -22.431 -8.764 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.914 -23.863 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.074 -22.356 -6.563 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.067 -21.296 -9.704 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.602 -21.213 -11.078 1.00 0.00 C ATOM 1441 C LYS A 96 -3.149 -21.688 -11.150 1.00 0.00 C ATOM 1442 O LYS A 96 -2.877 -22.799 -11.601 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.816 -19.804 -11.633 1.00 0.00 C ATOM 1444 CG LYS A 96 -6.304 -19.449 -11.668 1.00 0.00 C ATOM 1445 CD LYS A 96 -6.743 -19.062 -13.082 1.00 0.00 C ATOM 1446 CE LYS A 96 -7.357 -20.258 -13.811 1.00 0.00 C ATOM 1447 NZ LYS A 96 -7.512 -19.962 -15.253 1.00 0.00 N ATOM 0 H LYS A 96 -4.659 -20.606 -9.073 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.186 -21.874 -11.718 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.280 -19.081 -11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.399 -19.738 -12.638 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.892 -20.298 -11.321 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.501 -18.624 -10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.469 -18.250 -13.032 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.886 -18.690 -13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.724 -21.136 -13.680 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.328 -20.497 -13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.930 -20.784 -15.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.134 -19.137 -15.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.581 -19.756 -15.667 1.00 0.00 H new ATOM 1461 N SER A 97 -2.254 -20.821 -10.698 1.00 0.00 N ATOM 1462 CA SER A 97 -0.836 -21.138 -10.706 1.00 0.00 C ATOM 1463 C SER A 97 -0.366 -21.467 -9.287 1.00 0.00 C ATOM 1464 O SER A 97 -0.998 -21.066 -8.312 1.00 0.00 O ATOM 1465 CB SER A 97 -0.016 -19.982 -11.282 1.00 0.00 C ATOM 1466 OG SER A 97 -0.228 -19.823 -12.682 1.00 0.00 O ATOM 0 H SER A 97 -2.483 -19.900 -10.324 1.00 0.00 H new ATOM 0 HA SER A 97 -0.684 -22.009 -11.344 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.281 -19.058 -10.768 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.043 -20.159 -11.093 1.00 0.00 H new ATOM 0 HG SER A 97 0.181 -18.984 -12.982 1.00 0.00 H new ATOM 1472 N ALA A 98 0.740 -22.194 -9.219 1.00 0.00 N ATOM 1473 CA ALA A 98 1.302 -22.581 -7.936 1.00 0.00 C ATOM 1474 C ALA A 98 2.267 -21.494 -7.458 1.00 0.00 C ATOM 1475 O ALA A 98 3.428 -21.468 -7.864 1.00 0.00 O ATOM 1476 CB ALA A 98 1.980 -23.946 -8.067 1.00 0.00 C ATOM 0 H ALA A 98 1.261 -22.525 -10.031 1.00 0.00 H new ATOM 0 HA ALA A 98 0.517 -22.677 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.402 -24.237 -7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.246 -24.688 -8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.776 -23.887 -8.809 1.00 0.00 H new ATOM 1482 N HIS A 99 1.752 -20.625 -6.601 1.00 0.00 N ATOM 1483 CA HIS A 99 2.554 -19.539 -6.064 1.00 0.00 C ATOM 1484 C HIS A 99 1.769 -18.815 -4.968 1.00 0.00 C ATOM 1485 O HIS A 99 0.539 -18.781 -5.000 1.00 0.00 O ATOM 1486 CB HIS A 99 3.017 -18.601 -7.180 1.00 0.00 C ATOM 1487 CG HIS A 99 3.621 -17.309 -6.686 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.828 -17.255 -6.010 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.173 -16.023 -6.776 1.00 0.00 C ATOM 1490 CE1 HIS A 99 5.085 -15.990 -5.711 1.00 0.00 C ATOM 1491 NE2 HIS A 99 4.058 -15.229 -6.186 1.00 0.00 N ATOM 0 H HIS A 99 0.789 -20.651 -6.265 1.00 0.00 H new ATOM 0 HA HIS A 99 3.459 -19.941 -5.609 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.751 -19.121 -7.796 1.00 0.00 H new ATOM 0 HB3 HIS A 99 2.167 -18.370 -7.823 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.255 -15.705 -7.247 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.955 -15.626 -5.184 1.00 0.00 H new ATOM 0 HE2 HIS A 99 3.982 -14.215 -6.102 1.00 0.00 H new ATOM 1499 N ARG A 100 2.511 -18.253 -4.026 1.00 0.00 N ATOM 1500 CA ARG A 100 1.900 -17.531 -2.923 1.00 0.00 C ATOM 1501 C ARG A 100 2.481 -16.119 -2.825 1.00 0.00 C ATOM 1502 O ARG A 100 3.536 -15.919 -2.226 1.00 0.00 O ATOM 1503 CB ARG A 100 2.123 -18.260 -1.596 1.00 0.00 C ATOM 1504 CG ARG A 100 1.427 -17.531 -0.446 1.00 0.00 C ATOM 1505 CD ARG A 100 -0.057 -17.899 -0.381 1.00 0.00 C ATOM 1506 NE ARG A 100 -0.380 -18.470 0.945 1.00 0.00 N ATOM 1507 CZ ARG A 100 -0.230 -19.763 1.263 1.00 0.00 C ATOM 1508 NH1 ARG A 100 0.239 -20.627 0.352 1.00 0.00 N ATOM 1509 NH2 ARG A 100 -0.548 -20.192 2.492 1.00 0.00 N ATOM 0 H ARG A 100 3.530 -18.283 -4.004 1.00 0.00 H new ATOM 0 HA ARG A 100 0.829 -17.474 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.743 -19.279 -1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.191 -18.332 -1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.910 -17.787 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.533 -16.454 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.668 -17.015 -0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.296 -18.619 -1.164 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.739 -17.840 1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.482 -20.300 -0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.353 -21.611 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.904 -19.534 3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.434 -21.176 2.734 1.00 0.00 H new ATOM 1523 N PRO A 101 1.747 -15.152 -3.438 1.00 0.00 N ATOM 1524 CA PRO A 101 2.179 -13.765 -3.426 1.00 0.00 C ATOM 1525 C PRO A 101 1.938 -13.127 -2.056 1.00 0.00 C ATOM 1526 O PRO A 101 0.920 -13.389 -1.416 1.00 0.00 O ATOM 1527 CB PRO A 101 1.388 -13.097 -4.539 1.00 0.00 C ATOM 1528 CG PRO A 101 0.212 -14.017 -4.824 1.00 0.00 C ATOM 1529 CD PRO A 101 0.492 -15.353 -4.157 1.00 0.00 C ATOM 0 HA PRO A 101 3.250 -13.657 -3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.045 -12.108 -4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.003 -12.962 -5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.712 -13.585 -4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.081 -14.147 -5.898 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.313 -15.633 -3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.581 -16.152 -4.893 1.00 0.00 H new ATOM 1537 N HIS A 102 2.891 -12.303 -1.647 1.00 0.00 N ATOM 1538 CA HIS A 102 2.795 -11.627 -0.364 1.00 0.00 C ATOM 1539 C HIS A 102 1.577 -10.702 -0.362 1.00 0.00 C ATOM 1540 O HIS A 102 1.625 -9.604 -0.914 1.00 0.00 O ATOM 1541 CB HIS A 102 4.097 -10.892 -0.039 1.00 0.00 C ATOM 1542 CG HIS A 102 5.287 -11.804 0.144 1.00 0.00 C ATOM 1543 ND1 HIS A 102 6.488 -11.844 -0.502 1.00 0.00 N flip ATOM 1544 CD2 HIS A 102 5.317 -12.819 1.085 1.00 0.00 C flip ATOM 1545 CE1 HIS A 102 7.211 -12.828 0.016 1.00 0.00 C flip ATOM 1546 NE2 HIS A 102 6.487 -13.434 1.000 1.00 0.00 N flip ATOM 0 H HIS A 102 3.733 -12.088 -2.181 1.00 0.00 H new ATOM 0 HA HIS A 102 2.652 -12.362 0.429 1.00 0.00 H new ATOM 0 HB2 HIS A 102 4.313 -10.185 -0.840 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.956 -10.309 0.871 1.00 0.00 H new ATOM 0 HD2 HIS A 102 4.521 -13.067 1.772 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.209 -13.104 -0.291 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.793 -14.222 1.570 1.00 0.00 H new ATOM 1554 N VAL A 103 0.512 -11.180 0.265 1.00 0.00 N ATOM 1555 CA VAL A 103 -0.717 -10.410 0.347 1.00 0.00 C ATOM 1556 C VAL A 103 -0.674 -9.519 1.590 1.00 0.00 C ATOM 1557 O VAL A 103 -0.678 -10.016 2.715 1.00 0.00 O ATOM 1558 CB VAL A 103 -1.925 -11.348 0.326 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -2.303 -11.788 1.742 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -3.115 -10.695 -0.381 1.00 0.00 C ATOM 0 H VAL A 103 0.475 -12.092 0.721 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.815 -9.755 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.647 -12.238 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.165 -12.454 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.462 -12.312 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.552 -10.912 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.960 -11.383 -0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.392 -9.780 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.841 -10.456 -1.409 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.634 -8.217 1.344 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.590 -7.252 2.430 1.00 0.00 C ATOM 1572 C VAL A 104 -1.412 -6.020 2.044 1.00 0.00 C ATOM 1573 O VAL A 104 -1.971 -5.960 0.950 1.00 0.00 O ATOM 1574 CB VAL A 104 0.862 -6.918 2.775 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.597 -8.151 3.307 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.590 -6.325 1.567 1.00 0.00 C ATOM 0 H VAL A 104 -0.631 -7.808 0.409 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.036 -7.671 3.332 1.00 0.00 H new ATOM 0 HB VAL A 104 0.854 -6.166 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.627 -7.886 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.098 -8.512 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.589 -8.934 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.620 -6.096 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.582 -7.044 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.087 -5.411 1.252 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.458 -5.068 2.965 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.202 -3.841 2.735 1.00 0.00 C ATOM 1588 C GLY A 105 -1.256 -2.671 2.457 1.00 0.00 C ATOM 1589 O GLY A 105 -0.152 -2.619 2.996 1.00 0.00 O ATOM 0 H GLY A 105 -0.993 -5.122 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.879 -3.975 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.818 -3.616 3.606 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.724 -1.760 1.616 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.934 -0.594 1.261 1.00 0.00 C ATOM 1595 C ALA A 106 -0.237 -0.054 2.511 1.00 0.00 C ATOM 1596 O ALA A 106 0.884 0.447 2.434 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.835 0.451 0.599 1.00 0.00 C ATOM 0 H ALA A 106 -2.640 -1.806 1.170 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.160 -0.861 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.242 1.326 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.282 0.028 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.623 0.744 1.293 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.929 -0.176 3.635 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.391 0.293 4.900 1.00 0.00 C ATOM 1605 C LYS A 107 1.080 -0.115 5.006 1.00 0.00 C ATOM 1606 O LYS A 107 1.930 0.699 5.365 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.251 -0.201 6.065 1.00 0.00 C ATOM 1608 CG LYS A 107 -1.318 0.845 7.179 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.516 0.592 8.097 1.00 0.00 C ATOM 1610 CE LYS A 107 -2.158 0.877 9.557 1.00 0.00 C ATOM 1611 NZ LYS A 107 -3.260 0.462 10.452 1.00 0.00 N ATOM 0 H LYS A 107 -1.858 -0.593 3.695 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.425 1.381 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.257 -0.424 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.838 -1.130 6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.397 0.820 7.762 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.393 1.841 6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.351 1.224 7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.845 -0.442 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.245 0.345 9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.957 1.940 9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.000 0.663 11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.123 0.988 10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.433 -0.557 10.340 1.00 0.00 H new ATOM 1625 N TRP A 108 1.336 -1.375 4.687 1.00 0.00 N ATOM 1626 CA TRP A 108 2.690 -1.901 4.741 1.00 0.00 C ATOM 1627 C TRP A 108 3.585 -0.990 3.900 1.00 0.00 C ATOM 1628 O TRP A 108 4.473 -0.323 4.430 1.00 0.00 O ATOM 1629 CB TRP A 108 2.729 -3.362 4.289 1.00 0.00 C ATOM 1630 CG TRP A 108 4.131 -3.869 3.943 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.109 -4.228 4.785 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.674 -4.059 2.619 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.239 -4.634 4.103 1.00 0.00 N ATOM 1634 CE2 TRP A 108 5.965 -4.528 2.745 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.092 -3.841 1.357 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.785 -4.820 1.648 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 4.925 -4.138 0.271 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.227 -4.611 0.381 1.00 0.00 C ATOM 0 H TRP A 108 0.629 -2.047 4.390 1.00 0.00 H new ATOM 0 HA TRP A 108 3.062 -1.904 5.765 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.312 -3.987 5.079 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.086 -3.479 3.417 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.024 -4.203 5.861 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.114 -4.953 4.519 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.084 -3.474 1.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.793 -5.187 1.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.527 -3.989 -0.722 1.00 0.00 H new ATOM 0 HH2 TRP A 108 6.806 -4.817 -0.507 1.00 0.00 H new ATOM 1649 N LEU A 109 3.321 -0.990 2.601 1.00 0.00 N ATOM 1650 CA LEU A 109 4.092 -0.172 1.681 1.00 0.00 C ATOM 1651 C LEU A 109 4.368 1.189 2.323 1.00 0.00 C ATOM 1652 O LEU A 109 5.520 1.606 2.432 1.00 0.00 O ATOM 1653 CB LEU A 109 3.388 -0.080 0.326 1.00 0.00 C ATOM 1654 CG LEU A 109 4.238 0.430 -0.839 1.00 0.00 C ATOM 1655 CD1 LEU A 109 5.295 -0.601 -1.239 1.00 0.00 C ATOM 1656 CD2 LEU A 109 3.358 0.837 -2.023 1.00 0.00 C ATOM 0 H LEU A 109 2.584 -1.544 2.164 1.00 0.00 H new ATOM 0 HA LEU A 109 5.059 -0.633 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.010 -1.069 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.523 0.575 0.432 1.00 0.00 H new ATOM 0 HG LEU A 109 4.768 1.324 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.885 -0.213 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.949 -0.800 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.805 -1.526 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.987 1.196 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.782 -0.024 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.677 1.630 -1.714 1.00 0.00 H new ATOM 1668 N LEU A 110 3.292 1.843 2.733 1.00 0.00 N ATOM 1669 CA LEU A 110 3.403 3.148 3.363 1.00 0.00 C ATOM 1670 C LEU A 110 4.517 3.111 4.411 1.00 0.00 C ATOM 1671 O LEU A 110 5.415 3.952 4.398 1.00 0.00 O ATOM 1672 CB LEU A 110 2.049 3.592 3.920 1.00 0.00 C ATOM 1673 CG LEU A 110 0.892 3.630 2.919 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.416 4.024 3.608 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.218 4.548 1.739 1.00 0.00 C ATOM 0 H LEU A 110 2.338 1.494 2.641 1.00 0.00 H new ATOM 0 HA LEU A 110 3.682 3.903 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.776 2.922 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.164 4.587 4.350 1.00 0.00 H new ATOM 0 HG LEU A 110 0.754 2.626 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.222 4.044 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.651 3.297 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.308 5.012 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.380 4.557 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.398 5.559 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.109 4.182 1.229 1.00 0.00 H new ATOM 1687 N GLU A 111 4.423 2.127 5.293 1.00 0.00 N ATOM 1688 CA GLU A 111 5.411 1.969 6.346 1.00 0.00 C ATOM 1689 C GLU A 111 6.792 1.702 5.743 1.00 0.00 C ATOM 1690 O GLU A 111 7.806 2.134 6.289 1.00 0.00 O ATOM 1691 CB GLU A 111 5.010 0.851 7.312 1.00 0.00 C ATOM 1692 CG GLU A 111 3.566 1.029 7.786 1.00 0.00 C ATOM 1693 CD GLU A 111 3.521 1.605 9.203 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.397 1.211 10.003 1.00 0.00 O ATOM 1695 OE2 GLU A 111 2.612 2.425 9.453 1.00 0.00 O ATOM 0 H GLU A 111 3.677 1.431 5.300 1.00 0.00 H new ATOM 0 HA GLU A 111 5.457 2.897 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.119 -0.116 6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.681 0.849 8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.034 1.692 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.051 0.069 7.763 1.00 0.00 H new ATOM 1702 N CYS A 112 6.786 0.993 4.624 1.00 0.00 N ATOM 1703 CA CYS A 112 8.026 0.664 3.941 1.00 0.00 C ATOM 1704 C CYS A 112 8.730 1.970 3.568 1.00 0.00 C ATOM 1705 O CYS A 112 9.871 2.200 3.966 1.00 0.00 O ATOM 1706 CB CYS A 112 7.779 -0.221 2.717 1.00 0.00 C ATOM 1707 SG CYS A 112 6.815 -1.700 3.198 1.00 0.00 S ATOM 0 H CYS A 112 5.943 0.637 4.173 1.00 0.00 H new ATOM 0 HA CYS A 112 8.667 0.084 4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.241 0.342 1.954 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.730 -0.523 2.279 1.00 0.00 H new ATOM 0 HG CYS A 112 7.135 -2.696 2.426 1.00 0.00 H new ATOM 1713 N PHE A 113 8.020 2.792 2.808 1.00 0.00 N ATOM 1714 CA PHE A 113 8.563 4.069 2.377 1.00 0.00 C ATOM 1715 C PHE A 113 8.715 5.027 3.560 1.00 0.00 C ATOM 1716 O PHE A 113 9.655 5.819 3.606 1.00 0.00 O ATOM 1717 CB PHE A 113 7.568 4.663 1.379 1.00 0.00 C ATOM 1718 CG PHE A 113 7.641 4.042 -0.017 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.607 4.439 -0.889 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.740 3.093 -0.387 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.675 3.862 -2.185 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.808 2.516 -1.683 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.773 2.913 -2.554 1.00 0.00 C ATOM 0 H PHE A 113 7.074 2.598 2.480 1.00 0.00 H new ATOM 0 HA PHE A 113 9.548 3.924 1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.558 4.536 1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.746 5.735 1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.322 5.193 -0.596 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.973 2.778 0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.442 4.176 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 113 6.093 1.762 -1.976 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.824 2.475 -3.540 1.00 0.00 H new ATOM 1733 N SER A 114 7.775 4.924 4.488 1.00 0.00 N ATOM 1734 CA SER A 114 7.792 5.772 5.668 1.00 0.00 C ATOM 1735 C SER A 114 9.086 5.549 6.455 1.00 0.00 C ATOM 1736 O SER A 114 9.735 6.506 6.873 1.00 0.00 O ATOM 1737 CB SER A 114 6.577 5.503 6.558 1.00 0.00 C ATOM 1738 OG SER A 114 6.502 6.416 7.650 1.00 0.00 O ATOM 0 H SER A 114 6.997 4.266 4.447 1.00 0.00 H new ATOM 0 HA SER A 114 7.747 6.811 5.342 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.668 5.576 5.962 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.627 4.484 6.941 1.00 0.00 H new ATOM 0 HG SER A 114 5.712 6.212 8.193 1.00 0.00 H new ATOM 1744 N LYS A 115 9.421 4.279 6.632 1.00 0.00 N ATOM 1745 CA LYS A 115 10.625 3.917 7.360 1.00 0.00 C ATOM 1746 C LYS A 115 11.838 4.076 6.442 1.00 0.00 C ATOM 1747 O LYS A 115 12.955 4.283 6.914 1.00 0.00 O ATOM 1748 CB LYS A 115 10.487 2.517 7.961 1.00 0.00 C ATOM 1749 CG LYS A 115 9.108 2.325 8.596 1.00 0.00 C ATOM 1750 CD LYS A 115 9.217 2.196 10.116 1.00 0.00 C ATOM 1751 CE LYS A 115 8.393 1.012 10.626 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.134 1.148 12.077 1.00 0.00 N ATOM 0 H LYS A 115 8.879 3.488 6.284 1.00 0.00 H new ATOM 0 HA LYS A 115 10.775 4.588 8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.641 1.768 7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.262 2.362 8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.467 3.170 8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.635 1.433 8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.261 2.066 10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.871 3.115 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.448 0.959 10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.924 0.081 10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.574 0.336 12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.038 1.176 12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.608 2.027 12.255 1.00 0.00 H new ATOM 1766 N GLY A 116 11.578 3.973 5.147 1.00 0.00 N ATOM 1767 CA GLY A 116 12.635 4.103 4.159 1.00 0.00 C ATOM 1768 C GLY A 116 13.085 2.731 3.655 1.00 0.00 C ATOM 1769 O GLY A 116 13.752 2.632 2.625 1.00 0.00 O ATOM 0 H GLY A 116 10.650 3.801 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.283 4.705 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.483 4.630 4.596 1.00 0.00 H new ATOM 1773 N TYR A 117 12.704 1.706 4.403 1.00 0.00 N ATOM 1774 CA TYR A 117 13.060 0.344 4.044 1.00 0.00 C ATOM 1775 C TYR A 117 11.842 -0.579 4.119 1.00 0.00 C ATOM 1776 O TYR A 117 10.859 -0.263 4.787 1.00 0.00 O ATOM 1777 CB TYR A 117 14.092 -0.108 5.080 1.00 0.00 C ATOM 1778 CG TYR A 117 13.726 0.251 6.521 1.00 0.00 C ATOM 1779 CD1 TYR A 117 12.856 -0.550 7.232 1.00 0.00 C ATOM 1780 CD2 TYR A 117 14.267 1.375 7.111 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.511 -0.213 8.589 1.00 0.00 C ATOM 1782 CE2 TYR A 117 13.922 1.713 8.467 1.00 0.00 C ATOM 1783 CZ TYR A 117 13.061 0.903 9.139 1.00 0.00 C ATOM 1784 OH TYR A 117 12.736 1.222 10.421 1.00 0.00 O ATOM 0 H TYR A 117 12.152 1.792 5.256 1.00 0.00 H new ATOM 0 HA TYR A 117 13.444 0.303 3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.217 -1.188 5.006 1.00 0.00 H new ATOM 0 HB3 TYR A 117 15.055 0.341 4.838 1.00 0.00 H new ATOM 0 HD1 TYR A 117 12.433 -1.430 6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 117 14.949 2.001 6.555 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.832 -0.832 9.157 1.00 0.00 H new ATOM 0 HE2 TYR A 117 14.338 2.590 8.940 1.00 0.00 H new ATOM 0 HH TYR A 117 13.203 2.043 10.682 1.00 0.00 H new ATOM 1794 N MET A 118 11.947 -1.702 3.425 1.00 0.00 N ATOM 1795 CA MET A 118 10.867 -2.674 3.404 1.00 0.00 C ATOM 1796 C MET A 118 10.742 -3.384 4.753 1.00 0.00 C ATOM 1797 O MET A 118 11.732 -3.876 5.293 1.00 0.00 O ATOM 1798 CB MET A 118 11.128 -3.706 2.305 1.00 0.00 C ATOM 1799 CG MET A 118 10.924 -3.093 0.918 1.00 0.00 C ATOM 1800 SD MET A 118 11.517 -4.215 -0.338 1.00 0.00 S ATOM 1801 CE MET A 118 10.212 -5.433 -0.306 1.00 0.00 C ATOM 0 H MET A 118 12.764 -1.961 2.872 1.00 0.00 H new ATOM 0 HA MET A 118 9.934 -2.147 3.204 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.146 -4.086 2.392 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.458 -4.556 2.433 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.867 -2.880 0.757 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.455 -2.143 0.849 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.308 -6.092 -1.169 1.00 0.00 H new ATOM 0 HE2 MET A 118 10.285 -6.021 0.609 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.245 -4.931 -0.338 1.00 0.00 H new ATOM 1811 N LEU A 119 9.518 -3.416 5.259 1.00 0.00 N ATOM 1812 CA LEU A 119 9.251 -4.058 6.535 1.00 0.00 C ATOM 1813 C LEU A 119 8.616 -5.428 6.288 1.00 0.00 C ATOM 1814 O LEU A 119 8.342 -5.793 5.146 1.00 0.00 O ATOM 1815 CB LEU A 119 8.413 -3.144 7.430 1.00 0.00 C ATOM 1816 CG LEU A 119 8.624 -1.640 7.238 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.515 -0.839 7.922 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.015 -1.216 7.715 1.00 0.00 C ATOM 0 H LEU A 119 8.699 -3.007 4.808 1.00 0.00 H new ATOM 0 HA LEU A 119 10.181 -4.230 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.360 -3.368 7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.627 -3.391 8.470 1.00 0.00 H new ATOM 0 HG LEU A 119 8.569 -1.421 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.689 0.226 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.551 -1.114 7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.514 -1.058 8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.139 -0.143 7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.124 -1.452 8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.774 -1.751 7.144 1.00 0.00 H new ATOM 1830 N SER A 120 8.399 -6.149 7.378 1.00 0.00 N ATOM 1831 CA SER A 120 7.801 -7.471 7.295 1.00 0.00 C ATOM 1832 C SER A 120 6.371 -7.365 6.761 1.00 0.00 C ATOM 1833 O SER A 120 5.659 -6.410 7.069 1.00 0.00 O ATOM 1834 CB SER A 120 7.809 -8.166 8.657 1.00 0.00 C ATOM 1835 OG SER A 120 9.114 -8.206 9.229 1.00 0.00 O ATOM 0 H SER A 120 8.627 -5.843 8.324 1.00 0.00 H new ATOM 0 HA SER A 120 8.395 -8.073 6.608 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.132 -7.644 9.334 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.430 -9.182 8.548 1.00 0.00 H new ATOM 0 HG SER A 120 9.076 -8.656 10.099 1.00 0.00 H new ATOM 1841 N GLU A 121 5.993 -8.359 5.971 1.00 0.00 N ATOM 1842 CA GLU A 121 4.660 -8.389 5.392 1.00 0.00 C ATOM 1843 C GLU A 121 3.726 -9.240 6.256 1.00 0.00 C ATOM 1844 O GLU A 121 2.506 -9.103 6.176 1.00 0.00 O ATOM 1845 CB GLU A 121 4.700 -8.907 3.953 1.00 0.00 C ATOM 1846 CG GLU A 121 5.182 -7.819 2.992 1.00 0.00 C ATOM 1847 CD GLU A 121 6.479 -8.236 2.297 1.00 0.00 C ATOM 1848 OE1 GLU A 121 6.684 -9.462 2.166 1.00 0.00 O ATOM 1849 OE2 GLU A 121 7.238 -7.319 1.914 1.00 0.00 O ATOM 0 H GLU A 121 6.586 -9.149 5.718 1.00 0.00 H new ATOM 0 HA GLU A 121 4.272 -7.371 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.362 -9.771 3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.707 -9.245 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.413 -7.621 2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.341 -6.890 3.539 1.00 0.00 H new ATOM 1856 N GLU A 122 4.334 -10.098 7.061 1.00 0.00 N ATOM 1857 CA GLU A 122 3.572 -10.971 7.938 1.00 0.00 C ATOM 1858 C GLU A 122 2.667 -10.143 8.853 1.00 0.00 C ATOM 1859 O GLU A 122 1.495 -10.470 9.033 1.00 0.00 O ATOM 1860 CB GLU A 122 4.499 -11.874 8.754 1.00 0.00 C ATOM 1861 CG GLU A 122 4.887 -13.122 7.959 1.00 0.00 C ATOM 1862 CD GLU A 122 5.434 -14.212 8.883 1.00 0.00 C ATOM 1863 OE1 GLU A 122 6.584 -14.042 9.343 1.00 0.00 O ATOM 1864 OE2 GLU A 122 4.690 -15.191 9.108 1.00 0.00 O ATOM 0 H GLU A 122 5.346 -10.208 7.125 1.00 0.00 H new ATOM 0 HA GLU A 122 2.943 -11.614 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.397 -11.322 9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.004 -12.167 9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.018 -13.499 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.637 -12.863 7.212 1.00 0.00 H new ATOM 1871 N PRO A 123 3.261 -9.060 9.422 1.00 0.00 N ATOM 1872 CA PRO A 123 2.522 -8.184 10.315 1.00 0.00 C ATOM 1873 C PRO A 123 1.560 -7.288 9.531 1.00 0.00 C ATOM 1874 O PRO A 123 0.883 -6.441 10.111 1.00 0.00 O ATOM 1875 CB PRO A 123 3.585 -7.400 11.066 1.00 0.00 C ATOM 1876 CG PRO A 123 4.857 -7.528 10.243 1.00 0.00 C ATOM 1877 CD PRO A 123 4.647 -8.643 9.232 1.00 0.00 C ATOM 0 HA PRO A 123 1.885 -8.731 11.010 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.295 -6.355 11.176 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.728 -7.799 12.070 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.079 -6.589 9.736 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.708 -7.752 10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.819 -8.292 8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.336 -9.469 9.405 1.00 0.00 H new ATOM 1885 N TYR A 124 1.531 -7.506 8.224 1.00 0.00 N ATOM 1886 CA TYR A 124 0.664 -6.729 7.355 1.00 0.00 C ATOM 1887 C TYR A 124 0.007 -7.619 6.298 1.00 0.00 C ATOM 1888 O TYR A 124 -0.141 -7.215 5.146 1.00 0.00 O ATOM 1889 CB TYR A 124 1.569 -5.712 6.657 1.00 0.00 C ATOM 1890 CG TYR A 124 2.051 -4.580 7.567 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.256 -3.470 7.767 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.280 -4.670 8.187 1.00 0.00 C ATOM 1893 CE1 TYR A 124 1.710 -2.405 8.623 1.00 0.00 C ATOM 1894 CE2 TYR A 124 3.734 -3.604 9.043 1.00 0.00 C ATOM 1895 CZ TYR A 124 2.926 -2.525 9.219 1.00 0.00 C ATOM 1896 OH TYR A 124 3.355 -1.519 10.028 1.00 0.00 O ATOM 0 H TYR A 124 2.094 -8.210 7.746 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.132 -6.255 7.930 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.436 -6.232 6.250 1.00 0.00 H new ATOM 0 HB3 TYR A 124 1.031 -5.281 5.813 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.294 -3.400 7.282 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.902 -5.539 8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.098 -1.530 8.788 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.694 -3.661 9.534 1.00 0.00 H new ATOM 0 HH TYR A 124 4.240 -1.742 10.386 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.370 -8.815 6.729 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.007 -9.766 5.834 1.00 0.00 C ATOM 1908 C ILE A 125 -2.494 -9.424 5.709 1.00 0.00 C ATOM 1909 O ILE A 125 -3.138 -9.072 6.696 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.743 -11.199 6.299 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.759 -11.476 6.393 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.456 -12.208 5.397 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.374 -11.644 5.003 1.00 0.00 C ATOM 0 H ILE A 125 -0.246 -9.146 7.686 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.578 -9.696 4.835 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.156 -11.315 7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.251 -10.656 6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.930 -12.377 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.252 -13.219 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.530 -12.024 5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.095 -12.101 4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.442 -11.840 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.896 -12.480 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 125 1.223 -10.732 4.426 1.00 0.00 H new ATOM 1925 N HIS A 126 -2.994 -9.540 4.488 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.392 -9.248 4.222 1.00 0.00 C ATOM 1927 C HIS A 126 -5.172 -10.557 4.078 1.00 0.00 C ATOM 1928 O HIS A 126 -5.044 -11.252 3.071 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.534 -8.337 3.001 1.00 0.00 C ATOM 1930 CG HIS A 126 -5.855 -7.609 2.928 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -6.014 -6.300 3.347 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -7.076 -8.021 2.479 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -7.277 -5.950 3.156 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -7.934 -7.018 2.618 1.00 0.00 N ATOM 0 H HIS A 126 -2.456 -9.832 3.672 1.00 0.00 H new ATOM 0 HA HIS A 126 -4.819 -8.701 5.063 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -3.727 -7.604 3.011 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.410 -8.935 2.098 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.305 -8.997 2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -7.711 -4.988 3.386 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -8.922 -7.042 2.364 1.00 0.00 H new ATOM 1942 N SER A 127 -5.961 -10.853 5.100 1.00 0.00 N ATOM 1943 CA SER A 127 -6.761 -12.066 5.100 1.00 0.00 C ATOM 1944 C SER A 127 -8.237 -11.720 4.893 1.00 0.00 C ATOM 1945 O SER A 127 -8.625 -10.556 4.989 1.00 0.00 O ATOM 1946 CB SER A 127 -6.577 -12.847 6.403 1.00 0.00 C ATOM 1947 OG SER A 127 -5.201 -13.033 6.723 1.00 0.00 O ATOM 0 H SER A 127 -6.064 -10.274 5.934 1.00 0.00 H new ATOM 0 HA SER A 127 -6.424 -12.698 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 127 -7.070 -12.316 7.217 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.064 -13.818 6.315 1.00 0.00 H new ATOM 0 HG SER A 127 -5.125 -13.534 7.562 1.00 0.00 H new