USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=21 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 63:sc= -0.0229! USER MOD Set 1.2: A 80 HIS : no HD1:sc= -3.83! C(o=-3.9!,f=-19!) USER MOD Set 1.3: A 102 HIS :FLIP no HD1:sc= 0 F(o=-6.6,f=-3.9) USER MOD Set 2.1: A 47 TYR OH : rot -23:sc= -4.12! USER MOD Set 2.2: A 49 CYS SG : rot 180:sc= -0.871 USER MOD Set 3.1: A 44 CYS SG : rot 63:sc= 1.13 USER MOD Set 3.2: A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 22 THR OG1 : rot 140:sc= -0.393 USER MOD Set 4.2: A 25 ASN : amide:sc= -0.113 X(o=-0.51,f=-1) USER MOD Single : A 28 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.56) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 1.2 (180deg=0.911) USER MOD Single : A 64 ASN : amide:sc= -0.0177 K(o=-0.018,f=-0.81) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.067) USER MOD Single : A 75 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.13) 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=-0.00704 X(o=-0.007,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0416) USER MOD Single : A 97 SER OG : rot -116:sc= -1.22! USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 52:sc= 0.398 USER MOD Single : A 114 SER OG : rot -160:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 166:sc= -0.315 (180deg=-0.459) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0321 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -8:sc= 0.781 USER MOD Single : A 126 HIS :FLIP no HD1:sc= -0.3 F(o=-0.99,f=-0.3) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 0.915 8.693 6.486 1.00 0.00 N ATOM 259 CA PRO A 21 0.947 7.674 5.451 1.00 0.00 C ATOM 260 C PRO A 21 0.151 6.438 5.874 1.00 0.00 C ATOM 261 O PRO A 21 0.714 5.355 6.026 1.00 0.00 O ATOM 262 CB PRO A 21 2.423 7.383 5.231 1.00 0.00 C ATOM 263 CG PRO A 21 3.139 7.905 6.467 1.00 0.00 C ATOM 264 CD PRO A 21 2.169 8.794 7.227 1.00 0.00 C ATOM 0 HA PRO A 21 0.476 8.001 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.595 6.315 5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.788 7.876 4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.470 7.077 7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.029 8.466 6.184 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.048 8.459 8.257 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.524 9.824 7.267 1.00 0.00 H new ATOM 272 N THR A 22 -1.146 6.641 6.051 1.00 0.00 N ATOM 273 CA THR A 22 -2.025 5.556 6.452 1.00 0.00 C ATOM 274 C THR A 22 -2.862 5.079 5.263 1.00 0.00 C ATOM 275 O THR A 22 -2.830 5.686 4.194 1.00 0.00 O ATOM 276 CB THR A 22 -2.869 6.044 7.632 1.00 0.00 C ATOM 277 OG1 THR A 22 -3.797 6.952 7.043 1.00 0.00 O ATOM 278 CG2 THR A 22 -2.068 6.909 8.607 1.00 0.00 C ATOM 0 H THR A 22 -1.609 7.541 5.924 1.00 0.00 H new ATOM 0 HA THR A 22 -1.455 4.686 6.778 1.00 0.00 H new ATOM 0 HB THR A 22 -3.281 5.186 8.163 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.678 6.832 7.455 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.714 7.229 9.425 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.235 6.331 9.007 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.684 7.785 8.085 1.00 0.00 H new ATOM 286 N LEU A 23 -3.590 3.996 5.490 1.00 0.00 N ATOM 287 CA LEU A 23 -4.433 3.430 4.450 1.00 0.00 C ATOM 288 C LEU A 23 -5.707 4.267 4.321 1.00 0.00 C ATOM 289 O LEU A 23 -5.999 4.800 3.251 1.00 0.00 O ATOM 290 CB LEU A 23 -4.697 1.947 4.722 1.00 0.00 C ATOM 291 CG LEU A 23 -4.768 1.042 3.490 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.828 1.539 2.505 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.394 0.903 2.832 1.00 0.00 C ATOM 0 H LEU A 23 -3.614 3.495 6.378 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.926 3.469 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.911 1.573 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.637 1.860 5.267 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.072 0.047 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.858 0.878 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.803 1.544 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.579 2.550 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.472 0.255 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.037 1.886 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.692 0.469 3.544 1.00 0.00 H new ATOM 305 N GLU A 24 -6.432 4.358 5.426 1.00 0.00 N ATOM 306 CA GLU A 24 -7.668 5.121 5.450 1.00 0.00 C ATOM 307 C GLU A 24 -7.443 6.515 4.860 1.00 0.00 C ATOM 308 O GLU A 24 -8.387 7.164 4.414 1.00 0.00 O ATOM 309 CB GLU A 24 -8.229 5.212 6.871 1.00 0.00 C ATOM 310 CG GLU A 24 -9.275 4.122 7.118 1.00 0.00 C ATOM 311 CD GLU A 24 -8.767 3.095 8.131 1.00 0.00 C ATOM 312 OE1 GLU A 24 -7.737 2.456 7.824 1.00 0.00 O ATOM 313 OE2 GLU A 24 -9.420 2.971 9.190 1.00 0.00 O ATOM 0 H GLU A 24 -6.187 3.916 6.312 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.404 4.602 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.418 5.114 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.677 6.193 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.197 4.574 7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.515 3.624 6.179 1.00 0.00 H new ATOM 320 N ASN A 25 -6.186 6.933 4.876 1.00 0.00 N ATOM 321 CA ASN A 25 -5.824 8.237 4.348 1.00 0.00 C ATOM 322 C ASN A 25 -4.719 8.072 3.304 1.00 0.00 C ATOM 323 O ASN A 25 -3.789 8.875 3.246 1.00 0.00 O ATOM 324 CB ASN A 25 -5.296 9.152 5.455 1.00 0.00 C ATOM 325 CG ASN A 25 -6.203 9.105 6.686 1.00 0.00 C ATOM 326 OD1 ASN A 25 -7.411 8.964 6.593 1.00 0.00 O ATOM 327 ND2 ASN A 25 -5.555 9.230 7.840 1.00 0.00 N ATOM 0 H ASN A 25 -5.405 6.391 5.247 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.716 8.681 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.286 8.849 5.731 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.231 10.175 5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.071 9.211 8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.542 9.345 7.846 1.00 0.00 H new ATOM 334 N LEU A 26 -4.856 7.024 2.504 1.00 0.00 N ATOM 335 CA LEU A 26 -3.881 6.742 1.465 1.00 0.00 C ATOM 336 C LEU A 26 -4.233 7.544 0.210 1.00 0.00 C ATOM 337 O LEU A 26 -3.357 7.863 -0.593 1.00 0.00 O ATOM 338 CB LEU A 26 -3.776 5.235 1.223 1.00 0.00 C ATOM 339 CG LEU A 26 -3.396 4.809 -0.197 1.00 0.00 C ATOM 340 CD1 LEU A 26 -1.970 5.248 -0.537 1.00 0.00 C ATOM 341 CD2 LEU A 26 -3.594 3.304 -0.389 1.00 0.00 C ATOM 0 H LEU A 26 -5.628 6.360 2.555 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.887 7.061 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.038 4.827 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.734 4.779 1.474 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.064 5.313 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.724 4.933 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.897 6.333 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.272 4.791 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.317 3.027 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.967 2.761 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.640 3.050 -0.216 1.00 0.00 H new ATOM 353 N GLU A 27 -5.516 7.847 0.081 1.00 0.00 N ATOM 354 CA GLU A 27 -5.995 8.606 -1.062 1.00 0.00 C ATOM 355 C GLU A 27 -5.397 10.014 -1.052 1.00 0.00 C ATOM 356 O GLU A 27 -5.248 10.636 -2.103 1.00 0.00 O ATOM 357 CB GLU A 27 -7.524 8.658 -1.084 1.00 0.00 C ATOM 358 CG GLU A 27 -8.110 7.347 -1.610 1.00 0.00 C ATOM 359 CD GLU A 27 -9.576 7.524 -2.011 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.249 8.347 -1.354 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.990 6.832 -2.967 1.00 0.00 O ATOM 0 H GLU A 27 -6.239 7.581 0.749 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.669 8.101 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.899 8.851 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.854 9.486 -1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.533 7.005 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.029 6.575 -0.844 1.00 0.00 H new ATOM 368 N ASN A 28 -5.072 10.476 0.146 1.00 0.00 N ATOM 369 CA ASN A 28 -4.495 11.800 0.307 1.00 0.00 C ATOM 370 C ASN A 28 -3.104 11.672 0.932 1.00 0.00 C ATOM 371 O ASN A 28 -2.598 12.622 1.528 1.00 0.00 O ATOM 372 CB ASN A 28 -5.352 12.666 1.232 1.00 0.00 C ATOM 373 CG ASN A 28 -6.608 13.161 0.512 1.00 0.00 C ATOM 374 OD1 ASN A 28 -7.400 12.393 -0.007 1.00 0.00 O ATOM 375 ND2 ASN A 28 -6.744 14.484 0.510 1.00 0.00 N ATOM 0 H ASN A 28 -5.197 9.957 1.015 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.442 12.267 -0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.636 12.091 2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.769 13.518 1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.550 14.913 0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.043 15.069 0.964 1.00 0.00 H new ATOM 382 N LEU A 29 -2.526 10.491 0.775 1.00 0.00 N ATOM 383 CA LEU A 29 -1.204 10.227 1.316 1.00 0.00 C ATOM 384 C LEU A 29 -0.150 10.886 0.423 1.00 0.00 C ATOM 385 O LEU A 29 0.009 10.509 -0.736 1.00 0.00 O ATOM 386 CB LEU A 29 -0.993 8.724 1.508 1.00 0.00 C ATOM 387 CG LEU A 29 0.443 8.221 1.348 1.00 0.00 C ATOM 388 CD1 LEU A 29 0.783 7.996 -0.127 1.00 0.00 C ATOM 389 CD2 LEU A 29 1.434 9.169 2.026 1.00 0.00 C ATOM 0 H LEU A 29 -2.949 9.706 0.281 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.104 10.669 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.343 8.453 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.624 8.195 0.794 1.00 0.00 H new ATOM 0 HG LEU A 29 0.526 7.256 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.809 7.639 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.104 7.255 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.679 8.934 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.447 8.789 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.358 10.158 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.204 9.236 3.089 1.00 0.00 H new ATOM 401 N ASP A 30 0.541 11.860 0.998 1.00 0.00 N ATOM 402 CA ASP A 30 1.574 12.575 0.268 1.00 0.00 C ATOM 403 C ASP A 30 2.726 11.618 -0.046 1.00 0.00 C ATOM 404 O ASP A 30 3.727 11.590 0.668 1.00 0.00 O ATOM 405 CB ASP A 30 2.134 13.731 1.099 1.00 0.00 C ATOM 406 CG ASP A 30 3.228 14.551 0.411 1.00 0.00 C ATOM 407 OD1 ASP A 30 3.524 14.232 -0.761 1.00 0.00 O ATOM 408 OD2 ASP A 30 3.744 15.477 1.073 1.00 0.00 O ATOM 0 H ASP A 30 0.406 12.170 1.960 1.00 0.00 H new ATOM 0 HA ASP A 30 1.130 12.969 -0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.314 14.398 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.533 13.329 2.030 1.00 0.00 H new ATOM 413 N VAL A 31 2.545 10.857 -1.115 1.00 0.00 N ATOM 414 CA VAL A 31 3.557 9.901 -1.533 1.00 0.00 C ATOM 415 C VAL A 31 4.898 10.620 -1.690 1.00 0.00 C ATOM 416 O VAL A 31 5.952 10.033 -1.453 1.00 0.00 O ATOM 417 CB VAL A 31 3.108 9.188 -2.811 1.00 0.00 C ATOM 418 CG1 VAL A 31 2.626 10.194 -3.859 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.227 8.307 -3.369 1.00 0.00 C ATOM 0 H VAL A 31 1.713 10.883 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 31 3.689 9.129 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 31 2.268 8.541 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.313 9.662 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.784 10.760 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.438 10.878 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.882 7.812 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.095 8.924 -3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.502 7.556 -2.628 1.00 0.00 H new ATOM 429 N SER A 32 4.814 11.881 -2.088 1.00 0.00 N ATOM 430 CA SER A 32 6.009 12.686 -2.279 1.00 0.00 C ATOM 431 C SER A 32 6.663 12.981 -0.927 1.00 0.00 C ATOM 432 O SER A 32 7.756 13.541 -0.872 1.00 0.00 O ATOM 433 CB SER A 32 5.682 13.992 -3.006 1.00 0.00 C ATOM 434 OG SER A 32 6.429 14.132 -4.212 1.00 0.00 O ATOM 0 H SER A 32 3.938 12.365 -2.283 1.00 0.00 H new ATOM 0 HA SER A 32 6.707 12.121 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.616 14.024 -3.234 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.893 14.836 -2.349 1.00 0.00 H new ATOM 0 HG SER A 32 6.191 14.977 -4.648 1.00 0.00 H new ATOM 440 N ALA A 33 5.965 12.590 0.129 1.00 0.00 N ATOM 441 CA ALA A 33 6.465 12.805 1.477 1.00 0.00 C ATOM 442 C ALA A 33 7.565 11.785 1.777 1.00 0.00 C ATOM 443 O ALA A 33 8.620 12.141 2.301 1.00 0.00 O ATOM 444 CB ALA A 33 5.304 12.721 2.471 1.00 0.00 C ATOM 0 H ALA A 33 5.058 12.126 0.079 1.00 0.00 H new ATOM 0 HA ALA A 33 6.903 13.799 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.678 12.882 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.564 13.485 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.842 11.736 2.408 1.00 0.00 H new ATOM 450 N PHE A 34 7.281 10.538 1.434 1.00 0.00 N ATOM 451 CA PHE A 34 8.233 9.464 1.660 1.00 0.00 C ATOM 452 C PHE A 34 9.601 9.810 1.067 1.00 0.00 C ATOM 453 O PHE A 34 9.712 10.087 -0.126 1.00 0.00 O ATOM 454 CB PHE A 34 7.684 8.222 0.954 1.00 0.00 C ATOM 455 CG PHE A 34 6.324 7.758 1.480 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.211 7.288 2.751 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.228 7.816 0.677 1.00 0.00 C ATOM 458 CE1 PHE A 34 4.948 6.858 3.240 1.00 0.00 C ATOM 459 CE2 PHE A 34 3.966 7.386 1.165 1.00 0.00 C ATOM 460 CZ PHE A 34 3.853 6.916 2.436 1.00 0.00 C ATOM 0 H PHE A 34 6.405 10.247 1.001 1.00 0.00 H new ATOM 0 HA PHE A 34 8.361 9.300 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.598 8.431 -0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.401 7.408 1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.081 7.242 3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.318 8.189 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.858 6.485 4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.096 7.432 0.527 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.893 6.589 2.807 1.00 0.00 H new ATOM 470 N GLN A 35 10.607 9.781 1.928 1.00 0.00 N ATOM 471 CA GLN A 35 11.963 10.088 1.504 1.00 0.00 C ATOM 472 C GLN A 35 12.700 8.806 1.112 1.00 0.00 C ATOM 473 O GLN A 35 13.894 8.837 0.818 1.00 0.00 O ATOM 474 CB GLN A 35 12.721 10.844 2.597 1.00 0.00 C ATOM 475 CG GLN A 35 11.800 11.826 3.325 1.00 0.00 C ATOM 476 CD GLN A 35 12.525 12.493 4.496 1.00 0.00 C ATOM 477 OE1 GLN A 35 13.110 13.556 4.373 1.00 0.00 O ATOM 478 NE2 GLN A 35 12.454 11.810 5.635 1.00 0.00 N ATOM 0 H GLN A 35 10.511 9.550 2.917 1.00 0.00 H new ATOM 0 HA GLN A 35 11.911 10.736 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.139 10.135 3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.559 11.384 2.156 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.451 12.588 2.628 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.918 11.300 3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.947 10.925 5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.906 12.171 6.475 1.00 0.00 H new ATOM 487 N ALA A 36 11.957 7.708 1.122 1.00 0.00 N ATOM 488 CA ALA A 36 12.525 6.418 0.771 1.00 0.00 C ATOM 489 C ALA A 36 13.374 6.566 -0.493 1.00 0.00 C ATOM 490 O ALA A 36 13.320 7.595 -1.165 1.00 0.00 O ATOM 491 CB ALA A 36 11.401 5.394 0.602 1.00 0.00 C ATOM 0 H ALA A 36 10.967 7.686 1.368 1.00 0.00 H new ATOM 0 HA ALA A 36 13.178 6.057 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.827 4.426 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.847 5.304 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.727 5.721 -0.190 1.00 0.00 H new ATOM 497 N PRO A 37 14.159 5.494 -0.787 1.00 0.00 N ATOM 498 CA PRO A 37 15.018 5.495 -1.959 1.00 0.00 C ATOM 499 C PRO A 37 14.203 5.292 -3.237 1.00 0.00 C ATOM 500 O PRO A 37 13.037 4.903 -3.179 1.00 0.00 O ATOM 501 CB PRO A 37 16.022 4.381 -1.711 1.00 0.00 C ATOM 502 CG PRO A 37 15.408 3.498 -0.637 1.00 0.00 C ATOM 503 CD PRO A 37 14.248 4.259 -0.015 1.00 0.00 C ATOM 0 HA PRO A 37 15.528 6.447 -2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.209 3.814 -2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.980 4.785 -1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.061 2.559 -1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.150 3.247 0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.322 3.687 -0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.429 4.464 1.040 1.00 0.00 H new ATOM 511 N GLU A 38 14.847 5.565 -4.362 1.00 0.00 N ATOM 512 CA GLU A 38 14.196 5.417 -5.653 1.00 0.00 C ATOM 513 C GLU A 38 14.240 3.956 -6.105 1.00 0.00 C ATOM 514 O GLU A 38 13.811 3.632 -7.211 1.00 0.00 O ATOM 515 CB GLU A 38 14.836 6.334 -6.697 1.00 0.00 C ATOM 516 CG GLU A 38 14.454 7.795 -6.453 1.00 0.00 C ATOM 517 CD GLU A 38 13.949 8.453 -7.739 1.00 0.00 C ATOM 518 OE1 GLU A 38 13.400 7.708 -8.579 1.00 0.00 O ATOM 519 OE2 GLU A 38 14.125 9.685 -7.852 1.00 0.00 O ATOM 0 H GLU A 38 15.813 5.888 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 38 13.152 5.713 -5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.920 6.228 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.517 6.033 -7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.682 7.849 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.318 8.342 -6.076 1.00 0.00 H new ATOM 526 N ASP A 39 14.762 3.113 -5.226 1.00 0.00 N ATOM 527 CA ASP A 39 14.866 1.694 -5.521 1.00 0.00 C ATOM 528 C ASP A 39 14.378 0.890 -4.315 1.00 0.00 C ATOM 529 O ASP A 39 14.719 -0.283 -4.168 1.00 0.00 O ATOM 530 CB ASP A 39 16.317 1.295 -5.800 1.00 0.00 C ATOM 531 CG ASP A 39 17.219 2.433 -6.284 1.00 0.00 C ATOM 532 OD1 ASP A 39 16.913 2.978 -7.366 1.00 0.00 O ATOM 533 OD2 ASP A 39 18.193 2.731 -5.560 1.00 0.00 O ATOM 0 H ASP A 39 15.117 3.385 -4.310 1.00 0.00 H new ATOM 0 HA ASP A 39 14.259 1.487 -6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.744 0.875 -4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.323 0.503 -6.549 1.00 0.00 H new ATOM 538 N LEU A 40 13.589 1.552 -3.482 1.00 0.00 N ATOM 539 CA LEU A 40 13.051 0.913 -2.293 1.00 0.00 C ATOM 540 C LEU A 40 12.638 -0.521 -2.633 1.00 0.00 C ATOM 541 O LEU A 40 13.237 -1.476 -2.142 1.00 0.00 O ATOM 542 CB LEU A 40 11.920 1.754 -1.698 1.00 0.00 C ATOM 543 CG LEU A 40 11.292 1.218 -0.410 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.342 1.070 0.692 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.117 2.093 0.032 1.00 0.00 C ATOM 0 H LEU A 40 13.309 2.525 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 40 13.813 0.850 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.303 2.756 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.135 1.853 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 40 10.895 0.223 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.869 0.687 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.116 0.376 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.790 2.041 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.688 1.690 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.467 3.110 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.357 2.103 -0.749 1.00 0.00 H new ATOM 557 N LEU A 41 11.616 -0.626 -3.470 1.00 0.00 N ATOM 558 CA LEU A 41 11.116 -1.926 -3.881 1.00 0.00 C ATOM 559 C LEU A 41 11.787 -2.334 -5.194 1.00 0.00 C ATOM 560 O LEU A 41 11.112 -2.741 -6.140 1.00 0.00 O ATOM 561 CB LEU A 41 9.588 -1.916 -3.948 1.00 0.00 C ATOM 562 CG LEU A 41 8.881 -0.958 -2.987 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.591 -0.415 -3.605 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.631 -1.624 -1.633 1.00 0.00 C ATOM 0 H LEU A 41 11.121 0.169 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 41 11.374 -2.684 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.290 -1.664 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.229 -2.926 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 41 9.537 -0.106 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.108 0.263 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.826 0.122 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.919 -1.243 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.127 -0.921 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.004 -2.505 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.583 -1.921 -1.192 1.00 0.00 H new ATOM 576 N ASP A 42 13.106 -2.212 -5.211 1.00 0.00 N ATOM 577 CA ASP A 42 13.875 -2.562 -6.393 1.00 0.00 C ATOM 578 C ASP A 42 13.607 -4.025 -6.755 1.00 0.00 C ATOM 579 O ASP A 42 13.712 -4.907 -5.905 1.00 0.00 O ATOM 580 CB ASP A 42 15.375 -2.405 -6.141 1.00 0.00 C ATOM 581 CG ASP A 42 16.278 -3.189 -7.096 1.00 0.00 C ATOM 582 OD1 ASP A 42 15.807 -3.469 -8.220 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.417 -3.491 -6.680 1.00 0.00 O ATOM 0 H ASP A 42 13.662 -1.876 -4.425 1.00 0.00 H new ATOM 0 HA ASP A 42 13.574 -1.895 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.631 -1.348 -6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.591 -2.720 -5.120 1.00 0.00 H new ATOM 588 N GLY A 43 13.267 -4.236 -8.018 1.00 0.00 N ATOM 589 CA GLY A 43 12.983 -5.576 -8.503 1.00 0.00 C ATOM 590 C GLY A 43 11.961 -6.278 -7.607 1.00 0.00 C ATOM 591 O GLY A 43 12.100 -7.464 -7.312 1.00 0.00 O ATOM 0 H GLY A 43 13.182 -3.501 -8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.603 -5.524 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.904 -6.158 -8.535 1.00 0.00 H new ATOM 595 N CYS A 44 10.956 -5.516 -7.201 1.00 0.00 N ATOM 596 CA CYS A 44 9.910 -6.050 -6.345 1.00 0.00 C ATOM 597 C CYS A 44 8.563 -5.828 -7.036 1.00 0.00 C ATOM 598 O CYS A 44 8.050 -4.710 -7.057 1.00 0.00 O ATOM 599 CB CYS A 44 9.946 -5.424 -4.949 1.00 0.00 C ATOM 600 SG CYS A 44 11.588 -5.690 -4.186 1.00 0.00 S ATOM 0 H CYS A 44 10.844 -4.533 -7.449 1.00 0.00 H new ATOM 0 HA CYS A 44 10.069 -7.118 -6.196 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.735 -4.357 -5.015 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.170 -5.865 -4.324 1.00 0.00 H new ATOM 0 HG CYS A 44 12.498 -5.092 -4.896 1.00 0.00 H new ATOM 606 N ARG A 45 8.030 -6.909 -7.584 1.00 0.00 N ATOM 607 CA ARG A 45 6.753 -6.846 -8.274 1.00 0.00 C ATOM 608 C ARG A 45 5.603 -7.029 -7.281 1.00 0.00 C ATOM 609 O ARG A 45 5.485 -8.078 -6.650 1.00 0.00 O ATOM 610 CB ARG A 45 6.658 -7.923 -9.357 1.00 0.00 C ATOM 611 CG ARG A 45 7.602 -7.614 -10.521 1.00 0.00 C ATOM 612 CD ARG A 45 7.804 -8.847 -11.405 1.00 0.00 C ATOM 613 NE ARG A 45 9.096 -9.493 -11.085 1.00 0.00 N ATOM 614 CZ ARG A 45 9.678 -10.428 -11.848 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.086 -10.832 -12.981 1.00 0.00 N ATOM 616 NH2 ARG A 45 10.852 -10.959 -11.480 1.00 0.00 N ATOM 0 H ARG A 45 8.459 -7.834 -7.564 1.00 0.00 H new ATOM 0 HA ARG A 45 6.679 -5.866 -8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.906 -8.895 -8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.633 -7.987 -9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.195 -6.797 -11.117 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.564 -7.278 -10.134 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.987 -9.552 -11.251 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.783 -8.559 -12.456 1.00 0.00 H new ATOM 0 HE ARG A 45 9.574 -9.209 -10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.193 -10.428 -13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.529 -11.544 -13.562 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.303 -10.651 -10.618 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.294 -11.671 -12.061 1.00 0.00 H new ATOM 630 N ILE A 46 4.786 -5.992 -7.174 1.00 0.00 N ATOM 631 CA ILE A 46 3.650 -6.025 -6.268 1.00 0.00 C ATOM 632 C ILE A 46 2.354 -5.955 -7.079 1.00 0.00 C ATOM 633 O ILE A 46 2.352 -5.474 -8.211 1.00 0.00 O ATOM 634 CB ILE A 46 3.775 -4.925 -5.212 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.158 -4.946 -4.559 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.651 -5.028 -4.178 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.852 -3.590 -4.701 1.00 0.00 C ATOM 0 H ILE A 46 4.888 -5.124 -7.699 1.00 0.00 H new ATOM 0 HA ILE A 46 3.630 -6.964 -5.716 1.00 0.00 H new ATOM 0 HB ILE A 46 3.669 -3.961 -5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.062 -5.201 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.770 -5.722 -5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.763 -4.235 -3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.687 -4.926 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.701 -5.997 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.833 -3.632 -4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.968 -3.350 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.249 -2.821 -4.218 1.00 0.00 H new ATOM 649 N TYR A 47 1.284 -6.442 -6.468 1.00 0.00 N ATOM 650 CA TYR A 47 -0.014 -6.441 -7.119 1.00 0.00 C ATOM 651 C TYR A 47 -0.998 -5.533 -6.379 1.00 0.00 C ATOM 652 O TYR A 47 -1.161 -5.648 -5.165 1.00 0.00 O ATOM 653 CB TYR A 47 -0.521 -7.883 -7.053 1.00 0.00 C ATOM 654 CG TYR A 47 -1.965 -8.058 -7.526 1.00 0.00 C ATOM 655 CD1 TYR A 47 -2.269 -7.956 -8.869 1.00 0.00 C ATOM 656 CD2 TYR A 47 -2.965 -8.318 -6.610 1.00 0.00 C ATOM 657 CE1 TYR A 47 -3.628 -8.120 -9.314 1.00 0.00 C ATOM 658 CE2 TYR A 47 -4.324 -8.482 -7.056 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.589 -8.375 -8.385 1.00 0.00 C ATOM 660 OH TYR A 47 -5.873 -8.531 -8.806 1.00 0.00 O ATOM 0 H TYR A 47 1.290 -6.840 -5.529 1.00 0.00 H new ATOM 0 HA TYR A 47 0.071 -6.074 -8.142 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.128 -8.514 -7.661 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.441 -8.239 -6.026 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.487 -7.753 -9.586 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.728 -8.398 -5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.879 -8.042 -10.361 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.116 -8.686 -6.350 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.989 -8.090 -9.673 1.00 0.00 H new ATOM 670 N LEU A 48 -1.629 -4.652 -7.140 1.00 0.00 N ATOM 671 CA LEU A 48 -2.593 -3.725 -6.571 1.00 0.00 C ATOM 672 C LEU A 48 -3.995 -4.327 -6.673 1.00 0.00 C ATOM 673 O LEU A 48 -4.480 -4.598 -7.771 1.00 0.00 O ATOM 674 CB LEU A 48 -2.465 -2.349 -7.228 1.00 0.00 C ATOM 675 CG LEU A 48 -1.148 -1.609 -6.986 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.109 -0.290 -7.759 1.00 0.00 C ATOM 677 CD2 LEU A 48 -0.901 -1.405 -5.490 1.00 0.00 C ATOM 0 H LEU A 48 -1.492 -4.560 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.390 -3.567 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.599 -2.468 -8.303 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.282 -1.721 -6.872 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.334 -2.227 -7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.162 0.215 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.205 -0.491 -8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.932 0.347 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.041 -0.877 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.715 -0.819 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.853 -2.374 -4.994 1.00 0.00 H new ATOM 689 N CYS A 49 -4.608 -4.519 -5.515 1.00 0.00 N ATOM 690 CA CYS A 49 -5.945 -5.084 -5.460 1.00 0.00 C ATOM 691 C CYS A 49 -6.796 -4.216 -4.530 1.00 0.00 C ATOM 692 O CYS A 49 -6.471 -4.056 -3.355 1.00 0.00 O ATOM 693 CB CYS A 49 -5.923 -6.547 -5.013 1.00 0.00 C ATOM 694 SG CYS A 49 -7.325 -7.452 -5.764 1.00 0.00 S ATOM 0 H CYS A 49 -4.203 -4.293 -4.606 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.384 -5.084 -6.458 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.981 -7.011 -5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.983 -6.605 -3.926 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.296 -8.694 -5.380 1.00 0.00 H new ATOM 700 N GLY A 50 -7.869 -3.679 -5.092 1.00 0.00 N ATOM 701 CA GLY A 50 -8.769 -2.832 -4.328 1.00 0.00 C ATOM 702 C GLY A 50 -8.340 -1.365 -4.407 1.00 0.00 C ATOM 703 O GLY A 50 -8.460 -0.626 -3.431 1.00 0.00 O ATOM 0 H GLY A 50 -8.135 -3.814 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.785 -2.939 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.783 -3.155 -3.287 1.00 0.00 H new ATOM 707 N PHE A 51 -7.847 -0.988 -5.577 1.00 0.00 N ATOM 708 CA PHE A 51 -7.399 0.377 -5.796 1.00 0.00 C ATOM 709 C PHE A 51 -7.833 0.883 -7.173 1.00 0.00 C ATOM 710 O PHE A 51 -7.581 0.231 -8.185 1.00 0.00 O ATOM 711 CB PHE A 51 -5.871 0.363 -5.729 1.00 0.00 C ATOM 712 CG PHE A 51 -5.311 0.079 -4.334 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.841 0.705 -3.249 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.284 -0.798 -4.178 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.322 0.443 -1.953 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.765 -1.061 -2.883 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.295 -0.435 -1.798 1.00 0.00 C ATOM 0 H PHE A 51 -7.748 -1.604 -6.384 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.833 1.036 -5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.494 -0.391 -6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.494 1.327 -6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.657 1.402 -3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.863 -1.295 -5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.743 0.941 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.949 -1.758 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.900 -0.635 -0.813 1.00 0.00 H new ATOM 727 N SER A 52 -8.478 2.040 -7.167 1.00 0.00 N ATOM 728 CA SER A 52 -8.949 2.641 -8.403 1.00 0.00 C ATOM 729 C SER A 52 -8.819 4.163 -8.328 1.00 0.00 C ATOM 730 O SER A 52 -8.294 4.791 -9.247 1.00 0.00 O ATOM 731 CB SER A 52 -10.399 2.245 -8.690 1.00 0.00 C ATOM 732 OG SER A 52 -11.240 2.440 -7.556 1.00 0.00 O ATOM 0 H SER A 52 -8.686 2.578 -6.325 1.00 0.00 H new ATOM 0 HA SER A 52 -8.331 2.270 -9.221 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.777 2.833 -9.527 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.436 1.199 -8.993 1.00 0.00 H new ATOM 0 HG SER A 52 -12.157 2.178 -7.780 1.00 0.00 H new ATOM 738 N GLY A 53 -9.306 4.713 -7.226 1.00 0.00 N ATOM 739 CA GLY A 53 -9.251 6.150 -7.019 1.00 0.00 C ATOM 740 C GLY A 53 -7.815 6.614 -6.770 1.00 0.00 C ATOM 741 O GLY A 53 -6.890 6.173 -7.451 1.00 0.00 O ATOM 0 H GLY A 53 -9.741 4.189 -6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.656 6.662 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.877 6.423 -6.170 1.00 0.00 H new ATOM 745 N ARG A 54 -7.672 7.497 -5.793 1.00 0.00 N ATOM 746 CA ARG A 54 -6.364 8.025 -5.446 1.00 0.00 C ATOM 747 C ARG A 54 -5.452 6.901 -4.951 1.00 0.00 C ATOM 748 O ARG A 54 -4.251 6.909 -5.214 1.00 0.00 O ATOM 749 CB ARG A 54 -6.473 9.099 -4.361 1.00 0.00 C ATOM 750 CG ARG A 54 -7.127 10.368 -4.911 1.00 0.00 C ATOM 751 CD ARG A 54 -8.404 10.706 -4.137 1.00 0.00 C ATOM 752 NE ARG A 54 -9.501 11.012 -5.082 1.00 0.00 N ATOM 753 CZ ARG A 54 -9.472 12.015 -5.969 1.00 0.00 C ATOM 754 NH1 ARG A 54 -8.400 12.816 -6.039 1.00 0.00 N ATOM 755 NH2 ARG A 54 -10.514 12.218 -6.787 1.00 0.00 N ATOM 0 H ARG A 54 -8.441 7.860 -5.230 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.939 8.474 -6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.058 8.718 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.481 9.334 -3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.426 11.200 -4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.362 10.232 -5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.685 9.868 -3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.228 11.560 -3.483 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.332 10.421 -5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.607 12.662 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.377 13.580 -6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.330 11.608 -6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.491 12.982 -7.462 1.00 0.00 H new ATOM 769 N LYS A 55 -6.058 5.960 -4.242 1.00 0.00 N ATOM 770 CA LYS A 55 -5.316 4.831 -3.707 1.00 0.00 C ATOM 771 C LYS A 55 -4.375 4.288 -4.785 1.00 0.00 C ATOM 772 O LYS A 55 -3.184 4.103 -4.538 1.00 0.00 O ATOM 773 CB LYS A 55 -6.273 3.780 -3.141 1.00 0.00 C ATOM 774 CG LYS A 55 -7.256 4.409 -2.152 1.00 0.00 C ATOM 775 CD LYS A 55 -7.753 3.376 -1.140 1.00 0.00 C ATOM 776 CE LYS A 55 -7.637 3.908 0.290 1.00 0.00 C ATOM 777 NZ LYS A 55 -8.877 3.630 1.049 1.00 0.00 N ATOM 0 H LYS A 55 -7.055 5.956 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.694 5.147 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.823 3.308 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.704 2.995 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.772 5.233 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.103 4.829 -2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.791 3.122 -1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.174 2.458 -1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.786 3.444 0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.448 4.981 0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.781 3.998 2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.682 4.093 0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.040 2.603 1.083 1.00 0.00 H new ATOM 791 N LEU A 56 -4.944 4.049 -5.957 1.00 0.00 N ATOM 792 CA LEU A 56 -4.171 3.532 -7.073 1.00 0.00 C ATOM 793 C LEU A 56 -3.114 4.561 -7.476 1.00 0.00 C ATOM 794 O LEU A 56 -1.919 4.332 -7.296 1.00 0.00 O ATOM 795 CB LEU A 56 -5.096 3.119 -8.220 1.00 0.00 C ATOM 796 CG LEU A 56 -4.449 2.307 -9.344 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.364 1.379 -8.795 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.505 1.543 -10.146 1.00 0.00 C ATOM 0 H LEU A 56 -5.932 4.204 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.639 2.626 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.919 2.537 -7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.530 4.020 -8.653 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.963 3.000 -10.030 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.920 0.813 -9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.593 1.972 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.805 0.689 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.019 0.974 -10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.040 0.861 -9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.209 2.249 -10.586 1.00 0.00 H new ATOM 810 N ASP A 57 -3.592 5.674 -8.013 1.00 0.00 N ATOM 811 CA ASP A 57 -2.702 6.739 -8.443 1.00 0.00 C ATOM 812 C ASP A 57 -1.575 6.901 -7.421 1.00 0.00 C ATOM 813 O ASP A 57 -0.416 7.075 -7.792 1.00 0.00 O ATOM 814 CB ASP A 57 -3.446 8.073 -8.540 1.00 0.00 C ATOM 815 CG ASP A 57 -2.552 9.300 -8.724 1.00 0.00 C ATOM 816 OD1 ASP A 57 -2.063 9.806 -7.691 1.00 0.00 O ATOM 817 OD2 ASP A 57 -2.378 9.706 -9.893 1.00 0.00 O ATOM 0 H ASP A 57 -4.584 5.861 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.308 6.473 -9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.144 8.022 -9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.040 8.207 -7.636 1.00 0.00 H new ATOM 822 N LYS A 58 -1.956 6.837 -6.153 1.00 0.00 N ATOM 823 CA LYS A 58 -0.991 6.974 -5.075 1.00 0.00 C ATOM 824 C LYS A 58 0.064 5.873 -5.198 1.00 0.00 C ATOM 825 O LYS A 58 1.214 6.146 -5.537 1.00 0.00 O ATOM 826 CB LYS A 58 -1.702 6.996 -3.720 1.00 0.00 C ATOM 827 CG LYS A 58 -2.459 8.311 -3.520 1.00 0.00 C ATOM 828 CD LYS A 58 -1.498 9.451 -3.180 1.00 0.00 C ATOM 829 CE LYS A 58 -2.263 10.702 -2.743 1.00 0.00 C ATOM 830 NZ LYS A 58 -1.335 11.839 -2.559 1.00 0.00 N ATOM 0 H LYS A 58 -2.919 6.692 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.468 7.927 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.397 6.159 -3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.973 6.867 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.014 8.556 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.190 8.196 -2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.823 9.137 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.881 9.683 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.014 10.956 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.794 10.504 -1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.846 12.639 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.556 11.553 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.949 12.125 -3.482 1.00 0.00 H new ATOM 844 N LEU A 59 -0.365 4.652 -4.914 1.00 0.00 N ATOM 845 CA LEU A 59 0.528 3.508 -4.988 1.00 0.00 C ATOM 846 C LEU A 59 1.347 3.589 -6.279 1.00 0.00 C ATOM 847 O LEU A 59 2.566 3.426 -6.256 1.00 0.00 O ATOM 848 CB LEU A 59 -0.257 2.204 -4.839 1.00 0.00 C ATOM 849 CG LEU A 59 -0.603 1.789 -3.408 1.00 0.00 C ATOM 850 CD1 LEU A 59 -1.410 0.489 -3.393 1.00 0.00 C ATOM 851 CD2 LEU A 59 0.656 1.692 -2.545 1.00 0.00 C ATOM 0 H LEU A 59 -1.320 4.430 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 59 1.235 3.523 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.185 2.295 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.319 1.402 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.233 2.564 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.642 0.217 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.337 0.630 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.826 -0.307 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.381 1.395 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.332 0.950 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.153 2.662 -2.517 1.00 0.00 H new ATOM 863 N ARG A 60 0.644 3.841 -7.373 1.00 0.00 N ATOM 864 CA ARG A 60 1.290 3.945 -8.670 1.00 0.00 C ATOM 865 C ARG A 60 2.539 4.824 -8.572 1.00 0.00 C ATOM 866 O ARG A 60 3.486 4.650 -9.337 1.00 0.00 O ATOM 867 CB ARG A 60 0.340 4.537 -9.713 1.00 0.00 C ATOM 868 CG ARG A 60 -0.586 3.460 -10.284 1.00 0.00 C ATOM 869 CD ARG A 60 -1.819 4.088 -10.937 1.00 0.00 C ATOM 870 NE ARG A 60 -1.405 5.041 -11.991 1.00 0.00 N ATOM 871 CZ ARG A 60 -2.259 5.703 -12.782 1.00 0.00 C ATOM 872 NH1 ARG A 60 -3.579 5.521 -12.644 1.00 0.00 N ATOM 873 NH2 ARG A 60 -1.793 6.548 -13.712 1.00 0.00 N ATOM 0 H ARG A 60 -0.367 3.976 -7.388 1.00 0.00 H new ATOM 0 HA ARG A 60 1.572 2.939 -8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.255 5.330 -9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.916 4.991 -10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.046 2.863 -11.018 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.896 2.783 -9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.449 3.309 -11.367 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.417 4.603 -10.185 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.407 5.204 -12.123 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.934 4.878 -11.936 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.229 6.025 -13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.788 6.687 -13.817 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.443 7.052 -14.315 1.00 0.00 H new ATOM 887 N ARG A 61 2.499 5.749 -7.624 1.00 0.00 N ATOM 888 CA ARG A 61 3.616 6.655 -7.416 1.00 0.00 C ATOM 889 C ARG A 61 4.613 6.050 -6.426 1.00 0.00 C ATOM 890 O ARG A 61 5.812 6.313 -6.508 1.00 0.00 O ATOM 891 CB ARG A 61 3.136 8.007 -6.884 1.00 0.00 C ATOM 892 CG ARG A 61 2.354 8.771 -7.954 1.00 0.00 C ATOM 893 CD ARG A 61 2.144 10.230 -7.543 1.00 0.00 C ATOM 894 NE ARG A 61 1.196 10.885 -8.471 1.00 0.00 N ATOM 895 CZ ARG A 61 1.115 12.211 -8.649 1.00 0.00 C ATOM 896 NH1 ARG A 61 1.925 13.030 -7.965 1.00 0.00 N ATOM 897 NH2 ARG A 61 0.223 12.717 -9.512 1.00 0.00 N ATOM 0 H ARG A 61 1.711 5.891 -6.992 1.00 0.00 H new ATOM 0 HA ARG A 61 4.103 6.808 -8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.506 7.854 -6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.992 8.600 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.892 8.730 -8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.388 8.292 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.760 10.278 -6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.097 10.759 -7.550 1.00 0.00 H new ATOM 0 HE ARG A 61 0.565 10.291 -9.009 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.604 12.645 -7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.863 14.039 -8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.394 12.093 -10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.161 13.726 -9.648 1.00 0.00 H new ATOM 911 N LEU A 62 4.081 5.250 -5.513 1.00 0.00 N ATOM 912 CA LEU A 62 4.909 4.605 -4.508 1.00 0.00 C ATOM 913 C LEU A 62 5.662 3.437 -5.148 1.00 0.00 C ATOM 914 O LEU A 62 6.882 3.489 -5.300 1.00 0.00 O ATOM 915 CB LEU A 62 4.067 4.204 -3.296 1.00 0.00 C ATOM 916 CG LEU A 62 3.834 5.296 -2.250 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.430 5.890 -2.380 1.00 0.00 C ATOM 918 CD2 LEU A 62 4.105 4.771 -0.839 1.00 0.00 C ATOM 0 H LEU A 62 3.086 5.034 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 62 5.659 5.299 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.097 3.856 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.550 3.358 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 62 4.543 6.103 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.291 6.664 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.310 6.325 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.688 5.105 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.932 5.567 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.437 3.936 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.139 4.435 -0.768 1.00 0.00 H new ATOM 930 N ILE A 63 4.904 2.411 -5.505 1.00 0.00 N ATOM 931 CA ILE A 63 5.485 1.231 -6.124 1.00 0.00 C ATOM 932 C ILE A 63 6.519 1.664 -7.165 1.00 0.00 C ATOM 933 O ILE A 63 7.545 1.008 -7.336 1.00 0.00 O ATOM 934 CB ILE A 63 4.387 0.326 -6.686 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.561 -0.298 -5.560 1.00 0.00 C ATOM 936 CG2 ILE A 63 4.975 -0.733 -7.621 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.064 -0.222 -5.871 1.00 0.00 C ATOM 0 H ILE A 63 3.893 2.372 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 63 6.012 0.631 -5.382 1.00 0.00 H new ATOM 0 HB ILE A 63 3.709 0.939 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.855 -1.338 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.768 0.219 -4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.174 -1.363 -8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.483 -0.243 -8.452 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.688 -1.348 -7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.499 -0.673 -5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.768 0.821 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.857 -0.760 -6.796 1.00 0.00 H new ATOM 949 N ASN A 64 6.212 2.766 -7.835 1.00 0.00 N ATOM 950 CA ASN A 64 7.102 3.294 -8.855 1.00 0.00 C ATOM 951 C ASN A 64 8.261 4.031 -8.182 1.00 0.00 C ATOM 952 O ASN A 64 9.419 3.847 -8.555 1.00 0.00 O ATOM 953 CB ASN A 64 6.372 4.287 -9.762 1.00 0.00 C ATOM 954 CG ASN A 64 7.185 4.574 -11.026 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.830 3.706 -11.591 1.00 0.00 O ATOM 956 ND2 ASN A 64 7.118 5.837 -11.436 1.00 0.00 N ATOM 0 H ASN A 64 5.359 3.307 -7.691 1.00 0.00 H new ATOM 0 HA ASN A 64 7.464 2.458 -9.453 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.396 3.886 -10.036 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.194 5.216 -9.221 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.626 6.130 -12.271 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.559 6.513 -10.916 1.00 0.00 H new ATOM 963 N SER A 65 7.910 4.851 -7.202 1.00 0.00 N ATOM 964 CA SER A 65 8.907 5.618 -6.474 1.00 0.00 C ATOM 965 C SER A 65 9.941 4.676 -5.854 1.00 0.00 C ATOM 966 O SER A 65 11.131 4.985 -5.829 1.00 0.00 O ATOM 967 CB SER A 65 8.256 6.479 -5.390 1.00 0.00 C ATOM 968 OG SER A 65 9.217 7.017 -4.487 1.00 0.00 O ATOM 0 H SER A 65 6.949 5.001 -6.895 1.00 0.00 H new ATOM 0 HA SER A 65 9.407 6.284 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.702 7.293 -5.858 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.534 5.879 -4.836 1.00 0.00 H new ATOM 0 HG SER A 65 8.762 7.562 -3.811 1.00 0.00 H new ATOM 974 N GLY A 66 9.448 3.546 -5.369 1.00 0.00 N ATOM 975 CA GLY A 66 10.315 2.556 -4.750 1.00 0.00 C ATOM 976 C GLY A 66 11.027 1.712 -5.809 1.00 0.00 C ATOM 977 O GLY A 66 11.839 0.851 -5.478 1.00 0.00 O ATOM 0 H GLY A 66 8.460 3.293 -5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.052 3.055 -4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.727 1.909 -4.099 1.00 0.00 H new ATOM 981 N GLY A 67 10.696 1.990 -7.062 1.00 0.00 N ATOM 982 CA GLY A 67 11.294 1.267 -8.172 1.00 0.00 C ATOM 983 C GLY A 67 10.556 -0.048 -8.430 1.00 0.00 C ATOM 984 O GLY A 67 10.784 -0.702 -9.446 1.00 0.00 O ATOM 0 H GLY A 67 10.022 2.706 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.268 1.885 -9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.343 1.063 -7.955 1.00 0.00 H new ATOM 988 N GLY A 68 9.685 -0.395 -7.494 1.00 0.00 N ATOM 989 CA GLY A 68 8.912 -1.620 -7.607 1.00 0.00 C ATOM 990 C GLY A 68 7.966 -1.562 -8.808 1.00 0.00 C ATOM 991 O GLY A 68 7.721 -0.489 -9.358 1.00 0.00 O ATOM 0 H GLY A 68 9.497 0.151 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.585 -2.471 -7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.337 -1.777 -6.694 1.00 0.00 H new ATOM 995 N VAL A 69 7.460 -2.729 -9.179 1.00 0.00 N ATOM 996 CA VAL A 69 6.546 -2.824 -10.305 1.00 0.00 C ATOM 997 C VAL A 69 5.187 -3.324 -9.812 1.00 0.00 C ATOM 998 O VAL A 69 5.080 -4.436 -9.295 1.00 0.00 O ATOM 999 CB VAL A 69 7.149 -3.711 -11.396 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.075 -4.179 -12.379 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.283 -2.987 -12.126 1.00 0.00 C ATOM 0 H VAL A 69 7.665 -3.616 -8.720 1.00 0.00 H new ATOM 0 HA VAL A 69 6.389 -1.843 -10.753 1.00 0.00 H new ATOM 0 HB VAL A 69 7.570 -4.594 -10.915 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.531 -4.808 -13.144 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.317 -4.751 -11.844 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.611 -3.313 -12.851 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.695 -3.639 -12.896 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.897 -2.078 -12.588 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.066 -2.727 -11.414 1.00 0.00 H new ATOM 1011 N ARG A 70 4.181 -2.479 -9.988 1.00 0.00 N ATOM 1012 CA ARG A 70 2.833 -2.822 -9.567 1.00 0.00 C ATOM 1013 C ARG A 70 2.089 -3.533 -10.699 1.00 0.00 C ATOM 1014 O ARG A 70 2.022 -3.026 -11.818 1.00 0.00 O ATOM 1015 CB ARG A 70 2.050 -1.573 -9.157 1.00 0.00 C ATOM 1016 CG ARG A 70 1.643 -0.754 -10.383 1.00 0.00 C ATOM 1017 CD ARG A 70 1.709 0.746 -10.087 1.00 0.00 C ATOM 1018 NE ARG A 70 3.120 1.194 -10.056 1.00 0.00 N ATOM 1019 CZ ARG A 70 3.888 1.332 -11.145 1.00 0.00 C ATOM 1020 NH1 ARG A 70 3.387 1.059 -12.358 1.00 0.00 N ATOM 1021 NH2 ARG A 70 5.157 1.744 -11.022 1.00 0.00 N ATOM 0 H ARG A 70 4.273 -1.558 -10.416 1.00 0.00 H new ATOM 0 HA ARG A 70 2.913 -3.486 -8.706 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.161 -1.864 -8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.658 -0.960 -8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.301 -0.993 -11.219 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.631 -1.024 -10.686 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.160 1.300 -10.848 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.230 0.958 -9.131 1.00 0.00 H new ATOM 0 HE ARG A 70 3.533 1.411 -9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.421 0.746 -12.452 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.972 1.164 -13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.538 1.953 -10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.742 1.849 -11.851 1.00 0.00 H new ATOM 1035 N PHE A 71 1.548 -4.697 -10.369 1.00 0.00 N ATOM 1036 CA PHE A 71 0.810 -5.483 -11.343 1.00 0.00 C ATOM 1037 C PHE A 71 -0.696 -5.254 -11.206 1.00 0.00 C ATOM 1038 O PHE A 71 -1.257 -5.423 -10.124 1.00 0.00 O ATOM 1039 CB PHE A 71 1.119 -6.954 -11.058 1.00 0.00 C ATOM 1040 CG PHE A 71 2.149 -7.569 -12.007 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.401 -7.044 -12.086 1.00 0.00 C ATOM 1042 CD2 PHE A 71 1.813 -8.642 -12.772 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.357 -7.615 -12.967 1.00 0.00 C ATOM 1044 CE2 PHE A 71 2.768 -9.213 -13.653 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.020 -8.688 -13.732 1.00 0.00 C ATOM 0 H PHE A 71 1.606 -5.115 -9.440 1.00 0.00 H new ATOM 0 HA PHE A 71 1.103 -5.194 -12.352 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.482 -7.046 -10.035 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.194 -7.528 -11.121 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.668 -6.192 -11.478 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.819 -9.060 -12.709 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.351 -7.198 -13.030 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.500 -10.065 -14.261 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.747 -9.123 -14.402 1.00 0.00 H new ATOM 1055 N ASN A 72 -1.309 -4.873 -12.317 1.00 0.00 N ATOM 1056 CA ASN A 72 -2.739 -4.620 -12.334 1.00 0.00 C ATOM 1057 C ASN A 72 -3.489 -5.953 -12.311 1.00 0.00 C ATOM 1058 O ASN A 72 -4.661 -6.004 -11.940 1.00 0.00 O ATOM 1059 CB ASN A 72 -3.150 -3.868 -13.601 1.00 0.00 C ATOM 1060 CG ASN A 72 -2.484 -2.493 -13.664 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -1.490 -2.286 -14.340 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -3.084 -1.566 -12.922 1.00 0.00 N ATOM 0 H ASN A 72 -0.841 -4.733 -13.212 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.985 -4.016 -11.460 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.873 -4.451 -14.480 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.234 -3.752 -13.624 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.714 -0.616 -12.896 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.914 -1.806 -12.379 1.00 0.00 H new ATOM 1069 N GLN A 73 -2.783 -7.000 -12.711 1.00 0.00 N ATOM 1070 CA GLN A 73 -3.367 -8.330 -12.741 1.00 0.00 C ATOM 1071 C GLN A 73 -2.507 -9.306 -11.936 1.00 0.00 C ATOM 1072 O GLN A 73 -1.280 -9.229 -11.967 1.00 0.00 O ATOM 1073 CB GLN A 73 -3.548 -8.817 -14.180 1.00 0.00 C ATOM 1074 CG GLN A 73 -4.405 -7.839 -14.987 1.00 0.00 C ATOM 1075 CD GLN A 73 -4.118 -7.966 -16.485 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -3.003 -7.791 -16.946 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -5.185 -8.279 -17.215 1.00 0.00 N ATOM 0 H GLN A 73 -1.811 -6.954 -13.017 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.354 -8.282 -12.281 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.573 -8.929 -14.655 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.017 -9.801 -14.178 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.461 -8.033 -14.798 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.205 -6.819 -14.660 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.090 -8.412 -16.764 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.098 -8.386 -18.226 1.00 0.00 H new ATOM 1086 N LEU A 74 -3.185 -10.202 -11.233 1.00 0.00 N ATOM 1087 CA LEU A 74 -2.499 -11.192 -10.421 1.00 0.00 C ATOM 1088 C LEU A 74 -1.828 -12.219 -11.336 1.00 0.00 C ATOM 1089 O LEU A 74 -2.472 -12.783 -12.219 1.00 0.00 O ATOM 1090 CB LEU A 74 -3.459 -11.809 -9.403 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.831 -12.287 -8.092 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -1.372 -12.698 -8.302 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -2.978 -11.230 -6.996 1.00 0.00 C ATOM 0 H LEU A 74 -4.203 -10.263 -11.209 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.709 -10.723 -9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.229 -11.074 -9.167 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.960 -12.656 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.370 -13.173 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.949 -13.034 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.323 -13.509 -9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.803 -11.845 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.523 -11.595 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.480 -10.312 -7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.035 -11.029 -6.824 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.543 -12.431 -11.092 1.00 0.00 N ATOM 1106 CA ASN A 75 0.222 -13.380 -11.882 1.00 0.00 C ATOM 1107 C ASN A 75 1.382 -13.919 -11.042 1.00 0.00 C ATOM 1108 O ASN A 75 1.551 -13.529 -9.888 1.00 0.00 O ATOM 1109 CB ASN A 75 0.810 -12.713 -13.127 1.00 0.00 C ATOM 1110 CG ASN A 75 -0.238 -12.601 -14.236 1.00 0.00 C ATOM 1111 OD1 ASN A 75 -0.688 -13.584 -14.802 1.00 0.00 O ATOM 1112 ND2 ASN A 75 -0.601 -11.352 -14.514 1.00 0.00 N ATOM 0 H ASN A 75 -0.013 -11.962 -10.358 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.449 -14.183 -12.186 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.181 -11.721 -12.871 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.663 -13.290 -13.485 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.295 -11.172 -15.239 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.185 -10.574 -14.002 1.00 0.00 H new ATOM 1119 N GLU A 76 2.151 -14.808 -11.654 1.00 0.00 N ATOM 1120 CA GLU A 76 3.290 -15.404 -10.977 1.00 0.00 C ATOM 1121 C GLU A 76 4.490 -14.456 -11.022 1.00 0.00 C ATOM 1122 O GLU A 76 5.594 -14.828 -10.628 1.00 0.00 O ATOM 1123 CB GLU A 76 3.640 -16.762 -11.587 1.00 0.00 C ATOM 1124 CG GLU A 76 2.389 -17.626 -11.759 1.00 0.00 C ATOM 1125 CD GLU A 76 2.726 -18.949 -12.450 1.00 0.00 C ATOM 1126 OE1 GLU A 76 3.286 -19.825 -11.756 1.00 0.00 O ATOM 1127 OE2 GLU A 76 2.416 -19.053 -13.656 1.00 0.00 O ATOM 0 H GLU A 76 2.007 -15.130 -12.611 1.00 0.00 H new ATOM 0 HA GLU A 76 3.022 -15.570 -9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.122 -16.617 -12.554 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.357 -17.277 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.943 -17.824 -10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.647 -17.084 -12.345 1.00 0.00 H new ATOM 1134 N ASP A 77 4.233 -13.250 -11.507 1.00 0.00 N ATOM 1135 CA ASP A 77 5.279 -12.246 -11.609 1.00 0.00 C ATOM 1136 C ASP A 77 5.335 -11.441 -10.310 1.00 0.00 C ATOM 1137 O ASP A 77 6.414 -11.197 -9.772 1.00 0.00 O ATOM 1138 CB ASP A 77 4.999 -11.274 -12.757 1.00 0.00 C ATOM 1139 CG ASP A 77 4.716 -11.933 -14.108 1.00 0.00 C ATOM 1140 OD1 ASP A 77 4.995 -13.147 -14.218 1.00 0.00 O ATOM 1141 OD2 ASP A 77 4.225 -11.209 -15.001 1.00 0.00 O ATOM 0 H ASP A 77 3.316 -12.945 -11.834 1.00 0.00 H new ATOM 0 HA ASP A 77 6.223 -12.759 -11.794 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.145 -10.653 -12.487 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.855 -10.609 -12.867 1.00 0.00 H new ATOM 1146 N VAL A 78 4.159 -11.048 -9.843 1.00 0.00 N ATOM 1147 CA VAL A 78 4.060 -10.275 -8.617 1.00 0.00 C ATOM 1148 C VAL A 78 4.596 -11.106 -7.450 1.00 0.00 C ATOM 1149 O VAL A 78 4.351 -12.309 -7.376 1.00 0.00 O ATOM 1150 CB VAL A 78 2.618 -9.810 -8.407 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.625 -10.901 -8.811 1.00 0.00 C ATOM 1152 CG2 VAL A 78 2.390 -9.369 -6.959 1.00 0.00 C ATOM 0 H VAL A 78 3.266 -11.251 -10.292 1.00 0.00 H new ATOM 0 HA VAL A 78 4.672 -9.375 -8.683 1.00 0.00 H new ATOM 0 HB VAL A 78 2.447 -8.947 -9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.608 -10.544 -8.652 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.763 -11.146 -9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.796 -11.791 -8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.357 -9.043 -6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.589 -10.205 -6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.061 -8.544 -6.720 1.00 0.00 H new ATOM 1162 N THR A 79 5.319 -10.432 -6.568 1.00 0.00 N ATOM 1163 CA THR A 79 5.892 -11.093 -5.408 1.00 0.00 C ATOM 1164 C THR A 79 5.125 -10.708 -4.141 1.00 0.00 C ATOM 1165 O THR A 79 5.220 -11.390 -3.122 1.00 0.00 O ATOM 1166 CB THR A 79 7.379 -10.740 -5.349 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.394 -9.320 -5.232 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.099 -11.012 -6.672 1.00 0.00 C ATOM 0 H THR A 79 5.521 -9.434 -6.633 1.00 0.00 H new ATOM 0 HA THR A 79 5.803 -12.177 -5.487 1.00 0.00 H new ATOM 0 HB THR A 79 7.856 -11.311 -4.552 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.965 -9.057 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.151 -10.744 -6.575 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.015 -12.070 -6.921 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.644 -10.416 -7.463 1.00 0.00 H new ATOM 1176 N HIS A 80 4.383 -9.616 -4.246 1.00 0.00 N ATOM 1177 CA HIS A 80 3.600 -9.131 -3.122 1.00 0.00 C ATOM 1178 C HIS A 80 2.247 -8.621 -3.621 1.00 0.00 C ATOM 1179 O HIS A 80 2.149 -8.085 -4.724 1.00 0.00 O ATOM 1180 CB HIS A 80 4.378 -8.076 -2.333 1.00 0.00 C ATOM 1181 CG HIS A 80 5.780 -8.497 -1.962 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.706 -8.927 -2.896 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.404 -8.547 -0.750 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.832 -9.222 -2.264 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.643 -8.986 -0.934 1.00 0.00 N ATOM 0 H HIS A 80 4.307 -9.053 -5.093 1.00 0.00 H new ATOM 0 HA HIS A 80 3.407 -9.949 -2.429 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.428 -7.160 -2.922 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.828 -7.839 -1.422 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.964 -8.275 0.198 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.740 -9.586 -2.721 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.339 -9.124 -0.201 1.00 0.00 H new ATOM 1193 N VAL A 81 1.236 -8.805 -2.784 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.107 -8.369 -3.126 1.00 0.00 C ATOM 1195 C VAL A 81 -0.591 -7.357 -2.085 1.00 0.00 C ATOM 1196 O VAL A 81 -0.737 -7.690 -0.910 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.033 -9.580 -3.256 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.502 -9.154 -3.226 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.719 -10.376 -4.524 1.00 0.00 C ATOM 0 H VAL A 81 1.320 -9.250 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.110 -7.868 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.856 -10.230 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.138 -10.034 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.716 -8.651 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.700 -8.473 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.391 -11.231 -4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.854 -9.738 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.312 -10.727 -4.487 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.826 -6.140 -2.555 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.290 -5.077 -1.680 1.00 0.00 C ATOM 1211 C ILE A 82 -2.815 -4.985 -1.760 1.00 0.00 C ATOM 1212 O ILE A 82 -3.360 -4.493 -2.747 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.577 -3.764 -2.008 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.942 -3.951 -2.015 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -1.012 -2.650 -1.054 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.535 -3.674 -0.633 1.00 0.00 C ATOM 0 H ILE A 82 -0.704 -5.867 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.038 -5.300 -0.643 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.869 -3.460 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.185 -4.968 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.391 -3.281 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.490 -1.728 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.087 -2.495 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.769 -2.933 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.615 -3.814 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.311 -2.648 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.102 -4.362 0.093 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.461 -5.468 -0.709 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.912 -5.446 -0.648 1.00 0.00 C ATOM 1230 C VAL A 83 -5.378 -4.078 -0.146 1.00 0.00 C ATOM 1231 O VAL A 83 -4.847 -3.559 0.835 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.417 -6.603 0.217 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.942 -6.710 0.154 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.758 -7.922 -0.193 1.00 0.00 C ATOM 0 H VAL A 83 -3.006 -5.877 0.107 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.337 -5.589 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.138 -6.395 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.275 -7.540 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.387 -5.783 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.252 -6.883 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.134 -8.728 0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.992 -8.137 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.678 -7.842 -0.073 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.364 -3.532 -0.842 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.907 -2.234 -0.479 1.00 0.00 C ATOM 1246 C GLY A 84 -8.290 -2.376 0.159 1.00 0.00 C ATOM 1247 O GLY A 84 -8.717 -1.513 0.924 1.00 0.00 O ATOM 0 H GLY A 84 -6.801 -3.965 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.232 -1.735 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.975 -1.604 -1.366 1.00 0.00 H new ATOM 1251 N ASP A 85 -8.952 -3.473 -0.180 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.278 -3.740 0.350 1.00 0.00 C ATOM 1253 C ASP A 85 -10.435 -5.243 0.587 1.00 0.00 C ATOM 1254 O ASP A 85 -10.868 -5.664 1.659 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.364 -3.301 -0.635 1.00 0.00 C ATOM 1256 CG ASP A 85 -12.670 -2.832 0.009 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -12.905 -3.230 1.171 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -13.404 -2.085 -0.674 1.00 0.00 O ATOM 0 H ASP A 85 -8.595 -4.187 -0.815 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.388 -3.182 1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.970 -2.493 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.585 -4.133 -1.304 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.074 -6.011 -0.430 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.169 -7.459 -0.346 1.00 0.00 C ATOM 1265 C TYR A 86 -9.351 -8.127 -1.452 1.00 0.00 C ATOM 1266 O TYR A 86 -9.334 -7.655 -2.588 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.648 -7.796 -0.546 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.310 -7.035 -1.696 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.123 -7.452 -2.998 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.094 -5.930 -1.431 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -12.746 -6.735 -4.080 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.717 -5.213 -2.513 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.512 -5.651 -3.784 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.101 -4.973 -4.807 1.00 0.00 O ATOM 0 H TYR A 86 -9.715 -5.658 -1.317 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.785 -7.815 0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.745 -8.866 -0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.187 -7.580 0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.509 -8.316 -3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.240 -5.603 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.608 -7.051 -5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.333 -4.347 -2.320 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.619 -4.223 -4.447 1.00 0.00 H new ATOM 1284 N ASP A 87 -8.693 -9.216 -1.082 1.00 0.00 N ATOM 1285 CA ASP A 87 -7.875 -9.954 -2.029 1.00 0.00 C ATOM 1286 C ASP A 87 -8.709 -11.075 -2.652 1.00 0.00 C ATOM 1287 O ASP A 87 -8.610 -12.230 -2.240 1.00 0.00 O ATOM 1288 CB ASP A 87 -6.669 -10.592 -1.335 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.991 -11.347 -0.044 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.432 -10.674 0.912 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -6.788 -12.581 -0.043 1.00 0.00 O ATOM 0 H ASP A 87 -8.710 -9.605 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.526 -9.255 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.191 -11.281 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.943 -9.811 -1.110 1.00 0.00 H new ATOM 1296 N ASP A 88 -9.513 -10.695 -3.634 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.364 -11.654 -4.317 1.00 0.00 C ATOM 1298 C ASP A 88 -9.640 -12.178 -5.559 1.00 0.00 C ATOM 1299 O ASP A 88 -9.506 -13.387 -5.740 1.00 0.00 O ATOM 1300 CB ASP A 88 -11.673 -11.004 -4.772 1.00 0.00 C ATOM 1301 CG ASP A 88 -12.808 -11.050 -3.747 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -12.932 -12.102 -3.085 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -13.526 -10.031 -3.649 1.00 0.00 O ATOM 0 H ASP A 88 -9.593 -9.736 -3.973 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.586 -12.463 -3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.475 -9.963 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.008 -11.497 -5.685 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.193 -11.241 -6.383 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.486 -11.593 -7.603 1.00 0.00 C ATOM 1310 C GLU A 89 -7.569 -12.793 -7.358 1.00 0.00 C ATOM 1311 O GLU A 89 -7.554 -13.738 -8.145 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.695 -10.400 -8.142 1.00 0.00 C ATOM 1313 CG GLU A 89 -8.067 -10.107 -9.597 1.00 0.00 C ATOM 1314 CD GLU A 89 -8.364 -8.619 -9.798 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -9.175 -8.090 -9.009 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -7.771 -8.045 -10.737 1.00 0.00 O ATOM 0 H GLU A 89 -9.307 -10.239 -6.230 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.221 -11.871 -8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.893 -9.521 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.627 -10.605 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.251 -10.411 -10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.939 -10.697 -9.879 1.00 0.00 H new ATOM 1323 N LEU A 90 -6.827 -12.716 -6.263 1.00 0.00 N ATOM 1324 CA LEU A 90 -5.910 -13.784 -5.904 1.00 0.00 C ATOM 1325 C LEU A 90 -6.627 -15.130 -6.027 1.00 0.00 C ATOM 1326 O LEU A 90 -6.120 -16.051 -6.666 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.309 -13.532 -4.519 1.00 0.00 C ATOM 1328 CG LEU A 90 -3.782 -13.566 -4.435 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.249 -12.359 -3.659 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.294 -14.889 -3.842 1.00 0.00 C ATOM 0 H LEU A 90 -6.842 -11.930 -5.613 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.066 -13.808 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.651 -12.558 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.708 -14.277 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.383 -13.501 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.161 -12.407 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.551 -11.441 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.655 -12.369 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.205 -14.886 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.701 -15.010 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.627 -15.715 -4.471 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.795 -15.201 -5.406 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.587 -16.418 -5.439 1.00 0.00 C ATOM 1344 C LYS A 91 -8.543 -17.013 -6.848 1.00 0.00 C ATOM 1345 O LYS A 91 -8.494 -18.231 -7.010 1.00 0.00 O ATOM 1346 CB LYS A 91 -10.004 -16.149 -4.929 1.00 0.00 C ATOM 1347 CG LYS A 91 -9.991 -15.773 -3.445 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.406 -15.791 -2.863 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.369 -15.759 -1.334 1.00 0.00 C ATOM 1350 NZ LYS A 91 -12.706 -16.065 -0.777 1.00 0.00 N ATOM 0 H LYS A 91 -8.212 -14.435 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.167 -17.164 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.456 -15.344 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.622 -17.034 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.359 -16.470 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.555 -14.782 -3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.967 -14.934 -3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.930 -16.686 -3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.641 -16.482 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.042 -14.777 -0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.664 -16.039 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.392 -15.359 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.003 -17.012 -1.088 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.563 -16.125 -7.831 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.526 -16.547 -9.221 1.00 0.00 C ATOM 1366 C GLN A 92 -7.127 -17.050 -9.586 1.00 0.00 C ATOM 1367 O GLN A 92 -6.986 -18.086 -10.234 1.00 0.00 O ATOM 1368 CB GLN A 92 -8.960 -15.412 -10.150 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.265 -14.777 -9.667 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.363 -14.908 -10.725 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -11.811 -13.940 -11.315 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -11.769 -16.158 -10.930 1.00 0.00 N ATOM 0 H GLN A 92 -8.604 -15.115 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.231 -17.368 -9.350 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.178 -14.654 -10.195 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.091 -15.795 -11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.587 -15.257 -8.743 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.099 -13.724 -9.439 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.351 -16.923 -10.401 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.498 -16.351 -11.616 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.130 -16.293 -9.154 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.748 -16.649 -9.427 1.00 0.00 C ATOM 1383 C PHE A 93 -4.353 -17.925 -8.682 1.00 0.00 C ATOM 1384 O PHE A 93 -3.355 -18.562 -9.019 1.00 0.00 O ATOM 1385 CB PHE A 93 -3.880 -15.492 -8.928 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.377 -15.773 -8.979 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.774 -16.029 -10.171 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.645 -15.769 -7.833 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.379 -16.290 -10.218 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.250 -16.030 -7.881 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.354 -16.285 -9.072 1.00 0.00 C ATOM 0 H PHE A 93 -6.251 -15.434 -8.617 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.614 -16.827 -10.494 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.094 -14.607 -9.527 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.161 -15.258 -7.901 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.356 -16.034 -11.081 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.125 -15.567 -6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.100 -16.493 -11.164 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.331 -16.026 -6.971 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.415 -16.483 -9.108 1.00 0.00 H new ATOM 1401 N TRP A 94 -5.156 -18.262 -7.683 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.903 -19.451 -6.888 1.00 0.00 C ATOM 1403 C TRP A 94 -5.486 -20.652 -7.634 1.00 0.00 C ATOM 1404 O TRP A 94 -5.078 -21.790 -7.402 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.466 -19.295 -5.474 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.481 -18.683 -4.476 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -3.143 -18.741 -4.496 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.814 -17.913 -3.301 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.590 -18.068 -3.426 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.639 -17.548 -2.675 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -6.066 -17.538 -2.784 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.600 -16.790 -1.499 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -6.010 -16.781 -1.608 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.836 -16.405 -0.966 1.00 0.00 C ATOM 0 H TRP A 94 -5.982 -17.732 -7.406 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.832 -19.608 -6.759 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.359 -18.671 -5.516 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.777 -20.273 -5.108 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.569 -19.251 -5.255 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.595 -17.970 -3.223 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.998 -17.812 -3.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.667 -16.517 -1.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.945 -16.467 -1.168 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.877 -15.818 -0.060 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.432 -20.359 -8.515 1.00 0.00 N ATOM 1426 CA ASN A 95 -7.075 -21.401 -9.297 1.00 0.00 C ATOM 1427 C ASN A 95 -6.379 -21.517 -10.654 1.00 0.00 C ATOM 1428 O ASN A 95 -6.825 -22.266 -11.522 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.548 -21.072 -9.547 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.459 -21.922 -8.658 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -9.591 -21.698 -7.466 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -10.077 -22.907 -9.303 1.00 0.00 N ATOM 0 H ASN A 95 -6.768 -19.415 -8.704 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.004 -22.334 -8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.726 -20.015 -9.351 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.791 -21.247 -10.595 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.707 -23.531 -8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.921 -23.039 -10.302 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.298 -20.765 -10.796 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.537 -20.774 -12.033 1.00 0.00 C ATOM 1441 C LYS A 96 -3.156 -21.382 -11.773 1.00 0.00 C ATOM 1442 O LYS A 96 -2.964 -22.586 -11.934 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.486 -19.371 -12.641 1.00 0.00 C ATOM 1444 CG LYS A 96 -5.892 -18.866 -12.972 1.00 0.00 C ATOM 1445 CD LYS A 96 -5.956 -18.317 -14.399 1.00 0.00 C ATOM 1446 CE LYS A 96 -7.358 -17.800 -14.725 1.00 0.00 C ATOM 1447 NZ LYS A 96 -8.298 -18.929 -14.906 1.00 0.00 N ATOM 0 H LYS A 96 -4.931 -20.145 -10.074 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.027 -21.401 -12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.004 -18.686 -11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.878 -19.385 -13.546 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.610 -19.678 -12.859 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.178 -18.087 -12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.231 -17.511 -14.515 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.679 -19.099 -15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.709 -17.152 -13.922 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.327 -17.196 -15.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.214 -18.568 -15.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.911 -19.595 -15.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.431 -19.419 -13.998 1.00 0.00 H new ATOM 1461 N SER A 97 -2.232 -20.520 -11.375 1.00 0.00 N ATOM 1462 CA SER A 97 -0.875 -20.957 -11.091 1.00 0.00 C ATOM 1463 C SER A 97 -0.715 -21.229 -9.594 1.00 0.00 C ATOM 1464 O SER A 97 -1.487 -20.722 -8.782 1.00 0.00 O ATOM 1465 CB SER A 97 0.147 -19.916 -11.553 1.00 0.00 C ATOM 1466 OG SER A 97 0.203 -19.817 -12.974 1.00 0.00 O ATOM 0 H SER A 97 -2.396 -19.522 -11.242 1.00 0.00 H new ATOM 0 HA SER A 97 -0.690 -21.878 -11.643 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.110 -18.944 -11.132 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.132 -20.180 -11.169 1.00 0.00 H new ATOM 0 HG SER A 97 1.090 -20.094 -13.287 1.00 0.00 H new ATOM 1472 N ALA A 98 0.291 -22.029 -9.275 1.00 0.00 N ATOM 1473 CA ALA A 98 0.562 -22.375 -7.889 1.00 0.00 C ATOM 1474 C ALA A 98 1.611 -21.415 -7.324 1.00 0.00 C ATOM 1475 O ALA A 98 2.808 -21.600 -7.541 1.00 0.00 O ATOM 1476 CB ALA A 98 1.005 -23.837 -7.805 1.00 0.00 C ATOM 0 H ALA A 98 0.929 -22.448 -9.952 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.339 -22.272 -7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.208 -24.096 -6.766 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.214 -24.480 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.909 -23.978 -8.398 1.00 0.00 H new ATOM 1482 N HIS A 99 1.124 -20.410 -6.611 1.00 0.00 N ATOM 1483 CA HIS A 99 2.004 -19.421 -6.013 1.00 0.00 C ATOM 1484 C HIS A 99 1.256 -18.666 -4.913 1.00 0.00 C ATOM 1485 O HIS A 99 0.084 -18.328 -5.074 1.00 0.00 O ATOM 1486 CB HIS A 99 2.582 -18.491 -7.082 1.00 0.00 C ATOM 1487 CG HIS A 99 3.395 -17.346 -6.527 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.626 -17.526 -5.920 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.141 -16.007 -6.493 1.00 0.00 C ATOM 1490 CE1 HIS A 99 5.082 -16.341 -5.541 1.00 0.00 C ATOM 1491 NE2 HIS A 99 4.160 -15.401 -5.897 1.00 0.00 N ATOM 0 H HIS A 99 0.131 -20.260 -6.434 1.00 0.00 H new ATOM 0 HA HIS A 99 2.855 -19.920 -5.549 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.209 -19.075 -7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.764 -18.087 -7.678 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.259 -15.522 -6.885 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.019 -16.153 -5.038 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.241 -14.398 -5.732 1.00 0.00 H new ATOM 1499 N ARG A 100 1.964 -18.423 -3.820 1.00 0.00 N ATOM 1500 CA ARG A 100 1.381 -17.714 -2.693 1.00 0.00 C ATOM 1501 C ARG A 100 2.131 -16.404 -2.445 1.00 0.00 C ATOM 1502 O ARG A 100 3.152 -16.389 -1.761 1.00 0.00 O ATOM 1503 CB ARG A 100 1.426 -18.567 -1.423 1.00 0.00 C ATOM 1504 CG ARG A 100 0.096 -18.498 -0.670 1.00 0.00 C ATOM 1505 CD ARG A 100 0.108 -17.368 0.362 1.00 0.00 C ATOM 1506 NE ARG A 100 0.144 -17.933 1.730 1.00 0.00 N ATOM 1507 CZ ARG A 100 0.490 -17.236 2.821 1.00 0.00 C ATOM 1508 NH1 ARG A 100 0.831 -15.945 2.712 1.00 0.00 N ATOM 1509 NH2 ARG A 100 0.494 -17.831 4.022 1.00 0.00 N ATOM 0 H ARG A 100 2.936 -18.704 -3.691 1.00 0.00 H new ATOM 0 HA ARG A 100 0.340 -17.501 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.648 -19.602 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.233 -18.221 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.719 -18.341 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.093 -19.449 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.975 -16.727 0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.777 -16.744 0.240 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.110 -18.914 1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.827 -15.492 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.094 -15.415 3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.234 -18.814 4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.757 -17.301 4.853 1.00 0.00 H new ATOM 1523 N PRO A 101 1.580 -15.307 -3.031 1.00 0.00 N ATOM 1524 CA PRO A 101 2.185 -13.995 -2.881 1.00 0.00 C ATOM 1525 C PRO A 101 1.921 -13.425 -1.486 1.00 0.00 C ATOM 1526 O PRO A 101 1.084 -13.943 -0.748 1.00 0.00 O ATOM 1527 CB PRO A 101 1.579 -13.152 -3.991 1.00 0.00 C ATOM 1528 CG PRO A 101 0.320 -13.883 -4.429 1.00 0.00 C ATOM 1529 CD PRO A 101 0.371 -15.287 -3.849 1.00 0.00 C ATOM 0 HA PRO A 101 3.271 -14.021 -2.967 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.344 -12.149 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.276 -13.041 -4.822 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.568 -13.357 -4.079 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.260 -13.921 -5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.515 -15.501 -3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.413 -16.039 -4.637 1.00 0.00 H new ATOM 1537 N HIS A 102 2.649 -12.366 -1.166 1.00 0.00 N ATOM 1538 CA HIS A 102 2.504 -11.720 0.128 1.00 0.00 C ATOM 1539 C HIS A 102 1.316 -10.756 0.089 1.00 0.00 C ATOM 1540 O HIS A 102 1.423 -9.656 -0.450 1.00 0.00 O ATOM 1541 CB HIS A 102 3.808 -11.038 0.544 1.00 0.00 C ATOM 1542 CG HIS A 102 5.026 -11.923 0.436 1.00 0.00 C ATOM 1543 ND1 HIS A 102 6.171 -11.780 -0.291 1.00 0.00 N flip ATOM 1544 CD2 HIS A 102 5.151 -13.115 1.129 1.00 0.00 C flip ATOM 1545 CE1 HIS A 102 6.953 -12.825 -0.054 1.00 0.00 C flip ATOM 1546 NE2 HIS A 102 6.322 -13.655 0.826 1.00 0.00 N flip ATOM 0 H HIS A 102 3.342 -11.938 -1.781 1.00 0.00 H new ATOM 0 HA HIS A 102 2.295 -12.469 0.892 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.958 -10.154 -0.076 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.713 -10.692 1.573 1.00 0.00 H new ATOM 0 HD2 HIS A 102 4.418 -13.534 1.803 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.929 -12.991 -0.486 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.688 -14.536 1.187 1.00 0.00 H new ATOM 1554 N VAL A 103 0.212 -11.205 0.668 1.00 0.00 N ATOM 1555 CA VAL A 103 -0.994 -10.396 0.707 1.00 0.00 C ATOM 1556 C VAL A 103 -0.954 -9.487 1.937 1.00 0.00 C ATOM 1557 O VAL A 103 -1.110 -9.955 3.064 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.230 -11.297 0.669 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.511 -10.467 0.567 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.138 -12.307 -0.476 1.00 0.00 C ATOM 0 H VAL A 103 0.128 -12.119 1.114 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.051 -9.752 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.266 -11.855 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.374 -11.132 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.587 -9.807 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.486 -9.870 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.029 -12.935 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.064 -11.776 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.255 -12.931 -0.340 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.745 -8.204 1.679 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.682 -7.226 2.751 1.00 0.00 C ATOM 1572 C VAL A 104 -1.447 -5.968 2.333 1.00 0.00 C ATOM 1573 O VAL A 104 -1.972 -5.897 1.223 1.00 0.00 O ATOM 1574 CB VAL A 104 0.776 -6.944 3.118 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.466 -8.209 3.633 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.536 -6.350 1.930 1.00 0.00 C ATOM 0 H VAL A 104 -0.617 -7.820 0.743 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.160 -7.614 3.650 1.00 0.00 H new ATOM 0 HB VAL A 104 0.783 -6.208 3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.501 -7.981 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.946 -8.572 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.443 -8.977 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.570 -6.159 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.515 -7.053 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.065 -5.415 1.628 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.486 -5.007 3.244 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.177 -3.756 2.984 1.00 0.00 C ATOM 1588 C GLY A 105 -1.187 -2.646 2.627 1.00 0.00 C ATOM 1589 O GLY A 105 -0.075 -2.608 3.152 1.00 0.00 O ATOM 0 H GLY A 105 -1.050 -5.070 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.887 -3.891 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.753 -3.465 3.862 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.626 -1.770 1.736 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.792 -0.662 1.302 1.00 0.00 C ATOM 1595 C ALA A 106 -0.077 -0.063 2.514 1.00 0.00 C ATOM 1596 O ALA A 106 1.055 0.407 2.402 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.653 0.367 0.565 1.00 0.00 C ATOM 0 H ALA A 106 -2.549 -1.805 1.302 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.028 -1.006 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.028 1.198 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.116 -0.101 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.430 0.738 1.234 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.766 -0.098 3.645 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.211 0.436 4.877 1.00 0.00 C ATOM 1605 C LYS A 107 1.250 -0.002 5.004 1.00 0.00 C ATOM 1606 O LYS A 107 2.120 0.809 5.317 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.078 0.038 6.073 1.00 0.00 C ATOM 1608 CG LYS A 107 -1.081 1.137 7.137 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.240 0.946 8.119 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.805 1.272 9.549 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.813 0.788 10.519 1.00 0.00 N ATOM 0 H LYS A 107 -1.704 -0.488 3.734 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.218 1.526 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.098 -0.153 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.704 -0.890 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.135 1.126 7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.163 2.112 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.073 1.588 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.598 -0.082 8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.840 0.809 9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.673 2.348 9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.503 1.017 11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.726 1.249 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.919 -0.242 10.424 1.00 0.00 H new ATOM 1625 N TRP A 108 1.474 -1.284 4.756 1.00 0.00 N ATOM 1626 CA TRP A 108 2.814 -1.839 4.839 1.00 0.00 C ATOM 1627 C TRP A 108 3.732 -0.995 3.952 1.00 0.00 C ATOM 1628 O TRP A 108 4.648 -0.341 4.446 1.00 0.00 O ATOM 1629 CB TRP A 108 2.817 -3.322 4.462 1.00 0.00 C ATOM 1630 CG TRP A 108 4.199 -3.869 4.098 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.171 -4.274 4.926 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.726 -4.055 2.767 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.282 -4.705 4.230 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.003 -4.568 2.876 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.144 -3.798 1.514 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.805 -4.868 1.768 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 4.959 -4.103 0.417 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.245 -4.621 0.509 1.00 0.00 C ATOM 0 H TRP A 108 0.750 -1.954 4.498 1.00 0.00 H new ATOM 0 HA TRP A 108 3.186 -1.798 5.863 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.417 -3.899 5.296 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.144 -3.473 3.618 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.095 -4.264 6.003 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.149 -5.059 4.635 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.147 -3.397 1.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.802 -5.268 1.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.560 -3.923 -0.570 1.00 0.00 H new ATOM 0 HH2 TRP A 108 6.810 -4.832 -0.387 1.00 0.00 H new ATOM 1649 N LEU A 109 3.453 -1.038 2.657 1.00 0.00 N ATOM 1650 CA LEU A 109 4.241 -0.285 1.697 1.00 0.00 C ATOM 1651 C LEU A 109 4.459 1.135 2.223 1.00 0.00 C ATOM 1652 O LEU A 109 5.595 1.592 2.337 1.00 0.00 O ATOM 1653 CB LEU A 109 3.591 -0.335 0.313 1.00 0.00 C ATOM 1654 CG LEU A 109 4.480 0.081 -0.861 1.00 0.00 C ATOM 1655 CD1 LEU A 109 5.745 -0.777 -0.922 1.00 0.00 C ATOM 1656 CD2 LEU A 109 3.701 0.046 -2.178 1.00 0.00 C ATOM 0 H LEU A 109 2.692 -1.583 2.251 1.00 0.00 H new ATOM 0 HA LEU A 109 5.226 -0.735 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.240 -1.351 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.712 0.309 0.323 1.00 0.00 H new ATOM 0 HG LEU A 109 4.797 1.112 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.359 -0.461 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.310 -0.659 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.469 -1.824 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.356 0.346 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.335 -0.965 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.856 0.732 -2.119 1.00 0.00 H new ATOM 1668 N LEU A 110 3.351 1.794 2.530 1.00 0.00 N ATOM 1669 CA LEU A 110 3.406 3.153 3.041 1.00 0.00 C ATOM 1670 C LEU A 110 4.533 3.261 4.070 1.00 0.00 C ATOM 1671 O LEU A 110 5.468 4.040 3.892 1.00 0.00 O ATOM 1672 CB LEU A 110 2.039 3.578 3.581 1.00 0.00 C ATOM 1673 CG LEU A 110 0.890 3.580 2.570 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.422 4.005 3.233 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.228 4.450 1.358 1.00 0.00 C ATOM 0 H LEU A 110 2.410 1.412 2.435 1.00 0.00 H new ATOM 0 HA LEU A 110 3.638 3.853 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.772 2.914 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.131 4.581 3.999 1.00 0.00 H new ATOM 0 HG LEU A 110 0.752 2.562 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.222 3.998 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.665 3.310 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.314 5.010 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.395 4.434 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.408 5.474 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.122 4.062 0.870 1.00 0.00 H new ATOM 1687 N GLU A 111 4.408 2.468 5.124 1.00 0.00 N ATOM 1688 CA GLU A 111 5.405 2.464 6.181 1.00 0.00 C ATOM 1689 C GLU A 111 6.800 2.238 5.594 1.00 0.00 C ATOM 1690 O GLU A 111 7.753 2.918 5.971 1.00 0.00 O ATOM 1691 CB GLU A 111 5.078 1.410 7.240 1.00 0.00 C ATOM 1692 CG GLU A 111 3.635 1.552 7.728 1.00 0.00 C ATOM 1693 CD GLU A 111 3.591 2.063 9.169 1.00 0.00 C ATOM 1694 OE1 GLU A 111 3.711 3.296 9.338 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.439 1.210 10.069 1.00 0.00 O ATOM 0 H GLU A 111 3.631 1.823 5.269 1.00 0.00 H new ATOM 0 HA GLU A 111 5.391 3.438 6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.229 0.413 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.762 1.511 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.094 2.239 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.129 0.588 7.665 1.00 0.00 H new ATOM 1702 N CYS A 112 6.875 1.280 4.682 1.00 0.00 N ATOM 1703 CA CYS A 112 8.137 0.956 4.039 1.00 0.00 C ATOM 1704 C CYS A 112 8.745 2.250 3.493 1.00 0.00 C ATOM 1705 O CYS A 112 9.884 2.587 3.810 1.00 0.00 O ATOM 1706 CB CYS A 112 7.960 -0.099 2.945 1.00 0.00 C ATOM 1707 SG CYS A 112 7.199 -1.607 3.646 1.00 0.00 S ATOM 0 H CYS A 112 6.082 0.718 4.373 1.00 0.00 H new ATOM 0 HA CYS A 112 8.817 0.517 4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.333 0.296 2.145 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.926 -0.341 2.503 1.00 0.00 H new ATOM 0 HG CYS A 112 6.122 -1.286 4.300 1.00 0.00 H new ATOM 1713 N PHE A 113 7.956 2.939 2.681 1.00 0.00 N ATOM 1714 CA PHE A 113 8.402 4.188 2.088 1.00 0.00 C ATOM 1715 C PHE A 113 8.558 5.276 3.152 1.00 0.00 C ATOM 1716 O PHE A 113 9.033 6.372 2.859 1.00 0.00 O ATOM 1717 CB PHE A 113 7.326 4.618 1.089 1.00 0.00 C ATOM 1718 CG PHE A 113 7.443 3.948 -0.281 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.449 4.299 -1.126 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.543 2.999 -0.653 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.559 3.677 -2.398 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.652 2.377 -1.925 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.658 2.729 -2.770 1.00 0.00 C ATOM 0 H PHE A 113 7.011 2.656 2.420 1.00 0.00 H new ATOM 0 HA PHE A 113 9.370 4.047 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.345 4.394 1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.377 5.699 0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.165 5.051 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.745 2.718 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.358 3.957 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.936 1.625 -2.221 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.741 2.255 -3.737 1.00 0.00 H new ATOM 1733 N SER A 114 8.149 4.935 4.365 1.00 0.00 N ATOM 1734 CA SER A 114 8.237 5.869 5.475 1.00 0.00 C ATOM 1735 C SER A 114 9.587 5.719 6.179 1.00 0.00 C ATOM 1736 O SER A 114 10.215 6.712 6.543 1.00 0.00 O ATOM 1737 CB SER A 114 7.093 5.654 6.468 1.00 0.00 C ATOM 1738 OG SER A 114 6.186 6.753 6.484 1.00 0.00 O ATOM 0 H SER A 114 7.756 4.025 4.604 1.00 0.00 H new ATOM 0 HA SER A 114 8.152 6.881 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.554 4.743 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.503 5.508 7.467 1.00 0.00 H new ATOM 0 HG SER A 114 5.671 6.740 7.318 1.00 0.00 H new ATOM 1744 N LYS A 115 9.994 4.470 6.350 1.00 0.00 N ATOM 1745 CA LYS A 115 11.258 4.177 7.004 1.00 0.00 C ATOM 1746 C LYS A 115 12.380 4.192 5.964 1.00 0.00 C ATOM 1747 O LYS A 115 13.538 4.441 6.299 1.00 0.00 O ATOM 1748 CB LYS A 115 11.164 2.867 7.789 1.00 0.00 C ATOM 1749 CG LYS A 115 10.105 2.962 8.889 1.00 0.00 C ATOM 1750 CD LYS A 115 8.724 2.574 8.355 1.00 0.00 C ATOM 1751 CE LYS A 115 7.890 1.890 9.440 1.00 0.00 C ATOM 1752 NZ LYS A 115 6.845 2.809 9.946 1.00 0.00 N ATOM 0 H LYS A 115 9.470 3.649 6.047 1.00 0.00 H new ATOM 0 HA LYS A 115 11.494 4.946 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.917 2.050 7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.133 2.633 8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.376 2.307 9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.074 3.978 9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.205 3.464 7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.835 1.906 7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.427 0.989 9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.536 1.577 10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.147 2.271 10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.282 3.532 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.371 3.271 9.144 1.00 0.00 H new ATOM 1766 N GLY A 116 11.999 3.922 4.724 1.00 0.00 N ATOM 1767 CA GLY A 116 12.959 3.901 3.634 1.00 0.00 C ATOM 1768 C GLY A 116 13.404 2.471 3.322 1.00 0.00 C ATOM 1769 O GLY A 116 14.083 2.232 2.325 1.00 0.00 O ATOM 0 H GLY A 116 11.038 3.716 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.515 4.349 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.826 4.506 3.897 1.00 0.00 H new ATOM 1773 N TYR A 117 13.001 1.557 4.193 1.00 0.00 N ATOM 1774 CA TYR A 117 13.349 0.157 4.022 1.00 0.00 C ATOM 1775 C TYR A 117 12.124 -0.740 4.210 1.00 0.00 C ATOM 1776 O TYR A 117 11.278 -0.471 5.062 1.00 0.00 O ATOM 1777 CB TYR A 117 14.370 -0.160 5.117 1.00 0.00 C ATOM 1778 CG TYR A 117 13.744 -0.544 6.459 1.00 0.00 C ATOM 1779 CD1 TYR A 117 13.101 0.411 7.220 1.00 0.00 C ATOM 1780 CD2 TYR A 117 13.822 -1.846 6.910 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.512 0.050 8.483 1.00 0.00 C ATOM 1782 CE2 TYR A 117 13.233 -2.208 8.173 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.607 -1.242 8.897 1.00 0.00 C ATOM 1784 OH TYR A 117 12.051 -1.584 10.090 1.00 0.00 O ATOM 0 H TYR A 117 12.437 1.759 5.019 1.00 0.00 H new ATOM 0 HA TYR A 117 13.740 -0.021 3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 117 15.009 -0.976 4.779 1.00 0.00 H new ATOM 0 HB3 TYR A 117 15.013 0.708 5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 117 13.040 1.430 6.868 1.00 0.00 H new ATOM 0 HD2 TYR A 117 14.325 -2.594 6.315 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.006 0.788 9.088 1.00 0.00 H new ATOM 0 HE2 TYR A 117 13.287 -3.223 8.537 1.00 0.00 H new ATOM 0 HH TYR A 117 12.195 -2.539 10.256 1.00 0.00 H new ATOM 1794 N MET A 118 12.067 -1.786 3.399 1.00 0.00 N ATOM 1795 CA MET A 118 10.958 -2.724 3.465 1.00 0.00 C ATOM 1796 C MET A 118 10.838 -3.333 4.863 1.00 0.00 C ATOM 1797 O MET A 118 11.845 -3.605 5.515 1.00 0.00 O ATOM 1798 CB MET A 118 11.171 -3.838 2.438 1.00 0.00 C ATOM 1799 CG MET A 118 10.950 -3.322 1.015 1.00 0.00 C ATOM 1800 SD MET A 118 11.607 -4.488 -0.166 1.00 0.00 S ATOM 1801 CE MET A 118 10.233 -5.622 -0.279 1.00 0.00 C ATOM 0 H MET A 118 12.770 -2.005 2.693 1.00 0.00 H new ATOM 0 HA MET A 118 10.036 -2.186 3.244 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.182 -4.235 2.532 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.485 -4.660 2.641 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.886 -3.171 0.835 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.435 -2.354 0.891 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.476 -6.420 -0.981 1.00 0.00 H new ATOM 0 HE2 MET A 118 10.034 -6.051 0.703 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.349 -5.089 -0.628 1.00 0.00 H new ATOM 1811 N LEU A 119 9.597 -3.530 5.283 1.00 0.00 N ATOM 1812 CA LEU A 119 9.332 -4.103 6.592 1.00 0.00 C ATOM 1813 C LEU A 119 8.656 -5.465 6.421 1.00 0.00 C ATOM 1814 O LEU A 119 8.360 -5.878 5.301 1.00 0.00 O ATOM 1815 CB LEU A 119 8.532 -3.123 7.453 1.00 0.00 C ATOM 1816 CG LEU A 119 8.769 -1.637 7.175 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.509 -0.818 7.461 1.00 0.00 C ATOM 1818 CD2 LEU A 119 9.979 -1.119 7.955 1.00 0.00 C ATOM 0 H LEU A 119 8.764 -3.303 4.740 1.00 0.00 H new ATOM 0 HA LEU A 119 10.265 -4.275 7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.471 -3.333 7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.764 -3.318 8.500 1.00 0.00 H new ATOM 0 HG LEU A 119 8.995 -1.520 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.705 0.234 7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.696 -1.167 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.227 -0.937 8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.125 -0.061 7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.807 -1.251 9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.868 -1.676 7.659 1.00 0.00 H new ATOM 1830 N SER A 120 8.431 -6.124 7.548 1.00 0.00 N ATOM 1831 CA SER A 120 7.795 -7.430 7.537 1.00 0.00 C ATOM 1832 C SER A 120 6.369 -7.314 6.994 1.00 0.00 C ATOM 1833 O SER A 120 5.675 -6.336 7.268 1.00 0.00 O ATOM 1834 CB SER A 120 7.781 -8.048 8.937 1.00 0.00 C ATOM 1835 OG SER A 120 9.097 -8.274 9.433 1.00 0.00 O ATOM 0 H SER A 120 8.678 -5.778 8.475 1.00 0.00 H new ATOM 0 HA SER A 120 8.373 -8.086 6.885 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.245 -7.388 9.619 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.236 -8.992 8.911 1.00 0.00 H new ATOM 0 HG SER A 120 9.046 -8.667 10.329 1.00 0.00 H new ATOM 1841 N GLU A 121 5.975 -8.325 6.235 1.00 0.00 N ATOM 1842 CA GLU A 121 4.644 -8.348 5.651 1.00 0.00 C ATOM 1843 C GLU A 121 3.694 -9.165 6.529 1.00 0.00 C ATOM 1844 O GLU A 121 2.480 -9.130 6.335 1.00 0.00 O ATOM 1845 CB GLU A 121 4.681 -8.899 4.224 1.00 0.00 C ATOM 1846 CG GLU A 121 5.314 -7.890 3.264 1.00 0.00 C ATOM 1847 CD GLU A 121 6.505 -8.506 2.527 1.00 0.00 C ATOM 1848 OE1 GLU A 121 6.458 -9.735 2.301 1.00 0.00 O ATOM 1849 OE2 GLU A 121 7.434 -7.735 2.206 1.00 0.00 O ATOM 0 H GLU A 121 6.553 -9.135 6.010 1.00 0.00 H new ATOM 0 HA GLU A 121 4.272 -7.325 5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.247 -9.830 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.669 -9.134 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.570 -7.553 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.641 -7.010 3.819 1.00 0.00 H new ATOM 1856 N GLU A 122 4.282 -9.881 7.476 1.00 0.00 N ATOM 1857 CA GLU A 122 3.503 -10.705 8.385 1.00 0.00 C ATOM 1858 C GLU A 122 2.624 -9.826 9.277 1.00 0.00 C ATOM 1859 O GLU A 122 1.451 -10.129 9.492 1.00 0.00 O ATOM 1860 CB GLU A 122 4.411 -11.604 9.225 1.00 0.00 C ATOM 1861 CG GLU A 122 4.803 -12.864 8.451 1.00 0.00 C ATOM 1862 CD GLU A 122 5.357 -13.936 9.392 1.00 0.00 C ATOM 1863 OE1 GLU A 122 6.310 -13.606 10.130 1.00 0.00 O ATOM 1864 OE2 GLU A 122 4.814 -15.061 9.352 1.00 0.00 O ATOM 0 H GLU A 122 5.289 -9.908 7.634 1.00 0.00 H new ATOM 0 HA GLU A 122 2.855 -11.351 7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.308 -11.055 9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.900 -11.883 10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.934 -13.254 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.551 -12.615 7.698 1.00 0.00 H new ATOM 1871 N PRO A 123 3.241 -8.725 9.786 1.00 0.00 N ATOM 1872 CA PRO A 123 2.527 -7.800 10.650 1.00 0.00 C ATOM 1873 C PRO A 123 1.563 -6.929 9.843 1.00 0.00 C ATOM 1874 O PRO A 123 0.908 -6.046 10.395 1.00 0.00 O ATOM 1875 CB PRO A 123 3.613 -6.996 11.346 1.00 0.00 C ATOM 1876 CG PRO A 123 4.868 -7.177 10.509 1.00 0.00 C ATOM 1877 CD PRO A 123 4.628 -8.334 9.553 1.00 0.00 C ATOM 0 HA PRO A 123 1.895 -8.307 11.379 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.337 -5.944 11.413 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.769 -7.350 12.365 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.093 -6.265 9.956 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.727 -7.382 11.148 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.786 -8.032 8.518 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.311 -9.160 9.751 1.00 0.00 H new ATOM 1885 N TYR A 124 1.505 -7.208 8.549 1.00 0.00 N ATOM 1886 CA TYR A 124 0.631 -6.461 7.661 1.00 0.00 C ATOM 1887 C TYR A 124 -0.124 -7.400 6.717 1.00 0.00 C ATOM 1888 O TYR A 124 -0.367 -7.059 5.560 1.00 0.00 O ATOM 1889 CB TYR A 124 1.545 -5.554 6.835 1.00 0.00 C ATOM 1890 CG TYR A 124 2.119 -4.371 7.618 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.404 -3.194 7.713 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.351 -4.481 8.229 1.00 0.00 C ATOM 1893 CE1 TYR A 124 1.944 -2.081 8.449 1.00 0.00 C ATOM 1894 CE2 TYR A 124 3.891 -3.367 8.966 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.161 -2.223 9.040 1.00 0.00 C ATOM 1896 OH TYR A 124 3.671 -1.171 9.735 1.00 0.00 O ATOM 0 H TYR A 124 2.049 -7.941 8.094 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.109 -5.901 8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.368 -6.148 6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.986 -5.174 5.980 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.439 -3.108 7.235 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.910 -5.402 8.155 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.395 -1.154 8.530 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.854 -3.439 9.449 1.00 0.00 H new ATOM 0 HH TYR A 124 3.106 -0.382 9.596 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.473 -8.563 7.245 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.195 -9.553 6.464 1.00 0.00 C ATOM 1908 C ILE A 125 -2.682 -9.194 6.442 1.00 0.00 C ATOM 1909 O ILE A 125 -3.223 -8.714 7.437 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.911 -10.962 6.990 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.589 -11.263 6.968 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.717 -12.008 6.219 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.074 -11.531 5.541 1.00 0.00 C ATOM 0 H ILE A 125 -0.269 -8.843 8.205 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.850 -9.548 5.430 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.234 -11.010 8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.139 -10.422 7.391 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.799 -12.129 7.596 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.496 -13.000 6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.781 -11.802 6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.448 -11.969 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.143 -11.742 5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.540 -12.388 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.885 -10.654 4.922 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.301 -9.440 5.297 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.714 -9.149 5.132 1.00 0.00 C ATOM 1927 C HIS A 126 -5.495 -10.457 4.988 1.00 0.00 C ATOM 1928 O HIS A 126 -5.415 -11.121 3.956 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.939 -8.193 3.959 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.287 -7.512 3.970 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -7.441 -7.810 3.307 1.00 0.00 N flip ATOM 1932 CD2 HIS A 126 -6.552 -6.386 4.730 1.00 0.00 C flip ATOM 1933 CE1 HIS A 126 -8.361 -6.915 3.644 1.00 0.00 C flip ATOM 1934 NE2 HIS A 126 -7.812 -6.031 4.526 1.00 0.00 N flip ATOM 0 H HIS A 126 -2.849 -9.838 4.474 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.089 -8.638 6.019 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.159 -7.432 3.970 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.831 -8.747 3.027 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -5.851 -5.882 5.379 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -9.377 -6.891 3.280 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -8.288 -5.236 4.953 1.00 0.00 H new ATOM 1942 N SER A 127 -6.232 -10.787 6.039 1.00 0.00 N ATOM 1943 CA SER A 127 -7.026 -12.004 6.043 1.00 0.00 C ATOM 1944 C SER A 127 -8.426 -11.717 5.496 1.00 0.00 C ATOM 1945 O SER A 127 -8.819 -10.559 5.363 1.00 0.00 O ATOM 1946 CB SER A 127 -7.117 -12.597 7.450 1.00 0.00 C ATOM 1947 OG SER A 127 -7.708 -13.894 7.445 1.00 0.00 O ATOM 0 H SER A 127 -6.296 -10.233 6.893 1.00 0.00 H new ATOM 0 HA SER A 127 -6.535 -12.735 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.119 -12.655 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.703 -11.934 8.086 1.00 0.00 H new ATOM 0 HG SER A 127 -7.747 -14.239 8.361 1.00 0.00 H new