USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 402 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 24 TYR OH : rot 14:sc= 1.05 USER MOD Set 1.2: A 26 LYS NZ :NH3+ -142:sc= 1.02 (180deg=-0.0175) USER MOD Set 2.1: A 4 HIS : no HD1:sc= -6.78! C(o=-7.2!,f=-8.9!) USER MOD Set 2.2: A 64 LYS NZ :NH3+ -148:sc= -0.429 (180deg=-1.98!) USER MOD Single : A 1 ILE N :NH3+ -161:sc= -0.362! (180deg=-1.32!) USER MOD Single : A 5 THR OG1 : rot 56:sc= -1.44 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.88 K(o=-1.9,f=-6.5!) USER MOD Single : A 27 MET CE :methyl 155:sc= -4.37 (180deg=-6.33!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0318 USER MOD Single : A 35 SER OG : rot 180:sc= 0.114 USER MOD Single : A 38 LYS NZ :NH3+ -126:sc= -0.475 (180deg=-1.26!) USER MOD Single : A 44 CYS SG : rot 64:sc= -0.348 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.247 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 61:sc= 1.1 USER MOD Single : A 61 SER OG : rot -44:sc= 0.134 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.5 K(o=-0.5,f=-3.7!) USER MOD Single : A 68 HIS : no HE2:sc= -0.0915 K(o=-0.092,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.18 K(o=0.18,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.413 13.322 1.517 1.00 0.00 N ATOM 2 CA ILE A 1 -1.025 13.695 1.572 1.00 0.00 C ATOM 3 C ILE A 1 -1.736 12.995 2.725 1.00 0.00 C ATOM 4 O ILE A 1 -2.202 13.641 3.663 1.00 0.00 O ATOM 5 CB ILE A 1 -1.759 13.345 0.262 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.882 13.665 -0.955 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.077 14.099 0.187 1.00 0.00 C ATOM 8 CD1 ILE A 1 -0.293 12.437 -1.618 1.00 0.00 C ATOM 0 H1 ILE A 1 0.933 14.027 0.957 1.00 0.00 H new ATOM 0 H2 ILE A 1 0.801 13.291 2.482 1.00 0.00 H new ATOM 0 H3 ILE A 1 0.512 12.387 1.074 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.054 14.774 1.722 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.967 12.275 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.476 14.213 -1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.071 14.324 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -3.589 13.846 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.704 13.821 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -2.885 15.172 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.315 12.740 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 1 0.329 11.900 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -1.098 11.786 -1.960 1.00 0.00 H new ATOM 22 N VAL A 2 -1.822 11.669 2.643 1.00 0.00 N ATOM 23 CA VAL A 2 -2.484 10.875 3.675 1.00 0.00 C ATOM 24 C VAL A 2 -2.454 9.388 3.314 1.00 0.00 C ATOM 25 O VAL A 2 -1.637 8.967 2.498 1.00 0.00 O ATOM 26 CB VAL A 2 -3.944 11.339 3.904 1.00 0.00 C ATOM 27 CG1 VAL A 2 -4.021 12.255 5.117 1.00 0.00 C ATOM 28 CG2 VAL A 2 -4.507 12.032 2.665 1.00 0.00 C ATOM 0 H VAL A 2 -1.441 11.121 1.871 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.935 11.025 4.604 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.555 10.456 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.052 12.574 5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.675 11.719 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.391 13.129 4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.533 12.346 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.899 12.905 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.491 11.340 1.823 1.00 0.00 H new ATOM 38 N CYS A 3 -3.327 8.588 3.928 1.00 0.00 N ATOM 39 CA CYS A 3 -3.359 7.153 3.655 1.00 0.00 C ATOM 40 C CYS A 3 -4.608 6.749 2.851 1.00 0.00 C ATOM 41 O CYS A 3 -5.167 7.564 2.121 1.00 0.00 O ATOM 42 CB CYS A 3 -3.253 6.372 4.969 1.00 0.00 C ATOM 43 SG CYS A 3 -1.566 6.330 5.673 1.00 0.00 S ATOM 0 H CYS A 3 -4.014 8.906 4.611 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.500 6.903 3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.930 6.816 5.699 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.591 5.350 4.801 1.00 0.00 H new ATOM 48 N HIS A 4 -5.009 5.474 2.971 1.00 0.00 N ATOM 49 CA HIS A 4 -6.155 4.909 2.244 1.00 0.00 C ATOM 50 C HIS A 4 -7.115 5.953 1.705 1.00 0.00 C ATOM 51 O HIS A 4 -7.604 6.818 2.432 1.00 0.00 O ATOM 52 CB HIS A 4 -6.884 3.906 3.127 1.00 0.00 C ATOM 53 CG HIS A 4 -5.978 2.811 3.580 1.00 0.00 C ATOM 54 ND1 HIS A 4 -5.181 2.096 2.714 1.00 0.00 N ATOM 55 CD2 HIS A 4 -5.692 2.353 4.817 1.00 0.00 C ATOM 56 CE1 HIS A 4 -4.440 1.250 3.401 1.00 0.00 C ATOM 57 NE2 HIS A 4 -4.730 1.385 4.684 1.00 0.00 N ATOM 0 H HIS A 4 -4.543 4.801 3.580 1.00 0.00 H new ATOM 0 HA HIS A 4 -5.750 4.405 1.367 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -7.298 4.419 3.995 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.724 3.480 2.578 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.139 2.687 5.742 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.718 0.562 2.986 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -4.308 0.857 5.448 1.00 0.00 H new ATOM 66 N THR A 5 -7.365 5.853 0.404 1.00 0.00 N ATOM 67 CA THR A 5 -8.249 6.763 -0.292 1.00 0.00 C ATOM 68 C THR A 5 -9.078 6.017 -1.332 1.00 0.00 C ATOM 69 O THR A 5 -8.578 5.661 -2.399 1.00 0.00 O ATOM 70 CB THR A 5 -7.427 7.860 -0.964 1.00 0.00 C ATOM 71 OG1 THR A 5 -6.761 8.652 0.007 1.00 0.00 O ATOM 72 CG2 THR A 5 -8.267 8.787 -1.812 1.00 0.00 C ATOM 0 H THR A 5 -6.956 5.135 -0.194 1.00 0.00 H new ATOM 0 HA THR A 5 -8.931 7.213 0.430 1.00 0.00 H new ATOM 0 HB THR A 5 -6.714 7.343 -1.607 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.216 8.075 0.582 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.628 9.546 -2.264 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.761 8.214 -2.597 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.018 9.270 -1.188 1.00 0.00 H new ATOM 80 N THR A 6 -10.346 5.784 -1.017 1.00 0.00 N ATOM 81 CA THR A 6 -11.240 5.082 -1.929 1.00 0.00 C ATOM 82 C THR A 6 -11.714 6.001 -3.056 1.00 0.00 C ATOM 83 O THR A 6 -12.424 5.565 -3.962 1.00 0.00 O ATOM 84 CB THR A 6 -12.446 4.526 -1.168 1.00 0.00 C ATOM 85 OG1 THR A 6 -12.973 5.500 -0.283 1.00 0.00 O ATOM 86 CG2 THR A 6 -12.121 3.292 -0.353 1.00 0.00 C ATOM 0 H THR A 6 -10.778 6.070 -0.138 1.00 0.00 H new ATOM 0 HA THR A 6 -10.684 4.256 -2.372 1.00 0.00 H new ATOM 0 HB THR A 6 -13.172 4.255 -1.934 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.744 5.127 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.019 2.949 0.161 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.758 2.505 -1.014 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.352 3.533 0.381 1.00 0.00 H new ATOM 94 N ALA A 7 -11.316 7.274 -3.000 1.00 0.00 N ATOM 95 CA ALA A 7 -11.705 8.243 -4.021 1.00 0.00 C ATOM 96 C ALA A 7 -13.215 8.240 -4.246 1.00 0.00 C ATOM 97 O ALA A 7 -13.686 8.460 -5.362 1.00 0.00 O ATOM 98 CB ALA A 7 -10.976 7.954 -5.324 1.00 0.00 C ATOM 0 H ALA A 7 -10.726 7.655 -2.260 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.423 9.235 -3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.274 8.683 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.900 8.020 -5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.230 6.952 -5.669 1.00 0.00 H new ATOM 104 N THR A 8 -13.970 7.989 -3.180 1.00 0.00 N ATOM 105 CA THR A 8 -15.426 7.959 -3.266 1.00 0.00 C ATOM 106 C THR A 8 -16.062 8.118 -1.888 1.00 0.00 C ATOM 107 O THR A 8 -16.986 8.911 -1.709 1.00 0.00 O ATOM 108 CB THR A 8 -15.891 6.651 -3.910 1.00 0.00 C ATOM 109 OG1 THR A 8 -17.297 6.650 -4.083 1.00 0.00 O ATOM 110 CG2 THR A 8 -15.526 5.425 -3.103 1.00 0.00 C ATOM 0 H THR A 8 -13.598 7.804 -2.248 1.00 0.00 H new ATOM 0 HA THR A 8 -15.744 8.796 -3.887 1.00 0.00 H new ATOM 0 HB THR A 8 -15.376 6.601 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.575 5.807 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.885 4.532 -3.615 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.443 5.370 -2.994 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.987 5.488 -2.117 1.00 0.00 H new ATOM 223 N PRO A 17 0.213 12.235 6.927 1.00 0.00 N ATOM 224 CA PRO A 17 0.020 13.391 6.031 1.00 0.00 C ATOM 225 C PRO A 17 1.279 13.853 5.280 1.00 0.00 C ATOM 226 O PRO A 17 1.227 14.081 4.072 1.00 0.00 O ATOM 227 CB PRO A 17 -0.457 14.508 6.974 1.00 0.00 C ATOM 228 CG PRO A 17 -0.831 13.830 8.250 1.00 0.00 C ATOM 229 CD PRO A 17 0.028 12.605 8.340 1.00 0.00 C ATOM 0 HA PRO A 17 -0.676 13.126 5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.330 15.244 7.138 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.308 15.041 6.550 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.663 14.487 9.104 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.888 13.565 8.255 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.978 12.812 8.832 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.458 11.810 8.906 1.00 0.00 H new ATOM 237 N PRO A 18 2.416 14.037 5.978 1.00 0.00 N ATOM 238 CA PRO A 18 3.658 14.514 5.353 1.00 0.00 C ATOM 239 C PRO A 18 4.014 13.783 4.061 1.00 0.00 C ATOM 240 O PRO A 18 3.589 12.652 3.828 1.00 0.00 O ATOM 241 CB PRO A 18 4.712 14.258 6.427 1.00 0.00 C ATOM 242 CG PRO A 18 3.963 14.353 7.710 1.00 0.00 C ATOM 243 CD PRO A 18 2.582 13.825 7.427 1.00 0.00 C ATOM 0 HA PRO A 18 3.573 15.557 5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.172 13.277 6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.515 14.994 6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.451 13.769 8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.922 15.384 8.062 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.495 12.771 7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.824 14.360 7.999 1.00 0.00 H new ATOM 251 N GLY A 19 4.807 14.452 3.222 1.00 0.00 N ATOM 252 CA GLY A 19 5.231 13.877 1.959 1.00 0.00 C ATOM 253 C GLY A 19 4.077 13.341 1.132 1.00 0.00 C ATOM 254 O GLY A 19 2.915 13.583 1.450 1.00 0.00 O ATOM 0 H GLY A 19 5.164 15.391 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.763 14.634 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.937 13.070 2.153 1.00 0.00 H new ATOM 258 N GLU A 20 4.403 12.608 0.070 1.00 0.00 N ATOM 259 CA GLU A 20 3.389 12.032 -0.805 1.00 0.00 C ATOM 260 C GLU A 20 2.542 11.010 -0.036 1.00 0.00 C ATOM 261 O GLU A 20 1.926 11.357 0.970 1.00 0.00 O ATOM 262 CB GLU A 20 4.059 11.400 -2.030 1.00 0.00 C ATOM 263 CG GLU A 20 5.190 10.449 -1.680 1.00 0.00 C ATOM 264 CD GLU A 20 5.479 9.457 -2.788 1.00 0.00 C ATOM 265 OE1 GLU A 20 5.146 9.756 -3.954 1.00 0.00 O ATOM 266 OE2 GLU A 20 6.038 8.380 -2.491 1.00 0.00 O ATOM 0 H GLU A 20 5.363 12.400 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 20 2.720 12.819 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.308 10.861 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.446 12.192 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.091 11.024 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.936 9.907 -0.769 1.00 0.00 H new ATOM 273 N ASN A 21 2.509 9.752 -0.487 1.00 0.00 N ATOM 274 CA ASN A 21 1.735 8.733 0.202 1.00 0.00 C ATOM 275 C ASN A 21 2.551 8.118 1.334 1.00 0.00 C ATOM 276 O ASN A 21 2.674 6.896 1.414 1.00 0.00 O ATOM 277 CB ASN A 21 1.306 7.642 -0.784 1.00 0.00 C ATOM 278 CG ASN A 21 2.490 6.968 -1.452 1.00 0.00 C ATOM 279 OD1 ASN A 21 3.016 7.459 -2.451 1.00 0.00 O ATOM 280 ND2 ASN A 21 2.917 5.834 -0.904 1.00 0.00 N ATOM 0 H ASN A 21 3.005 9.425 -1.316 1.00 0.00 H new ATOM 0 HA ASN A 21 0.846 9.201 0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.714 6.893 -0.258 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.662 8.079 -1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.709 5.337 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.453 5.461 -0.076 1.00 0.00 H new ATOM 287 N LEU A 22 3.118 8.973 2.203 1.00 0.00 N ATOM 288 CA LEU A 22 3.938 8.518 3.329 1.00 0.00 C ATOM 289 C LEU A 22 3.776 7.023 3.540 1.00 0.00 C ATOM 290 O LEU A 22 4.690 6.259 3.248 1.00 0.00 O ATOM 291 CB LEU A 22 3.585 9.279 4.607 1.00 0.00 C ATOM 292 CG LEU A 22 4.663 10.245 5.105 1.00 0.00 C ATOM 293 CD1 LEU A 22 4.150 11.061 6.282 1.00 0.00 C ATOM 294 CD2 LEU A 22 5.922 9.484 5.492 1.00 0.00 C ATOM 0 H LEU A 22 3.020 9.986 2.143 1.00 0.00 H new ATOM 0 HA LEU A 22 4.981 8.723 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.667 9.841 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.374 8.556 5.395 1.00 0.00 H new ATOM 0 HG LEU A 22 4.910 10.931 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.931 11.741 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.277 11.636 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.874 10.391 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.678 10.186 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.689 8.774 6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.303 8.945 4.624 1.00 0.00 H new ATOM 306 N CYS A 23 2.600 6.599 4.001 1.00 0.00 N ATOM 307 CA CYS A 23 2.345 5.175 4.189 1.00 0.00 C ATOM 308 C CYS A 23 2.599 4.443 2.881 1.00 0.00 C ATOM 309 O CYS A 23 1.674 4.088 2.149 1.00 0.00 O ATOM 310 CB CYS A 23 0.926 4.907 4.681 1.00 0.00 C ATOM 311 SG CYS A 23 -0.340 6.070 4.073 1.00 0.00 S ATOM 0 H CYS A 23 1.822 7.211 4.247 1.00 0.00 H new ATOM 0 HA CYS A 23 3.024 4.807 4.958 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.641 3.897 4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.926 4.932 5.771 1.00 0.00 H new ATOM 316 N TYR A 24 3.876 4.257 2.598 1.00 0.00 N ATOM 317 CA TYR A 24 4.324 3.605 1.377 1.00 0.00 C ATOM 318 C TYR A 24 3.927 2.144 1.347 1.00 0.00 C ATOM 319 O TYR A 24 3.924 1.462 2.370 1.00 0.00 O ATOM 320 CB TYR A 24 5.842 3.752 1.221 1.00 0.00 C ATOM 321 CG TYR A 24 6.671 2.985 2.237 1.00 0.00 C ATOM 322 CD1 TYR A 24 6.140 2.568 3.457 1.00 0.00 C ATOM 323 CD2 TYR A 24 8.001 2.685 1.971 1.00 0.00 C ATOM 324 CE1 TYR A 24 6.912 1.876 4.371 1.00 0.00 C ATOM 325 CE2 TYR A 24 8.777 1.995 2.882 1.00 0.00 C ATOM 326 CZ TYR A 24 8.229 1.592 4.079 1.00 0.00 C ATOM 327 OH TYR A 24 9.000 0.906 4.990 1.00 0.00 O ATOM 0 H TYR A 24 4.636 4.555 3.210 1.00 0.00 H new ATOM 0 HA TYR A 24 3.833 4.097 0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.123 3.420 0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.098 4.809 1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.109 2.789 3.691 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.437 2.997 1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.485 1.559 5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.809 1.773 2.656 1.00 0.00 H new ATOM 0 HH TYR A 24 8.422 0.507 5.673 1.00 0.00 H new ATOM 337 N ARG A 25 3.584 1.674 0.158 1.00 0.00 N ATOM 338 CA ARG A 25 3.173 0.297 -0.022 1.00 0.00 C ATOM 339 C ARG A 25 4.304 -0.531 -0.615 1.00 0.00 C ATOM 340 O ARG A 25 5.130 -0.025 -1.375 1.00 0.00 O ATOM 341 CB ARG A 25 1.931 0.227 -0.914 1.00 0.00 C ATOM 342 CG ARG A 25 0.946 1.369 -0.690 1.00 0.00 C ATOM 343 CD ARG A 25 0.123 1.164 0.573 1.00 0.00 C ATOM 344 NE ARG A 25 0.822 1.636 1.767 1.00 0.00 N ATOM 345 CZ ARG A 25 0.567 1.200 2.999 1.00 0.00 C ATOM 346 NH1 ARG A 25 -0.385 0.299 3.208 1.00 0.00 N ATOM 347 NH2 ARG A 25 1.259 1.671 4.028 1.00 0.00 N ATOM 0 H ARG A 25 3.583 2.230 -0.697 1.00 0.00 H new ATOM 0 HA ARG A 25 2.925 -0.119 0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.245 0.230 -1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.421 -0.720 -0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.491 2.311 -0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.280 1.449 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.826 1.692 0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.111 0.105 0.685 1.00 0.00 H new ATOM 0 HE ARG A 25 1.549 2.342 1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.926 -0.063 2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.576 -0.031 4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.988 2.368 3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.062 1.336 4.971 1.00 0.00 H new ATOM 361 N LYS A 26 4.339 -1.804 -0.250 1.00 0.00 N ATOM 362 CA LYS A 26 5.373 -2.713 -0.729 1.00 0.00 C ATOM 363 C LYS A 26 5.037 -4.154 -0.360 1.00 0.00 C ATOM 364 O LYS A 26 4.441 -4.409 0.684 1.00 0.00 O ATOM 365 CB LYS A 26 6.727 -2.328 -0.131 1.00 0.00 C ATOM 366 CG LYS A 26 6.807 -2.536 1.372 1.00 0.00 C ATOM 367 CD LYS A 26 7.743 -1.532 2.025 1.00 0.00 C ATOM 368 CE LYS A 26 7.563 -1.504 3.534 1.00 0.00 C ATOM 369 NZ LYS A 26 8.867 -1.581 4.248 1.00 0.00 N ATOM 0 H LYS A 26 3.661 -2.234 0.379 1.00 0.00 H new ATOM 0 HA LYS A 26 5.423 -2.634 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.508 -2.915 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.930 -1.281 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.812 -2.443 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.153 -3.548 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.776 -1.786 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.556 -0.539 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.045 -0.589 3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.931 -2.338 3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.763 -2.170 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.582 -2.002 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.169 -0.625 4.524 1.00 0.00 H new ATOM 383 N MET A 27 5.423 -5.091 -1.226 1.00 0.00 N ATOM 384 CA MET A 27 5.165 -6.517 -1.002 1.00 0.00 C ATOM 385 C MET A 27 5.438 -6.932 0.450 1.00 0.00 C ATOM 386 O MET A 27 5.887 -6.130 1.269 1.00 0.00 O ATOM 387 CB MET A 27 6.019 -7.357 -1.961 1.00 0.00 C ATOM 388 CG MET A 27 7.437 -7.620 -1.468 1.00 0.00 C ATOM 389 SD MET A 27 8.285 -6.119 -0.938 1.00 0.00 S ATOM 390 CE MET A 27 8.830 -6.594 0.701 1.00 0.00 C ATOM 0 H MET A 27 5.918 -4.888 -2.094 1.00 0.00 H new ATOM 0 HA MET A 27 4.108 -6.697 -1.198 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.522 -8.312 -2.130 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.070 -6.849 -2.924 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.403 -8.325 -0.637 1.00 0.00 H new ATOM 0 HG3 MET A 27 8.011 -8.094 -2.264 1.00 0.00 H new ATOM 0 HE1 MET A 27 9.703 -6.004 0.980 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.028 -6.416 1.417 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.091 -7.652 0.705 1.00 0.00 H new ATOM 400 N TRP A 28 5.156 -8.195 0.758 1.00 0.00 N ATOM 401 CA TRP A 28 5.355 -8.726 2.108 1.00 0.00 C ATOM 402 C TRP A 28 6.685 -9.472 2.230 1.00 0.00 C ATOM 403 O TRP A 28 7.566 -9.334 1.381 1.00 0.00 O ATOM 404 CB TRP A 28 4.191 -9.656 2.489 1.00 0.00 C ATOM 405 CG TRP A 28 3.596 -10.396 1.327 1.00 0.00 C ATOM 406 CD1 TRP A 28 2.315 -10.299 0.876 1.00 0.00 C ATOM 407 CD2 TRP A 28 4.252 -11.342 0.470 1.00 0.00 C ATOM 408 NE1 TRP A 28 2.129 -11.119 -0.211 1.00 0.00 N ATOM 409 CE2 TRP A 28 3.304 -11.770 -0.480 1.00 0.00 C ATOM 410 CE3 TRP A 28 5.547 -11.866 0.410 1.00 0.00 C ATOM 411 CZ2 TRP A 28 3.611 -12.694 -1.475 1.00 0.00 C ATOM 412 CZ3 TRP A 28 5.849 -12.784 -0.578 1.00 0.00 C ATOM 413 CH2 TRP A 28 4.885 -13.190 -1.509 1.00 0.00 C ATOM 0 H TRP A 28 4.788 -8.873 0.091 1.00 0.00 H new ATOM 0 HA TRP A 28 5.382 -7.881 2.796 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.543 -10.379 3.225 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.410 -9.066 2.969 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.554 -9.668 1.310 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.259 -11.225 -0.732 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.298 -11.559 1.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.869 -13.008 -2.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.846 -13.195 -0.633 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.153 -13.909 -2.269 1.00 0.00 H new ATOM 424 N CYS A 29 6.812 -10.263 3.300 1.00 0.00 N ATOM 425 CA CYS A 29 8.011 -11.058 3.573 1.00 0.00 C ATOM 426 C CYS A 29 9.113 -10.227 4.217 1.00 0.00 C ATOM 427 O CYS A 29 10.024 -9.745 3.544 1.00 0.00 O ATOM 428 CB CYS A 29 8.533 -11.752 2.307 1.00 0.00 C ATOM 429 SG CYS A 29 8.054 -13.507 2.177 1.00 0.00 S ATOM 0 H CYS A 29 6.082 -10.370 4.004 1.00 0.00 H new ATOM 0 HA CYS A 29 7.715 -11.828 4.285 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.162 -11.218 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.620 -11.680 2.287 1.00 0.00 H new ATOM 434 N ASP A 30 9.028 -10.093 5.536 1.00 0.00 N ATOM 435 CA ASP A 30 10.019 -9.354 6.306 1.00 0.00 C ATOM 436 C ASP A 30 10.866 -10.329 7.120 1.00 0.00 C ATOM 437 O ASP A 30 12.047 -10.089 7.374 1.00 0.00 O ATOM 438 CB ASP A 30 9.336 -8.348 7.234 1.00 0.00 C ATOM 439 CG ASP A 30 8.319 -9.003 8.148 1.00 0.00 C ATOM 440 OD1 ASP A 30 8.727 -9.804 9.015 1.00 0.00 O ATOM 441 OD2 ASP A 30 7.112 -8.714 7.997 1.00 0.00 O ATOM 0 H ASP A 30 8.275 -10.491 6.097 1.00 0.00 H new ATOM 0 HA ASP A 30 10.662 -8.805 5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.091 -7.844 7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.843 -7.582 6.635 1.00 0.00 H new ATOM 446 N ALA A 31 10.245 -11.439 7.516 1.00 0.00 N ATOM 447 CA ALA A 31 10.918 -12.474 8.291 1.00 0.00 C ATOM 448 C ALA A 31 10.493 -13.859 7.810 1.00 0.00 C ATOM 449 O ALA A 31 11.324 -14.752 7.640 1.00 0.00 O ATOM 450 CB ALA A 31 10.614 -12.308 9.772 1.00 0.00 C ATOM 0 H ALA A 31 9.267 -11.643 7.309 1.00 0.00 H new ATOM 0 HA ALA A 31 11.994 -12.373 8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.123 -13.088 10.338 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.961 -11.331 10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.539 -12.386 9.934 1.00 0.00 H new ATOM 456 N PHE A 32 9.192 -14.025 7.589 1.00 0.00 N ATOM 457 CA PHE A 32 8.641 -15.293 7.119 1.00 0.00 C ATOM 458 C PHE A 32 7.287 -15.072 6.451 1.00 0.00 C ATOM 459 O PHE A 32 6.547 -14.159 6.820 1.00 0.00 O ATOM 460 CB PHE A 32 8.496 -16.275 8.284 1.00 0.00 C ATOM 461 CG PHE A 32 8.698 -17.710 7.887 1.00 0.00 C ATOM 462 CD1 PHE A 32 9.967 -18.197 7.621 1.00 0.00 C ATOM 463 CD2 PHE A 32 7.617 -18.572 7.782 1.00 0.00 C ATOM 464 CE1 PHE A 32 10.156 -19.517 7.257 1.00 0.00 C ATOM 465 CE2 PHE A 32 7.800 -19.892 7.419 1.00 0.00 C ATOM 466 CZ PHE A 32 9.071 -20.365 7.155 1.00 0.00 C ATOM 0 H PHE A 32 8.496 -13.293 7.729 1.00 0.00 H new ATOM 0 HA PHE A 32 9.328 -15.715 6.386 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.217 -16.016 9.059 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.504 -16.164 8.721 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.819 -17.538 7.699 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.621 -18.207 7.986 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.151 -19.885 7.053 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.950 -20.554 7.342 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.216 -21.396 6.869 1.00 0.00 H new ATOM 476 N CYS A 33 6.965 -15.906 5.466 1.00 0.00 N ATOM 477 CA CYS A 33 5.697 -15.784 4.754 1.00 0.00 C ATOM 478 C CYS A 33 4.907 -17.084 4.789 1.00 0.00 C ATOM 479 O CYS A 33 4.453 -17.569 3.752 1.00 0.00 O ATOM 480 CB CYS A 33 5.923 -15.368 3.300 1.00 0.00 C ATOM 481 SG CYS A 33 6.229 -13.587 3.069 1.00 0.00 S ATOM 0 H CYS A 33 7.561 -16.669 5.144 1.00 0.00 H new ATOM 0 HA CYS A 33 5.120 -15.012 5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.771 -15.925 2.903 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.051 -15.654 2.713 1.00 0.00 H new ATOM 486 N SER A 34 4.713 -17.633 5.982 1.00 0.00 N ATOM 487 CA SER A 34 3.936 -18.856 6.125 1.00 0.00 C ATOM 488 C SER A 34 2.467 -18.526 5.893 1.00 0.00 C ATOM 489 O SER A 34 1.636 -18.645 6.793 1.00 0.00 O ATOM 490 CB SER A 34 4.134 -19.463 7.516 1.00 0.00 C ATOM 491 OG SER A 34 4.390 -18.456 8.480 1.00 0.00 O ATOM 0 H SER A 34 5.079 -17.255 6.856 1.00 0.00 H new ATOM 0 HA SER A 34 4.271 -19.590 5.393 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.245 -20.026 7.801 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.964 -20.169 7.493 1.00 0.00 H new ATOM 0 HG SER A 34 4.511 -18.869 9.360 1.00 0.00 H new ATOM 497 N SER A 35 2.171 -18.064 4.683 1.00 0.00 N ATOM 498 CA SER A 35 0.824 -17.661 4.319 1.00 0.00 C ATOM 499 C SER A 35 0.525 -18.001 2.860 1.00 0.00 C ATOM 500 O SER A 35 1.202 -18.834 2.257 1.00 0.00 O ATOM 501 CB SER A 35 0.687 -16.156 4.547 1.00 0.00 C ATOM 502 OG SER A 35 -0.664 -15.790 4.769 1.00 0.00 O ATOM 0 H SER A 35 2.855 -17.960 3.934 1.00 0.00 H new ATOM 0 HA SER A 35 0.108 -18.201 4.938 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.292 -15.859 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.074 -15.618 3.682 1.00 0.00 H new ATOM 0 HG SER A 35 -0.721 -14.822 4.913 1.00 0.00 H new ATOM 508 N ARG A 36 -0.496 -17.356 2.297 1.00 0.00 N ATOM 509 CA ARG A 36 -0.879 -17.600 0.912 1.00 0.00 C ATOM 510 C ARG A 36 -1.481 -16.351 0.259 1.00 0.00 C ATOM 511 O ARG A 36 -1.235 -16.081 -0.916 1.00 0.00 O ATOM 512 CB ARG A 36 -1.883 -18.751 0.851 1.00 0.00 C ATOM 513 CG ARG A 36 -1.286 -20.056 0.349 1.00 0.00 C ATOM 514 CD ARG A 36 -1.378 -21.153 1.398 1.00 0.00 C ATOM 515 NE ARG A 36 -0.568 -22.317 1.047 1.00 0.00 N ATOM 516 CZ ARG A 36 0.746 -22.392 1.242 1.00 0.00 C ATOM 517 NH1 ARG A 36 1.405 -21.373 1.781 1.00 0.00 N ATOM 518 NH2 ARG A 36 1.405 -23.490 0.897 1.00 0.00 N ATOM 0 H ARG A 36 -1.069 -16.663 2.779 1.00 0.00 H new ATOM 0 HA ARG A 36 0.022 -17.863 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.300 -18.911 1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.710 -18.466 0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.807 -20.371 -0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.242 -19.899 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.051 -20.761 2.361 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.418 -21.457 1.514 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.038 -23.120 0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.904 -20.526 2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.412 -21.437 1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.904 -24.276 0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.412 -23.548 1.046 1.00 0.00 H new ATOM 532 N GLY A 37 -2.285 -15.607 1.016 1.00 0.00 N ATOM 533 CA GLY A 37 -2.921 -14.415 0.476 1.00 0.00 C ATOM 534 C GLY A 37 -2.105 -13.148 0.665 1.00 0.00 C ATOM 535 O GLY A 37 -1.092 -12.951 -0.004 1.00 0.00 O ATOM 0 H GLY A 37 -2.507 -15.807 1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.105 -14.563 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.893 -14.285 0.952 1.00 0.00 H new ATOM 539 N LYS A 38 -2.564 -12.288 1.579 1.00 0.00 N ATOM 540 CA LYS A 38 -1.907 -11.016 1.881 1.00 0.00 C ATOM 541 C LYS A 38 -1.399 -10.325 0.613 1.00 0.00 C ATOM 542 O LYS A 38 -1.778 -10.694 -0.498 1.00 0.00 O ATOM 543 CB LYS A 38 -0.760 -11.250 2.859 1.00 0.00 C ATOM 544 CG LYS A 38 0.362 -12.072 2.269 1.00 0.00 C ATOM 545 CD LYS A 38 0.231 -13.542 2.618 1.00 0.00 C ATOM 546 CE LYS A 38 0.909 -14.419 1.577 1.00 0.00 C ATOM 547 NZ LYS A 38 2.357 -14.612 1.869 1.00 0.00 N ATOM 0 H LYS A 38 -3.405 -12.456 2.131 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.643 -10.354 2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.365 -10.287 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.144 -11.753 3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.366 -11.955 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.318 -11.696 2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.674 -13.727 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.823 -13.808 2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.414 -15.389 1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.795 -13.967 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.918 -14.341 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.630 -14.019 2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.535 -15.611 2.097 1.00 0.00 H new ATOM 627 N GLY A 43 4.395 0.632 5.800 1.00 0.00 N ATOM 628 CA GLY A 43 4.707 1.357 7.025 1.00 0.00 C ATOM 629 C GLY A 43 4.418 2.849 6.903 1.00 0.00 C ATOM 630 O GLY A 43 3.286 3.285 7.111 1.00 0.00 O ATOM 0 HA2 GLY A 43 4.125 0.942 7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.758 1.212 7.273 1.00 0.00 H new ATOM 634 N CYS A 44 5.442 3.631 6.549 1.00 0.00 N ATOM 635 CA CYS A 44 5.292 5.080 6.379 1.00 0.00 C ATOM 636 C CYS A 44 6.612 5.721 5.962 1.00 0.00 C ATOM 637 O CYS A 44 7.595 5.710 6.703 1.00 0.00 O ATOM 638 CB CYS A 44 4.741 5.746 7.649 1.00 0.00 C ATOM 639 SG CYS A 44 2.954 6.141 7.562 1.00 0.00 S ATOM 0 H CYS A 44 6.385 3.285 6.374 1.00 0.00 H new ATOM 0 HA CYS A 44 4.566 5.240 5.581 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.917 5.087 8.499 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.298 6.664 7.837 1.00 0.00 H new ATOM 0 HG CYS A 44 2.270 5.039 7.468 1.00 0.00 H new ATOM 644 N ALA A 45 6.608 6.269 4.752 1.00 0.00 N ATOM 645 CA ALA A 45 7.771 6.920 4.171 1.00 0.00 C ATOM 646 C ALA A 45 7.400 7.530 2.828 1.00 0.00 C ATOM 647 O ALA A 45 6.966 6.825 1.916 1.00 0.00 O ATOM 648 CB ALA A 45 8.914 5.926 4.014 1.00 0.00 C ATOM 0 H ALA A 45 5.789 6.273 4.144 1.00 0.00 H new ATOM 0 HA ALA A 45 8.104 7.715 4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.777 6.430 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.184 5.524 4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.601 5.112 3.361 1.00 0.00 H new ATOM 654 N ALA A 46 7.556 8.842 2.713 1.00 0.00 N ATOM 655 CA ALA A 46 7.221 9.549 1.481 1.00 0.00 C ATOM 656 C ALA A 46 8.200 9.243 0.371 1.00 0.00 C ATOM 657 O ALA A 46 8.693 10.151 -0.299 1.00 0.00 O ATOM 658 CB ALA A 46 7.156 11.044 1.737 1.00 0.00 C ATOM 0 H ALA A 46 7.913 9.440 3.458 1.00 0.00 H new ATOM 0 HA ALA A 46 6.242 9.199 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.905 11.561 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.393 11.252 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.123 11.394 2.098 1.00 0.00 H new ATOM 664 N THR A 47 8.480 7.959 0.169 1.00 0.00 N ATOM 665 CA THR A 47 9.408 7.556 -0.872 1.00 0.00 C ATOM 666 C THR A 47 9.667 6.052 -0.837 1.00 0.00 C ATOM 667 O THR A 47 9.372 5.379 0.150 1.00 0.00 O ATOM 668 CB THR A 47 10.704 8.348 -0.696 1.00 0.00 C ATOM 669 OG1 THR A 47 11.144 8.877 -1.934 1.00 0.00 O ATOM 670 CG2 THR A 47 11.850 7.555 -0.097 1.00 0.00 C ATOM 0 H THR A 47 8.081 7.190 0.708 1.00 0.00 H new ATOM 0 HA THR A 47 8.976 7.773 -1.849 1.00 0.00 H new ATOM 0 HB THR A 47 10.445 9.139 0.008 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.973 9.381 -1.798 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.728 8.195 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.564 7.192 0.890 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.082 6.707 -0.742 1.00 0.00 H new ATOM 678 N CYS A 48 10.225 5.538 -1.926 1.00 0.00 N ATOM 679 CA CYS A 48 10.535 4.117 -2.034 1.00 0.00 C ATOM 680 C CYS A 48 11.976 3.919 -2.499 1.00 0.00 C ATOM 681 O CYS A 48 12.236 3.756 -3.692 1.00 0.00 O ATOM 682 CB CYS A 48 9.568 3.425 -3.003 1.00 0.00 C ATOM 683 SG CYS A 48 9.107 4.428 -4.455 1.00 0.00 S ATOM 0 H CYS A 48 10.473 6.086 -2.750 1.00 0.00 H new ATOM 0 HA CYS A 48 10.420 3.667 -1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.022 2.496 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.662 3.155 -2.461 1.00 0.00 H new ATOM 688 N PRO A 49 12.936 3.941 -1.558 1.00 0.00 N ATOM 689 CA PRO A 49 14.357 3.774 -1.873 1.00 0.00 C ATOM 690 C PRO A 49 14.727 2.324 -2.170 1.00 0.00 C ATOM 691 O PRO A 49 15.452 2.042 -3.125 1.00 0.00 O ATOM 692 CB PRO A 49 15.053 4.255 -0.602 1.00 0.00 C ATOM 693 CG PRO A 49 14.081 3.966 0.489 1.00 0.00 C ATOM 694 CD PRO A 49 12.711 4.139 -0.113 1.00 0.00 C ATOM 0 HA PRO A 49 14.643 4.323 -2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.995 3.731 -0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.285 5.319 -0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.214 2.954 0.871 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.226 4.645 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.004 3.412 0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.303 5.128 0.097 1.00 0.00 H new ATOM 702 N SER A 50 14.229 1.407 -1.347 1.00 0.00 N ATOM 703 CA SER A 50 14.516 -0.013 -1.525 1.00 0.00 C ATOM 704 C SER A 50 14.081 -0.486 -2.915 1.00 0.00 C ATOM 705 O SER A 50 14.775 -0.237 -3.901 1.00 0.00 O ATOM 706 CB SER A 50 13.832 -0.836 -0.429 1.00 0.00 C ATOM 707 OG SER A 50 13.929 -2.225 -0.697 1.00 0.00 O ATOM 0 H SER A 50 13.626 1.620 -0.552 1.00 0.00 H new ATOM 0 HA SER A 50 15.593 -0.160 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.291 -0.616 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.783 -0.549 -0.356 1.00 0.00 H new ATOM 0 HG SER A 50 13.486 -2.728 0.018 1.00 0.00 H new ATOM 713 N LYS A 51 12.932 -1.165 -2.997 1.00 0.00 N ATOM 714 CA LYS A 51 12.422 -1.661 -4.274 1.00 0.00 C ATOM 715 C LYS A 51 13.533 -2.317 -5.094 1.00 0.00 C ATOM 716 O LYS A 51 14.052 -1.723 -6.039 1.00 0.00 O ATOM 717 CB LYS A 51 11.792 -0.517 -5.069 1.00 0.00 C ATOM 718 CG LYS A 51 10.994 -0.979 -6.277 1.00 0.00 C ATOM 719 CD LYS A 51 11.033 0.050 -7.394 1.00 0.00 C ATOM 720 CE LYS A 51 10.425 1.372 -6.953 1.00 0.00 C ATOM 721 NZ LYS A 51 10.796 2.488 -7.866 1.00 0.00 N ATOM 0 H LYS A 51 12.341 -1.382 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 51 11.663 -2.414 -4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.139 0.055 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.580 0.159 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.394 -1.926 -6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.960 -1.161 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.065 0.209 -7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.491 -0.330 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.340 1.278 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.758 1.605 -5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.361 3.371 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.830 2.595 -7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.456 2.279 -8.826 1.00 0.00 H new ATOM 735 N LYS A 52 13.894 -3.542 -4.724 1.00 0.00 N ATOM 736 CA LYS A 52 14.944 -4.273 -5.425 1.00 0.00 C ATOM 737 C LYS A 52 15.140 -5.660 -4.814 1.00 0.00 C ATOM 738 O LYS A 52 15.045 -6.671 -5.512 1.00 0.00 O ATOM 739 CB LYS A 52 16.259 -3.488 -5.386 1.00 0.00 C ATOM 740 CG LYS A 52 16.791 -3.121 -6.762 1.00 0.00 C ATOM 741 CD LYS A 52 18.251 -2.707 -6.698 1.00 0.00 C ATOM 742 CE LYS A 52 18.433 -1.429 -5.895 1.00 0.00 C ATOM 743 NZ LYS A 52 18.089 -0.219 -6.691 1.00 0.00 N ATOM 0 H LYS A 52 13.476 -4.049 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 52 14.638 -4.394 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.111 -2.576 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.010 -4.079 -4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.681 -3.971 -7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.198 -2.307 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.838 -3.508 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.633 -2.561 -7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.806 -1.468 -5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.466 -1.358 -5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.226 0.631 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.704 -0.168 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.096 -0.274 -6.994 1.00 0.00 H new ATOM 757 N PRO A 53 15.412 -5.734 -3.498 1.00 0.00 N ATOM 758 CA PRO A 53 15.612 -7.010 -2.806 1.00 0.00 C ATOM 759 C PRO A 53 14.329 -7.831 -2.760 1.00 0.00 C ATOM 760 O PRO A 53 14.240 -8.901 -3.362 1.00 0.00 O ATOM 761 CB PRO A 53 16.041 -6.604 -1.387 1.00 0.00 C ATOM 762 CG PRO A 53 16.382 -5.154 -1.472 1.00 0.00 C ATOM 763 CD PRO A 53 15.538 -4.593 -2.578 1.00 0.00 C ATOM 0 HA PRO A 53 16.347 -7.637 -3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.238 -6.777 -0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 53 16.898 -7.190 -1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.175 -4.649 -0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.442 -5.015 -1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 53 14.567 -4.256 -2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.014 -3.737 -3.057 1.00 0.00 H new ATOM 771 N TYR A 54 13.333 -7.310 -2.050 1.00 0.00 N ATOM 772 CA TYR A 54 12.042 -7.980 -1.931 1.00 0.00 C ATOM 773 C TYR A 54 11.066 -7.466 -2.989 1.00 0.00 C ATOM 774 O TYR A 54 10.014 -8.062 -3.216 1.00 0.00 O ATOM 775 CB TYR A 54 11.457 -7.762 -0.534 1.00 0.00 C ATOM 776 CG TYR A 54 12.465 -7.935 0.580 1.00 0.00 C ATOM 777 CD1 TYR A 54 13.345 -6.911 0.910 1.00 0.00 C ATOM 778 CD2 TYR A 54 12.535 -9.118 1.303 1.00 0.00 C ATOM 779 CE1 TYR A 54 14.266 -7.063 1.928 1.00 0.00 C ATOM 780 CE2 TYR A 54 13.455 -9.278 2.323 1.00 0.00 C ATOM 781 CZ TYR A 54 14.318 -8.248 2.631 1.00 0.00 C ATOM 782 OH TYR A 54 15.234 -8.402 3.645 1.00 0.00 O ATOM 0 H TYR A 54 13.395 -6.425 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 54 12.197 -9.047 -2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.036 -6.758 -0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.635 -8.461 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 54 13.308 -5.981 0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.860 -9.927 1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 54 14.942 -6.257 2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.497 -10.205 2.875 1.00 0.00 H new ATOM 0 HH TYR A 54 15.139 -9.294 4.039 1.00 0.00 H new ATOM 838 N THR A 58 6.074 -0.671 -6.014 1.00 0.00 N ATOM 839 CA THR A 58 6.441 0.425 -6.913 1.00 0.00 C ATOM 840 C THR A 58 5.766 1.734 -6.499 1.00 0.00 C ATOM 841 O THR A 58 5.124 2.402 -7.310 1.00 0.00 O ATOM 842 CB THR A 58 6.111 0.090 -8.375 1.00 0.00 C ATOM 843 OG1 THR A 58 4.775 0.444 -8.695 1.00 0.00 O ATOM 844 CG2 THR A 58 6.297 -1.374 -8.719 1.00 0.00 C ATOM 0 HA THR A 58 7.520 0.557 -6.833 1.00 0.00 H new ATOM 0 HB THR A 58 6.820 0.675 -8.961 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.656 1.410 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.046 -1.536 -9.767 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.335 -1.659 -8.546 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.645 -1.981 -8.091 1.00 0.00 H new ATOM 852 N CYS A 59 5.933 2.100 -5.230 1.00 0.00 N ATOM 853 CA CYS A 59 5.359 3.334 -4.692 1.00 0.00 C ATOM 854 C CYS A 59 3.886 3.486 -5.071 1.00 0.00 C ATOM 855 O CYS A 59 3.282 2.574 -5.638 1.00 0.00 O ATOM 856 CB CYS A 59 6.158 4.543 -5.185 1.00 0.00 C ATOM 857 SG CYS A 59 7.310 5.225 -3.946 1.00 0.00 S ATOM 0 H CYS A 59 6.465 1.556 -4.550 1.00 0.00 H new ATOM 0 HA CYS A 59 5.416 3.281 -3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.723 4.255 -6.072 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.463 5.325 -5.490 1.00 0.00 H new ATOM 862 N CYS A 60 3.311 4.645 -4.748 1.00 0.00 N ATOM 863 CA CYS A 60 1.907 4.916 -5.047 1.00 0.00 C ATOM 864 C CYS A 60 1.723 6.308 -5.635 1.00 0.00 C ATOM 865 O CYS A 60 1.015 6.482 -6.628 1.00 0.00 O ATOM 866 CB CYS A 60 1.060 4.773 -3.784 1.00 0.00 C ATOM 867 SG CYS A 60 0.302 3.124 -3.594 1.00 0.00 S ATOM 0 H CYS A 60 3.797 5.410 -4.280 1.00 0.00 H new ATOM 0 HA CYS A 60 1.579 4.187 -5.788 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.683 4.979 -2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.272 5.526 -3.798 1.00 0.00 H new ATOM 872 N SER A 61 2.353 7.298 -5.014 1.00 0.00 N ATOM 873 CA SER A 61 2.250 8.679 -5.472 1.00 0.00 C ATOM 874 C SER A 61 0.895 9.281 -5.102 1.00 0.00 C ATOM 875 O SER A 61 0.570 10.392 -5.521 1.00 0.00 O ATOM 876 CB SER A 61 2.461 8.762 -6.987 1.00 0.00 C ATOM 877 OG SER A 61 2.808 10.077 -7.384 1.00 0.00 O ATOM 0 H SER A 61 2.941 7.170 -4.191 1.00 0.00 H new ATOM 0 HA SER A 61 3.031 9.253 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.248 8.069 -7.286 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.551 8.452 -7.501 1.00 0.00 H new ATOM 0 HG SER A 61 2.228 10.721 -6.926 1.00 0.00 H new ATOM 883 N THR A 62 0.105 8.548 -4.316 1.00 0.00 N ATOM 884 CA THR A 62 -1.209 9.032 -3.903 1.00 0.00 C ATOM 885 C THR A 62 -1.805 8.174 -2.788 1.00 0.00 C ATOM 886 O THR A 62 -2.416 7.139 -3.047 1.00 0.00 O ATOM 887 CB THR A 62 -2.165 9.063 -5.098 1.00 0.00 C ATOM 888 OG1 THR A 62 -3.446 9.522 -4.702 1.00 0.00 O ATOM 889 CG2 THR A 62 -2.345 7.714 -5.759 1.00 0.00 C ATOM 0 H THR A 62 0.351 7.626 -3.956 1.00 0.00 H new ATOM 0 HA THR A 62 -1.076 10.042 -3.516 1.00 0.00 H new ATOM 0 HB THR A 62 -1.706 9.741 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.043 9.537 -5.479 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.035 7.809 -6.598 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.382 7.354 -6.120 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.749 7.005 -5.036 1.00 0.00 H new ATOM 897 N ASP A 63 -1.641 8.627 -1.547 1.00 0.00 N ATOM 898 CA ASP A 63 -2.181 7.919 -0.387 1.00 0.00 C ATOM 899 C ASP A 63 -1.778 6.447 -0.379 1.00 0.00 C ATOM 900 O ASP A 63 -1.052 5.991 -1.262 1.00 0.00 O ATOM 901 CB ASP A 63 -3.704 8.034 -0.378 1.00 0.00 C ATOM 902 CG ASP A 63 -4.177 9.407 0.058 1.00 0.00 C ATOM 903 OD1 ASP A 63 -4.221 9.660 1.279 1.00 0.00 O ATOM 904 OD2 ASP A 63 -4.507 10.228 -0.823 1.00 0.00 O ATOM 0 H ASP A 63 -1.137 9.484 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.765 8.382 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.088 7.820 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.119 7.280 0.291 1.00 0.00 H new ATOM 909 N LYS A 64 -2.270 5.703 0.624 1.00 0.00 N ATOM 910 CA LYS A 64 -1.979 4.272 0.743 1.00 0.00 C ATOM 911 C LYS A 64 -2.028 3.633 -0.623 1.00 0.00 C ATOM 912 O LYS A 64 -1.011 3.205 -1.158 1.00 0.00 O ATOM 913 CB LYS A 64 -2.999 3.584 1.641 1.00 0.00 C ATOM 914 CG LYS A 64 -2.748 3.784 3.122 1.00 0.00 C ATOM 915 CD LYS A 64 -1.664 2.866 3.638 1.00 0.00 C ATOM 916 CE LYS A 64 -1.666 2.797 5.159 1.00 0.00 C ATOM 917 NZ LYS A 64 -1.708 1.392 5.650 1.00 0.00 N ATOM 0 H LYS A 64 -2.870 6.071 1.362 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.987 4.160 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.993 3.958 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.998 2.516 1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.464 4.820 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.670 3.603 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.807 1.866 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.693 3.217 3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.775 3.291 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.526 3.343 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.229 1.354 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.186 0.793 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.738 1.046 5.797 1.00 0.00 H new ATOM 931 N CYS A 65 -3.221 3.621 -1.204 1.00 0.00 N ATOM 932 CA CYS A 65 -3.398 3.091 -2.540 1.00 0.00 C ATOM 933 C CYS A 65 -2.938 1.647 -2.630 1.00 0.00 C ATOM 934 O CYS A 65 -2.586 1.159 -3.704 1.00 0.00 O ATOM 935 CB CYS A 65 -2.614 4.008 -3.480 1.00 0.00 C ATOM 936 SG CYS A 65 -1.437 3.231 -4.646 1.00 0.00 S ATOM 0 H CYS A 65 -4.074 3.972 -0.769 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.451 3.075 -2.819 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.333 4.583 -4.064 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.059 4.719 -2.868 1.00 0.00 H new ATOM 941 N ASN A 66 -2.932 0.955 -1.503 1.00 0.00 N ATOM 942 CA ASN A 66 -2.487 -0.421 -1.502 1.00 0.00 C ATOM 943 C ASN A 66 -3.215 -1.239 -2.580 1.00 0.00 C ATOM 944 O ASN A 66 -4.438 -1.171 -2.694 1.00 0.00 O ATOM 945 CB ASN A 66 -2.670 -1.056 -0.123 1.00 0.00 C ATOM 946 CG ASN A 66 -4.129 -1.174 0.273 1.00 0.00 C ATOM 947 OD1 ASN A 66 -4.985 -0.450 -0.237 1.00 0.00 O ATOM 948 ND2 ASN A 66 -4.420 -2.091 1.190 1.00 0.00 N ATOM 0 H ASN A 66 -3.225 1.317 -0.596 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.423 -0.426 -1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.215 -2.046 -0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.142 -0.460 0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.384 -2.216 1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.679 -2.669 1.586 1.00 0.00 H new ATOM 955 N PRO A 67 -2.467 -2.003 -3.406 1.00 0.00 N ATOM 956 CA PRO A 67 -3.041 -2.802 -4.492 1.00 0.00 C ATOM 957 C PRO A 67 -3.539 -4.180 -4.055 1.00 0.00 C ATOM 958 O PRO A 67 -3.743 -5.057 -4.895 1.00 0.00 O ATOM 959 CB PRO A 67 -1.874 -2.955 -5.484 1.00 0.00 C ATOM 960 CG PRO A 67 -0.675 -2.325 -4.837 1.00 0.00 C ATOM 961 CD PRO A 67 -1.009 -2.131 -3.384 1.00 0.00 C ATOM 0 HA PRO A 67 -3.925 -2.314 -4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.688 -4.006 -5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.104 -2.467 -6.431 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.203 -2.962 -4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.439 -1.371 -5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.685 -2.977 -2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.530 -1.242 -2.973 1.00 0.00 H new ATOM 969 N HIS A 68 -3.737 -4.374 -2.753 1.00 0.00 N ATOM 970 CA HIS A 68 -4.218 -5.656 -2.234 1.00 0.00 C ATOM 971 C HIS A 68 -5.347 -6.224 -3.099 1.00 0.00 C ATOM 972 O HIS A 68 -5.306 -7.391 -3.491 1.00 0.00 O ATOM 973 CB HIS A 68 -4.700 -5.505 -0.788 1.00 0.00 C ATOM 974 CG HIS A 68 -4.607 -6.773 0.002 1.00 0.00 C ATOM 975 ND1 HIS A 68 -5.131 -7.970 -0.436 1.00 0.00 N ATOM 976 CD2 HIS A 68 -4.044 -7.028 1.207 1.00 0.00 C ATOM 977 CE1 HIS A 68 -4.897 -8.907 0.466 1.00 0.00 C ATOM 978 NE2 HIS A 68 -4.239 -8.361 1.472 1.00 0.00 N ATOM 0 H HIS A 68 -3.573 -3.664 -2.039 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.381 -6.354 -2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.110 -4.733 -0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.735 -5.162 -0.791 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -5.623 -8.111 -1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.537 -6.316 1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.193 -9.943 0.393 1.00 0.00 H new ATOM 987 N PRO A 69 -6.372 -5.409 -3.410 1.00 0.00 N ATOM 988 CA PRO A 69 -7.504 -5.843 -4.228 1.00 0.00 C ATOM 989 C PRO A 69 -7.238 -5.689 -5.723 1.00 0.00 C ATOM 990 O PRO A 69 -6.207 -5.153 -6.129 1.00 0.00 O ATOM 991 CB PRO A 69 -8.611 -4.894 -3.784 1.00 0.00 C ATOM 992 CG PRO A 69 -7.902 -3.621 -3.465 1.00 0.00 C ATOM 993 CD PRO A 69 -6.519 -4.000 -2.990 1.00 0.00 C ATOM 0 HA PRO A 69 -7.734 -6.900 -4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.351 -4.750 -4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.142 -5.282 -2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.847 -2.979 -4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.436 -3.063 -2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.755 -3.367 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.425 -3.893 -1.909 1.00 0.00 H new ATOM 1001 N LYS A 70 -8.180 -6.156 -6.535 1.00 0.00 N ATOM 1002 CA LYS A 70 -8.056 -6.067 -7.987 1.00 0.00 C ATOM 1003 C LYS A 70 -9.430 -6.102 -8.650 1.00 0.00 C ATOM 1004 O LYS A 70 -10.456 -6.045 -7.971 1.00 0.00 O ATOM 1005 CB LYS A 70 -7.181 -7.204 -8.521 1.00 0.00 C ATOM 1006 CG LYS A 70 -7.794 -8.585 -8.343 1.00 0.00 C ATOM 1007 CD LYS A 70 -7.216 -9.582 -9.337 1.00 0.00 C ATOM 1008 CE LYS A 70 -6.884 -10.908 -8.670 1.00 0.00 C ATOM 1009 NZ LYS A 70 -5.489 -10.933 -8.148 1.00 0.00 N ATOM 0 H LYS A 70 -9.039 -6.601 -6.213 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.580 -5.117 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.989 -7.036 -9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.216 -7.177 -8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.614 -8.936 -7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.875 -8.524 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.930 -9.748 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.316 -9.166 -9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.581 -11.087 -7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.018 -11.718 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.302 -11.853 -7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.822 -10.787 -8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.368 -10.176 -7.445 1.00 0.00 H new ATOM 1023 N GLN A 71 -9.446 -6.194 -9.975 1.00 0.00 N ATOM 1024 CA GLN A 71 -10.701 -6.233 -10.720 1.00 0.00 C ATOM 1025 C GLN A 71 -10.806 -7.497 -11.573 1.00 0.00 C ATOM 1026 O GLN A 71 -11.633 -7.571 -12.481 1.00 0.00 O ATOM 1027 CB GLN A 71 -10.831 -4.996 -11.609 1.00 0.00 C ATOM 1028 CG GLN A 71 -9.783 -4.919 -12.708 1.00 0.00 C ATOM 1029 CD GLN A 71 -8.533 -4.183 -12.270 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -7.731 -4.703 -11.494 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -8.359 -2.963 -12.768 1.00 0.00 N ATOM 0 H GLN A 71 -8.608 -6.243 -10.555 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.515 -6.243 -9.995 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.822 -4.989 -12.063 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.759 -4.104 -10.987 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.515 -5.928 -13.021 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.209 -4.418 -13.577 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.049 -2.570 -13.408 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.535 -2.419 -12.510 1.00 0.00 H new