USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 693 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 69 GLN : amide:sc= -2.3! C(o=-3.2!,f=-10!) USER MOD Set 1.2: A 78 MET CE :methyl 166:sc= -0.848 (180deg=-1.73!) USER MOD Set 2.1: A 68 CYS SG : rot 111:sc= 1.12 USER MOD Set 2.2: A 75 TYR OH : rot 165:sc= 0.988 USER MOD Set 3.1: A 45 ASN : amide:sc= -0.26 K(o=-0.26,f=-2.3!) USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.48 K(o=-2.5,f=-16!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 165:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 36 THR OG1 : rot 126:sc= 0.00853 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -37:sc= 1.01 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 170:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 162:sc= -0.297 (180deg=-1.16) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.453 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 31:sc= 0.948 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.765 K(o=-0.76,f=-2.9!) USER MOD Single : A 87 TYR OH : rot 22:sc= -0.189 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 165:sc= -0.4 USER MOD Single : A 97 ASN : amide:sc= -0.0165 K(o=-0.016,f=-1.2) USER MOD Single : A 98 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.43) USER MOD Single : A 102 SER OG : rot -159:sc= -0.93 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 3.381 18.026 -1.558 1.00 0.00 N ATOM 242 CA ASN A 20 2.469 17.777 -0.448 1.00 0.00 C ATOM 243 C ASN A 20 1.915 16.356 -0.507 1.00 0.00 C ATOM 244 O ASN A 20 1.323 15.935 -1.501 1.00 0.00 O ATOM 245 CB ASN A 20 1.319 18.785 -0.468 1.00 0.00 C ATOM 246 CG ASN A 20 0.281 18.501 0.600 1.00 0.00 C ATOM 247 OD1 ASN A 20 0.442 17.589 1.411 1.00 0.00 O ATOM 248 ND2 ASN A 20 -0.792 19.284 0.606 1.00 0.00 N ATOM 0 HA ASN A 20 3.028 17.893 0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.718 19.789 -0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.842 18.768 -1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.524 19.141 1.302 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.884 20.028 -0.085 1.00 0.00 H new ATOM 255 N PRO A 21 2.110 15.599 0.583 1.00 0.00 N ATOM 256 CA PRO A 21 1.637 14.215 0.680 1.00 0.00 C ATOM 257 C PRO A 21 0.118 14.127 0.771 1.00 0.00 C ATOM 258 O PRO A 21 -0.505 13.293 0.115 1.00 0.00 O ATOM 259 CB PRO A 21 2.281 13.711 1.974 1.00 0.00 C ATOM 260 CG PRO A 21 2.509 14.938 2.787 1.00 0.00 C ATOM 261 CD PRO A 21 2.808 16.036 1.804 1.00 0.00 C ATOM 0 HA PRO A 21 1.903 13.630 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.629 13.008 2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.217 13.190 1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.630 15.179 3.385 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.338 14.798 3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.440 17.000 2.154 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.880 16.145 1.637 1.00 0.00 H new ATOM 269 N ALA A 22 -0.473 14.992 1.589 1.00 0.00 N ATOM 270 CA ALA A 22 -1.920 15.013 1.763 1.00 0.00 C ATOM 271 C ALA A 22 -2.636 14.904 0.421 1.00 0.00 C ATOM 272 O ALA A 22 -3.551 14.095 0.259 1.00 0.00 O ATOM 273 CB ALA A 22 -2.345 16.281 2.489 1.00 0.00 C ATOM 0 H ALA A 22 0.028 15.687 2.142 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.202 14.150 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.428 16.284 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.868 16.317 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.044 17.152 1.907 1.00 0.00 H new ATOM 279 N LEU A 23 -2.215 15.722 -0.537 1.00 0.00 N ATOM 280 CA LEU A 23 -2.818 15.717 -1.866 1.00 0.00 C ATOM 281 C LEU A 23 -2.720 14.335 -2.503 1.00 0.00 C ATOM 282 O LEU A 23 -3.697 13.820 -3.046 1.00 0.00 O ATOM 283 CB LEU A 23 -2.135 16.754 -2.760 1.00 0.00 C ATOM 284 CG LEU A 23 -2.503 18.214 -2.497 1.00 0.00 C ATOM 285 CD1 LEU A 23 -1.559 19.145 -3.242 1.00 0.00 C ATOM 286 CD2 LEU A 23 -3.946 18.482 -2.898 1.00 0.00 C ATOM 0 H LEU A 23 -1.459 16.397 -0.419 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.872 15.974 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.056 16.646 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.372 16.522 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.403 18.407 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.836 20.180 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.537 18.972 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.626 18.951 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.190 19.526 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.074 18.271 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.610 17.841 -2.318 1.00 0.00 H new ATOM 298 N VAL A 24 -1.534 13.739 -2.431 1.00 0.00 N ATOM 299 CA VAL A 24 -1.309 12.414 -2.998 1.00 0.00 C ATOM 300 C VAL A 24 -2.400 11.440 -2.569 1.00 0.00 C ATOM 301 O VAL A 24 -2.742 11.355 -1.390 1.00 0.00 O ATOM 302 CB VAL A 24 0.062 11.850 -2.579 1.00 0.00 C ATOM 303 CG1 VAL A 24 0.232 10.427 -3.090 1.00 0.00 C ATOM 304 CG2 VAL A 24 1.183 12.745 -3.085 1.00 0.00 C ATOM 0 H VAL A 24 -0.714 14.152 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.332 12.525 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 24 0.110 11.828 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.206 10.045 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.553 9.795 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.164 10.421 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.144 12.332 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.141 12.801 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.068 13.744 -2.665 1.00 0.00 H new ATOM 314 N SER A 25 -2.944 10.706 -3.535 1.00 0.00 N ATOM 315 CA SER A 25 -4.000 9.739 -3.258 1.00 0.00 C ATOM 316 C SER A 25 -3.680 8.389 -3.893 1.00 0.00 C ATOM 317 O SER A 25 -2.778 8.280 -4.723 1.00 0.00 O ATOM 318 CB SER A 25 -5.343 10.256 -3.778 1.00 0.00 C ATOM 319 OG SER A 25 -5.466 11.652 -3.574 1.00 0.00 O ATOM 0 H SER A 25 -2.671 10.763 -4.516 1.00 0.00 H new ATOM 0 HA SER A 25 -4.064 9.606 -2.178 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.436 10.031 -4.841 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.157 9.738 -3.270 1.00 0.00 H new ATOM 0 HG SER A 25 -6.332 11.958 -3.916 1.00 0.00 H new ATOM 325 N ALA A 26 -4.427 7.365 -3.497 1.00 0.00 N ATOM 326 CA ALA A 26 -4.226 6.022 -4.028 1.00 0.00 C ATOM 327 C ALA A 26 -5.559 5.317 -4.256 1.00 0.00 C ATOM 328 O ALA A 26 -6.436 5.332 -3.392 1.00 0.00 O ATOM 329 CB ALA A 26 -3.350 5.208 -3.087 1.00 0.00 C ATOM 0 H ALA A 26 -5.177 7.439 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.722 6.110 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.208 4.208 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.381 5.696 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.832 5.136 -2.112 1.00 0.00 H new ATOM 335 N TYR A 27 -5.704 4.700 -5.423 1.00 0.00 N ATOM 336 CA TYR A 27 -6.931 3.991 -5.766 1.00 0.00 C ATOM 337 C TYR A 27 -6.662 2.903 -6.800 1.00 0.00 C ATOM 338 O TYR A 27 -5.664 2.947 -7.519 1.00 0.00 O ATOM 339 CB TYR A 27 -7.978 4.970 -6.300 1.00 0.00 C ATOM 340 CG TYR A 27 -7.437 5.930 -7.336 1.00 0.00 C ATOM 341 CD1 TYR A 27 -7.398 5.583 -8.681 1.00 0.00 C ATOM 342 CD2 TYR A 27 -6.965 7.184 -6.969 1.00 0.00 C ATOM 343 CE1 TYR A 27 -6.903 6.456 -9.630 1.00 0.00 C ATOM 344 CE2 TYR A 27 -6.470 8.065 -7.912 1.00 0.00 C ATOM 345 CZ TYR A 27 -6.441 7.696 -9.241 1.00 0.00 C ATOM 346 OH TYR A 27 -5.948 8.569 -10.183 1.00 0.00 O ATOM 0 H TYR A 27 -4.987 4.676 -6.148 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.312 3.519 -4.860 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.802 4.405 -6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.388 5.541 -5.467 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.761 4.614 -8.990 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.985 7.475 -5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.878 6.169 -10.671 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.108 9.037 -7.610 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.889 9.468 -9.797 1.00 0.00 H new ATOM 356 N GLY A 28 -7.560 1.925 -6.870 1.00 0.00 N ATOM 357 CA GLY A 28 -7.402 0.838 -7.819 1.00 0.00 C ATOM 358 C GLY A 28 -8.070 -0.440 -7.353 1.00 0.00 C ATOM 359 O GLY A 28 -9.071 -0.402 -6.636 1.00 0.00 O ATOM 0 H GLY A 28 -8.394 1.866 -6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.823 1.135 -8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.340 0.652 -7.980 1.00 0.00 H new ATOM 363 N THR A 29 -7.517 -1.578 -7.761 1.00 0.00 N ATOM 364 CA THR A 29 -8.067 -2.874 -7.383 1.00 0.00 C ATOM 365 C THR A 29 -7.192 -3.559 -6.340 1.00 0.00 C ATOM 366 O THR A 29 -7.682 -4.327 -5.513 1.00 0.00 O ATOM 367 CB THR A 29 -8.211 -3.800 -8.605 1.00 0.00 C ATOM 368 OG1 THR A 29 -8.952 -3.140 -9.637 1.00 0.00 O ATOM 369 CG2 THR A 29 -8.909 -5.096 -8.222 1.00 0.00 C ATOM 0 H THR A 29 -6.688 -1.628 -8.353 1.00 0.00 H new ATOM 0 HA THR A 29 -9.054 -2.688 -6.959 1.00 0.00 H new ATOM 0 HB THR A 29 -7.213 -4.038 -8.972 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.037 -3.736 -10.411 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.999 -5.734 -9.101 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.326 -5.611 -7.458 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.902 -4.873 -7.832 1.00 0.00 H new ATOM 377 N GLY A 30 -5.894 -3.275 -6.384 1.00 0.00 N ATOM 378 CA GLY A 30 -4.972 -3.873 -5.436 1.00 0.00 C ATOM 379 C GLY A 30 -5.328 -3.551 -3.998 1.00 0.00 C ATOM 380 O GLY A 30 -5.215 -4.404 -3.117 1.00 0.00 O ATOM 0 H GLY A 30 -5.465 -2.642 -7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.967 -4.954 -5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.962 -3.520 -5.645 1.00 0.00 H new ATOM 384 N LEU A 31 -5.759 -2.317 -3.759 1.00 0.00 N ATOM 385 CA LEU A 31 -6.132 -1.884 -2.417 1.00 0.00 C ATOM 386 C LEU A 31 -7.495 -2.444 -2.023 1.00 0.00 C ATOM 387 O LEU A 31 -7.750 -2.714 -0.850 1.00 0.00 O ATOM 388 CB LEU A 31 -6.155 -0.356 -2.341 1.00 0.00 C ATOM 389 CG LEU A 31 -4.811 0.346 -2.541 1.00 0.00 C ATOM 390 CD1 LEU A 31 -5.019 1.823 -2.835 1.00 0.00 C ATOM 391 CD2 LEU A 31 -3.927 0.163 -1.316 1.00 0.00 C ATOM 0 H LEU A 31 -5.859 -1.599 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.387 -2.266 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.851 0.015 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.552 -0.066 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.310 -0.106 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.052 2.306 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.614 1.933 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.541 2.290 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.975 0.669 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.422 0.589 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.750 -0.900 -1.151 1.00 0.00 H new ATOM 403 N GLU A 32 -8.366 -2.618 -3.012 1.00 0.00 N ATOM 404 CA GLU A 32 -9.703 -3.148 -2.768 1.00 0.00 C ATOM 405 C GLU A 32 -9.639 -4.415 -1.920 1.00 0.00 C ATOM 406 O GLU A 32 -10.499 -4.652 -1.073 1.00 0.00 O ATOM 407 CB GLU A 32 -10.408 -3.443 -4.093 1.00 0.00 C ATOM 408 CG GLU A 32 -10.763 -2.195 -4.885 1.00 0.00 C ATOM 409 CD GLU A 32 -12.023 -1.521 -4.377 1.00 0.00 C ATOM 410 OE1 GLU A 32 -11.976 -0.922 -3.283 1.00 0.00 O ATOM 411 OE2 GLU A 32 -13.056 -1.592 -5.075 1.00 0.00 O ATOM 0 H GLU A 32 -8.170 -2.400 -3.989 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.271 -2.395 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.766 -4.080 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.319 -4.007 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.933 -1.490 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.895 -2.460 -5.934 1.00 0.00 H new ATOM 418 N GLY A 33 -8.613 -5.227 -2.156 1.00 0.00 N ATOM 419 CA GLY A 33 -8.456 -6.461 -1.408 1.00 0.00 C ATOM 420 C GLY A 33 -7.279 -7.285 -1.889 1.00 0.00 C ATOM 421 O GLY A 33 -6.520 -6.850 -2.755 1.00 0.00 O ATOM 0 H GLY A 33 -7.888 -5.052 -2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.324 -6.227 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.368 -7.052 -1.493 1.00 0.00 H new ATOM 425 N GLY A 34 -7.125 -8.480 -1.326 1.00 0.00 N ATOM 426 CA GLY A 34 -6.028 -9.347 -1.715 1.00 0.00 C ATOM 427 C GLY A 34 -6.494 -10.545 -2.519 1.00 0.00 C ATOM 428 O GLY A 34 -7.058 -11.491 -1.969 1.00 0.00 O ATOM 0 H GLY A 34 -7.740 -8.863 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.309 -8.776 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.508 -9.693 -0.822 1.00 0.00 H new ATOM 432 N THR A 35 -6.259 -10.506 -3.827 1.00 0.00 N ATOM 433 CA THR A 35 -6.660 -11.594 -4.709 1.00 0.00 C ATOM 434 C THR A 35 -5.468 -12.467 -5.083 1.00 0.00 C ATOM 435 O THR A 35 -4.615 -12.066 -5.876 1.00 0.00 O ATOM 436 CB THR A 35 -7.315 -11.061 -5.997 1.00 0.00 C ATOM 437 OG1 THR A 35 -6.758 -9.787 -6.340 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.821 -10.931 -5.824 1.00 0.00 C ATOM 0 H THR A 35 -5.792 -9.731 -4.299 1.00 0.00 H new ATOM 0 HA THR A 35 -7.388 -12.193 -4.161 1.00 0.00 H new ATOM 0 HB THR A 35 -7.117 -11.771 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 35 -7.179 -9.456 -7.161 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.262 -10.553 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.246 -11.907 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.035 -10.239 -5.009 1.00 0.00 H new ATOM 446 N THR A 36 -5.413 -13.664 -4.508 1.00 0.00 N ATOM 447 CA THR A 36 -4.324 -14.594 -4.781 1.00 0.00 C ATOM 448 C THR A 36 -4.486 -15.243 -6.151 1.00 0.00 C ATOM 449 O THR A 36 -5.530 -15.817 -6.458 1.00 0.00 O ATOM 450 CB THR A 36 -4.247 -15.698 -3.709 1.00 0.00 C ATOM 451 OG1 THR A 36 -4.717 -15.195 -2.453 1.00 0.00 O ATOM 452 CG2 THR A 36 -2.820 -16.204 -3.556 1.00 0.00 C ATOM 0 H THR A 36 -6.110 -14.013 -3.850 1.00 0.00 H new ATOM 0 HA THR A 36 -3.401 -14.015 -4.763 1.00 0.00 H new ATOM 0 HB THR A 36 -4.878 -16.528 -4.027 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.430 -15.776 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.790 -16.983 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.475 -16.612 -4.506 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.172 -15.380 -3.258 1.00 0.00 H new ATOM 460 N GLY A 37 -3.444 -15.149 -6.971 1.00 0.00 N ATOM 461 CA GLY A 37 -3.491 -15.732 -8.299 1.00 0.00 C ATOM 462 C GLY A 37 -3.678 -14.690 -9.384 1.00 0.00 C ATOM 463 O GLY A 37 -3.270 -14.895 -10.528 1.00 0.00 O ATOM 0 H GLY A 37 -2.568 -14.680 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.568 -16.282 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.307 -16.453 -8.347 1.00 0.00 H new ATOM 467 N ILE A 38 -4.297 -13.570 -9.026 1.00 0.00 N ATOM 468 CA ILE A 38 -4.538 -12.493 -9.978 1.00 0.00 C ATOM 469 C ILE A 38 -3.564 -11.340 -9.760 1.00 0.00 C ATOM 470 O ILE A 38 -2.950 -11.226 -8.700 1.00 0.00 O ATOM 471 CB ILE A 38 -5.979 -11.960 -9.872 1.00 0.00 C ATOM 472 CG1 ILE A 38 -6.971 -13.122 -9.793 1.00 0.00 C ATOM 473 CG2 ILE A 38 -6.299 -11.063 -11.058 1.00 0.00 C ATOM 474 CD1 ILE A 38 -8.366 -12.699 -9.390 1.00 0.00 C ATOM 0 H ILE A 38 -4.641 -13.385 -8.084 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.387 -12.911 -10.973 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.067 -11.370 -8.960 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.016 -13.617 -10.763 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.602 -13.856 -9.077 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.321 -10.694 -10.970 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.608 -10.220 -11.073 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.198 -11.632 -11.982 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.015 -13.574 -9.354 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.334 -12.230 -8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.755 -11.988 -10.118 1.00 0.00 H new ATOM 486 N GLN A 39 -3.430 -10.487 -10.771 1.00 0.00 N ATOM 487 CA GLN A 39 -2.532 -9.341 -10.689 1.00 0.00 C ATOM 488 C GLN A 39 -3.318 -8.040 -10.566 1.00 0.00 C ATOM 489 O GLN A 39 -4.104 -7.693 -11.448 1.00 0.00 O ATOM 490 CB GLN A 39 -1.625 -9.289 -11.920 1.00 0.00 C ATOM 491 CG GLN A 39 -1.044 -7.910 -12.189 1.00 0.00 C ATOM 492 CD GLN A 39 -0.072 -7.903 -13.353 1.00 0.00 C ATOM 493 OE1 GLN A 39 -0.438 -7.568 -14.480 1.00 0.00 O ATOM 494 NE2 GLN A 39 1.174 -8.274 -13.085 1.00 0.00 N ATOM 0 H GLN A 39 -3.931 -10.568 -11.656 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.916 -9.457 -9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.808 -9.999 -11.790 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.192 -9.612 -12.793 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.855 -7.212 -12.394 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.535 -7.553 -11.293 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.433 -8.544 -12.136 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.873 -8.289 -13.828 1.00 0.00 H new ATOM 503 N SER A 40 -3.102 -7.325 -9.467 1.00 0.00 N ATOM 504 CA SER A 40 -3.794 -6.064 -9.227 1.00 0.00 C ATOM 505 C SER A 40 -2.868 -4.879 -9.484 1.00 0.00 C ATOM 506 O SER A 40 -1.646 -5.025 -9.503 1.00 0.00 O ATOM 507 CB SER A 40 -4.320 -6.013 -7.791 1.00 0.00 C ATOM 508 OG SER A 40 -5.507 -6.775 -7.655 1.00 0.00 O ATOM 0 H SER A 40 -2.453 -7.597 -8.728 1.00 0.00 H new ATOM 0 HA SER A 40 -4.635 -6.002 -9.917 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.560 -6.393 -7.108 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.514 -4.978 -7.508 1.00 0.00 H new ATOM 0 HG SER A 40 -5.822 -6.728 -6.728 1.00 0.00 H new ATOM 514 N GLU A 41 -3.460 -3.706 -9.681 1.00 0.00 N ATOM 515 CA GLU A 41 -2.689 -2.495 -9.939 1.00 0.00 C ATOM 516 C GLU A 41 -3.418 -1.263 -9.409 1.00 0.00 C ATOM 517 O GLU A 41 -4.603 -1.066 -9.676 1.00 0.00 O ATOM 518 CB GLU A 41 -2.426 -2.340 -11.438 1.00 0.00 C ATOM 519 CG GLU A 41 -3.685 -2.105 -12.256 1.00 0.00 C ATOM 520 CD GLU A 41 -4.810 -3.050 -11.880 1.00 0.00 C ATOM 521 OE1 GLU A 41 -4.590 -4.279 -11.920 1.00 0.00 O ATOM 522 OE2 GLU A 41 -5.909 -2.561 -11.546 1.00 0.00 O ATOM 0 H GLU A 41 -4.471 -3.568 -9.667 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.736 -2.584 -9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.741 -1.507 -11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.926 -3.236 -11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.018 -1.076 -12.117 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.454 -2.224 -13.314 1.00 0.00 H new ATOM 529 N PHE A 42 -2.699 -0.437 -8.656 1.00 0.00 N ATOM 530 CA PHE A 42 -3.277 0.775 -8.086 1.00 0.00 C ATOM 531 C PHE A 42 -2.420 1.994 -8.419 1.00 0.00 C ATOM 532 O PHE A 42 -1.224 2.023 -8.130 1.00 0.00 O ATOM 533 CB PHE A 42 -3.416 0.635 -6.569 1.00 0.00 C ATOM 534 CG PHE A 42 -2.133 0.869 -5.825 1.00 0.00 C ATOM 535 CD1 PHE A 42 -1.665 2.156 -5.612 1.00 0.00 C ATOM 536 CD2 PHE A 42 -1.394 -0.197 -5.338 1.00 0.00 C ATOM 537 CE1 PHE A 42 -0.484 2.375 -4.927 1.00 0.00 C ATOM 538 CE2 PHE A 42 -0.213 0.016 -4.653 1.00 0.00 C ATOM 539 CZ PHE A 42 0.243 1.303 -4.448 1.00 0.00 C ATOM 0 H PHE A 42 -1.716 -0.584 -8.426 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.266 0.916 -8.523 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.166 1.342 -6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.784 -0.364 -6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.229 2.998 -5.985 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.745 -1.206 -5.496 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.131 3.383 -4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.353 -0.824 -4.278 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.167 1.471 -3.914 1.00 0.00 H new ATOM 549 N PHE A 43 -3.042 2.997 -9.029 1.00 0.00 N ATOM 550 CA PHE A 43 -2.338 4.218 -9.404 1.00 0.00 C ATOM 551 C PHE A 43 -2.292 5.199 -8.236 1.00 0.00 C ATOM 552 O PHE A 43 -3.059 5.079 -7.281 1.00 0.00 O ATOM 553 CB PHE A 43 -3.014 4.873 -10.609 1.00 0.00 C ATOM 554 CG PHE A 43 -2.971 4.031 -11.852 1.00 0.00 C ATOM 555 CD1 PHE A 43 -3.738 2.882 -11.953 1.00 0.00 C ATOM 556 CD2 PHE A 43 -2.163 4.389 -12.920 1.00 0.00 C ATOM 557 CE1 PHE A 43 -3.699 2.105 -13.096 1.00 0.00 C ATOM 558 CE2 PHE A 43 -2.121 3.616 -14.065 1.00 0.00 C ATOM 559 CZ PHE A 43 -2.891 2.473 -14.153 1.00 0.00 C ATOM 0 H PHE A 43 -4.032 2.989 -9.274 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.316 3.951 -9.672 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.054 5.087 -10.360 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.531 5.829 -10.811 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.373 2.590 -11.130 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.559 5.282 -12.857 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.301 1.210 -13.162 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.487 3.906 -14.890 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.861 1.868 -15.047 1.00 0.00 H new ATOM 569 N ILE A 44 -1.387 6.169 -8.321 1.00 0.00 N ATOM 570 CA ILE A 44 -1.242 7.171 -7.273 1.00 0.00 C ATOM 571 C ILE A 44 -1.278 8.581 -7.852 1.00 0.00 C ATOM 572 O ILE A 44 -0.310 9.041 -8.455 1.00 0.00 O ATOM 573 CB ILE A 44 0.073 6.982 -6.492 1.00 0.00 C ATOM 574 CG1 ILE A 44 0.102 5.606 -5.825 1.00 0.00 C ATOM 575 CG2 ILE A 44 0.236 8.084 -5.455 1.00 0.00 C ATOM 576 CD1 ILE A 44 1.339 5.367 -4.988 1.00 0.00 C ATOM 0 H ILE A 44 -0.744 6.282 -9.105 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.082 7.039 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 44 0.906 7.043 -7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.780 5.498 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.039 4.837 -6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.169 7.937 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.255 9.053 -5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.600 8.052 -4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.292 4.372 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.225 5.442 -5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.392 6.114 -4.196 1.00 0.00 H new ATOM 588 N ASN A 45 -2.403 9.264 -7.661 1.00 0.00 N ATOM 589 CA ASN A 45 -2.566 10.623 -8.163 1.00 0.00 C ATOM 590 C ASN A 45 -1.549 11.565 -7.525 1.00 0.00 C ATOM 591 O ASN A 45 -1.755 12.061 -6.417 1.00 0.00 O ATOM 592 CB ASN A 45 -3.985 11.124 -7.887 1.00 0.00 C ATOM 593 CG ASN A 45 -4.329 12.361 -8.695 1.00 0.00 C ATOM 594 OD1 ASN A 45 -3.555 13.317 -8.747 1.00 0.00 O ATOM 595 ND2 ASN A 45 -5.495 12.347 -9.330 1.00 0.00 N ATOM 0 H ASN A 45 -3.214 8.898 -7.162 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.396 10.609 -9.240 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.698 10.333 -8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.089 11.347 -6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.781 13.151 -9.889 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.105 11.533 -9.258 1.00 0.00 H new ATOM 602 N THR A 46 -0.450 11.807 -8.232 1.00 0.00 N ATOM 603 CA THR A 46 0.600 12.688 -7.736 1.00 0.00 C ATOM 604 C THR A 46 0.889 13.811 -8.725 1.00 0.00 C ATOM 605 O THR A 46 1.943 14.445 -8.671 1.00 0.00 O ATOM 606 CB THR A 46 1.902 11.912 -7.463 1.00 0.00 C ATOM 607 OG1 THR A 46 2.915 12.806 -6.989 1.00 0.00 O ATOM 608 CG2 THR A 46 2.388 11.210 -8.722 1.00 0.00 C ATOM 0 H THR A 46 -0.264 11.405 -9.151 1.00 0.00 H new ATOM 0 HA THR A 46 0.238 13.116 -6.801 1.00 0.00 H new ATOM 0 HB THR A 46 1.697 11.159 -6.702 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.840 13.664 -7.457 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.309 10.669 -8.504 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.627 10.509 -9.064 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.577 11.949 -9.501 1.00 0.00 H new ATOM 616 N THR A 47 -0.055 14.054 -9.629 1.00 0.00 N ATOM 617 CA THR A 47 0.099 15.101 -10.632 1.00 0.00 C ATOM 618 C THR A 47 0.091 16.484 -9.989 1.00 0.00 C ATOM 619 O THR A 47 0.702 17.421 -10.502 1.00 0.00 O ATOM 620 CB THR A 47 -1.018 15.034 -11.690 1.00 0.00 C ATOM 621 OG1 THR A 47 -2.299 15.147 -11.059 1.00 0.00 O ATOM 622 CG2 THR A 47 -0.946 13.731 -12.471 1.00 0.00 C ATOM 0 H THR A 47 -0.934 13.540 -9.687 1.00 0.00 H new ATOM 0 HA THR A 47 1.060 14.934 -11.118 1.00 0.00 H new ATOM 0 HB THR A 47 -0.881 15.864 -12.384 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.003 15.105 -11.739 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.745 13.707 -13.212 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.018 13.661 -12.974 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.060 12.890 -11.787 1.00 0.00 H new ATOM 630 N ARG A 48 -0.603 16.603 -8.862 1.00 0.00 N ATOM 631 CA ARG A 48 -0.690 17.872 -8.149 1.00 0.00 C ATOM 632 C ARG A 48 0.424 17.991 -7.113 1.00 0.00 C ATOM 633 O ARG A 48 0.899 19.088 -6.822 1.00 0.00 O ATOM 634 CB ARG A 48 -2.053 18.005 -7.465 1.00 0.00 C ATOM 635 CG ARG A 48 -3.115 18.646 -8.344 1.00 0.00 C ATOM 636 CD ARG A 48 -3.043 20.164 -8.286 1.00 0.00 C ATOM 637 NE ARG A 48 -4.096 20.792 -9.079 1.00 0.00 N ATOM 638 CZ ARG A 48 -4.118 22.085 -9.380 1.00 0.00 C ATOM 639 NH1 ARG A 48 -3.149 22.884 -8.955 1.00 0.00 N ATOM 640 NH2 ARG A 48 -5.110 22.583 -10.106 1.00 0.00 N ATOM 0 H ARG A 48 -1.113 15.837 -8.423 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.575 18.677 -8.875 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.395 17.016 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.938 18.597 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.986 18.313 -9.374 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.103 18.315 -8.024 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.125 20.492 -7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.070 20.495 -8.649 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.857 20.205 -9.421 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.385 22.506 -8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.168 23.877 -9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.858 21.972 -10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.125 23.577 -10.336 1.00 0.00 H new ATOM 654 N ALA A 49 0.835 16.854 -6.561 1.00 0.00 N ATOM 655 CA ALA A 49 1.894 16.831 -5.559 1.00 0.00 C ATOM 656 C ALA A 49 3.239 17.203 -6.174 1.00 0.00 C ATOM 657 O ALA A 49 4.036 17.915 -5.564 1.00 0.00 O ATOM 658 CB ALA A 49 1.972 15.460 -4.905 1.00 0.00 C ATOM 0 H ALA A 49 0.451 15.937 -6.791 1.00 0.00 H new ATOM 0 HA ALA A 49 1.655 17.572 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.767 15.457 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.021 15.232 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.184 14.707 -5.664 1.00 0.00 H new ATOM 664 N GLY A 50 3.486 16.716 -7.386 1.00 0.00 N ATOM 665 CA GLY A 50 4.737 17.007 -8.062 1.00 0.00 C ATOM 666 C GLY A 50 5.664 15.809 -8.109 1.00 0.00 C ATOM 667 O GLY A 50 5.681 14.975 -7.204 1.00 0.00 O ATOM 0 H GLY A 50 2.842 16.125 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.528 17.341 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.238 17.830 -7.553 1.00 0.00 H new ATOM 671 N PRO A 51 6.456 15.711 -9.187 1.00 0.00 N ATOM 672 CA PRO A 51 7.404 14.608 -9.374 1.00 0.00 C ATOM 673 C PRO A 51 8.574 14.677 -8.399 1.00 0.00 C ATOM 674 O PRO A 51 8.720 15.648 -7.657 1.00 0.00 O ATOM 675 CB PRO A 51 7.894 14.803 -10.811 1.00 0.00 C ATOM 676 CG PRO A 51 7.708 16.256 -11.082 1.00 0.00 C ATOM 677 CD PRO A 51 6.489 16.669 -10.304 1.00 0.00 C ATOM 0 HA PRO A 51 6.941 13.638 -9.194 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.939 14.512 -10.916 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.322 14.194 -11.510 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.583 16.826 -10.769 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.572 16.440 -12.148 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.568 17.697 -9.950 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.586 16.610 -10.911 1.00 0.00 H new ATOM 685 N GLY A 52 9.406 13.639 -8.405 1.00 0.00 N ATOM 686 CA GLY A 52 10.552 13.603 -7.516 1.00 0.00 C ATOM 687 C GLY A 52 11.015 12.189 -7.226 1.00 0.00 C ATOM 688 O GLY A 52 11.440 11.468 -8.129 1.00 0.00 O ATOM 0 H GLY A 52 9.306 12.823 -9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.372 14.166 -7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.297 14.098 -6.579 1.00 0.00 H new ATOM 692 N THR A 53 10.936 11.790 -5.960 1.00 0.00 N ATOM 693 CA THR A 53 11.354 10.455 -5.552 1.00 0.00 C ATOM 694 C THR A 53 10.162 9.623 -5.092 1.00 0.00 C ATOM 695 O THR A 53 9.283 10.117 -4.384 1.00 0.00 O ATOM 696 CB THR A 53 12.393 10.513 -4.416 1.00 0.00 C ATOM 697 OG1 THR A 53 13.495 11.342 -4.803 1.00 0.00 O ATOM 698 CG2 THR A 53 12.896 9.120 -4.070 1.00 0.00 C ATOM 0 H THR A 53 10.586 12.373 -5.200 1.00 0.00 H new ATOM 0 HA THR A 53 11.807 9.986 -6.425 1.00 0.00 H new ATOM 0 HB THR A 53 11.912 10.937 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.151 11.375 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.628 9.187 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.059 8.500 -3.748 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.362 8.673 -4.948 1.00 0.00 H new ATOM 706 N LEU A 54 10.137 8.358 -5.498 1.00 0.00 N ATOM 707 CA LEU A 54 9.052 7.456 -5.127 1.00 0.00 C ATOM 708 C LEU A 54 9.495 6.495 -4.029 1.00 0.00 C ATOM 709 O LEU A 54 10.609 5.972 -4.061 1.00 0.00 O ATOM 710 CB LEU A 54 8.576 6.669 -6.349 1.00 0.00 C ATOM 711 CG LEU A 54 7.452 7.310 -7.164 1.00 0.00 C ATOM 712 CD1 LEU A 54 6.234 7.561 -6.288 1.00 0.00 C ATOM 713 CD2 LEU A 54 7.928 8.607 -7.802 1.00 0.00 C ATOM 0 H LEU A 54 10.856 7.934 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 54 8.226 8.057 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.429 6.509 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.241 5.687 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 54 7.167 6.621 -7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.444 8.017 -6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.879 6.615 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.505 8.231 -5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.115 9.049 -8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.241 9.302 -7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.770 8.400 -8.463 1.00 0.00 H new ATOM 725 N SER A 55 8.615 6.264 -3.060 1.00 0.00 N ATOM 726 CA SER A 55 8.916 5.366 -1.952 1.00 0.00 C ATOM 727 C SER A 55 7.726 4.460 -1.648 1.00 0.00 C ATOM 728 O SER A 55 6.676 4.923 -1.202 1.00 0.00 O ATOM 729 CB SER A 55 9.291 6.169 -0.705 1.00 0.00 C ATOM 730 OG SER A 55 10.642 6.592 -0.759 1.00 0.00 O ATOM 0 H SER A 55 7.688 6.687 -3.020 1.00 0.00 H new ATOM 0 HA SER A 55 9.761 4.742 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.638 7.037 -0.618 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.132 5.560 0.185 1.00 0.00 H new ATOM 0 HG SER A 55 10.857 7.105 0.048 1.00 0.00 H new ATOM 736 N VAL A 56 7.899 3.165 -1.894 1.00 0.00 N ATOM 737 CA VAL A 56 6.841 2.192 -1.646 1.00 0.00 C ATOM 738 C VAL A 56 7.390 0.945 -0.964 1.00 0.00 C ATOM 739 O VAL A 56 8.337 0.324 -1.448 1.00 0.00 O ATOM 740 CB VAL A 56 6.139 1.782 -2.955 1.00 0.00 C ATOM 741 CG1 VAL A 56 7.163 1.482 -4.039 1.00 0.00 C ATOM 742 CG2 VAL A 56 5.234 0.582 -2.719 1.00 0.00 C ATOM 0 H VAL A 56 8.761 2.765 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 56 6.116 2.672 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 56 5.522 2.614 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.649 1.194 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.767 2.370 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.809 0.666 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.746 0.305 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.829 -0.257 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.478 0.837 -1.976 1.00 0.00 H new ATOM 752 N THR A 57 6.789 0.581 0.165 1.00 0.00 N ATOM 753 CA THR A 57 7.218 -0.592 0.916 1.00 0.00 C ATOM 754 C THR A 57 6.032 -1.484 1.265 1.00 0.00 C ATOM 755 O THR A 57 5.084 -1.045 1.917 1.00 0.00 O ATOM 756 CB THR A 57 7.946 -0.194 2.213 1.00 0.00 C ATOM 757 OG1 THR A 57 8.655 1.036 2.019 1.00 0.00 O ATOM 758 CG2 THR A 57 8.917 -1.282 2.644 1.00 0.00 C ATOM 0 H THR A 57 6.003 1.082 0.579 1.00 0.00 H new ATOM 0 HA THR A 57 7.908 -1.142 0.276 1.00 0.00 H new ATOM 0 HB THR A 57 7.200 -0.063 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.114 1.283 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.419 -0.978 3.562 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.371 -2.209 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.658 -1.440 1.860 1.00 0.00 H new ATOM 766 N ILE A 58 6.092 -2.738 0.830 1.00 0.00 N ATOM 767 CA ILE A 58 5.024 -3.692 1.099 1.00 0.00 C ATOM 768 C ILE A 58 5.521 -4.845 1.965 1.00 0.00 C ATOM 769 O ILE A 58 6.704 -5.183 1.944 1.00 0.00 O ATOM 770 CB ILE A 58 4.436 -4.262 -0.205 1.00 0.00 C ATOM 771 CG1 ILE A 58 4.161 -3.134 -1.202 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.162 -5.042 0.084 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.784 -3.625 -2.582 1.00 0.00 C ATOM 0 H ILE A 58 6.870 -3.117 0.289 1.00 0.00 H new ATOM 0 HA ILE A 58 4.244 -3.149 1.633 1.00 0.00 H new ATOM 0 HB ILE A 58 5.164 -4.943 -0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.357 -2.507 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.047 -2.504 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.759 -5.438 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.386 -5.866 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.428 -4.382 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.604 -2.771 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.596 -4.228 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.880 -4.231 -2.518 1.00 0.00 H new ATOM 785 N GLU A 59 4.609 -5.444 2.724 1.00 0.00 N ATOM 786 CA GLU A 59 4.956 -6.559 3.597 1.00 0.00 C ATOM 787 C GLU A 59 3.933 -7.685 3.473 1.00 0.00 C ATOM 788 O GLU A 59 2.968 -7.581 2.717 1.00 0.00 O ATOM 789 CB GLU A 59 5.042 -6.091 5.051 1.00 0.00 C ATOM 790 CG GLU A 59 3.732 -6.218 5.810 1.00 0.00 C ATOM 791 CD GLU A 59 3.745 -5.466 7.126 1.00 0.00 C ATOM 792 OE1 GLU A 59 4.513 -4.487 7.242 1.00 0.00 O ATOM 793 OE2 GLU A 59 2.989 -5.855 8.040 1.00 0.00 O ATOM 0 H GLU A 59 3.625 -5.176 2.752 1.00 0.00 H new ATOM 0 HA GLU A 59 5.930 -6.939 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.808 -6.671 5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.364 -5.050 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.919 -5.842 5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.527 -7.272 6.000 1.00 0.00 H new ATOM 800 N GLY A 60 4.152 -8.761 4.222 1.00 0.00 N ATOM 801 CA GLY A 60 3.243 -9.891 4.182 1.00 0.00 C ATOM 802 C GLY A 60 3.935 -11.204 4.490 1.00 0.00 C ATOM 803 O GLY A 60 5.161 -11.281 4.568 1.00 0.00 O ATOM 0 H GLY A 60 4.943 -8.870 4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.438 -9.731 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.784 -9.949 3.195 1.00 0.00 H new ATOM 807 N PRO A 61 3.139 -12.268 4.673 1.00 0.00 N ATOM 808 CA PRO A 61 3.661 -13.604 4.979 1.00 0.00 C ATOM 809 C PRO A 61 4.387 -14.228 3.792 1.00 0.00 C ATOM 810 O PRO A 61 5.424 -14.871 3.954 1.00 0.00 O ATOM 811 CB PRO A 61 2.403 -14.407 5.319 1.00 0.00 C ATOM 812 CG PRO A 61 1.302 -13.708 4.599 1.00 0.00 C ATOM 813 CD PRO A 61 1.669 -12.250 4.596 1.00 0.00 C ATOM 0 HA PRO A 61 4.398 -13.580 5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.494 -15.443 4.993 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.224 -14.426 6.394 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.199 -14.086 3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.346 -13.869 5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.320 -11.750 3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.229 -11.723 5.443 1.00 0.00 H new ATOM 821 N SER A 62 3.836 -14.033 2.598 1.00 0.00 N ATOM 822 CA SER A 62 4.430 -14.580 1.383 1.00 0.00 C ATOM 823 C SER A 62 5.269 -13.527 0.667 1.00 0.00 C ATOM 824 O SER A 62 4.879 -12.363 0.572 1.00 0.00 O ATOM 825 CB SER A 62 3.338 -15.102 0.447 1.00 0.00 C ATOM 826 OG SER A 62 3.805 -16.199 -0.319 1.00 0.00 O ATOM 0 H SER A 62 2.979 -13.501 2.446 1.00 0.00 H new ATOM 0 HA SER A 62 5.081 -15.407 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.469 -15.406 1.031 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.012 -14.302 -0.218 1.00 0.00 H new ATOM 0 HG SER A 62 3.051 -16.616 -0.787 1.00 0.00 H new ATOM 832 N LYS A 63 6.426 -13.943 0.164 1.00 0.00 N ATOM 833 CA LYS A 63 7.323 -13.038 -0.545 1.00 0.00 C ATOM 834 C LYS A 63 6.813 -12.762 -1.956 1.00 0.00 C ATOM 835 O LYS A 63 6.816 -13.647 -2.812 1.00 0.00 O ATOM 836 CB LYS A 63 8.733 -13.629 -0.607 1.00 0.00 C ATOM 837 CG LYS A 63 9.685 -12.841 -1.490 1.00 0.00 C ATOM 838 CD LYS A 63 10.262 -11.641 -0.756 1.00 0.00 C ATOM 839 CE LYS A 63 11.101 -10.773 -1.680 1.00 0.00 C ATOM 840 NZ LYS A 63 11.728 -9.634 -0.954 1.00 0.00 N ATOM 0 H LYS A 63 6.765 -14.902 0.234 1.00 0.00 H new ATOM 0 HA LYS A 63 7.355 -12.096 0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.142 -13.677 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.673 -14.653 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.495 -13.490 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.159 -12.504 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.451 -11.047 -0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.874 -11.983 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.879 -11.381 -2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.475 -10.390 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.291 -9.066 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.986 -9.039 -0.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.346 -10.000 -0.201 1.00 0.00 H new ATOM 854 N VAL A 64 6.378 -11.529 -2.192 1.00 0.00 N ATOM 855 CA VAL A 64 5.868 -11.136 -3.500 1.00 0.00 C ATOM 856 C VAL A 64 6.913 -10.350 -4.284 1.00 0.00 C ATOM 857 O VAL A 64 7.462 -9.363 -3.794 1.00 0.00 O ATOM 858 CB VAL A 64 4.591 -10.284 -3.372 1.00 0.00 C ATOM 859 CG1 VAL A 64 3.561 -10.992 -2.506 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.922 -8.911 -2.806 1.00 0.00 C ATOM 0 H VAL A 64 6.368 -10.785 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 64 5.631 -12.055 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 64 4.164 -10.149 -4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.666 -10.375 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.303 -11.950 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.975 -11.159 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.009 -8.322 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.373 -9.023 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.622 -8.403 -3.470 1.00 0.00 H new ATOM 870 N LYS A 65 7.185 -10.794 -5.507 1.00 0.00 N ATOM 871 CA LYS A 65 8.163 -10.133 -6.362 1.00 0.00 C ATOM 872 C LYS A 65 7.527 -8.973 -7.121 1.00 0.00 C ATOM 873 O LYS A 65 7.985 -8.601 -8.201 1.00 0.00 O ATOM 874 CB LYS A 65 8.767 -11.134 -7.350 1.00 0.00 C ATOM 875 CG LYS A 65 9.906 -11.952 -6.768 1.00 0.00 C ATOM 876 CD LYS A 65 10.400 -13.000 -7.751 1.00 0.00 C ATOM 877 CE LYS A 65 11.400 -13.945 -7.103 1.00 0.00 C ATOM 878 NZ LYS A 65 11.779 -15.060 -8.014 1.00 0.00 N ATOM 0 H LYS A 65 6.741 -11.610 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 65 8.955 -9.737 -5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.984 -11.810 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.129 -10.594 -8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.729 -11.290 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.574 -12.440 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.553 -13.571 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.864 -12.508 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.293 -13.389 -6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.973 -14.353 -6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.462 -15.682 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.931 -15.606 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.210 -14.672 -8.877 1.00 0.00 H new ATOM 892 N MET A 66 6.469 -8.407 -6.549 1.00 0.00 N ATOM 893 CA MET A 66 5.772 -7.288 -7.172 1.00 0.00 C ATOM 894 C MET A 66 6.761 -6.320 -7.814 1.00 0.00 C ATOM 895 O MET A 66 7.895 -6.181 -7.354 1.00 0.00 O ATOM 896 CB MET A 66 4.918 -6.552 -6.138 1.00 0.00 C ATOM 897 CG MET A 66 5.710 -5.581 -5.277 1.00 0.00 C ATOM 898 SD MET A 66 7.113 -6.364 -4.458 1.00 0.00 S ATOM 899 CE MET A 66 6.731 -6.032 -2.740 1.00 0.00 C ATOM 0 H MET A 66 6.076 -8.705 -5.656 1.00 0.00 H new ATOM 0 HA MET A 66 5.123 -7.686 -7.952 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.128 -6.007 -6.653 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.432 -7.284 -5.493 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.069 -4.760 -5.898 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.051 -5.147 -4.525 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.306 -6.704 -2.103 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.988 -4.999 -2.503 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.667 -6.190 -2.567 1.00 0.00 H new ATOM 909 N ASP A 67 6.325 -5.654 -8.877 1.00 0.00 N ATOM 910 CA ASP A 67 7.173 -4.698 -9.581 1.00 0.00 C ATOM 911 C ASP A 67 6.370 -3.475 -10.012 1.00 0.00 C ATOM 912 O ASP A 67 5.283 -3.600 -10.578 1.00 0.00 O ATOM 913 CB ASP A 67 7.816 -5.358 -10.802 1.00 0.00 C ATOM 914 CG ASP A 67 9.130 -4.707 -11.187 1.00 0.00 C ATOM 915 OD1 ASP A 67 10.128 -4.916 -10.467 1.00 0.00 O ATOM 916 OD2 ASP A 67 9.160 -3.988 -12.208 1.00 0.00 O ATOM 0 H ASP A 67 5.390 -5.758 -9.271 1.00 0.00 H new ATOM 0 HA ASP A 67 7.958 -4.373 -8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.985 -6.415 -10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.127 -5.305 -11.645 1.00 0.00 H new ATOM 921 N CYS A 68 6.912 -2.293 -9.740 1.00 0.00 N ATOM 922 CA CYS A 68 6.245 -1.046 -10.098 1.00 0.00 C ATOM 923 C CYS A 68 7.173 -0.147 -10.909 1.00 0.00 C ATOM 924 O CYS A 68 8.369 -0.062 -10.632 1.00 0.00 O ATOM 925 CB CYS A 68 5.778 -0.313 -8.839 1.00 0.00 C ATOM 926 SG CYS A 68 7.125 0.274 -7.784 1.00 0.00 S ATOM 0 H CYS A 68 7.811 -2.172 -9.273 1.00 0.00 H new ATOM 0 HA CYS A 68 5.377 -1.290 -10.711 1.00 0.00 H new ATOM 0 HB2 CYS A 68 5.164 0.538 -9.134 1.00 0.00 H new ATOM 0 HB3 CYS A 68 5.140 -0.980 -8.259 1.00 0.00 H new ATOM 0 HG CYS A 68 7.176 1.572 -7.828 1.00 0.00 H new ATOM 932 N GLN A 69 6.612 0.520 -11.913 1.00 0.00 N ATOM 933 CA GLN A 69 7.390 1.411 -12.766 1.00 0.00 C ATOM 934 C GLN A 69 6.800 2.817 -12.767 1.00 0.00 C ATOM 935 O GLN A 69 5.669 3.025 -12.330 1.00 0.00 O ATOM 936 CB GLN A 69 7.442 0.866 -14.195 1.00 0.00 C ATOM 937 CG GLN A 69 6.082 0.795 -14.869 1.00 0.00 C ATOM 938 CD GLN A 69 5.283 -0.422 -14.444 1.00 0.00 C ATOM 939 OE1 GLN A 69 5.642 -1.112 -13.490 1.00 0.00 O ATOM 940 NE2 GLN A 69 4.192 -0.691 -15.152 1.00 0.00 N ATOM 0 H GLN A 69 5.623 0.460 -12.155 1.00 0.00 H new ATOM 0 HA GLN A 69 8.403 1.462 -12.367 1.00 0.00 H new ATOM 0 HB2 GLN A 69 8.101 1.496 -14.792 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.883 -0.131 -14.179 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.516 1.697 -14.634 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.217 0.777 -15.950 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.932 -0.092 -15.935 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.614 -1.497 -14.912 1.00 0.00 H new ATOM 949 N GLU A 70 7.574 3.778 -13.260 1.00 0.00 N ATOM 950 CA GLU A 70 7.127 5.165 -13.316 1.00 0.00 C ATOM 951 C GLU A 70 6.118 5.366 -14.443 1.00 0.00 C ATOM 952 O GLU A 70 6.154 4.669 -15.457 1.00 0.00 O ATOM 953 CB GLU A 70 8.321 6.102 -13.514 1.00 0.00 C ATOM 954 CG GLU A 70 8.977 5.973 -14.879 1.00 0.00 C ATOM 955 CD GLU A 70 9.788 4.699 -15.018 1.00 0.00 C ATOM 956 OE1 GLU A 70 10.447 4.306 -14.033 1.00 0.00 O ATOM 957 OE2 GLU A 70 9.765 4.097 -16.111 1.00 0.00 O ATOM 0 H GLU A 70 8.513 3.622 -13.626 1.00 0.00 H new ATOM 0 HA GLU A 70 6.641 5.402 -12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.991 7.131 -13.375 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.064 5.898 -12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.208 5.996 -15.651 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.625 6.833 -15.049 1.00 0.00 H new ATOM 964 N THR A 71 5.216 6.325 -14.257 1.00 0.00 N ATOM 965 CA THR A 71 4.195 6.618 -15.254 1.00 0.00 C ATOM 966 C THR A 71 4.091 8.117 -15.511 1.00 0.00 C ATOM 967 O THR A 71 4.373 8.942 -14.642 1.00 0.00 O ATOM 968 CB THR A 71 2.816 6.087 -14.820 1.00 0.00 C ATOM 969 OG1 THR A 71 2.369 6.782 -13.650 1.00 0.00 O ATOM 970 CG2 THR A 71 2.876 4.593 -14.536 1.00 0.00 C ATOM 0 H THR A 71 5.172 6.912 -13.424 1.00 0.00 H new ATOM 0 HA THR A 71 4.497 6.114 -16.172 1.00 0.00 H new ATOM 0 HB THR A 71 2.113 6.258 -15.635 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.491 6.440 -13.382 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.891 4.241 -14.231 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.188 4.064 -15.436 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.592 4.403 -13.737 1.00 0.00 H new ATOM 978 N PRO A 72 3.675 8.481 -16.734 1.00 0.00 N ATOM 979 CA PRO A 72 3.524 9.884 -17.133 1.00 0.00 C ATOM 980 C PRO A 72 2.356 10.564 -16.426 1.00 0.00 C ATOM 981 O PRO A 72 2.114 11.756 -16.616 1.00 0.00 O ATOM 982 CB PRO A 72 3.260 9.798 -18.638 1.00 0.00 C ATOM 983 CG PRO A 72 2.674 8.444 -18.843 1.00 0.00 C ATOM 984 CD PRO A 72 3.321 7.552 -17.820 1.00 0.00 C ATOM 0 HA PRO A 72 4.400 10.479 -16.873 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.574 10.580 -18.965 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.180 9.922 -19.209 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.592 8.464 -18.714 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.868 8.084 -19.853 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.640 6.774 -17.477 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.201 7.051 -18.223 1.00 0.00 H new ATOM 992 N GLU A 73 1.637 9.800 -15.611 1.00 0.00 N ATOM 993 CA GLU A 73 0.494 10.331 -14.877 1.00 0.00 C ATOM 994 C GLU A 73 0.839 10.528 -13.403 1.00 0.00 C ATOM 995 O GLU A 73 0.501 11.550 -12.807 1.00 0.00 O ATOM 996 CB GLU A 73 -0.707 9.392 -15.009 1.00 0.00 C ATOM 997 CG GLU A 73 -1.951 9.891 -14.294 1.00 0.00 C ATOM 998 CD GLU A 73 -2.643 11.014 -15.042 1.00 0.00 C ATOM 999 OE1 GLU A 73 -1.962 12.001 -15.392 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -3.864 10.907 -15.278 1.00 0.00 O ATOM 0 H GLU A 73 1.825 8.812 -15.442 1.00 0.00 H new ATOM 0 HA GLU A 73 0.237 11.300 -15.306 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.936 9.255 -16.066 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.438 8.413 -14.612 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.648 9.063 -14.164 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.678 10.237 -13.297 1.00 0.00 H new ATOM 1007 N GLY A 74 1.514 9.541 -12.822 1.00 0.00 N ATOM 1008 CA GLY A 74 1.893 9.625 -11.423 1.00 0.00 C ATOM 1009 C GLY A 74 2.708 8.430 -10.971 1.00 0.00 C ATOM 1010 O GLY A 74 3.933 8.504 -10.881 1.00 0.00 O ATOM 0 H GLY A 74 1.805 8.685 -13.294 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.468 10.536 -11.260 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.995 9.701 -10.810 1.00 0.00 H new ATOM 1014 N TYR A 75 2.027 7.326 -10.684 1.00 0.00 N ATOM 1015 CA TYR A 75 2.695 6.111 -10.234 1.00 0.00 C ATOM 1016 C TYR A 75 1.755 4.912 -10.310 1.00 0.00 C ATOM 1017 O TYR A 75 0.576 5.010 -9.971 1.00 0.00 O ATOM 1018 CB TYR A 75 3.205 6.284 -8.802 1.00 0.00 C ATOM 1019 CG TYR A 75 4.408 5.427 -8.480 1.00 0.00 C ATOM 1020 CD1 TYR A 75 5.505 5.386 -9.331 1.00 0.00 C ATOM 1021 CD2 TYR A 75 4.447 4.658 -7.323 1.00 0.00 C ATOM 1022 CE1 TYR A 75 6.606 4.603 -9.041 1.00 0.00 C ATOM 1023 CE2 TYR A 75 5.545 3.874 -7.023 1.00 0.00 C ATOM 1024 CZ TYR A 75 6.621 3.849 -7.886 1.00 0.00 C ATOM 1025 OH TYR A 75 7.716 3.070 -7.592 1.00 0.00 O ATOM 0 H TYR A 75 1.012 7.248 -10.755 1.00 0.00 H new ATOM 0 HA TYR A 75 3.543 5.927 -10.894 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.462 7.331 -8.641 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.401 6.042 -8.107 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.497 5.976 -10.235 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.605 4.673 -6.647 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.450 4.581 -9.715 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.561 3.284 -6.118 1.00 0.00 H new ATOM 0 HH TYR A 75 7.679 2.796 -6.652 1.00 0.00 H new ATOM 1035 N LYS A 76 2.286 3.779 -10.757 1.00 0.00 N ATOM 1036 CA LYS A 76 1.498 2.558 -10.877 1.00 0.00 C ATOM 1037 C LYS A 76 2.237 1.371 -10.267 1.00 0.00 C ATOM 1038 O LYS A 76 3.375 1.081 -10.635 1.00 0.00 O ATOM 1039 CB LYS A 76 1.179 2.274 -12.346 1.00 0.00 C ATOM 1040 CG LYS A 76 0.209 1.123 -12.547 1.00 0.00 C ATOM 1041 CD LYS A 76 -0.010 0.829 -14.021 1.00 0.00 C ATOM 1042 CE LYS A 76 -1.031 -0.281 -14.223 1.00 0.00 C ATOM 1043 NZ LYS A 76 -1.127 -0.693 -15.650 1.00 0.00 N ATOM 0 H LYS A 76 3.260 3.681 -11.043 1.00 0.00 H new ATOM 0 HA LYS A 76 0.566 2.702 -10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.761 3.173 -12.799 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.106 2.053 -12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.593 0.232 -12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.745 1.364 -12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.349 1.733 -14.527 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.936 0.542 -14.480 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.756 -1.142 -13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.008 0.056 -13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.833 -1.451 -15.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.414 0.122 -16.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.201 -1.039 -15.974 1.00 0.00 H new ATOM 1057 N VAL A 77 1.581 0.687 -9.335 1.00 0.00 N ATOM 1058 CA VAL A 77 2.176 -0.470 -8.677 1.00 0.00 C ATOM 1059 C VAL A 77 1.273 -1.693 -8.794 1.00 0.00 C ATOM 1060 O VAL A 77 0.057 -1.598 -8.627 1.00 0.00 O ATOM 1061 CB VAL A 77 2.450 -0.190 -7.187 1.00 0.00 C ATOM 1062 CG1 VAL A 77 2.953 -1.445 -6.491 1.00 0.00 C ATOM 1063 CG2 VAL A 77 3.446 0.950 -7.035 1.00 0.00 C ATOM 0 H VAL A 77 0.638 0.914 -9.019 1.00 0.00 H new ATOM 0 HA VAL A 77 3.121 -0.669 -9.182 1.00 0.00 H new ATOM 0 HB VAL A 77 1.515 0.108 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.141 -1.227 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.202 -2.231 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.877 -1.777 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.628 1.135 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.383 0.682 -7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.041 1.851 -7.496 1.00 0.00 H new ATOM 1073 N MET A 78 1.876 -2.842 -9.083 1.00 0.00 N ATOM 1074 CA MET A 78 1.126 -4.085 -9.221 1.00 0.00 C ATOM 1075 C MET A 78 1.834 -5.230 -8.504 1.00 0.00 C ATOM 1076 O MET A 78 3.031 -5.447 -8.692 1.00 0.00 O ATOM 1077 CB MET A 78 0.940 -4.431 -10.700 1.00 0.00 C ATOM 1078 CG MET A 78 0.603 -3.230 -11.568 1.00 0.00 C ATOM 1079 SD MET A 78 2.065 -2.298 -12.061 1.00 0.00 S ATOM 1080 CE MET A 78 3.032 -3.580 -12.856 1.00 0.00 C ATOM 0 H MET A 78 2.881 -2.938 -9.226 1.00 0.00 H new ATOM 0 HA MET A 78 0.148 -3.943 -8.762 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.853 -4.894 -11.074 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.146 -5.171 -10.794 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.074 -3.568 -12.459 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.076 -2.573 -11.025 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.841 -3.124 -13.427 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.451 -4.242 -12.098 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.393 -4.155 -13.526 1.00 0.00 H new ATOM 1090 N TYR A 79 1.087 -5.957 -7.681 1.00 0.00 N ATOM 1091 CA TYR A 79 1.644 -7.078 -6.933 1.00 0.00 C ATOM 1092 C TYR A 79 0.737 -8.301 -7.027 1.00 0.00 C ATOM 1093 O TYR A 79 -0.488 -8.180 -7.053 1.00 0.00 O ATOM 1094 CB TYR A 79 1.847 -6.691 -5.467 1.00 0.00 C ATOM 1095 CG TYR A 79 0.553 -6.482 -4.712 1.00 0.00 C ATOM 1096 CD1 TYR A 79 -0.105 -5.259 -4.747 1.00 0.00 C ATOM 1097 CD2 TYR A 79 -0.011 -7.509 -3.965 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -1.287 -5.065 -4.058 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -1.193 -7.324 -3.274 1.00 0.00 C ATOM 1100 CZ TYR A 79 -1.826 -6.100 -3.323 1.00 0.00 C ATOM 1101 OH TYR A 79 -3.004 -5.910 -2.636 1.00 0.00 O ATOM 0 H TYR A 79 0.095 -5.790 -7.515 1.00 0.00 H new ATOM 0 HA TYR A 79 2.609 -7.330 -7.372 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.426 -7.470 -4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.438 -5.776 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.314 -4.447 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.483 -8.468 -3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.786 -4.108 -4.095 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.619 -8.133 -2.699 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.559 -5.258 -3.112 1.00 0.00 H new ATOM 1111 N THR A 80 1.347 -9.481 -7.077 1.00 0.00 N ATOM 1112 CA THR A 80 0.597 -10.727 -7.168 1.00 0.00 C ATOM 1113 C THR A 80 0.992 -11.690 -6.054 1.00 0.00 C ATOM 1114 O THR A 80 2.004 -12.385 -6.132 1.00 0.00 O ATOM 1115 CB THR A 80 0.815 -11.416 -8.528 1.00 0.00 C ATOM 1116 OG1 THR A 80 0.587 -10.485 -9.592 1.00 0.00 O ATOM 1117 CG2 THR A 80 -0.113 -12.610 -8.685 1.00 0.00 C ATOM 0 H THR A 80 2.360 -9.600 -7.056 1.00 0.00 H new ATOM 0 HA THR A 80 -0.457 -10.469 -7.064 1.00 0.00 H new ATOM 0 HB THR A 80 1.845 -11.769 -8.570 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.729 -10.931 -10.453 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.060 -13.080 -9.653 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.084 -13.331 -7.891 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.149 -12.276 -8.623 1.00 0.00 H new ATOM 1125 N PRO A 81 0.174 -11.733 -4.991 1.00 0.00 N ATOM 1126 CA PRO A 81 0.418 -12.609 -3.841 1.00 0.00 C ATOM 1127 C PRO A 81 0.215 -14.082 -4.181 1.00 0.00 C ATOM 1128 O PRO A 81 -0.718 -14.440 -4.897 1.00 0.00 O ATOM 1129 CB PRO A 81 -0.623 -12.148 -2.818 1.00 0.00 C ATOM 1130 CG PRO A 81 -1.717 -11.550 -3.634 1.00 0.00 C ATOM 1131 CD PRO A 81 -1.051 -10.932 -4.831 1.00 0.00 C ATOM 0 HA PRO A 81 1.446 -12.539 -3.485 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.987 -12.983 -2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.202 -11.419 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.437 -12.310 -3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.265 -10.801 -3.063 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.685 -10.986 -5.716 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.824 -9.879 -4.665 1.00 0.00 H new ATOM 1139 N MET A 82 1.096 -14.930 -3.661 1.00 0.00 N ATOM 1140 CA MET A 82 1.012 -16.365 -3.908 1.00 0.00 C ATOM 1141 C MET A 82 0.205 -17.059 -2.815 1.00 0.00 C ATOM 1142 O MET A 82 -0.438 -18.079 -3.059 1.00 0.00 O ATOM 1143 CB MET A 82 2.414 -16.973 -3.987 1.00 0.00 C ATOM 1144 CG MET A 82 2.436 -18.374 -4.579 1.00 0.00 C ATOM 1145 SD MET A 82 4.109 -18.967 -4.896 1.00 0.00 S ATOM 1146 CE MET A 82 4.161 -18.893 -6.685 1.00 0.00 C ATOM 0 H MET A 82 1.876 -14.649 -3.066 1.00 0.00 H new ATOM 0 HA MET A 82 0.504 -16.515 -4.861 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.050 -16.323 -4.588 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.845 -17.003 -2.986 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.934 -19.060 -3.897 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.870 -18.380 -5.510 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.137 -19.230 -7.035 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.385 -19.537 -7.099 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.993 -17.867 -7.012 1.00 0.00 H new ATOM 1156 N ALA A 83 0.245 -16.499 -1.611 1.00 0.00 N ATOM 1157 CA ALA A 83 -0.485 -17.063 -0.482 1.00 0.00 C ATOM 1158 C ALA A 83 -1.238 -15.979 0.282 1.00 0.00 C ATOM 1159 O ALA A 83 -0.816 -14.825 0.347 1.00 0.00 O ATOM 1160 CB ALA A 83 0.469 -17.800 0.447 1.00 0.00 C ATOM 0 H ALA A 83 0.775 -15.655 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.217 -17.771 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.089 -18.216 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.958 -18.606 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.222 -17.106 0.821 1.00 0.00 H new ATOM 1166 N PRO A 84 -2.380 -16.357 0.874 1.00 0.00 N ATOM 1167 CA PRO A 84 -3.216 -15.432 1.645 1.00 0.00 C ATOM 1168 C PRO A 84 -2.561 -15.012 2.956 1.00 0.00 C ATOM 1169 O PRO A 84 -1.464 -15.462 3.284 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.485 -16.243 1.917 1.00 0.00 C ATOM 1171 CG PRO A 84 -4.045 -17.665 1.861 1.00 0.00 C ATOM 1172 CD PRO A 84 -2.943 -17.718 0.839 1.00 0.00 C ATOM 0 HA PRO A 84 -3.395 -14.501 1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.910 -15.998 2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.254 -16.037 1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.690 -18.002 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.871 -18.318 1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.195 -18.469 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -3.324 -17.970 -0.151 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.240 -14.147 3.702 1.00 0.00 N ATOM 1181 CA GLY A 85 -2.708 -13.681 4.969 1.00 0.00 C ATOM 1182 C GLY A 85 -2.987 -12.211 5.210 1.00 0.00 C ATOM 1183 O GLY A 85 -4.058 -11.711 4.866 1.00 0.00 O ATOM 0 H GLY A 85 -4.150 -13.760 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.142 -14.267 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.632 -13.852 4.992 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.023 -11.517 5.806 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.171 -10.095 6.095 1.00 0.00 C ATOM 1189 C ASN A 86 -0.969 -9.307 5.583 1.00 0.00 C ATOM 1190 O ASN A 86 0.135 -9.423 6.116 1.00 0.00 O ATOM 1191 CB ASN A 86 -2.336 -9.874 7.600 1.00 0.00 C ATOM 1192 CG ASN A 86 -1.365 -10.705 8.416 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -1.338 -11.931 8.311 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -0.560 -10.038 9.236 1.00 0.00 N ATOM 0 H ASN A 86 -1.131 -11.916 6.098 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.063 -9.737 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.187 -8.819 7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.357 -10.122 7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.115 -10.543 9.810 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.617 -9.021 9.291 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.192 -8.507 4.547 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.128 -7.701 3.961 1.00 0.00 C ATOM 1203 C TYR A 87 -0.225 -6.250 4.423 1.00 0.00 C ATOM 1204 O TYR A 87 -1.243 -5.829 4.974 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.191 -7.767 2.434 1.00 0.00 C ATOM 1206 CG TYR A 87 0.227 -9.105 1.868 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.443 -10.270 2.220 1.00 0.00 C ATOM 1208 CD2 TYR A 87 1.292 -9.205 0.982 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.065 -11.495 1.706 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.677 -10.425 0.462 1.00 0.00 C ATOM 1211 CZ TYR A 87 0.996 -11.568 0.827 1.00 0.00 C ATOM 1212 OH TYR A 87 1.376 -12.786 0.312 1.00 0.00 O ATOM 0 H TYR A 87 -2.100 -8.399 4.095 1.00 0.00 H new ATOM 0 HA TYR A 87 0.826 -8.107 4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.209 -7.547 2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.450 -6.990 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.274 -10.217 2.908 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.829 -8.313 0.695 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.597 -12.391 1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.507 -10.484 -0.227 1.00 0.00 H new ATOM 0 HH TYR A 87 0.625 -13.413 0.366 1.00 0.00 H new ATOM 1222 N LEU A 88 0.840 -5.490 4.194 1.00 0.00 N ATOM 1223 CA LEU A 88 0.876 -4.085 4.585 1.00 0.00 C ATOM 1224 C LEU A 88 1.486 -3.228 3.481 1.00 0.00 C ATOM 1225 O LEU A 88 2.467 -3.620 2.848 1.00 0.00 O ATOM 1226 CB LEU A 88 1.675 -3.916 5.879 1.00 0.00 C ATOM 1227 CG LEU A 88 1.234 -2.775 6.796 1.00 0.00 C ATOM 1228 CD1 LEU A 88 -0.140 -3.061 7.382 1.00 0.00 C ATOM 1229 CD2 LEU A 88 2.254 -2.557 7.904 1.00 0.00 C ATOM 0 H LEU A 88 1.690 -5.823 3.740 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.149 -3.753 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.620 -4.849 6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.722 -3.762 5.618 1.00 0.00 H new ATOM 0 HG LEU A 88 1.170 -1.862 6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.437 -2.238 8.032 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.865 -3.166 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.104 -3.985 7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.924 -1.741 8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.350 -3.468 8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.220 -2.305 7.465 1.00 0.00 H new ATOM 1241 N ILE A 89 0.901 -2.056 3.258 1.00 0.00 N ATOM 1242 CA ILE A 89 1.390 -1.142 2.233 1.00 0.00 C ATOM 1243 C ILE A 89 1.568 0.266 2.791 1.00 0.00 C ATOM 1244 O ILE A 89 0.598 0.919 3.176 1.00 0.00 O ATOM 1245 CB ILE A 89 0.435 -1.087 1.026 1.00 0.00 C ATOM 1246 CG1 ILE A 89 0.005 -2.499 0.623 1.00 0.00 C ATOM 1247 CG2 ILE A 89 1.100 -0.376 -0.144 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -0.823 -2.541 -0.642 1.00 0.00 C ATOM 0 H ILE A 89 0.088 -1.717 3.773 1.00 0.00 H new ATOM 0 HA ILE A 89 2.356 -1.525 1.904 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.454 -0.524 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.893 -3.115 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.568 -2.942 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.413 -0.345 -0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.361 0.641 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.004 -0.914 -0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.092 -3.573 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.730 -1.952 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.245 -2.128 -1.469 1.00 0.00 H new ATOM 1260 N SER A 90 2.813 0.728 2.830 1.00 0.00 N ATOM 1261 CA SER A 90 3.119 2.058 3.343 1.00 0.00 C ATOM 1262 C SER A 90 3.512 3.001 2.209 1.00 0.00 C ATOM 1263 O SER A 90 4.328 2.656 1.354 1.00 0.00 O ATOM 1264 CB SER A 90 4.248 1.984 4.373 1.00 0.00 C ATOM 1265 OG SER A 90 3.746 1.651 5.656 1.00 0.00 O ATOM 0 H SER A 90 3.627 0.201 2.512 1.00 0.00 H new ATOM 0 HA SER A 90 2.223 2.449 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.981 1.240 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.766 2.942 4.419 1.00 0.00 H new ATOM 0 HG SER A 90 4.487 1.608 6.296 1.00 0.00 H new ATOM 1271 N VAL A 91 2.924 4.193 2.209 1.00 0.00 N ATOM 1272 CA VAL A 91 3.212 5.187 1.182 1.00 0.00 C ATOM 1273 C VAL A 91 3.734 6.480 1.799 1.00 0.00 C ATOM 1274 O VAL A 91 3.123 7.037 2.711 1.00 0.00 O ATOM 1275 CB VAL A 91 1.962 5.501 0.339 1.00 0.00 C ATOM 1276 CG1 VAL A 91 2.277 6.557 -0.710 1.00 0.00 C ATOM 1277 CG2 VAL A 91 1.427 4.235 -0.312 1.00 0.00 C ATOM 0 H VAL A 91 2.245 4.494 2.909 1.00 0.00 H new ATOM 0 HA VAL A 91 3.979 4.761 0.536 1.00 0.00 H new ATOM 0 HB VAL A 91 1.190 5.897 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.382 6.766 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.610 7.471 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.065 6.192 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.544 4.475 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.192 3.808 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.161 3.513 0.460 1.00 0.00 H new ATOM 1287 N LYS A 92 4.868 6.954 1.295 1.00 0.00 N ATOM 1288 CA LYS A 92 5.473 8.183 1.795 1.00 0.00 C ATOM 1289 C LYS A 92 5.653 9.197 0.670 1.00 0.00 C ATOM 1290 O LYS A 92 5.949 8.831 -0.468 1.00 0.00 O ATOM 1291 CB LYS A 92 6.825 7.882 2.446 1.00 0.00 C ATOM 1292 CG LYS A 92 6.719 7.458 3.900 1.00 0.00 C ATOM 1293 CD LYS A 92 8.090 7.313 4.540 1.00 0.00 C ATOM 1294 CE LYS A 92 8.044 6.398 5.754 1.00 0.00 C ATOM 1295 NZ LYS A 92 9.401 5.923 6.142 1.00 0.00 N ATOM 0 H LYS A 92 5.387 6.506 0.540 1.00 0.00 H new ATOM 0 HA LYS A 92 4.804 8.610 2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.323 7.093 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.456 8.768 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.134 8.193 4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.184 6.511 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.794 6.915 3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.460 8.294 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.592 6.929 6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.407 5.540 5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.327 5.302 6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.823 5.395 5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.002 6.740 6.372 1.00 0.00 H new ATOM 1309 N TYR A 93 5.473 10.472 0.995 1.00 0.00 N ATOM 1310 CA TYR A 93 5.615 11.539 0.011 1.00 0.00 C ATOM 1311 C TYR A 93 6.111 12.824 0.668 1.00 0.00 C ATOM 1312 O TYR A 93 5.604 13.238 1.710 1.00 0.00 O ATOM 1313 CB TYR A 93 4.280 11.795 -0.691 1.00 0.00 C ATOM 1314 CG TYR A 93 4.055 10.918 -1.902 1.00 0.00 C ATOM 1315 CD1 TYR A 93 3.515 9.644 -1.771 1.00 0.00 C ATOM 1316 CD2 TYR A 93 4.383 11.362 -3.177 1.00 0.00 C ATOM 1317 CE1 TYR A 93 3.309 8.839 -2.874 1.00 0.00 C ATOM 1318 CE2 TYR A 93 4.179 10.565 -4.286 1.00 0.00 C ATOM 1319 CZ TYR A 93 3.642 9.304 -4.130 1.00 0.00 C ATOM 1320 OH TYR A 93 3.438 8.506 -5.232 1.00 0.00 O ATOM 0 H TYR A 93 5.228 10.792 1.932 1.00 0.00 H new ATOM 0 HA TYR A 93 6.352 11.222 -0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.469 11.634 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.234 12.840 -0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.252 9.277 -0.790 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.805 12.348 -3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.890 7.851 -2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.438 10.927 -5.270 1.00 0.00 H new ATOM 0 HH TYR A 93 3.493 9.051 -6.045 1.00 0.00 H new ATOM 1330 N GLY A 94 7.107 13.451 0.049 1.00 0.00 N ATOM 1331 CA GLY A 94 7.656 14.682 0.587 1.00 0.00 C ATOM 1332 C GLY A 94 8.613 14.438 1.736 1.00 0.00 C ATOM 1333 O GLY A 94 9.797 14.760 1.647 1.00 0.00 O ATOM 0 H GLY A 94 7.543 13.129 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.175 15.221 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 94 6.841 15.321 0.927 1.00 0.00 H new ATOM 1337 N GLY A 95 8.098 13.866 2.821 1.00 0.00 N ATOM 1338 CA GLY A 95 8.929 13.590 3.979 1.00 0.00 C ATOM 1339 C GLY A 95 8.641 12.233 4.589 1.00 0.00 C ATOM 1340 O GLY A 95 8.105 11.336 3.936 1.00 0.00 O ATOM 0 H GLY A 95 7.121 13.589 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.979 13.639 3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.769 14.364 4.730 1.00 0.00 H new ATOM 1344 N PRO A 96 9.003 12.066 5.869 1.00 0.00 N ATOM 1345 CA PRO A 96 8.790 10.810 6.595 1.00 0.00 C ATOM 1346 C PRO A 96 7.315 10.545 6.875 1.00 0.00 C ATOM 1347 O PRO A 96 6.919 9.412 7.146 1.00 0.00 O ATOM 1348 CB PRO A 96 9.553 11.024 7.905 1.00 0.00 C ATOM 1349 CG PRO A 96 9.581 12.502 8.090 1.00 0.00 C ATOM 1350 CD PRO A 96 9.646 13.091 6.708 1.00 0.00 C ATOM 0 HA PRO A 96 9.130 9.946 6.024 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.054 10.530 8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.561 10.613 7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.692 12.846 8.619 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.443 12.805 8.684 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.120 14.044 6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.674 13.276 6.398 1.00 0.00 H new ATOM 1358 N ASN A 97 6.506 11.597 6.807 1.00 0.00 N ATOM 1359 CA ASN A 97 5.073 11.477 7.054 1.00 0.00 C ATOM 1360 C ASN A 97 4.415 10.580 6.009 1.00 0.00 C ATOM 1361 O ASN A 97 5.013 10.267 4.979 1.00 0.00 O ATOM 1362 CB ASN A 97 4.415 12.858 7.044 1.00 0.00 C ATOM 1363 CG ASN A 97 4.657 13.623 8.331 1.00 0.00 C ATOM 1364 OD1 ASN A 97 5.389 13.166 9.209 1.00 0.00 O ATOM 1365 ND2 ASN A 97 4.042 14.794 8.447 1.00 0.00 N ATOM 0 H ASN A 97 6.818 12.542 6.583 1.00 0.00 H new ATOM 0 HA ASN A 97 4.935 11.024 8.036 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.801 13.435 6.204 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.342 12.745 6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.167 15.355 9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.444 15.133 7.693 1.00 0.00 H new ATOM 1372 N HIS A 98 3.180 10.171 6.282 1.00 0.00 N ATOM 1373 CA HIS A 98 2.440 9.311 5.366 1.00 0.00 C ATOM 1374 C HIS A 98 1.271 10.065 4.738 1.00 0.00 C ATOM 1375 O HIS A 98 0.690 10.956 5.359 1.00 0.00 O ATOM 1376 CB HIS A 98 1.927 8.071 6.099 1.00 0.00 C ATOM 1377 CG HIS A 98 1.123 8.388 7.322 1.00 0.00 C ATOM 1378 ND1 HIS A 98 -0.252 8.499 7.311 1.00 0.00 N ATOM 1379 CD2 HIS A 98 1.507 8.615 8.600 1.00 0.00 C ATOM 1380 CE1 HIS A 98 -0.678 8.784 8.528 1.00 0.00 C ATOM 1381 NE2 HIS A 98 0.369 8.859 9.329 1.00 0.00 N ATOM 0 H HIS A 98 2.671 10.421 7.130 1.00 0.00 H new ATOM 0 HA HIS A 98 3.118 9.000 4.571 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.316 7.482 5.415 1.00 0.00 H new ATOM 0 HB3 HIS A 98 2.776 7.450 6.383 1.00 0.00 H new ATOM 0 HD2 HIS A 98 2.519 8.606 8.976 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -1.708 8.931 8.819 1.00 0.00 H new ATOM 0 HE2 HIS A 98 0.338 9.065 10.328 1.00 0.00 H new ATOM 1389 N ILE A 99 0.933 9.702 3.506 1.00 0.00 N ATOM 1390 CA ILE A 99 -0.166 10.344 2.796 1.00 0.00 C ATOM 1391 C ILE A 99 -1.513 9.946 3.391 1.00 0.00 C ATOM 1392 O ILE A 99 -1.592 9.047 4.228 1.00 0.00 O ATOM 1393 CB ILE A 99 -0.154 9.985 1.298 1.00 0.00 C ATOM 1394 CG1 ILE A 99 -0.455 8.498 1.105 1.00 0.00 C ATOM 1395 CG2 ILE A 99 1.188 10.345 0.678 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -1.033 8.169 -0.254 1.00 0.00 C ATOM 0 H ILE A 99 1.404 8.967 2.979 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.027 11.419 2.906 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.931 10.561 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.463 7.928 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.154 8.174 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.181 10.085 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.364 11.415 0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.981 9.793 1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.221 7.097 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.969 8.711 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.326 8.461 -1.030 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.570 10.622 2.953 1.00 0.00 N ATOM 1409 CA VAL A 100 -3.915 10.338 3.440 1.00 0.00 C ATOM 1410 C VAL A 100 -4.293 8.882 3.190 1.00 0.00 C ATOM 1411 O VAL A 100 -4.016 8.332 2.125 1.00 0.00 O ATOM 1412 CB VAL A 100 -4.959 11.251 2.771 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -6.359 10.685 2.954 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -4.868 12.663 3.329 1.00 0.00 C ATOM 0 H VAL A 100 -2.521 11.370 2.262 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.911 10.530 4.513 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.747 11.294 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.083 11.344 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.413 9.695 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.585 10.610 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.613 13.294 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.053 12.642 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.873 13.066 3.140 1.00 0.00 H new ATOM 1424 N GLY A 101 -4.930 8.264 4.180 1.00 0.00 N ATOM 1425 CA GLY A 101 -5.338 6.877 4.048 1.00 0.00 C ATOM 1426 C GLY A 101 -4.275 5.912 4.534 1.00 0.00 C ATOM 1427 O GLY A 101 -4.551 5.036 5.355 1.00 0.00 O ATOM 0 H GLY A 101 -5.171 8.699 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.256 6.716 4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.566 6.666 3.003 1.00 0.00 H new ATOM 1431 N SER A 102 -3.057 6.070 4.027 1.00 0.00 N ATOM 1432 CA SER A 102 -1.950 5.202 4.411 1.00 0.00 C ATOM 1433 C SER A 102 -1.715 5.256 5.917 1.00 0.00 C ATOM 1434 O SER A 102 -1.970 6.264 6.576 1.00 0.00 O ATOM 1435 CB SER A 102 -0.675 5.607 3.669 1.00 0.00 C ATOM 1436 OG SER A 102 0.480 5.223 4.394 1.00 0.00 O ATOM 0 H SER A 102 -2.811 6.791 3.349 1.00 0.00 H new ATOM 0 HA SER A 102 -2.211 4.179 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.661 5.142 2.683 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.668 6.686 3.513 1.00 0.00 H new ATOM 0 HG SER A 102 1.245 5.759 4.099 1.00 0.00 H new ATOM 1442 N PRO A 103 -1.215 4.144 6.477 1.00 0.00 N ATOM 1443 CA PRO A 103 -0.908 2.937 5.704 1.00 0.00 C ATOM 1444 C PRO A 103 -2.164 2.236 5.200 1.00 0.00 C ATOM 1445 O PRO A 103 -3.240 2.375 5.781 1.00 0.00 O ATOM 1446 CB PRO A 103 -0.167 2.051 6.709 1.00 0.00 C ATOM 1447 CG PRO A 103 -0.652 2.505 8.043 1.00 0.00 C ATOM 1448 CD PRO A 103 -0.913 3.980 7.909 1.00 0.00 C ATOM 0 HA PRO A 103 -0.331 3.163 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.388 0.996 6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.913 2.168 6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.559 1.973 8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.091 2.309 8.816 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.747 4.299 8.535 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.046 4.570 8.207 1.00 0.00 H new ATOM 1456 N PHE A 104 -2.020 1.482 4.115 1.00 0.00 N ATOM 1457 CA PHE A 104 -3.144 0.759 3.532 1.00 0.00 C ATOM 1458 C PHE A 104 -3.058 -0.730 3.853 1.00 0.00 C ATOM 1459 O PHE A 104 -2.064 -1.387 3.545 1.00 0.00 O ATOM 1460 CB PHE A 104 -3.179 0.964 2.016 1.00 0.00 C ATOM 1461 CG PHE A 104 -3.170 2.409 1.607 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -4.328 3.169 1.671 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -2.005 3.009 1.158 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -4.322 4.498 1.294 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -1.993 4.338 0.780 1.00 0.00 C ATOM 1466 CZ PHE A 104 -3.153 5.084 0.849 1.00 0.00 C ATOM 0 H PHE A 104 -1.136 1.356 3.622 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.062 1.154 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.320 0.463 1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.072 0.486 1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.245 2.717 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.095 2.431 1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.231 5.079 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.078 4.793 0.431 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.146 6.123 0.556 1.00 0.00 H new ATOM 1476 N LYS A 105 -4.108 -1.257 4.474 1.00 0.00 N ATOM 1477 CA LYS A 105 -4.154 -2.668 4.837 1.00 0.00 C ATOM 1478 C LYS A 105 -5.051 -3.448 3.880 1.00 0.00 C ATOM 1479 O LYS A 105 -6.185 -3.049 3.614 1.00 0.00 O ATOM 1480 CB LYS A 105 -4.660 -2.831 6.272 1.00 0.00 C ATOM 1481 CG LYS A 105 -6.011 -2.183 6.518 1.00 0.00 C ATOM 1482 CD LYS A 105 -6.423 -2.289 7.977 1.00 0.00 C ATOM 1483 CE LYS A 105 -5.704 -1.259 8.836 1.00 0.00 C ATOM 1484 NZ LYS A 105 -5.663 -1.664 10.268 1.00 0.00 N ATOM 0 H LYS A 105 -4.939 -0.727 4.736 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.142 -3.068 4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.728 -3.893 6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.930 -2.400 6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.971 -1.134 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.764 -2.660 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.500 -2.148 8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.202 -3.290 8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.687 -1.124 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.206 -0.296 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.165 -0.937 10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.633 -1.768 10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.162 -2.571 10.358 1.00 0.00 H new ATOM 1498 N ALA A 106 -4.536 -4.560 3.367 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.292 -5.396 2.443 1.00 0.00 C ATOM 1500 C ALA A 106 -5.343 -6.841 2.927 1.00 0.00 C ATOM 1501 O ALA A 106 -4.360 -7.368 3.448 1.00 0.00 O ATOM 1502 CB ALA A 106 -4.684 -5.326 1.050 1.00 0.00 C ATOM 0 H ALA A 106 -3.598 -4.903 3.576 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.313 -5.017 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.259 -5.955 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.704 -4.295 0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.653 -5.677 1.085 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.497 -7.478 2.752 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.677 -8.863 3.171 1.00 0.00 C ATOM 1510 C LYS A 107 -6.623 -9.805 1.972 1.00 0.00 C ATOM 1511 O LYS A 107 -7.380 -9.651 1.014 1.00 0.00 O ATOM 1512 CB LYS A 107 -8.012 -9.027 3.901 1.00 0.00 C ATOM 1513 CG LYS A 107 -8.321 -10.462 4.290 1.00 0.00 C ATOM 1514 CD LYS A 107 -9.252 -10.527 5.489 1.00 0.00 C ATOM 1515 CE LYS A 107 -9.097 -11.838 6.245 1.00 0.00 C ATOM 1516 NZ LYS A 107 -10.229 -12.075 7.182 1.00 0.00 N ATOM 0 H LYS A 107 -7.321 -7.057 2.323 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.864 -9.120 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.003 -8.410 4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.813 -8.652 3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.777 -10.979 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.393 -10.985 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.043 -9.693 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.284 -10.418 5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.035 -12.662 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.160 -11.827 6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.086 -12.978 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.273 -11.302 7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.120 -12.111 6.647 1.00 0.00 H new ATOM 1530 N VAL A 108 -5.723 -10.782 2.033 1.00 0.00 N ATOM 1531 CA VAL A 108 -5.572 -11.750 0.954 1.00 0.00 C ATOM 1532 C VAL A 108 -6.146 -13.106 1.348 1.00 0.00 C ATOM 1533 O VAL A 108 -5.626 -13.778 2.241 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.093 -11.925 0.560 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -3.979 -12.592 -0.802 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.378 -10.583 0.568 1.00 0.00 C ATOM 0 H VAL A 108 -5.088 -10.923 2.818 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.124 -11.360 0.099 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.612 -12.571 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.927 -12.707 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.454 -13.572 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.474 -11.975 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.334 -10.725 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.857 -9.911 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.429 -10.149 1.567 1.00 0.00 H new ATOM 1546 N THR A 109 -7.221 -13.506 0.676 1.00 0.00 N ATOM 1547 CA THR A 109 -7.867 -14.782 0.957 1.00 0.00 C ATOM 1548 C THR A 109 -8.384 -15.429 -0.323 1.00 0.00 C ATOM 1549 O THR A 109 -8.748 -14.740 -1.275 1.00 0.00 O ATOM 1550 CB THR A 109 -9.037 -14.615 1.944 1.00 0.00 C ATOM 1551 OG1 THR A 109 -10.005 -13.706 1.407 1.00 0.00 O ATOM 1552 CG2 THR A 109 -8.543 -14.101 3.288 1.00 0.00 C ATOM 0 H THR A 109 -7.663 -12.964 -0.067 1.00 0.00 H new ATOM 0 HA THR A 109 -7.112 -15.426 1.408 1.00 0.00 H new ATOM 0 HB THR A 109 -9.499 -15.591 2.094 1.00 0.00 H new ATOM 0 HG1 THR A 109 -10.747 -13.606 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.388 -13.991 3.968 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.828 -14.809 3.708 1.00 0.00 H new ATOM 0 HG23 THR A 109 -8.059 -13.134 3.152 1.00 0.00 H new ATOM 1560 N GLY A 110 -8.415 -16.758 -0.338 1.00 0.00 N ATOM 1561 CA GLY A 110 -8.891 -17.476 -1.506 1.00 0.00 C ATOM 1562 C GLY A 110 -7.764 -17.887 -2.433 1.00 0.00 C ATOM 1563 O GLY A 110 -6.636 -17.416 -2.294 1.00 0.00 O ATOM 0 H GLY A 110 -8.119 -17.350 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.436 -18.364 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.596 -16.849 -2.052 1.00 0.00 H new ATOM 1567 N GLN A 111 -8.070 -18.769 -3.379 1.00 0.00 N ATOM 1568 CA GLN A 111 -7.072 -19.245 -4.330 1.00 0.00 C ATOM 1569 C GLN A 111 -5.690 -19.298 -3.688 1.00 0.00 C ATOM 1570 O GLN A 111 -4.715 -18.795 -4.248 1.00 0.00 O ATOM 1571 CB GLN A 111 -7.040 -18.340 -5.564 1.00 0.00 C ATOM 1572 CG GLN A 111 -8.408 -18.112 -6.186 1.00 0.00 C ATOM 1573 CD GLN A 111 -8.991 -19.374 -6.792 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -8.286 -20.148 -7.440 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -10.285 -19.587 -6.585 1.00 0.00 N ATOM 0 H GLN A 111 -9.000 -19.168 -3.507 1.00 0.00 H new ATOM 0 HA GLN A 111 -7.350 -20.254 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -6.611 -17.377 -5.287 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -6.379 -18.781 -6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.089 -17.730 -5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -8.329 -17.346 -6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -10.831 -18.919 -6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.733 -20.419 -6.969 1.00 0.00 H new ATOM 1584 N ARG A 112 -5.612 -19.910 -2.511 1.00 0.00 N ATOM 1585 CA ARG A 112 -4.349 -20.028 -1.793 1.00 0.00 C ATOM 1586 C ARG A 112 -3.380 -20.936 -2.542 1.00 0.00 C ATOM 1587 O ARG A 112 -3.483 -22.162 -2.475 1.00 0.00 O ATOM 1588 CB ARG A 112 -4.589 -20.572 -0.383 1.00 0.00 C ATOM 1589 CG ARG A 112 -5.472 -21.808 -0.349 1.00 0.00 C ATOM 1590 CD ARG A 112 -5.140 -22.698 0.838 1.00 0.00 C ATOM 1591 NE ARG A 112 -5.945 -23.917 0.851 1.00 0.00 N ATOM 1592 CZ ARG A 112 -6.039 -24.724 1.901 1.00 0.00 C ATOM 1593 NH1 ARG A 112 -5.382 -24.444 3.018 1.00 0.00 N ATOM 1594 NH2 ARG A 112 -6.791 -25.815 1.836 1.00 0.00 N ATOM 0 H ARG A 112 -6.409 -20.332 -2.034 1.00 0.00 H new ATOM 0 HA ARG A 112 -3.906 -19.035 -1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.628 -20.810 0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.047 -19.792 0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -6.518 -21.507 -0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.347 -22.371 -1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.083 -22.962 0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.305 -22.145 1.763 1.00 0.00 H new ATOM 0 HE ARG A 112 -6.463 -24.162 0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -4.802 -23.607 3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -5.456 -25.066 3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -7.298 -26.035 0.979 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -6.862 -26.434 2.643 1.00 0.00 H new ATOM 1608 N LEU A 113 -2.439 -20.328 -3.256 1.00 0.00 N ATOM 1609 CA LEU A 113 -1.450 -21.082 -4.019 1.00 0.00 C ATOM 1610 C LEU A 113 -0.308 -21.547 -3.121 1.00 0.00 C ATOM 1611 O LEU A 113 0.835 -21.120 -3.282 1.00 0.00 O ATOM 1612 CB LEU A 113 -0.900 -20.228 -5.162 1.00 0.00 C ATOM 1613 CG LEU A 113 -1.916 -19.349 -5.893 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -1.247 -18.094 -6.431 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -2.579 -20.127 -7.021 1.00 0.00 C ATOM 0 H LEU A 113 -2.340 -19.315 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 113 -1.942 -21.962 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.114 -19.586 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.432 -20.890 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.686 -19.049 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.985 -17.481 -6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.819 -17.527 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.456 -18.373 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.299 -19.487 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.820 -20.456 -7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.093 -20.996 -6.610 1.00 0.00 H new