USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 TYR OH : rot 47:sc= 1.11 USER MOD Single : A 7 ASN : amide:sc= -2.22 K(o=-2.2,f=-7.4!) USER MOD Single : A 19 MET CE :methyl -168:sc= -0.05 (180deg=-0.461) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc=-0.00932 (180deg=-0.22) USER MOD Single : A 24 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.012) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -5.72! C(o=-5.7!,f=-8!) USER MOD Single : A 29 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 121:sc= 0.837 USER MOD Single : A 36 ASN : amide:sc=-0.00344 X(o=-0.0034,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 142:sc= -2.4! USER MOD Single : A 54 SER OG : rot 132:sc= 0.736 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0051 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.816 K(o=-0.82,f=-0.0057) USER MOD Single : A 65 GLN : amide:sc= -1.09 X(o=-1.1,f=-1) USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.118) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= -1.22 (180deg=-1.22) USER MOD Single : A 81 LYS NZ :NH3+ -161:sc= -0.0704 (180deg=-0.477) USER MOD Single : A 84 LYS NZ :NH3+ -114:sc= -1.07 (180deg=-3.08!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N CYS A 2 6.039 -2.811 3.099 1.00 0.00 N ATOM 13 CA CYS A 2 6.735 -4.058 2.770 1.00 0.00 C ATOM 14 C CYS A 2 6.951 -4.911 4.024 1.00 0.00 C ATOM 15 O CYS A 2 7.872 -4.673 4.804 1.00 0.00 O ATOM 16 CB CYS A 2 8.075 -3.725 2.081 1.00 0.00 C ATOM 17 SG CYS A 2 8.034 -4.206 0.330 1.00 0.00 S ATOM 0 HA CYS A 2 6.121 -4.643 2.085 1.00 0.00 H new ATOM 0 HB2 CYS A 2 8.277 -2.657 2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.889 -4.245 2.587 1.00 0.00 H new ATOM 22 N TYR A 3 6.089 -5.914 4.197 1.00 0.00 N ATOM 23 CA TYR A 3 6.166 -6.822 5.350 1.00 0.00 C ATOM 24 C TYR A 3 5.985 -8.265 4.901 1.00 0.00 C ATOM 25 O TYR A 3 5.803 -8.537 3.714 1.00 0.00 O ATOM 26 CB TYR A 3 5.093 -6.469 6.383 1.00 0.00 C ATOM 27 CG TYR A 3 3.731 -6.489 5.736 1.00 0.00 C ATOM 28 CD1 TYR A 3 3.232 -5.328 5.138 1.00 0.00 C ATOM 29 CD2 TYR A 3 2.963 -7.665 5.736 1.00 0.00 C ATOM 30 CE1 TYR A 3 1.970 -5.335 4.539 1.00 0.00 C ATOM 31 CE2 TYR A 3 1.698 -7.669 5.135 1.00 0.00 C ATOM 32 CZ TYR A 3 1.202 -6.506 4.537 1.00 0.00 C ATOM 33 OH TYR A 3 -0.044 -6.513 3.946 1.00 0.00 O ATOM 0 H TYR A 3 5.326 -6.121 3.553 1.00 0.00 H new ATOM 0 HA TYR A 3 7.150 -6.710 5.806 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.123 -7.180 7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.291 -5.483 6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.823 -4.424 5.139 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.347 -8.563 6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.587 -4.437 4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.105 -8.571 5.133 1.00 0.00 H new ATOM 0 HH TYR A 3 0.009 -6.085 3.066 1.00 0.00 H new ATOM 43 N PHE A 4 6.055 -9.193 5.857 1.00 0.00 N ATOM 44 CA PHE A 4 5.917 -10.621 5.549 1.00 0.00 C ATOM 45 C PHE A 4 4.862 -11.295 6.421 1.00 0.00 C ATOM 46 O PHE A 4 4.777 -11.049 7.623 1.00 0.00 O ATOM 47 CB PHE A 4 7.256 -11.316 5.782 1.00 0.00 C ATOM 48 CG PHE A 4 8.257 -10.842 4.764 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.325 -11.468 3.515 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.118 -9.782 5.066 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.258 -11.034 2.568 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.049 -9.346 4.120 1.00 0.00 C ATOM 53 CZ PHE A 4 10.121 -9.973 2.869 1.00 0.00 C ATOM 0 H PHE A 4 6.205 -8.986 6.844 1.00 0.00 H new ATOM 0 HA PHE A 4 5.605 -10.706 4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.617 -11.103 6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 4 7.133 -12.397 5.710 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.658 -12.285 3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.063 -9.300 6.031 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.313 -11.517 1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.713 -8.526 4.353 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.842 -9.638 2.137 1.00 0.00 H new ATOM 63 N ILE A 5 4.069 -12.169 5.795 1.00 0.00 N ATOM 64 CA ILE A 5 3.023 -12.919 6.488 1.00 0.00 C ATOM 65 C ILE A 5 3.271 -14.426 6.275 1.00 0.00 C ATOM 66 O ILE A 5 3.094 -14.919 5.161 1.00 0.00 O ATOM 67 CB ILE A 5 1.645 -12.527 5.909 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.172 -11.181 6.498 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.598 -13.605 6.213 1.00 0.00 C ATOM 70 CD1 ILE A 5 0.979 -11.261 8.022 1.00 0.00 C ATOM 0 H ILE A 5 4.135 -12.375 4.798 1.00 0.00 H new ATOM 0 HA ILE A 5 3.040 -12.692 7.554 1.00 0.00 H new ATOM 0 HB ILE A 5 1.755 -12.431 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.901 -10.405 6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.233 -10.888 6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.364 -13.306 5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.909 -14.550 5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.503 -13.726 7.292 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.646 -10.294 8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.230 -12.018 8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.924 -11.528 8.495 1.00 0.00 H new ATOM 82 N PRO A 6 3.678 -15.171 7.285 1.00 0.00 N ATOM 83 CA PRO A 6 3.933 -16.631 7.115 1.00 0.00 C ATOM 84 C PRO A 6 2.641 -17.436 7.031 1.00 0.00 C ATOM 85 O PRO A 6 1.719 -17.207 7.807 1.00 0.00 O ATOM 86 CB PRO A 6 4.742 -17.015 8.365 1.00 0.00 C ATOM 87 CG PRO A 6 4.362 -16.010 9.410 1.00 0.00 C ATOM 88 CD PRO A 6 3.936 -14.730 8.672 1.00 0.00 C ATOM 0 HA PRO A 6 4.458 -16.845 6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.505 -18.028 8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.813 -16.987 8.164 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.548 -16.387 10.029 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.202 -15.810 10.075 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.045 -14.291 9.121 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.718 -13.972 8.708 1.00 0.00 H new ATOM 96 N ASN A 7 2.595 -18.369 6.079 1.00 0.00 N ATOM 97 CA ASN A 7 1.416 -19.211 5.887 1.00 0.00 C ATOM 98 C ASN A 7 1.115 -20.005 7.155 1.00 0.00 C ATOM 99 O ASN A 7 1.158 -21.237 7.161 1.00 0.00 O ATOM 100 CB ASN A 7 1.644 -20.173 4.716 1.00 0.00 C ATOM 101 CG ASN A 7 1.535 -19.425 3.390 1.00 0.00 C ATOM 102 OD1 ASN A 7 2.406 -19.554 2.530 1.00 0.00 O ATOM 103 ND2 ASN A 7 0.507 -18.651 3.171 1.00 0.00 N ATOM 0 H ASN A 7 3.359 -18.560 5.431 1.00 0.00 H new ATOM 0 HA ASN A 7 0.564 -18.569 5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.628 -20.635 4.802 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.910 -20.978 4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.424 -18.151 2.286 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.214 -18.546 3.885 1.00 0.00 H new ATOM 252 N CYS A 18 -2.719 -19.223 0.318 1.00 0.00 N ATOM 253 CA CYS A 18 -2.498 -17.822 -0.051 1.00 0.00 C ATOM 254 C CYS A 18 -3.554 -17.353 -1.051 1.00 0.00 C ATOM 255 O CYS A 18 -3.316 -17.341 -2.260 1.00 0.00 O ATOM 256 CB CYS A 18 -1.099 -17.639 -0.656 1.00 0.00 C ATOM 257 SG CYS A 18 -0.933 -18.640 -2.155 1.00 0.00 S ATOM 0 HA CYS A 18 -2.577 -17.220 0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.931 -16.588 -0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.340 -17.929 0.070 1.00 0.00 H new ATOM 262 N MET A 19 -4.721 -16.966 -0.534 1.00 0.00 N ATOM 263 CA MET A 19 -5.825 -16.490 -1.376 1.00 0.00 C ATOM 264 C MET A 19 -6.233 -15.082 -0.956 1.00 0.00 C ATOM 265 O MET A 19 -6.349 -14.789 0.234 1.00 0.00 O ATOM 266 CB MET A 19 -7.024 -17.432 -1.237 1.00 0.00 C ATOM 267 CG MET A 19 -8.141 -16.986 -2.186 1.00 0.00 C ATOM 268 SD MET A 19 -9.532 -18.143 -2.067 1.00 0.00 S ATOM 269 CE MET A 19 -9.172 -19.110 -3.555 1.00 0.00 C ATOM 0 H MET A 19 -4.928 -16.972 0.465 1.00 0.00 H new ATOM 0 HA MET A 19 -5.495 -16.472 -2.415 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.724 -18.455 -1.467 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.384 -17.429 -0.208 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.469 -15.978 -1.931 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.770 -16.950 -3.210 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.025 -19.746 -3.791 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.980 -18.436 -4.389 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.294 -19.732 -3.381 1.00 0.00 H new ATOM 279 N ASP A 20 -6.445 -14.213 -1.939 1.00 0.00 N ATOM 280 CA ASP A 20 -6.836 -12.837 -1.657 1.00 0.00 C ATOM 281 C ASP A 20 -8.327 -12.745 -1.349 1.00 0.00 C ATOM 282 O ASP A 20 -9.070 -13.714 -1.509 1.00 0.00 O ATOM 283 CB ASP A 20 -6.498 -11.941 -2.850 1.00 0.00 C ATOM 284 CG ASP A 20 -6.715 -10.479 -2.474 1.00 0.00 C ATOM 285 OD1 ASP A 20 -6.744 -10.191 -1.289 1.00 0.00 O ATOM 286 OD2 ASP A 20 -6.848 -9.668 -3.376 1.00 0.00 O ATOM 0 H ASP A 20 -6.354 -14.435 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.282 -12.499 -0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.463 -12.098 -3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.124 -12.204 -3.703 1.00 0.00 H new ATOM 291 N LEU A 21 -8.750 -11.573 -0.891 1.00 0.00 N ATOM 292 CA LEU A 21 -10.148 -11.344 -0.543 1.00 0.00 C ATOM 293 C LEU A 21 -11.060 -11.513 -1.756 1.00 0.00 C ATOM 294 O LEU A 21 -12.264 -11.722 -1.611 1.00 0.00 O ATOM 295 CB LEU A 21 -10.316 -9.929 0.032 1.00 0.00 C ATOM 296 CG LEU A 21 -11.617 -9.840 0.859 1.00 0.00 C ATOM 297 CD1 LEU A 21 -11.380 -10.333 2.292 1.00 0.00 C ATOM 298 CD2 LEU A 21 -12.090 -8.385 0.914 1.00 0.00 C ATOM 0 H LEU A 21 -8.144 -10.765 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.433 -12.085 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.460 -9.680 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.341 -9.200 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.371 -10.466 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.308 -10.263 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.046 -11.370 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.617 -9.717 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.008 -8.323 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.321 -7.770 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.278 -8.025 -0.098 1.00 0.00 H new ATOM 310 N LYS A 22 -10.484 -11.432 -2.948 1.00 0.00 N ATOM 311 CA LYS A 22 -11.264 -11.585 -4.171 1.00 0.00 C ATOM 312 C LYS A 22 -11.840 -12.994 -4.265 1.00 0.00 C ATOM 313 O LYS A 22 -12.965 -13.185 -4.727 1.00 0.00 O ATOM 314 CB LYS A 22 -10.385 -11.314 -5.397 1.00 0.00 C ATOM 315 CG LYS A 22 -9.833 -9.881 -5.359 1.00 0.00 C ATOM 316 CD LYS A 22 -10.962 -8.858 -5.559 1.00 0.00 C ATOM 317 CE LYS A 22 -10.363 -7.509 -5.969 1.00 0.00 C ATOM 318 NZ LYS A 22 -9.938 -7.564 -7.396 1.00 0.00 N ATOM 0 H LYS A 22 -9.489 -11.263 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.082 -10.866 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.561 -12.027 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.966 -11.462 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.338 -9.702 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.080 -9.755 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.653 -9.209 -6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.535 -8.749 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.097 -6.716 -5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.510 -7.270 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.837 -6.597 -7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.026 -8.059 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.653 -8.075 -7.952 1.00 0.00 H new ATOM 332 N GLY A 23 -11.051 -13.981 -3.841 1.00 0.00 N ATOM 333 CA GLY A 23 -11.470 -15.384 -3.894 1.00 0.00 C ATOM 334 C GLY A 23 -10.713 -16.106 -5.002 1.00 0.00 C ATOM 335 O GLY A 23 -10.996 -17.258 -5.326 1.00 0.00 O ATOM 0 H GLY A 23 -10.117 -13.836 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.279 -15.867 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.543 -15.446 -4.074 1.00 0.00 H new ATOM 339 N ASN A 24 -9.751 -15.395 -5.585 1.00 0.00 N ATOM 340 CA ASN A 24 -8.939 -15.938 -6.672 1.00 0.00 C ATOM 341 C ASN A 24 -7.654 -16.560 -6.136 1.00 0.00 C ATOM 342 O ASN A 24 -7.010 -16.010 -5.240 1.00 0.00 O ATOM 343 CB ASN A 24 -8.595 -14.823 -7.659 1.00 0.00 C ATOM 344 CG ASN A 24 -9.865 -14.305 -8.329 1.00 0.00 C ATOM 345 OD1 ASN A 24 -9.901 -13.165 -8.791 1.00 0.00 O ATOM 346 ND2 ASN A 24 -10.916 -15.076 -8.412 1.00 0.00 N ATOM 0 H ASN A 24 -9.514 -14.438 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.513 -16.715 -7.176 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.091 -14.009 -7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.902 -15.196 -8.414 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.766 -14.733 -8.860 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.887 -16.021 -8.029 1.00 0.00 H new ATOM 353 N LYS A 25 -7.286 -17.709 -6.695 1.00 0.00 N ATOM 354 CA LYS A 25 -6.074 -18.405 -6.276 1.00 0.00 C ATOM 355 C LYS A 25 -4.848 -17.767 -6.919 1.00 0.00 C ATOM 356 O LYS A 25 -4.965 -17.003 -7.875 1.00 0.00 O ATOM 357 CB LYS A 25 -6.150 -19.879 -6.674 1.00 0.00 C ATOM 358 CG LYS A 25 -6.506 -19.991 -8.159 1.00 0.00 C ATOM 359 CD LYS A 25 -6.247 -21.420 -8.643 1.00 0.00 C ATOM 360 CE LYS A 25 -7.144 -22.395 -7.880 1.00 0.00 C ATOM 361 NZ LYS A 25 -7.196 -23.693 -8.609 1.00 0.00 N ATOM 0 H LYS A 25 -7.808 -18.176 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.989 -18.328 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.195 -20.368 -6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.899 -20.391 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.553 -19.728 -8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.911 -19.286 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.443 -21.493 -9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.199 -21.681 -8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.760 -22.547 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.147 -21.981 -7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.806 -24.358 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.581 -23.540 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.237 -24.089 -8.683 1.00 0.00 H new ATOM 375 N HIS A 26 -3.671 -18.085 -6.385 1.00 0.00 N ATOM 376 CA HIS A 26 -2.422 -17.533 -6.912 1.00 0.00 C ATOM 377 C HIS A 26 -1.268 -18.522 -6.717 1.00 0.00 C ATOM 378 O HIS A 26 -0.620 -18.516 -5.670 1.00 0.00 O ATOM 379 CB HIS A 26 -2.091 -16.230 -6.185 1.00 0.00 C ATOM 380 CG HIS A 26 -3.311 -15.352 -6.139 1.00 0.00 C ATOM 381 ND1 HIS A 26 -3.937 -14.893 -7.287 1.00 0.00 N ATOM 382 CD2 HIS A 26 -4.033 -14.842 -5.087 1.00 0.00 C ATOM 383 CE1 HIS A 26 -4.986 -14.142 -6.903 1.00 0.00 C ATOM 384 NE2 HIS A 26 -5.089 -14.078 -5.574 1.00 0.00 N ATOM 0 H HIS A 26 -3.554 -18.717 -5.593 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.551 -17.345 -7.978 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.747 -16.444 -5.173 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -1.278 -15.714 -6.696 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.814 -15.009 -4.043 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -5.662 -13.651 -7.587 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.792 -13.576 -5.031 1.00 0.00 H new ATOM 393 N PRO A 27 -0.988 -19.359 -7.687 1.00 0.00 N ATOM 394 CA PRO A 27 0.127 -20.350 -7.589 1.00 0.00 C ATOM 395 C PRO A 27 1.448 -19.679 -7.219 1.00 0.00 C ATOM 396 O PRO A 27 1.510 -18.459 -7.073 1.00 0.00 O ATOM 397 CB PRO A 27 0.186 -20.977 -8.992 1.00 0.00 C ATOM 398 CG PRO A 27 -1.185 -20.785 -9.555 1.00 0.00 C ATOM 399 CD PRO A 27 -1.691 -19.464 -8.979 1.00 0.00 C ATOM 0 HA PRO A 27 -0.041 -21.089 -6.806 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.939 -20.490 -9.611 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.449 -22.034 -8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.159 -20.752 -10.644 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.841 -21.610 -9.276 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.455 -18.625 -9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.773 -19.472 -8.848 1.00 0.00 H new ATOM 407 N ILE A 28 2.500 -20.469 -7.077 1.00 0.00 N ATOM 408 CA ILE A 28 3.800 -19.914 -6.734 1.00 0.00 C ATOM 409 C ILE A 28 4.310 -19.049 -7.879 1.00 0.00 C ATOM 410 O ILE A 28 4.114 -19.382 -9.045 1.00 0.00 O ATOM 411 CB ILE A 28 4.805 -21.033 -6.460 1.00 0.00 C ATOM 412 CG1 ILE A 28 4.273 -21.968 -5.361 1.00 0.00 C ATOM 413 CG2 ILE A 28 6.140 -20.423 -6.027 1.00 0.00 C ATOM 414 CD1 ILE A 28 3.970 -21.189 -4.070 1.00 0.00 C ATOM 0 H ILE A 28 2.482 -21.482 -7.192 1.00 0.00 H new ATOM 0 HA ILE A 28 3.690 -19.307 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 28 4.951 -21.614 -7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.368 -22.466 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.007 -22.747 -5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.858 -21.220 -5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.520 -19.779 -6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.994 -19.835 -5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.595 -21.875 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.882 -20.712 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.218 -20.427 -4.273 1.00 0.00 H new ATOM 426 N ASN A 29 4.963 -17.943 -7.531 1.00 0.00 N ATOM 427 CA ASN A 29 5.510 -17.021 -8.524 1.00 0.00 C ATOM 428 C ASN A 29 4.410 -16.174 -9.159 1.00 0.00 C ATOM 429 O ASN A 29 4.682 -15.341 -10.024 1.00 0.00 O ATOM 430 CB ASN A 29 6.264 -17.789 -9.622 1.00 0.00 C ATOM 431 CG ASN A 29 7.254 -16.864 -10.328 1.00 0.00 C ATOM 432 OD1 ASN A 29 7.096 -15.642 -10.289 1.00 0.00 O ATOM 433 ND2 ASN A 29 8.267 -17.374 -10.971 1.00 0.00 N ATOM 0 H ASN A 29 5.127 -17.662 -6.564 1.00 0.00 H new ATOM 0 HA ASN A 29 6.205 -16.360 -8.006 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.794 -18.636 -9.185 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.556 -18.195 -10.344 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.932 -16.762 -11.444 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.395 -18.385 -11.001 1.00 0.00 H new ATOM 440 N SER A 30 3.168 -16.367 -8.715 1.00 0.00 N ATOM 441 CA SER A 30 2.045 -15.588 -9.245 1.00 0.00 C ATOM 442 C SER A 30 1.739 -14.436 -8.299 1.00 0.00 C ATOM 443 O SER A 30 1.583 -14.635 -7.096 1.00 0.00 O ATOM 444 CB SER A 30 0.800 -16.465 -9.395 1.00 0.00 C ATOM 445 OG SER A 30 -0.255 -15.686 -9.944 1.00 0.00 O ATOM 0 H SER A 30 2.914 -17.047 -7.998 1.00 0.00 H new ATOM 0 HA SER A 30 2.321 -15.203 -10.227 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.015 -17.316 -10.042 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.505 -16.868 -8.426 1.00 0.00 H new ATOM 0 HG SER A 30 -1.055 -16.243 -10.044 1.00 0.00 H new ATOM 451 N GLU A 31 1.657 -13.226 -8.849 1.00 0.00 N ATOM 452 CA GLU A 31 1.372 -12.037 -8.043 1.00 0.00 C ATOM 453 C GLU A 31 -0.021 -11.513 -8.367 1.00 0.00 C ATOM 454 O GLU A 31 -0.496 -11.647 -9.494 1.00 0.00 O ATOM 455 CB GLU A 31 2.405 -10.948 -8.335 1.00 0.00 C ATOM 456 CG GLU A 31 3.798 -11.451 -7.958 1.00 0.00 C ATOM 457 CD GLU A 31 4.841 -10.389 -8.282 1.00 0.00 C ATOM 458 OE1 GLU A 31 4.453 -9.330 -8.745 1.00 0.00 O ATOM 459 OE2 GLU A 31 6.012 -10.651 -8.065 1.00 0.00 O ATOM 0 H GLU A 31 1.783 -13.042 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 31 1.421 -12.307 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.377 -10.680 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.168 -10.046 -7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.831 -11.693 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.021 -12.369 -8.501 1.00 0.00 H new ATOM 466 N TRP A 32 -0.677 -10.921 -7.372 1.00 0.00 N ATOM 467 CA TRP A 32 -2.025 -10.385 -7.563 1.00 0.00 C ATOM 468 C TRP A 32 -2.198 -9.076 -6.803 1.00 0.00 C ATOM 469 O TRP A 32 -1.578 -8.861 -5.761 1.00 0.00 O ATOM 470 CB TRP A 32 -3.054 -11.401 -7.067 1.00 0.00 C ATOM 471 CG TRP A 32 -2.859 -11.631 -5.602 1.00 0.00 C ATOM 472 CD1 TRP A 32 -3.574 -11.037 -4.619 1.00 0.00 C ATOM 473 CD2 TRP A 32 -1.898 -12.504 -4.941 1.00 0.00 C ATOM 474 NE1 TRP A 32 -3.110 -11.489 -3.396 1.00 0.00 N ATOM 475 CE2 TRP A 32 -2.077 -12.397 -3.542 1.00 0.00 C ATOM 476 CE3 TRP A 32 -0.897 -13.366 -5.419 1.00 0.00 C ATOM 477 CZ2 TRP A 32 -1.292 -13.125 -2.645 1.00 0.00 C ATOM 478 CZ3 TRP A 32 -0.103 -14.100 -4.521 1.00 0.00 C ATOM 479 CH2 TRP A 32 -0.301 -13.978 -3.135 1.00 0.00 C ATOM 0 H TRP A 32 -0.302 -10.800 -6.431 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.175 -10.194 -8.626 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.063 -11.036 -7.258 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.946 -12.339 -7.611 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.375 -10.327 -4.765 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.484 -11.189 -2.496 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.737 -13.465 -6.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.450 -13.029 -1.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.663 -14.761 -4.898 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.313 -14.543 -2.449 1.00 0.00 H new ATOM 490 N GLN A 33 -3.057 -8.207 -7.331 1.00 0.00 N ATOM 491 CA GLN A 33 -3.321 -6.918 -6.698 1.00 0.00 C ATOM 492 C GLN A 33 -4.427 -7.057 -5.660 1.00 0.00 C ATOM 493 O GLN A 33 -5.469 -7.655 -5.926 1.00 0.00 O ATOM 494 CB GLN A 33 -3.736 -5.890 -7.752 1.00 0.00 C ATOM 495 CG GLN A 33 -2.539 -5.566 -8.647 1.00 0.00 C ATOM 496 CD GLN A 33 -2.952 -4.579 -9.733 1.00 0.00 C ATOM 497 OE1 GLN A 33 -3.809 -4.888 -10.561 1.00 0.00 O ATOM 498 NE2 GLN A 33 -2.389 -3.402 -9.779 1.00 0.00 N ATOM 0 H GLN A 33 -3.580 -8.371 -8.191 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.409 -6.581 -6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.558 -6.280 -8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.098 -4.983 -7.268 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.731 -5.144 -8.049 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.156 -6.480 -9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.679 -3.149 -9.092 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.659 -2.735 -10.502 1.00 0.00 H new ATOM 507 N THR A 34 -4.187 -6.514 -4.466 1.00 0.00 N ATOM 508 CA THR A 34 -5.167 -6.594 -3.379 1.00 0.00 C ATOM 509 C THR A 34 -5.302 -5.253 -2.668 1.00 0.00 C ATOM 510 O THR A 34 -4.399 -4.418 -2.715 1.00 0.00 O ATOM 511 CB THR A 34 -4.732 -7.654 -2.371 1.00 0.00 C ATOM 512 OG1 THR A 34 -5.626 -7.648 -1.267 1.00 0.00 O ATOM 513 CG2 THR A 34 -3.316 -7.338 -1.889 1.00 0.00 C ATOM 0 H THR A 34 -3.329 -6.017 -4.227 1.00 0.00 H new ATOM 0 HA THR A 34 -6.132 -6.862 -3.809 1.00 0.00 H new ATOM 0 HB THR A 34 -4.745 -8.638 -2.840 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.035 -8.534 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.000 -8.092 -1.168 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.633 -7.340 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.303 -6.356 -1.416 1.00 0.00 H new ATOM 521 N ASP A 35 -6.444 -5.061 -2.017 1.00 0.00 N ATOM 522 CA ASP A 35 -6.717 -3.820 -1.295 1.00 0.00 C ATOM 523 C ASP A 35 -6.858 -2.649 -2.269 1.00 0.00 C ATOM 524 O ASP A 35 -7.241 -1.553 -1.870 1.00 0.00 O ATOM 525 CB ASP A 35 -5.588 -3.526 -0.300 1.00 0.00 C ATOM 526 CG ASP A 35 -6.077 -2.578 0.795 1.00 0.00 C ATOM 527 OD1 ASP A 35 -7.084 -1.927 0.580 1.00 0.00 O ATOM 528 OD2 ASP A 35 -5.432 -2.517 1.831 1.00 0.00 O ATOM 0 H ASP A 35 -7.197 -5.748 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.654 -3.942 -0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.236 -4.456 0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.740 -3.082 -0.822 1.00 0.00 H new ATOM 533 N ASN A 36 -6.521 -2.892 -3.541 1.00 0.00 N ATOM 534 CA ASN A 36 -6.586 -1.865 -4.586 1.00 0.00 C ATOM 535 C ASN A 36 -5.264 -1.107 -4.666 1.00 0.00 C ATOM 536 O ASN A 36 -4.798 -0.767 -5.754 1.00 0.00 O ATOM 537 CB ASN A 36 -7.741 -0.873 -4.332 1.00 0.00 C ATOM 538 CG ASN A 36 -8.197 -0.242 -5.647 1.00 0.00 C ATOM 539 OD1 ASN A 36 -7.976 0.949 -5.875 1.00 0.00 O ATOM 540 ND2 ASN A 36 -8.821 -0.974 -6.531 1.00 0.00 N ATOM 0 H ASN A 36 -6.197 -3.801 -3.873 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.773 -2.370 -5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.576 -1.390 -3.860 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.416 -0.095 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.126 -0.560 -7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.003 -1.959 -6.340 1.00 0.00 H new ATOM 547 N CYS A 37 -4.657 -0.848 -3.504 1.00 0.00 N ATOM 548 CA CYS A 37 -3.381 -0.130 -3.445 1.00 0.00 C ATOM 549 C CYS A 37 -2.322 -0.960 -2.723 1.00 0.00 C ATOM 550 O CYS A 37 -1.511 -0.425 -1.966 1.00 0.00 O ATOM 551 CB CYS A 37 -3.565 1.203 -2.731 1.00 0.00 C ATOM 552 SG CYS A 37 -4.707 2.232 -3.687 1.00 0.00 S ATOM 0 H CYS A 37 -5.027 -1.124 -2.595 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.043 0.050 -4.466 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.955 1.041 -1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.605 1.707 -2.622 1.00 0.00 H new ATOM 557 N GLU A 38 -2.331 -2.267 -2.972 1.00 0.00 N ATOM 558 CA GLU A 38 -1.365 -3.175 -2.361 1.00 0.00 C ATOM 559 C GLU A 38 -1.225 -4.410 -3.239 1.00 0.00 C ATOM 560 O GLU A 38 -2.173 -4.792 -3.927 1.00 0.00 O ATOM 561 CB GLU A 38 -1.833 -3.590 -0.962 1.00 0.00 C ATOM 562 CG GLU A 38 -0.774 -4.474 -0.303 1.00 0.00 C ATOM 563 CD GLU A 38 -1.217 -4.844 1.107 1.00 0.00 C ATOM 564 OE1 GLU A 38 -2.123 -4.198 1.610 1.00 0.00 O ATOM 565 OE2 GLU A 38 -0.648 -5.768 1.662 1.00 0.00 O ATOM 0 H GLU A 38 -2.999 -2.722 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.404 -2.669 -2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.013 -2.705 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.778 -4.128 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.621 -5.376 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.181 -3.949 -0.268 1.00 0.00 H new ATOM 572 N THR A 39 -0.050 -5.034 -3.230 1.00 0.00 N ATOM 573 CA THR A 39 0.179 -6.230 -4.052 1.00 0.00 C ATOM 574 C THR A 39 0.923 -7.299 -3.258 1.00 0.00 C ATOM 575 O THR A 39 1.953 -7.025 -2.643 1.00 0.00 O ATOM 576 CB THR A 39 0.986 -5.849 -5.297 1.00 0.00 C ATOM 577 OG1 THR A 39 0.236 -4.932 -6.079 1.00 0.00 O ATOM 578 CG2 THR A 39 1.290 -7.098 -6.127 1.00 0.00 C ATOM 0 H THR A 39 0.752 -4.740 -2.672 1.00 0.00 H new ATOM 0 HA THR A 39 -0.786 -6.637 -4.352 1.00 0.00 H new ATOM 0 HB THR A 39 1.925 -5.390 -4.989 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.750 -4.685 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.864 -6.817 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.868 -7.802 -5.527 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.355 -7.566 -6.436 1.00 0.00 H new ATOM 586 N CYS A 40 0.384 -8.523 -3.268 1.00 0.00 N ATOM 587 CA CYS A 40 0.991 -9.640 -2.535 1.00 0.00 C ATOM 588 C CYS A 40 1.481 -10.739 -3.470 1.00 0.00 C ATOM 589 O CYS A 40 1.059 -10.840 -4.621 1.00 0.00 O ATOM 590 CB CYS A 40 -0.015 -10.218 -1.539 1.00 0.00 C ATOM 591 SG CYS A 40 -0.329 -9.011 -0.223 1.00 0.00 S ATOM 0 H CYS A 40 -0.468 -8.765 -3.774 1.00 0.00 H new ATOM 0 HA CYS A 40 1.858 -9.249 -2.002 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.946 -10.466 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.371 -11.144 -1.113 1.00 0.00 H new ATOM 596 N THR A 41 2.396 -11.556 -2.945 1.00 0.00 N ATOM 597 CA THR A 41 2.991 -12.663 -3.702 1.00 0.00 C ATOM 598 C THR A 41 2.929 -13.964 -2.898 1.00 0.00 C ATOM 599 O THR A 41 3.184 -13.969 -1.696 1.00 0.00 O ATOM 600 CB THR A 41 4.450 -12.340 -4.020 1.00 0.00 C ATOM 601 OG1 THR A 41 4.516 -11.118 -4.741 1.00 0.00 O ATOM 602 CG2 THR A 41 5.051 -13.468 -4.859 1.00 0.00 C ATOM 0 H THR A 41 2.745 -11.472 -1.990 1.00 0.00 H new ATOM 0 HA THR A 41 2.427 -12.792 -4.626 1.00 0.00 H new ATOM 0 HB THR A 41 5.014 -12.243 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.451 -10.908 -4.944 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.092 -13.238 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.999 -14.403 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.491 -13.568 -5.789 1.00 0.00 H new ATOM 610 N CYS A 42 2.592 -15.065 -3.570 1.00 0.00 N ATOM 611 CA CYS A 42 2.498 -16.371 -2.914 1.00 0.00 C ATOM 612 C CYS A 42 3.787 -17.166 -3.093 1.00 0.00 C ATOM 613 O CYS A 42 4.218 -17.429 -4.215 1.00 0.00 O ATOM 614 CB CYS A 42 1.341 -17.180 -3.511 1.00 0.00 C ATOM 615 SG CYS A 42 1.057 -18.662 -2.512 1.00 0.00 S ATOM 0 H CYS A 42 2.380 -15.079 -4.568 1.00 0.00 H new ATOM 0 HA CYS A 42 2.326 -16.196 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.437 -16.572 -3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.572 -17.461 -4.539 1.00 0.00 H new ATOM 620 N TYR A 43 4.376 -17.577 -1.973 1.00 0.00 N ATOM 621 CA TYR A 43 5.601 -18.384 -1.987 1.00 0.00 C ATOM 622 C TYR A 43 5.324 -19.735 -1.336 1.00 0.00 C ATOM 623 O TYR A 43 4.207 -20.000 -0.894 1.00 0.00 O ATOM 624 CB TYR A 43 6.737 -17.680 -1.236 1.00 0.00 C ATOM 625 CG TYR A 43 7.272 -16.530 -2.058 1.00 0.00 C ATOM 626 CD1 TYR A 43 8.209 -16.771 -3.071 1.00 0.00 C ATOM 627 CD2 TYR A 43 6.843 -15.223 -1.802 1.00 0.00 C ATOM 628 CE1 TYR A 43 8.715 -15.707 -3.826 1.00 0.00 C ATOM 629 CE2 TYR A 43 7.348 -14.159 -2.558 1.00 0.00 C ATOM 630 CZ TYR A 43 8.284 -14.401 -3.570 1.00 0.00 C ATOM 631 OH TYR A 43 8.781 -13.350 -4.315 1.00 0.00 O ATOM 0 H TYR A 43 4.026 -17.365 -1.039 1.00 0.00 H new ATOM 0 HA TYR A 43 5.909 -18.522 -3.023 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.375 -17.313 -0.276 1.00 0.00 H new ATOM 0 HB3 TYR A 43 7.537 -18.389 -1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.541 -17.779 -3.270 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.122 -15.035 -1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.438 -15.894 -4.606 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.015 -13.151 -2.360 1.00 0.00 H new ATOM 0 HH TYR A 43 8.377 -12.512 -4.008 1.00 0.00 H new ATOM 641 N GLU A 44 6.335 -20.593 -1.299 1.00 0.00 N ATOM 642 CA GLU A 44 6.184 -21.927 -0.723 1.00 0.00 C ATOM 643 C GLU A 44 5.358 -21.918 0.559 1.00 0.00 C ATOM 644 O GLU A 44 4.326 -22.585 0.642 1.00 0.00 O ATOM 645 CB GLU A 44 7.562 -22.508 -0.414 1.00 0.00 C ATOM 646 CG GLU A 44 8.308 -22.785 -1.718 1.00 0.00 C ATOM 647 CD GLU A 44 9.723 -23.255 -1.407 1.00 0.00 C ATOM 648 OE1 GLU A 44 10.050 -23.346 -0.235 1.00 0.00 O ATOM 649 OE2 GLU A 44 10.459 -23.518 -2.344 1.00 0.00 O ATOM 0 H GLU A 44 7.268 -20.392 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 44 5.658 -22.537 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.131 -21.811 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.459 -23.429 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.781 -23.544 -2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.340 -21.883 -2.329 1.00 0.00 H new ATOM 656 N THR A 45 5.824 -21.192 1.575 1.00 0.00 N ATOM 657 CA THR A 45 5.118 -21.151 2.860 1.00 0.00 C ATOM 658 C THR A 45 5.127 -19.750 3.464 1.00 0.00 C ATOM 659 O THR A 45 5.202 -19.597 4.684 1.00 0.00 O ATOM 660 CB THR A 45 5.782 -22.132 3.834 1.00 0.00 C ATOM 661 OG1 THR A 45 7.113 -21.710 4.096 1.00 0.00 O ATOM 662 CG2 THR A 45 5.804 -23.529 3.209 1.00 0.00 C ATOM 0 H THR A 45 6.675 -20.631 1.538 1.00 0.00 H new ATOM 0 HA THR A 45 4.080 -21.434 2.685 1.00 0.00 H new ATOM 0 HB THR A 45 5.219 -22.158 4.767 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.538 -22.335 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.275 -24.229 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.783 -23.852 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.369 -23.502 2.277 1.00 0.00 H new ATOM 670 N GLU A 46 5.031 -18.734 2.616 1.00 0.00 N ATOM 671 CA GLU A 46 5.011 -17.359 3.096 1.00 0.00 C ATOM 672 C GLU A 46 4.446 -16.431 2.030 1.00 0.00 C ATOM 673 O GLU A 46 4.462 -16.751 0.845 1.00 0.00 O ATOM 674 CB GLU A 46 6.423 -16.907 3.498 1.00 0.00 C ATOM 675 CG GLU A 46 7.337 -16.867 2.266 1.00 0.00 C ATOM 676 CD GLU A 46 8.764 -16.525 2.682 1.00 0.00 C ATOM 677 OE1 GLU A 46 8.963 -16.193 3.840 1.00 0.00 O ATOM 678 OE2 GLU A 46 9.642 -16.601 1.836 1.00 0.00 O ATOM 0 H GLU A 46 4.966 -18.834 1.603 1.00 0.00 H new ATOM 0 HA GLU A 46 4.368 -17.313 3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.379 -15.921 3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.833 -17.590 4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.319 -17.832 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.970 -16.127 1.555 1.00 0.00 H new ATOM 685 N ILE A 47 3.953 -15.275 2.460 1.00 0.00 N ATOM 686 CA ILE A 47 3.393 -14.288 1.540 1.00 0.00 C ATOM 687 C ILE A 47 4.070 -12.946 1.761 1.00 0.00 C ATOM 688 O ILE A 47 4.133 -12.445 2.882 1.00 0.00 O ATOM 689 CB ILE A 47 1.877 -14.161 1.761 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.181 -15.490 1.377 1.00 0.00 C ATOM 691 CG2 ILE A 47 1.319 -13.025 0.892 1.00 0.00 C ATOM 692 CD1 ILE A 47 -0.079 -15.674 2.221 1.00 0.00 C ATOM 0 H ILE A 47 3.929 -14.997 3.441 1.00 0.00 H new ATOM 0 HA ILE A 47 3.568 -14.612 0.514 1.00 0.00 H new ATOM 0 HB ILE A 47 1.687 -13.941 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.923 -15.484 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.861 -16.327 1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.244 -12.939 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.803 -12.087 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.513 -13.241 -0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.566 -16.610 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.191 -15.700 3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.762 -14.844 2.041 1.00 0.00 H new ATOM 704 N SER A 48 4.552 -12.359 0.673 1.00 0.00 N ATOM 705 CA SER A 48 5.203 -11.054 0.735 1.00 0.00 C ATOM 706 C SER A 48 4.219 -10.003 0.258 1.00 0.00 C ATOM 707 O SER A 48 3.591 -10.170 -0.783 1.00 0.00 O ATOM 708 CB SER A 48 6.446 -11.037 -0.157 1.00 0.00 C ATOM 709 OG SER A 48 6.990 -9.723 -0.175 1.00 0.00 O ATOM 0 H SER A 48 4.505 -12.764 -0.262 1.00 0.00 H new ATOM 0 HA SER A 48 5.511 -10.847 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.186 -11.745 0.216 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.187 -11.350 -1.168 1.00 0.00 H new ATOM 0 HG SER A 48 7.788 -9.707 -0.744 1.00 0.00 H new ATOM 715 N CYS A 49 4.074 -8.930 1.026 1.00 0.00 N ATOM 716 CA CYS A 49 3.137 -7.864 0.667 1.00 0.00 C ATOM 717 C CYS A 49 3.775 -6.493 0.804 1.00 0.00 C ATOM 718 O CYS A 49 4.360 -6.161 1.835 1.00 0.00 O ATOM 719 CB CYS A 49 1.902 -7.944 1.562 1.00 0.00 C ATOM 720 SG CYS A 49 1.001 -9.482 1.229 1.00 0.00 S ATOM 0 H CYS A 49 4.586 -8.772 1.894 1.00 0.00 H new ATOM 0 HA CYS A 49 2.852 -8.003 -0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.198 -7.905 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.254 -7.086 1.381 1.00 0.00 H new ATOM 725 N CYS A 50 3.632 -5.689 -0.249 1.00 0.00 N ATOM 726 CA CYS A 50 4.166 -4.332 -0.267 1.00 0.00 C ATOM 727 C CYS A 50 3.088 -3.376 -0.756 1.00 0.00 C ATOM 728 O CYS A 50 2.406 -3.640 -1.748 1.00 0.00 O ATOM 729 CB CYS A 50 5.409 -4.261 -1.167 1.00 0.00 C ATOM 730 SG CYS A 50 6.585 -3.060 -0.488 1.00 0.00 S ATOM 0 H CYS A 50 3.147 -5.958 -1.105 1.00 0.00 H new ATOM 0 HA CYS A 50 4.465 -4.044 0.741 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.876 -5.243 -1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.122 -3.972 -2.178 1.00 0.00 H new ATOM 735 N THR A 51 2.931 -2.281 -0.037 1.00 0.00 N ATOM 736 CA THR A 51 1.923 -1.294 -0.379 1.00 0.00 C ATOM 737 C THR A 51 2.378 -0.430 -1.548 1.00 0.00 C ATOM 738 O THR A 51 3.574 -0.284 -1.803 1.00 0.00 O ATOM 739 CB THR A 51 1.624 -0.430 0.842 1.00 0.00 C ATOM 740 OG1 THR A 51 0.603 0.501 0.519 1.00 0.00 O ATOM 741 CG2 THR A 51 2.892 0.311 1.276 1.00 0.00 C ATOM 0 H THR A 51 3.487 -2.052 0.787 1.00 0.00 H new ATOM 0 HA THR A 51 1.014 -1.811 -0.685 1.00 0.00 H new ATOM 0 HB THR A 51 1.288 -1.063 1.664 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.005 0.610 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.673 0.927 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.668 -0.412 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.239 0.947 0.461 1.00 0.00 H new ATOM 749 N LEU A 52 1.406 0.119 -2.269 1.00 0.00 N ATOM 750 CA LEU A 52 1.678 0.959 -3.435 1.00 0.00 C ATOM 751 C LEU A 52 1.572 2.438 -3.067 1.00 0.00 C ATOM 752 O LEU A 52 1.568 3.305 -3.943 1.00 0.00 O ATOM 753 CB LEU A 52 0.653 0.638 -4.527 1.00 0.00 C ATOM 754 CG LEU A 52 0.729 -0.847 -4.903 1.00 0.00 C ATOM 755 CD1 LEU A 52 -0.399 -1.176 -5.886 1.00 0.00 C ATOM 756 CD2 LEU A 52 2.088 -1.162 -5.552 1.00 0.00 C ATOM 0 H LEU A 52 0.414 -0.003 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 52 2.689 0.758 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.350 0.881 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.842 1.254 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 52 0.622 -1.451 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.350 -2.231 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.361 -0.966 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.290 -0.566 -6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.130 -2.219 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.210 -0.560 -6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.889 -0.931 -4.850 1.00 0.00 H new ATOM 768 N VAL A 53 1.453 2.721 -1.768 1.00 0.00 N ATOM 769 CA VAL A 53 1.309 4.101 -1.285 1.00 0.00 C ATOM 770 C VAL A 53 2.575 4.572 -0.571 1.00 0.00 C ATOM 771 O VAL A 53 3.124 3.868 0.277 1.00 0.00 O ATOM 772 CB VAL A 53 0.112 4.196 -0.319 1.00 0.00 C ATOM 773 CG1 VAL A 53 -1.120 3.502 -0.934 1.00 0.00 C ATOM 774 CG2 VAL A 53 0.463 3.542 1.035 1.00 0.00 C ATOM 0 H VAL A 53 1.453 2.016 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 53 1.140 4.744 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.119 5.248 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.961 3.574 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.380 3.988 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.892 2.452 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.392 3.616 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.711 2.492 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.318 4.055 1.476 1.00 0.00 H new ATOM 784 N SER A 54 3.026 5.782 -0.913 1.00 0.00 N ATOM 785 CA SER A 54 4.217 6.359 -0.295 1.00 0.00 C ATOM 786 C SER A 54 3.828 7.217 0.907 1.00 0.00 C ATOM 787 O SER A 54 2.701 7.703 0.989 1.00 0.00 O ATOM 788 CB SER A 54 4.957 7.214 -1.319 1.00 0.00 C ATOM 789 OG SER A 54 4.204 8.390 -1.578 1.00 0.00 O ATOM 0 H SER A 54 2.584 6.378 -1.613 1.00 0.00 H new ATOM 0 HA SER A 54 4.866 5.552 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.946 7.477 -0.944 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.104 6.652 -2.241 1.00 0.00 H new ATOM 0 HG SER A 54 4.793 9.172 -1.535 1.00 0.00 H new ATOM 795 N THR A 55 4.763 7.406 1.842 1.00 0.00 N ATOM 796 CA THR A 55 4.494 8.216 3.038 1.00 0.00 C ATOM 797 C THR A 55 5.174 9.593 2.934 1.00 0.00 C ATOM 798 O THR A 55 6.377 9.661 2.686 1.00 0.00 O ATOM 799 CB THR A 55 5.022 7.506 4.288 1.00 0.00 C ATOM 800 OG1 THR A 55 4.641 6.137 4.255 1.00 0.00 O ATOM 801 CG2 THR A 55 4.439 8.170 5.538 1.00 0.00 C ATOM 0 H THR A 55 5.704 7.015 1.798 1.00 0.00 H new ATOM 0 HA THR A 55 3.415 8.350 3.111 1.00 0.00 H new ATOM 0 HB THR A 55 6.109 7.578 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.981 5.683 5.054 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.815 7.664 6.427 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.735 9.219 5.564 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.352 8.100 5.513 1.00 0.00 H new ATOM 809 N PRO A 56 4.458 10.685 3.132 1.00 0.00 N ATOM 810 CA PRO A 56 5.063 12.048 3.066 1.00 0.00 C ATOM 811 C PRO A 56 5.793 12.386 4.364 1.00 0.00 C ATOM 812 O PRO A 56 5.202 12.356 5.443 1.00 0.00 O ATOM 813 CB PRO A 56 3.852 12.963 2.870 1.00 0.00 C ATOM 814 CG PRO A 56 2.740 12.265 3.585 1.00 0.00 C ATOM 815 CD PRO A 56 3.013 10.762 3.432 1.00 0.00 C ATOM 0 HA PRO A 56 5.806 12.145 2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.031 13.954 3.286 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.622 13.098 1.813 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.713 12.551 4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.774 12.531 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.766 10.218 4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.416 10.328 2.630 1.00 0.00 H new ATOM 823 N VAL A 57 7.078 12.703 4.255 1.00 0.00 N ATOM 824 CA VAL A 57 7.880 13.041 5.428 1.00 0.00 C ATOM 825 C VAL A 57 8.840 14.180 5.100 1.00 0.00 C ATOM 826 O VAL A 57 9.353 14.270 3.987 1.00 0.00 O ATOM 827 CB VAL A 57 8.663 11.810 5.876 1.00 0.00 C ATOM 828 CG1 VAL A 57 9.417 11.236 4.678 1.00 0.00 C ATOM 829 CG2 VAL A 57 9.656 12.195 6.978 1.00 0.00 C ATOM 0 H VAL A 57 7.586 12.733 3.371 1.00 0.00 H new ATOM 0 HA VAL A 57 7.221 13.365 6.233 1.00 0.00 H new ATOM 0 HB VAL A 57 7.974 11.062 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.979 10.356 4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.706 10.956 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.105 11.986 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.211 11.311 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.351 12.943 6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.113 12.605 7.830 1.00 0.00 H new ATOM 839 N GLY A 58 9.072 15.050 6.076 1.00 0.00 N ATOM 840 CA GLY A 58 9.966 16.187 5.878 1.00 0.00 C ATOM 841 C GLY A 58 9.189 17.393 5.358 1.00 0.00 C ATOM 842 O GLY A 58 9.711 18.187 4.575 1.00 0.00 O ATOM 0 H GLY A 58 8.657 14.992 7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.456 16.440 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.752 15.921 5.171 1.00 0.00 H new ATOM 846 N TYR A 59 7.935 17.525 5.801 1.00 0.00 N ATOM 847 CA TYR A 59 7.085 18.643 5.376 1.00 0.00 C ATOM 848 C TYR A 59 6.480 19.333 6.589 1.00 0.00 C ATOM 849 O TYR A 59 6.437 18.767 7.681 1.00 0.00 O ATOM 850 CB TYR A 59 5.953 18.148 4.462 1.00 0.00 C ATOM 851 CG TYR A 59 4.913 17.375 5.257 1.00 0.00 C ATOM 852 CD1 TYR A 59 5.215 16.102 5.751 1.00 0.00 C ATOM 853 CD2 TYR A 59 3.638 17.931 5.485 1.00 0.00 C ATOM 854 CE1 TYR A 59 4.250 15.380 6.465 1.00 0.00 C ATOM 855 CE2 TYR A 59 2.677 17.207 6.204 1.00 0.00 C ATOM 856 CZ TYR A 59 2.983 15.931 6.691 1.00 0.00 C ATOM 857 OH TYR A 59 2.036 15.217 7.398 1.00 0.00 O ATOM 0 H TYR A 59 7.488 16.877 6.449 1.00 0.00 H new ATOM 0 HA TYR A 59 7.706 19.349 4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.481 18.997 3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.365 17.512 3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.193 15.675 5.582 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.402 18.914 5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.484 14.395 6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.701 17.634 6.382 1.00 0.00 H new ATOM 0 HH TYR A 59 1.212 15.744 7.466 1.00 0.00 H new ATOM 867 N ASP A 60 6.004 20.552 6.385 1.00 0.00 N ATOM 868 CA ASP A 60 5.394 21.303 7.475 1.00 0.00 C ATOM 869 C ASP A 60 4.005 20.756 7.765 1.00 0.00 C ATOM 870 O ASP A 60 3.047 21.051 7.052 1.00 0.00 O ATOM 871 CB ASP A 60 5.297 22.782 7.114 1.00 0.00 C ATOM 872 CG ASP A 60 6.685 23.410 7.108 1.00 0.00 C ATOM 873 OD1 ASP A 60 7.617 22.743 7.523 1.00 0.00 O ATOM 874 OD2 ASP A 60 6.794 24.549 6.687 1.00 0.00 O ATOM 0 H ASP A 60 6.027 21.038 5.489 1.00 0.00 H new ATOM 0 HA ASP A 60 6.018 21.197 8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.833 22.896 6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.658 23.298 7.831 1.00 0.00 H new ATOM 879 N LYS A 61 3.909 19.937 8.802 1.00 0.00 N ATOM 880 CA LYS A 61 2.635 19.329 9.157 1.00 0.00 C ATOM 881 C LYS A 61 1.598 20.384 9.508 1.00 0.00 C ATOM 882 O LYS A 61 0.438 20.276 9.107 1.00 0.00 O ATOM 883 CB LYS A 61 2.799 18.395 10.355 1.00 0.00 C ATOM 884 CG LYS A 61 3.652 17.181 9.972 1.00 0.00 C ATOM 885 CD LYS A 61 3.805 16.264 11.191 1.00 0.00 C ATOM 886 CE LYS A 61 4.648 15.039 10.819 1.00 0.00 C ATOM 887 NZ LYS A 61 4.795 14.151 12.009 1.00 0.00 N ATOM 0 H LYS A 61 4.689 19.680 9.407 1.00 0.00 H new ATOM 0 HA LYS A 61 2.296 18.765 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.267 18.931 11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.820 18.065 10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.184 16.638 9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.632 17.506 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.278 16.807 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.824 15.947 11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.175 14.494 10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.629 15.355 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.367 13.321 11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.265 14.673 12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.855 13.839 12.328 1.00 0.00 H new ATOM 901 N ASP A 62 2.002 21.399 10.260 1.00 0.00 N ATOM 902 CA ASP A 62 1.076 22.447 10.651 1.00 0.00 C ATOM 903 C ASP A 62 0.570 23.200 9.428 1.00 0.00 C ATOM 904 O ASP A 62 -0.605 23.559 9.353 1.00 0.00 O ATOM 905 CB ASP A 62 1.775 23.418 11.601 1.00 0.00 C ATOM 906 CG ASP A 62 1.971 22.759 12.964 1.00 0.00 C ATOM 907 OD1 ASP A 62 1.344 21.740 13.205 1.00 0.00 O ATOM 908 OD2 ASP A 62 2.747 23.281 13.745 1.00 0.00 O ATOM 0 H ASP A 62 2.954 21.517 10.607 1.00 0.00 H new ATOM 0 HA ASP A 62 0.224 21.991 11.154 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.739 23.714 11.188 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.182 24.326 11.708 1.00 0.00 H new ATOM 913 N ASN A 63 1.467 23.440 8.472 1.00 0.00 N ATOM 914 CA ASN A 63 1.107 24.158 7.250 1.00 0.00 C ATOM 915 C ASN A 63 0.960 23.200 6.073 1.00 0.00 C ATOM 916 O ASN A 63 1.477 23.471 4.997 1.00 0.00 O ATOM 917 CB ASN A 63 2.172 25.200 6.914 1.00 0.00 C ATOM 918 CG ASN A 63 2.228 26.265 8.002 1.00 0.00 C ATOM 919 OD1 ASN A 63 3.306 26.765 8.323 1.00 0.00 O ATOM 920 ND2 ASN A 63 1.126 26.648 8.588 1.00 0.00 N ATOM 0 H ASN A 63 2.444 23.149 8.519 1.00 0.00 H new ATOM 0 HA ASN A 63 0.151 24.651 7.426 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.145 24.718 6.816 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.948 25.663 5.953 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.157 27.364 9.314 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.234 26.232 8.320 1.00 0.00 H new ATOM 927 N CYS A 64 0.204 22.124 6.282 1.00 0.00 N ATOM 928 CA CYS A 64 -0.075 21.150 5.223 1.00 0.00 C ATOM 929 C CYS A 64 -0.598 19.843 5.820 1.00 0.00 C ATOM 930 O CYS A 64 -0.125 19.389 6.861 1.00 0.00 O ATOM 931 CB CYS A 64 1.173 20.869 4.354 1.00 0.00 C ATOM 932 SG CYS A 64 1.193 21.975 2.919 1.00 0.00 S ATOM 0 H CYS A 64 -0.229 21.902 7.178 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.840 21.584 4.580 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.077 21.011 4.946 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.169 19.831 4.023 1.00 0.00 H new ATOM 937 N GLN A 65 -1.570 19.240 5.132 1.00 0.00 N ATOM 938 CA GLN A 65 -2.157 17.968 5.567 1.00 0.00 C ATOM 939 C GLN A 65 -2.139 16.966 4.419 1.00 0.00 C ATOM 940 O GLN A 65 -2.384 17.323 3.265 1.00 0.00 O ATOM 941 CB GLN A 65 -3.596 18.175 6.043 1.00 0.00 C ATOM 942 CG GLN A 65 -4.344 19.054 5.045 1.00 0.00 C ATOM 943 CD GLN A 65 -5.788 19.240 5.499 1.00 0.00 C ATOM 944 OE1 GLN A 65 -6.393 18.314 6.039 1.00 0.00 O ATOM 945 NE2 GLN A 65 -6.375 20.390 5.320 1.00 0.00 N ATOM 0 H GLN A 65 -1.969 19.612 4.270 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.564 17.581 6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.098 17.213 6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.600 18.641 7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.852 20.023 4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.320 18.597 4.056 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.871 21.156 4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.338 20.524 5.628 1.00 0.00 H new ATOM 954 N ARG A 66 -1.835 15.715 4.742 1.00 0.00 N ATOM 955 CA ARG A 66 -1.773 14.661 3.735 1.00 0.00 C ATOM 956 C ARG A 66 -3.163 14.096 3.448 1.00 0.00 C ATOM 957 O ARG A 66 -3.968 13.910 4.359 1.00 0.00 O ATOM 958 CB ARG A 66 -0.849 13.542 4.228 1.00 0.00 C ATOM 959 CG ARG A 66 -1.378 12.997 5.556 1.00 0.00 C ATOM 960 CD ARG A 66 -0.440 11.909 6.082 1.00 0.00 C ATOM 961 NE ARG A 66 -0.935 11.397 7.359 1.00 0.00 N ATOM 962 CZ ARG A 66 -1.832 10.415 7.413 1.00 0.00 C ATOM 963 NH1 ARG A 66 -2.290 9.885 6.310 1.00 0.00 N ATOM 964 NH2 ARG A 66 -2.256 9.984 8.568 1.00 0.00 N ATOM 0 H ARG A 66 -1.628 15.405 5.691 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.381 15.085 2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.799 12.743 3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.165 13.922 4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.458 13.804 6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.380 12.591 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.369 11.097 5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.565 12.313 6.207 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.585 11.801 8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.960 10.224 5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.977 9.133 6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.900 10.399 9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.943 9.232 8.611 1.00 0.00 H new ATOM 978 N ILE A 67 -3.442 13.841 2.170 1.00 0.00 N ATOM 979 CA ILE A 67 -4.744 13.311 1.755 1.00 0.00 C ATOM 980 C ILE A 67 -4.567 11.996 0.996 1.00 0.00 C ATOM 981 O ILE A 67 -3.729 11.895 0.102 1.00 0.00 O ATOM 982 CB ILE A 67 -5.442 14.338 0.870 1.00 0.00 C ATOM 983 CG1 ILE A 67 -5.636 15.630 1.667 1.00 0.00 C ATOM 984 CG2 ILE A 67 -6.807 13.794 0.444 1.00 0.00 C ATOM 985 CD1 ILE A 67 -6.002 16.767 0.715 1.00 0.00 C ATOM 0 H ILE A 67 -2.786 13.992 1.404 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.352 13.116 2.638 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.838 14.537 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.422 15.497 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.723 15.876 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.309 14.526 -0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.672 12.866 -0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.414 13.602 1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.140 17.687 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.201 16.906 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.927 16.521 0.193 1.00 0.00 H new ATOM 997 N PHE A 68 -5.346 10.985 1.380 1.00 0.00 N ATOM 998 CA PHE A 68 -5.252 9.667 0.751 1.00 0.00 C ATOM 999 C PHE A 68 -6.100 9.579 -0.522 1.00 0.00 C ATOM 1000 O PHE A 68 -7.305 9.829 -0.500 1.00 0.00 O ATOM 1001 CB PHE A 68 -5.706 8.599 1.757 1.00 0.00 C ATOM 1002 CG PHE A 68 -5.557 7.215 1.163 1.00 0.00 C ATOM 1003 CD1 PHE A 68 -4.295 6.759 0.753 1.00 0.00 C ATOM 1004 CD2 PHE A 68 -6.674 6.380 1.028 1.00 0.00 C ATOM 1005 CE1 PHE A 68 -4.155 5.479 0.212 1.00 0.00 C ATOM 1006 CE2 PHE A 68 -6.531 5.099 0.488 1.00 0.00 C ATOM 1007 CZ PHE A 68 -5.272 4.647 0.079 1.00 0.00 C ATOM 0 H PHE A 68 -6.046 11.052 2.119 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.214 9.499 0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.114 8.675 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.746 8.772 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.431 7.399 0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.647 6.727 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.183 5.131 -0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.394 4.457 0.386 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.162 3.657 -0.339 1.00 0.00 H new ATOM 1017 N LYS A 69 -5.447 9.215 -1.636 1.00 0.00 N ATOM 1018 CA LYS A 69 -6.125 9.082 -2.937 1.00 0.00 C ATOM 1019 C LYS A 69 -5.992 7.648 -3.470 1.00 0.00 C ATOM 1020 O LYS A 69 -4.931 7.261 -3.960 1.00 0.00 O ATOM 1021 CB LYS A 69 -5.500 10.068 -3.963 1.00 0.00 C ATOM 1022 CG LYS A 69 -6.389 11.308 -4.158 1.00 0.00 C ATOM 1023 CD LYS A 69 -6.398 12.148 -2.882 1.00 0.00 C ATOM 1024 CE LYS A 69 -7.096 13.482 -3.157 1.00 0.00 C ATOM 1025 NZ LYS A 69 -8.548 13.244 -3.394 1.00 0.00 N ATOM 0 H LYS A 69 -4.449 9.007 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.181 9.315 -2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.512 10.376 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.362 9.563 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.019 11.903 -4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.405 11.002 -4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.914 11.613 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.378 12.322 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.960 14.156 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.649 13.966 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.051 14.154 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.676 12.759 -4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.932 12.652 -2.630 1.00 0.00 H new ATOM 1039 N LYS A 70 -7.068 6.872 -3.383 1.00 0.00 N ATOM 1040 CA LYS A 70 -7.054 5.492 -3.874 1.00 0.00 C ATOM 1041 C LYS A 70 -6.853 5.427 -5.384 1.00 0.00 C ATOM 1042 O LYS A 70 -6.136 4.562 -5.887 1.00 0.00 O ATOM 1043 CB LYS A 70 -8.385 4.814 -3.542 1.00 0.00 C ATOM 1044 CG LYS A 70 -8.461 4.545 -2.048 1.00 0.00 C ATOM 1045 CD LYS A 70 -9.829 3.956 -1.709 1.00 0.00 C ATOM 1046 CE LYS A 70 -9.905 3.661 -0.210 1.00 0.00 C ATOM 1047 NZ LYS A 70 -11.245 3.099 0.115 1.00 0.00 N ATOM 0 H LYS A 70 -7.957 7.170 -2.980 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.222 4.984 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.215 5.449 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.477 3.879 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.672 3.855 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.302 5.469 -1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.617 4.654 -1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.993 3.041 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.124 2.955 0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.733 4.573 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.299 2.898 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.982 3.787 -0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.392 2.219 -0.420 1.00 0.00 H new ATOM 1061 N GLU A 71 -7.527 6.314 -6.100 1.00 0.00 N ATOM 1062 CA GLU A 71 -7.458 6.315 -7.555 1.00 0.00 C ATOM 1063 C GLU A 71 -6.016 6.374 -8.054 1.00 0.00 C ATOM 1064 O GLU A 71 -5.729 5.965 -9.179 1.00 0.00 O ATOM 1065 CB GLU A 71 -8.237 7.508 -8.112 1.00 0.00 C ATOM 1066 CG GLU A 71 -8.279 7.427 -9.641 1.00 0.00 C ATOM 1067 CD GLU A 71 -9.134 8.559 -10.198 1.00 0.00 C ATOM 1068 OE1 GLU A 71 -9.857 9.166 -9.426 1.00 0.00 O ATOM 1069 OE2 GLU A 71 -9.055 8.802 -11.391 1.00 0.00 O ATOM 0 H GLU A 71 -8.125 7.038 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.900 5.383 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.250 7.513 -7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.766 8.440 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.269 7.490 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.687 6.465 -9.952 1.00 0.00 H new ATOM 1076 N ASP A 72 -5.111 6.876 -7.219 1.00 0.00 N ATOM 1077 CA ASP A 72 -3.697 6.978 -7.592 1.00 0.00 C ATOM 1078 C ASP A 72 -2.823 6.256 -6.579 1.00 0.00 C ATOM 1079 O ASP A 72 -1.595 6.326 -6.646 1.00 0.00 O ATOM 1080 CB ASP A 72 -3.289 8.449 -7.653 1.00 0.00 C ATOM 1081 CG ASP A 72 -3.922 9.114 -8.872 1.00 0.00 C ATOM 1082 OD1 ASP A 72 -4.344 8.395 -9.763 1.00 0.00 O ATOM 1083 OD2 ASP A 72 -3.971 10.332 -8.898 1.00 0.00 O ATOM 0 H ASP A 72 -5.327 7.218 -6.283 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.561 6.514 -8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.605 8.961 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.203 8.532 -7.705 1.00 0.00 H new ATOM 1088 N CYS A 73 -3.463 5.563 -5.638 1.00 0.00 N ATOM 1089 CA CYS A 73 -2.738 4.830 -4.603 1.00 0.00 C ATOM 1090 C CYS A 73 -1.494 5.590 -4.156 1.00 0.00 C ATOM 1091 O CYS A 73 -0.375 5.098 -4.296 1.00 0.00 O ATOM 1092 CB CYS A 73 -2.324 3.458 -5.119 1.00 0.00 C ATOM 1093 SG CYS A 73 -3.799 2.476 -5.479 1.00 0.00 S ATOM 0 H CYS A 73 -4.479 5.494 -5.572 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.407 4.718 -3.750 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.717 3.564 -6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.708 2.950 -4.377 1.00 0.00 H new ATOM 1098 N LYS A 74 -1.694 6.788 -3.624 1.00 0.00 N ATOM 1099 CA LYS A 74 -0.574 7.599 -3.167 1.00 0.00 C ATOM 1100 C LYS A 74 -1.037 8.675 -2.198 1.00 0.00 C ATOM 1101 O LYS A 74 -2.219 9.009 -2.136 1.00 0.00 O ATOM 1102 CB LYS A 74 0.131 8.255 -4.359 1.00 0.00 C ATOM 1103 CG LYS A 74 -0.832 9.211 -5.075 1.00 0.00 C ATOM 1104 CD LYS A 74 -0.148 9.810 -6.311 1.00 0.00 C ATOM 1105 CE LYS A 74 0.962 10.785 -5.898 1.00 0.00 C ATOM 1106 NZ LYS A 74 1.319 11.648 -7.062 1.00 0.00 N ATOM 0 H LYS A 74 -2.611 7.216 -3.499 1.00 0.00 H new ATOM 0 HA LYS A 74 0.124 6.940 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.011 8.800 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.480 7.490 -5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.735 8.677 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.140 10.007 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.272 9.012 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.885 10.329 -6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.629 11.401 -5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.838 10.233 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.072 12.310 -6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.653 11.052 -7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.481 12.184 -7.367 1.00 0.00 H new ATOM 1120 N TYR A 75 -0.083 9.231 -1.460 1.00 0.00 N ATOM 1121 CA TYR A 75 -0.367 10.299 -0.502 1.00 0.00 C ATOM 1122 C TYR A 75 0.175 11.619 -1.033 1.00 0.00 C ATOM 1123 O TYR A 75 1.300 11.688 -1.525 1.00 0.00 O ATOM 1124 CB TYR A 75 0.286 9.991 0.858 1.00 0.00 C ATOM 1125 CG TYR A 75 -0.585 9.056 1.662 1.00 0.00 C ATOM 1126 CD1 TYR A 75 -1.594 9.586 2.473 1.00 0.00 C ATOM 1127 CD2 TYR A 75 -0.380 7.673 1.614 1.00 0.00 C ATOM 1128 CE1 TYR A 75 -2.398 8.736 3.237 1.00 0.00 C ATOM 1129 CE2 TYR A 75 -1.188 6.818 2.376 1.00 0.00 C ATOM 1130 CZ TYR A 75 -2.197 7.352 3.189 1.00 0.00 C ATOM 1131 OH TYR A 75 -2.990 6.514 3.945 1.00 0.00 O ATOM 0 H TYR A 75 0.899 8.960 -1.506 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.447 10.369 -0.368 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.267 9.542 0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.443 10.917 1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.752 10.654 2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.401 7.264 0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.175 9.147 3.865 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.033 5.750 2.337 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.719 5.584 3.795 1.00 0.00 H new ATOM 1141 N ILE A 76 -0.630 12.669 -0.916 1.00 0.00 N ATOM 1142 CA ILE A 76 -0.233 13.995 -1.369 1.00 0.00 C ATOM 1143 C ILE A 76 -0.469 15.006 -0.261 1.00 0.00 C ATOM 1144 O ILE A 76 -1.439 14.907 0.489 1.00 0.00 O ATOM 1145 CB ILE A 76 -1.036 14.378 -2.616 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -2.537 14.294 -2.311 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -0.693 13.420 -3.757 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -3.330 14.802 -3.515 1.00 0.00 C ATOM 0 H ILE A 76 -1.565 12.626 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 76 0.827 13.989 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.784 15.398 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.816 13.265 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.774 14.889 -1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.264 13.692 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.373 13.484 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.943 12.400 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.397 14.743 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.058 15.838 -3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.101 14.188 -4.386 1.00 0.00 H new ATOM 1160 N VAL A 77 0.429 15.979 -0.163 1.00 0.00 N ATOM 1161 CA VAL A 77 0.326 17.020 0.857 1.00 0.00 C ATOM 1162 C VAL A 77 0.089 18.366 0.187 1.00 0.00 C ATOM 1163 O VAL A 77 0.833 18.773 -0.706 1.00 0.00 O ATOM 1164 CB VAL A 77 1.623 17.068 1.696 1.00 0.00 C ATOM 1165 CG1 VAL A 77 1.525 16.110 2.892 1.00 0.00 C ATOM 1166 CG2 VAL A 77 2.808 16.658 0.817 1.00 0.00 C ATOM 0 H VAL A 77 1.238 16.070 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.511 16.795 1.518 1.00 0.00 H new ATOM 0 HB VAL A 77 1.765 18.083 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.447 16.156 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.685 16.400 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.374 15.092 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.725 16.690 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.651 15.646 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.892 17.346 -0.025 1.00 0.00 H new ATOM 1176 N VAL A 78 -0.956 19.055 0.637 1.00 0.00 N ATOM 1177 CA VAL A 78 -1.309 20.372 0.099 1.00 0.00 C ATOM 1178 C VAL A 78 -1.543 21.349 1.243 1.00 0.00 C ATOM 1179 O VAL A 78 -1.820 20.938 2.370 1.00 0.00 O ATOM 1180 CB VAL A 78 -2.578 20.277 -0.756 1.00 0.00 C ATOM 1181 CG1 VAL A 78 -2.335 19.382 -1.984 1.00 0.00 C ATOM 1182 CG2 VAL A 78 -3.726 19.702 0.087 1.00 0.00 C ATOM 0 H VAL A 78 -1.577 18.724 1.375 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.487 20.726 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.844 21.276 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.246 19.326 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.532 19.804 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.054 18.381 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.627 19.635 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.454 18.708 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.913 20.354 0.940 1.00 0.00 H new ATOM 1192 N GLU A 79 -1.449 22.641 0.955 1.00 0.00 N ATOM 1193 CA GLU A 79 -1.670 23.653 1.978 1.00 0.00 C ATOM 1194 C GLU A 79 -3.110 23.593 2.469 1.00 0.00 C ATOM 1195 O GLU A 79 -4.031 23.352 1.691 1.00 0.00 O ATOM 1196 CB GLU A 79 -1.383 25.041 1.402 1.00 0.00 C ATOM 1197 CG GLU A 79 0.113 25.165 1.105 1.00 0.00 C ATOM 1198 CD GLU A 79 0.406 26.510 0.450 1.00 0.00 C ATOM 1199 OE1 GLU A 79 -0.524 27.277 0.274 1.00 0.00 O ATOM 1200 OE2 GLU A 79 1.561 26.752 0.134 1.00 0.00 O ATOM 0 H GLU A 79 -1.224 23.010 0.031 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.999 23.462 2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.961 25.196 0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.690 25.812 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.684 25.069 2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.430 24.355 0.448 1.00 0.00 H new ATOM 1207 N LYS A 80 -3.302 23.844 3.757 1.00 0.00 N ATOM 1208 CA LYS A 80 -4.635 23.848 4.334 1.00 0.00 C ATOM 1209 C LYS A 80 -5.441 25.026 3.794 1.00 0.00 C ATOM 1210 O LYS A 80 -6.633 24.904 3.512 1.00 0.00 O ATOM 1211 CB LYS A 80 -4.522 23.931 5.852 1.00 0.00 C ATOM 1212 CG LYS A 80 -3.927 22.622 6.373 1.00 0.00 C ATOM 1213 CD LYS A 80 -3.590 22.783 7.849 1.00 0.00 C ATOM 1214 CE LYS A 80 -3.003 21.482 8.396 1.00 0.00 C ATOM 1215 NZ LYS A 80 -4.081 20.459 8.505 1.00 0.00 N ATOM 0 H LYS A 80 -2.553 24.047 4.419 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.153 22.928 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.891 24.773 6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.503 24.103 6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.636 21.805 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.031 22.365 5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.877 23.597 7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.487 23.051 8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.211 21.123 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.552 21.656 9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.683 19.573 8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.822 20.803 9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.492 20.286 7.565 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.775 26.169 3.658 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.422 27.376 3.155 1.00 0.00 C ATOM 1231 C LYS A 81 -5.927 27.164 1.730 1.00 0.00 C ATOM 1232 O LYS A 81 -7.023 27.598 1.378 1.00 0.00 O ATOM 1233 CB LYS A 81 -4.433 28.544 3.175 1.00 0.00 C ATOM 1234 CG LYS A 81 -4.116 28.933 4.622 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.085 30.064 4.635 1.00 0.00 C ATOM 1236 CE LYS A 81 -2.728 30.417 6.081 1.00 0.00 C ATOM 1237 NZ LYS A 81 -3.942 30.924 6.781 1.00 0.00 N ATOM 0 H LYS A 81 -3.788 26.284 3.889 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.271 27.603 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.517 28.265 2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.854 29.398 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.026 29.251 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.731 28.070 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.190 29.760 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.485 30.940 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.338 29.539 6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.942 31.172 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.658 31.455 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.475 31.549 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.542 30.122 7.060 1.00 0.00 H new ATOM 1251 N ASP A 82 -5.114 26.496 0.914 1.00 0.00 N ATOM 1252 CA ASP A 82 -5.473 26.222 -0.482 1.00 0.00 C ATOM 1253 C ASP A 82 -5.066 24.790 -0.852 1.00 0.00 C ATOM 1254 O ASP A 82 -3.958 24.561 -1.329 1.00 0.00 O ATOM 1255 CB ASP A 82 -4.754 27.218 -1.401 1.00 0.00 C ATOM 1256 CG ASP A 82 -4.740 28.600 -0.758 1.00 0.00 C ATOM 1257 OD1 ASP A 82 -5.810 29.154 -0.571 1.00 0.00 O ATOM 1258 OD2 ASP A 82 -3.660 29.085 -0.465 1.00 0.00 O ATOM 0 H ASP A 82 -4.202 26.133 1.192 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.551 26.329 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.733 26.883 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.256 27.262 -2.368 1.00 0.00 H new ATOM 1263 N PRO A 83 -5.928 23.825 -0.632 1.00 0.00 N ATOM 1264 CA PRO A 83 -5.630 22.392 -0.943 1.00 0.00 C ATOM 1265 C PRO A 83 -5.213 22.174 -2.402 1.00 0.00 C ATOM 1266 O PRO A 83 -4.782 21.082 -2.776 1.00 0.00 O ATOM 1267 CB PRO A 83 -6.946 21.659 -0.621 1.00 0.00 C ATOM 1268 CG PRO A 83 -7.665 22.556 0.334 1.00 0.00 C ATOM 1269 CD PRO A 83 -7.277 23.981 -0.061 1.00 0.00 C ATOM 0 HA PRO A 83 -4.783 22.024 -0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.534 21.490 -1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.755 20.682 -0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.744 22.412 0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.376 22.343 1.363 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.974 24.400 -0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.273 24.649 0.800 1.00 0.00 H new ATOM 1277 N LYS A 84 -5.339 23.214 -3.218 1.00 0.00 N ATOM 1278 CA LYS A 84 -4.966 23.114 -4.627 1.00 0.00 C ATOM 1279 C LYS A 84 -3.448 23.051 -4.783 1.00 0.00 C ATOM 1280 O LYS A 84 -2.929 22.291 -5.601 1.00 0.00 O ATOM 1281 CB LYS A 84 -5.514 24.324 -5.396 1.00 0.00 C ATOM 1282 CG LYS A 84 -4.744 25.592 -5.007 1.00 0.00 C ATOM 1283 CD LYS A 84 -5.458 26.819 -5.588 1.00 0.00 C ATOM 1284 CE LYS A 84 -5.495 26.730 -7.121 1.00 0.00 C ATOM 1285 NZ LYS A 84 -6.708 25.971 -7.540 1.00 0.00 N ATOM 0 H LYS A 84 -5.693 24.128 -2.934 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.395 22.198 -5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.427 24.152 -6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.574 24.453 -5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.681 25.674 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.722 25.540 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.473 26.879 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.943 27.729 -5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.509 27.730 -7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.597 26.235 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.421 25.077 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.296 25.768 -6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.255 26.538 -8.220 1.00 0.00 H new ATOM 1299 N LYS A 85 -2.749 23.872 -4.004 1.00 0.00 N ATOM 1300 CA LYS A 85 -1.292 23.929 -4.065 1.00 0.00 C ATOM 1301 C LYS A 85 -0.668 22.796 -3.263 1.00 0.00 C ATOM 1302 O LYS A 85 -1.114 22.485 -2.158 1.00 0.00 O ATOM 1303 CB LYS A 85 -0.803 25.268 -3.514 1.00 0.00 C ATOM 1304 CG LYS A 85 0.704 25.388 -3.734 1.00 0.00 C ATOM 1305 CD LYS A 85 1.181 26.756 -3.244 1.00 0.00 C ATOM 1306 CE LYS A 85 2.685 26.887 -3.481 1.00 0.00 C ATOM 1307 NZ LYS A 85 3.148 28.220 -3.006 1.00 0.00 N ATOM 0 H LYS A 85 -3.168 24.506 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.991 23.825 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.321 26.089 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.033 25.342 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.225 24.595 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.939 25.266 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.649 27.548 -3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.958 26.872 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.217 26.096 -2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.909 26.769 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.172 28.310 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.648 28.968 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.948 28.315 -1.990 1.00 0.00 H new ATOM 1321 N THR A 86 0.368 22.180 -3.826 1.00 0.00 N ATOM 1322 CA THR A 86 1.053 21.081 -3.153 1.00 0.00 C ATOM 1323 C THR A 86 2.099 21.607 -2.174 1.00 0.00 C ATOM 1324 O THR A 86 2.524 22.759 -2.263 1.00 0.00 O ATOM 1325 CB THR A 86 1.734 20.187 -4.187 1.00 0.00 C ATOM 1326 OG1 THR A 86 2.743 20.928 -4.860 1.00 0.00 O ATOM 1327 CG2 THR A 86 0.697 19.692 -5.195 1.00 0.00 C ATOM 0 H THR A 86 0.749 22.421 -4.741 1.00 0.00 H new ATOM 0 HA THR A 86 0.312 20.507 -2.597 1.00 0.00 H new ATOM 0 HB THR A 86 2.187 19.330 -3.688 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.182 20.355 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.183 19.054 -5.933 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.074 19.123 -4.675 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.241 20.545 -5.697 1.00 0.00 H new ATOM 1335 N CYS A 87 2.515 20.748 -1.245 1.00 0.00 N ATOM 1336 CA CYS A 87 3.525 21.120 -0.245 1.00 0.00 C ATOM 1337 C CYS A 87 4.894 20.571 -0.640 1.00 0.00 C ATOM 1338 O CYS A 87 4.996 19.700 -1.506 1.00 0.00 O ATOM 1339 CB CYS A 87 3.141 20.549 1.124 1.00 0.00 C ATOM 1340 SG CYS A 87 1.362 20.719 1.361 1.00 0.00 S ATOM 0 H CYS A 87 2.172 19.791 -1.161 1.00 0.00 H new ATOM 0 HA CYS A 87 3.571 22.208 -0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.430 19.500 1.187 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.677 21.075 1.914 1.00 0.00 H new ATOM 1345 N SER A 88 5.943 21.068 0.014 1.00 0.00 N ATOM 1346 CA SER A 88 7.304 20.599 -0.260 1.00 0.00 C ATOM 1347 C SER A 88 7.689 19.510 0.738 1.00 0.00 C ATOM 1348 O SER A 88 7.561 19.686 1.950 1.00 0.00 O ATOM 1349 CB SER A 88 8.295 21.755 -0.160 1.00 0.00 C ATOM 1350 OG SER A 88 9.623 21.246 -0.238 1.00 0.00 O ATOM 0 H SER A 88 5.880 21.790 0.732 1.00 0.00 H new ATOM 0 HA SER A 88 7.334 20.193 -1.271 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.120 22.470 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.153 22.290 0.779 1.00 0.00 H new ATOM 0 HG SER A 88 10.261 21.987 -0.176 1.00 0.00 H new ATOM 1356 N VAL A 89 8.151 18.381 0.212 1.00 0.00 N ATOM 1357 CA VAL A 89 8.548 17.237 1.041 1.00 0.00 C ATOM 1358 C VAL A 89 10.025 16.920 0.829 1.00 0.00 C ATOM 1359 O VAL A 89 10.509 16.915 -0.303 1.00 0.00 O ATOM 1360 CB VAL A 89 7.696 16.018 0.665 1.00 0.00 C ATOM 1361 CG1 VAL A 89 7.779 14.949 1.762 1.00 0.00 C ATOM 1362 CG2 VAL A 89 6.239 16.457 0.498 1.00 0.00 C ATOM 0 H VAL A 89 8.262 18.228 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 89 8.391 17.484 2.091 1.00 0.00 H new ATOM 0 HB VAL A 89 8.071 15.597 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.169 14.091 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.815 14.633 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.412 15.362 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.628 15.595 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.877 16.882 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.173 17.207 -0.290 1.00 0.00 H new ATOM 1372 N SER A 90 10.736 16.646 1.919 1.00 0.00 N ATOM 1373 CA SER A 90 12.155 16.318 1.835 1.00 0.00 C ATOM 1374 C SER A 90 12.364 14.975 1.143 1.00 0.00 C ATOM 1375 O SER A 90 13.303 14.806 0.363 1.00 0.00 O ATOM 1376 CB SER A 90 12.759 16.265 3.239 1.00 0.00 C ATOM 1377 OG SER A 90 14.175 16.346 3.146 1.00 0.00 O ATOM 0 H SER A 90 10.355 16.645 2.865 1.00 0.00 H new ATOM 0 HA SER A 90 12.650 17.093 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.375 17.087 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.468 15.340 3.737 1.00 0.00 H new ATOM 0 HG SER A 90 14.564 16.314 4.045 1.00 0.00 H new ATOM 1383 N GLU A 91 11.491 14.016 1.440 1.00 0.00 N ATOM 1384 CA GLU A 91 11.611 12.692 0.840 1.00 0.00 C ATOM 1385 C GLU A 91 10.352 11.857 1.062 1.00 0.00 C ATOM 1386 O GLU A 91 9.557 12.132 1.960 1.00 0.00 O ATOM 1387 CB GLU A 91 12.826 11.975 1.439 1.00 0.00 C ATOM 1388 CG GLU A 91 12.578 11.665 2.919 1.00 0.00 C ATOM 1389 CD GLU A 91 13.835 11.069 3.542 1.00 0.00 C ATOM 1390 OE1 GLU A 91 14.758 10.775 2.798 1.00 0.00 O ATOM 1391 OE2 GLU A 91 13.850 10.898 4.748 1.00 0.00 O ATOM 0 H GLU A 91 10.706 14.128 2.081 1.00 0.00 H new ATOM 0 HA GLU A 91 11.740 12.813 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.018 11.051 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.714 12.598 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.296 12.575 3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.746 10.968 3.019 1.00 0.00 H new ATOM 1398 N TRP A 92 10.189 10.822 0.235 1.00 0.00 N ATOM 1399 CA TRP A 92 9.037 9.918 0.331 1.00 0.00 C ATOM 1400 C TRP A 92 9.517 8.501 0.644 1.00 0.00 C ATOM 1401 O TRP A 92 10.589 8.090 0.197 1.00 0.00 O ATOM 1402 CB TRP A 92 8.270 9.912 -0.995 1.00 0.00 C ATOM 1403 CG TRP A 92 7.676 11.261 -1.237 1.00 0.00 C ATOM 1404 CD1 TRP A 92 8.341 12.328 -1.738 1.00 0.00 C ATOM 1405 CD2 TRP A 92 6.309 11.701 -1.008 1.00 0.00 C ATOM 1406 NE1 TRP A 92 7.466 13.397 -1.824 1.00 0.00 N ATOM 1407 CE2 TRP A 92 6.202 13.059 -1.385 1.00 0.00 C ATOM 1408 CE3 TRP A 92 5.163 11.058 -0.507 1.00 0.00 C ATOM 1409 CZ2 TRP A 92 4.997 13.755 -1.274 1.00 0.00 C ATOM 1410 CZ3 TRP A 92 3.951 11.753 -0.395 1.00 0.00 C ATOM 1411 CH2 TRP A 92 3.868 13.100 -0.775 1.00 0.00 C ATOM 0 H TRP A 92 10.842 10.587 -0.512 1.00 0.00 H new ATOM 0 HA TRP A 92 8.380 10.264 1.129 1.00 0.00 H new ATOM 0 HB2 TRP A 92 8.940 9.647 -1.813 1.00 0.00 H new ATOM 0 HB3 TRP A 92 7.484 9.157 -0.969 1.00 0.00 H new ATOM 0 HD1 TRP A 92 9.382 12.343 -2.024 1.00 0.00 H new ATOM 0 HE1 TRP A 92 7.724 14.321 -2.170 1.00 0.00 H new ATOM 0 HE3 TRP A 92 5.217 10.022 -0.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 4.938 14.792 -1.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.076 11.248 -0.014 1.00 0.00 H new ATOM 0 HH2 TRP A 92 2.932 13.631 -0.682 1.00 0.00 H new ATOM 1422 N ILE A 93 8.723 7.755 1.412 1.00 0.00 N ATOM 1423 CA ILE A 93 9.084 6.379 1.775 1.00 0.00 C ATOM 1424 C ILE A 93 8.291 5.382 0.938 1.00 0.00 C ATOM 1425 O ILE A 93 7.066 5.461 0.863 1.00 0.00 O ATOM 1426 CB ILE A 93 8.789 6.133 3.255 1.00 0.00 C ATOM 1427 CG1 ILE A 93 9.562 7.139 4.109 1.00 0.00 C ATOM 1428 CG2 ILE A 93 9.220 4.715 3.633 1.00 0.00 C ATOM 1429 CD1 ILE A 93 9.042 7.085 5.547 1.00 0.00 C ATOM 0 H ILE A 93 7.832 8.074 1.793 1.00 0.00 H new ATOM 0 HA ILE A 93 10.149 6.243 1.585 1.00 0.00 H new ATOM 0 HB ILE A 93 7.720 6.251 3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.627 6.910 4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.443 8.144 3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.010 4.540 4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.669 3.994 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.289 4.599 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.590 7.801 6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.981 7.334 5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.184 6.081 5.948 1.00 0.00 H new ATOM 1441 N ILE A 94 8.999 4.446 0.312 1.00 0.00 N ATOM 1442 CA ILE A 94 8.350 3.439 -0.518 1.00 0.00 C ATOM 1443 C ILE A 94 9.367 2.401 -0.983 1.00 0.00 C ATOM 1444 O ILE A 94 10.486 2.787 -1.281 1.00 0.00 O ATOM 1445 CB ILE A 94 7.693 4.114 -1.728 1.00 0.00 C ATOM 1446 CG1 ILE A 94 7.080 3.060 -2.669 1.00 0.00 C ATOM 1447 CG2 ILE A 94 8.744 4.920 -2.492 1.00 0.00 C ATOM 1448 CD1 ILE A 94 6.090 2.170 -1.903 1.00 0.00 C ATOM 1449 OXT ILE A 94 9.012 1.234 -1.034 1.00 0.00 O ATOM 0 H ILE A 94 10.014 4.365 0.364 1.00 0.00 H new ATOM 0 HA ILE A 94 7.584 2.934 0.070 1.00 0.00 H new ATOM 0 HB ILE A 94 6.901 4.773 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.570 3.554 -3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 94 7.870 2.447 -3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.279 5.401 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.167 5.681 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.537 4.254 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 94 5.665 1.430 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.611 1.661 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.290 2.786 -1.491 1.00 0.00 H new