USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 513 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 20 HIS : no HE2:sc= -0.268 K(o=-1.9,f=-6.6!) USER MOD Set 1.2: A 55 HIS : no HD1:sc= -1.6 K(o=-1.9,f=-1) USER MOD Set 2.1: A 47 HIS : no HE2:sc= -7.99! C(o=-8!,f=-6.5!) USER MOD Set 2.2: A 69 HIS : no HD1:sc= 0 X(o=-8,f=-7.6) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -2.04! K(o=-4.6!,f=-0.73) USER MOD Set 3.2: A 21 GLN : amide:sc= -2.11! K(o=-4.6!,f=-0.73) USER MOD Set 3.3: A 27 CYS SG : rot -106:sc= 0.119 USER MOD Set 3.4: A 31 HIS : no HD1:sc= -0.588 K(o=-4.6,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 152:sc= -0.673 (180deg=-2.78!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= -0.72 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot -40:sc= -0.107 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 111:sc= -0.894 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= 0.0225 (180deg=0.00661) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.115 USER MOD Single : A 68 CYS SG : rot 180:sc= -1.54 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 2.134 12.872 -6.543 1.00 1.00 N ATOM 12 CA ASP A 2 3.063 11.849 -6.094 1.00 1.00 C ATOM 13 C ASP A 2 2.293 10.763 -5.340 1.00 1.00 C ATOM 14 O ASP A 2 2.566 9.575 -5.506 1.00 1.00 O ATOM 15 CB ASP A 2 4.108 12.435 -5.143 1.00 1.00 C ATOM 16 CG ASP A 2 4.385 13.928 -5.326 1.00 1.00 C ATOM 17 OD1 ASP A 2 5.335 14.322 -6.018 1.00 1.00 O ATOM 18 OD2 ASP A 2 3.565 14.714 -4.713 1.00 1.00 O ATOM 0 HA ASP A 2 3.563 11.438 -6.971 1.00 1.00 H new ATOM 0 HB2 ASP A 2 3.780 12.265 -4.118 1.00 1.00 H new ATOM 0 HB3 ASP A 2 5.042 11.889 -5.273 1.00 1.00 H new ATOM 24 N ASP A 3 1.347 11.209 -4.527 1.00 1.00 N ATOM 25 CA ASP A 3 0.536 10.290 -3.747 1.00 1.00 C ATOM 26 C ASP A 3 -0.226 9.359 -4.693 1.00 1.00 C ATOM 27 O ASP A 3 -0.048 9.423 -5.909 1.00 1.00 O ATOM 28 CB ASP A 3 -0.490 11.044 -2.899 1.00 1.00 C ATOM 29 CG ASP A 3 -1.024 10.271 -1.691 1.00 1.00 C ATOM 30 OD1 ASP A 3 -0.466 10.347 -0.586 1.00 1.00 O ATOM 31 OD2 ASP A 3 -2.073 9.557 -1.921 1.00 1.00 O ATOM 0 H ASP A 3 1.124 12.195 -4.391 1.00 1.00 H new ATOM 0 HA ASP A 3 1.201 9.727 -3.093 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -0.037 11.971 -2.547 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -1.331 11.321 -3.535 1.00 1.00 H new ATOM 37 N ILE A 4 -1.058 8.517 -4.100 1.00 1.00 N ATOM 38 CA ILE A 4 -1.847 7.574 -4.875 1.00 1.00 C ATOM 39 C ILE A 4 -3.091 7.179 -4.076 1.00 1.00 C ATOM 40 O ILE A 4 -2.994 6.836 -2.899 1.00 1.00 O ATOM 41 CB ILE A 4 -0.989 6.383 -5.306 1.00 1.00 C ATOM 42 CG1 ILE A 4 0.102 6.820 -6.286 1.00 1.00 C ATOM 43 CG2 ILE A 4 -1.857 5.260 -5.877 1.00 1.00 C ATOM 44 CD1 ILE A 4 0.677 5.617 -7.037 1.00 1.00 C ATOM 0 H ILE A 4 -1.204 8.467 -3.092 1.00 1.00 H new ATOM 0 HA ILE A 4 -2.194 8.037 -5.799 1.00 1.00 H new ATOM 0 HB ILE A 4 -0.488 5.985 -4.423 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -0.309 7.536 -6.998 1.00 1.00 H new ATOM 0 HG13 ILE A 4 0.899 7.331 -5.745 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -1.222 4.426 -6.176 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -2.564 4.925 -5.118 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -2.404 5.628 -6.745 1.00 1.00 H new ATOM 0 HD11 ILE A 4 1.450 5.955 -7.727 1.00 1.00 H new ATOM 0 HD12 ILE A 4 1.109 4.915 -6.324 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -0.118 5.123 -7.596 1.00 1.00 H new ATOM 56 N VAL A 5 -4.231 7.241 -4.748 1.00 1.00 N ATOM 57 CA VAL A 5 -5.492 6.894 -4.115 1.00 1.00 C ATOM 58 C VAL A 5 -6.107 5.694 -4.838 1.00 1.00 C ATOM 59 O VAL A 5 -6.121 5.645 -6.067 1.00 1.00 O ATOM 60 CB VAL A 5 -6.417 8.113 -4.088 1.00 1.00 C ATOM 61 CG1 VAL A 5 -7.580 7.897 -3.118 1.00 1.00 C ATOM 62 CG2 VAL A 5 -5.639 9.383 -3.738 1.00 1.00 C ATOM 0 H VAL A 5 -4.308 7.526 -5.724 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.331 6.602 -3.077 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.834 8.240 -5.087 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.222 8.778 -3.118 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.158 7.027 -3.430 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -7.190 7.732 -2.114 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.319 10.235 -3.725 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -5.181 9.270 -2.755 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -4.862 9.551 -4.483 1.00 1.00 H new ATOM 72 N PHE A 6 -6.601 4.755 -4.044 1.00 1.00 N ATOM 73 CA PHE A 6 -7.216 3.558 -4.593 1.00 1.00 C ATOM 74 C PHE A 6 -8.696 3.479 -4.213 1.00 1.00 C ATOM 75 O PHE A 6 -9.035 3.078 -3.101 1.00 1.00 O ATOM 76 CB PHE A 6 -6.481 2.361 -3.987 1.00 1.00 C ATOM 77 CG PHE A 6 -5.028 2.224 -4.447 1.00 1.00 C ATOM 78 CD1 PHE A 6 -4.742 1.606 -5.623 1.00 1.00 C ATOM 79 CD2 PHE A 6 -4.023 2.722 -3.678 1.00 1.00 C ATOM 80 CE1 PHE A 6 -3.394 1.480 -6.050 1.00 1.00 C ATOM 81 CE2 PHE A 6 -2.674 2.596 -4.105 1.00 1.00 C ATOM 82 CZ PHE A 6 -2.388 1.977 -5.282 1.00 1.00 C ATOM 0 H PHE A 6 -6.588 4.799 -3.025 1.00 1.00 H new ATOM 0 HA PHE A 6 -7.148 3.569 -5.681 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -6.501 2.448 -2.901 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -7.020 1.449 -4.244 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -5.541 1.211 -6.233 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -4.250 3.213 -2.743 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -3.167 0.989 -6.985 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -1.875 2.992 -3.495 1.00 1.00 H new ATOM 0 HZ PHE A 6 -1.362 1.880 -5.606 1.00 1.00 H new ATOM 92 N LYS A 7 -9.538 3.867 -5.159 1.00 1.00 N ATOM 93 CA LYS A 7 -10.974 3.845 -4.938 1.00 1.00 C ATOM 94 C LYS A 7 -11.349 2.570 -4.181 1.00 1.00 C ATOM 95 O LYS A 7 -10.929 1.476 -4.553 1.00 1.00 O ATOM 96 CB LYS A 7 -11.723 4.017 -6.261 1.00 1.00 C ATOM 97 CG LYS A 7 -11.764 5.488 -6.681 1.00 1.00 C ATOM 98 CD LYS A 7 -13.082 5.822 -7.381 1.00 1.00 C ATOM 99 CE LYS A 7 -13.952 6.729 -6.509 1.00 1.00 C ATOM 100 NZ LYS A 7 -14.543 7.816 -7.321 1.00 1.00 N ATOM 0 H LYS A 7 -9.253 4.199 -6.081 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.276 4.687 -4.316 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -11.237 3.427 -7.038 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -12.739 3.636 -6.160 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -11.643 6.124 -5.804 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.929 5.703 -7.348 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -12.878 6.313 -8.332 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -13.621 4.902 -7.606 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -14.744 6.144 -6.042 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -13.352 7.153 -5.704 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -15.131 8.423 -6.714 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -13.783 8.384 -7.746 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -15.131 7.406 -8.074 1.00 1.00 H new ATOM 113 N ALA A 8 -12.137 2.753 -3.131 1.00 1.00 N ATOM 114 CA ALA A 8 -12.573 1.631 -2.318 1.00 1.00 C ATOM 115 C ALA A 8 -14.072 1.762 -2.037 1.00 1.00 C ATOM 116 O ALA A 8 -14.604 2.871 -1.995 1.00 1.00 O ATOM 117 CB ALA A 8 -11.743 1.577 -1.034 1.00 1.00 C ATOM 0 H ALA A 8 -12.485 3.662 -2.825 1.00 1.00 H new ATOM 0 HA ALA A 8 -12.417 0.691 -2.847 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -12.070 0.735 -0.424 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -10.690 1.454 -1.286 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -11.877 2.503 -0.475 1.00 1.00 H new ATOM 123 N LYS A 9 -14.710 0.616 -1.854 1.00 1.00 N ATOM 124 CA LYS A 9 -16.136 0.589 -1.578 1.00 1.00 C ATOM 125 C LYS A 9 -16.363 0.730 -0.072 1.00 1.00 C ATOM 126 O LYS A 9 -17.463 0.479 0.420 1.00 1.00 O ATOM 127 CB LYS A 9 -16.775 -0.664 -2.182 1.00 1.00 C ATOM 128 CG LYS A 9 -16.266 -0.908 -3.604 1.00 1.00 C ATOM 129 CD LYS A 9 -17.357 -1.529 -4.478 1.00 1.00 C ATOM 130 CE LYS A 9 -17.866 -0.526 -5.515 1.00 1.00 C ATOM 131 NZ LYS A 9 -18.830 0.413 -4.899 1.00 1.00 N ATOM 0 H LYS A 9 -14.265 -0.301 -1.891 1.00 1.00 H new ATOM 0 HA LYS A 9 -16.632 1.434 -2.056 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -16.549 -1.529 -1.558 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -17.859 -0.554 -2.194 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -15.936 0.034 -4.042 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -15.399 -1.568 -3.575 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -16.965 -2.412 -4.983 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -18.185 -1.861 -3.851 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -17.027 0.029 -5.935 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -18.342 -1.057 -6.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -19.165 1.087 -5.617 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -19.639 -0.119 -4.519 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -18.364 0.932 -4.128 1.00 1.00 H new ATOM 144 N ASN A 10 -15.306 1.131 0.619 1.00 1.00 N ATOM 145 CA ASN A 10 -15.377 1.309 2.059 1.00 1.00 C ATOM 146 C ASN A 10 -14.432 2.438 2.476 1.00 1.00 C ATOM 147 O ASN A 10 -13.996 2.495 3.625 1.00 1.00 O ATOM 148 CB ASN A 10 -14.946 0.037 2.792 1.00 1.00 C ATOM 149 CG ASN A 10 -16.125 -0.594 3.535 1.00 1.00 C ATOM 150 OD1 ASN A 10 -17.224 -0.065 3.571 1.00 1.00 O ATOM 151 ND2 ASN A 10 -15.837 -1.751 4.123 1.00 1.00 N ATOM 0 H ASN A 10 -14.396 1.338 0.208 1.00 1.00 H new ATOM 0 HA ASN A 10 -16.409 1.544 2.320 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -14.537 -0.678 2.078 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -14.150 0.272 3.499 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -16.557 -2.252 4.644 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -14.896 -2.138 4.053 1.00 1.00 H new ATOM 158 N GLY A 11 -14.145 3.310 1.520 1.00 1.00 N ATOM 159 CA GLY A 11 -13.260 4.434 1.774 1.00 1.00 C ATOM 160 C GLY A 11 -11.962 4.302 0.975 1.00 1.00 C ATOM 161 O GLY A 11 -11.348 3.236 0.954 1.00 1.00 O ATOM 0 H GLY A 11 -14.510 3.261 0.569 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -13.762 5.364 1.508 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -13.032 4.488 2.838 1.00 1.00 H new ATOM 165 N ASP A 12 -11.583 5.399 0.337 1.00 1.00 N ATOM 166 CA ASP A 12 -10.370 5.419 -0.462 1.00 1.00 C ATOM 167 C ASP A 12 -9.176 5.055 0.423 1.00 1.00 C ATOM 168 O ASP A 12 -9.110 5.463 1.582 1.00 1.00 O ATOM 169 CB ASP A 12 -10.118 6.811 -1.046 1.00 1.00 C ATOM 170 CG ASP A 12 -10.343 6.929 -2.555 1.00 1.00 C ATOM 171 OD1 ASP A 12 -9.831 6.120 -3.343 1.00 1.00 O ATOM 172 OD2 ASP A 12 -11.091 7.915 -2.918 1.00 1.00 O ATOM 0 H ASP A 12 -12.095 6.281 0.357 1.00 1.00 H new ATOM 0 HA ASP A 12 -10.490 4.703 -1.275 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -10.769 7.524 -0.540 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -9.091 7.102 -0.823 1.00 1.00 H new ATOM 178 N VAL A 13 -8.262 4.291 -0.156 1.00 1.00 N ATOM 179 CA VAL A 13 -7.074 3.866 0.566 1.00 1.00 C ATOM 180 C VAL A 13 -5.866 4.659 0.062 1.00 1.00 C ATOM 181 O VAL A 13 -5.330 4.368 -1.006 1.00 1.00 O ATOM 182 CB VAL A 13 -6.894 2.353 0.433 1.00 1.00 C ATOM 183 CG1 VAL A 13 -5.449 1.945 0.729 1.00 1.00 C ATOM 184 CG2 VAL A 13 -7.872 1.603 1.340 1.00 1.00 C ATOM 0 H VAL A 13 -8.320 3.955 -1.117 1.00 1.00 H new ATOM 0 HA VAL A 13 -7.179 4.074 1.631 1.00 1.00 H new ATOM 0 HB VAL A 13 -7.115 2.078 -0.598 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -5.348 0.864 0.628 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -4.780 2.440 0.025 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -5.189 2.240 1.746 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -7.723 0.529 1.226 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -7.696 1.886 2.378 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -8.895 1.859 1.063 1.00 1.00 H new ATOM 194 N LYS A 14 -5.473 5.645 0.855 1.00 1.00 N ATOM 195 CA LYS A 14 -4.339 6.482 0.503 1.00 1.00 C ATOM 196 C LYS A 14 -3.043 5.705 0.746 1.00 1.00 C ATOM 197 O LYS A 14 -2.942 4.945 1.708 1.00 1.00 O ATOM 198 CB LYS A 14 -4.405 7.816 1.248 1.00 1.00 C ATOM 199 CG LYS A 14 -4.386 8.992 0.269 1.00 1.00 C ATOM 200 CD LYS A 14 -3.479 10.114 0.779 1.00 1.00 C ATOM 201 CE LYS A 14 -4.291 11.367 1.112 1.00 1.00 C ATOM 202 NZ LYS A 14 -3.568 12.584 0.678 1.00 1.00 N ATOM 0 H LYS A 14 -5.920 5.883 1.740 1.00 1.00 H new ATOM 0 HA LYS A 14 -4.366 6.734 -0.557 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -5.312 7.855 1.852 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -3.562 7.896 1.934 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -4.037 8.652 -0.706 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -5.398 9.372 0.131 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.942 9.778 1.666 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -2.729 10.352 0.024 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -5.263 11.319 0.620 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -4.479 11.411 2.185 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -4.133 13.425 0.912 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -2.651 12.636 1.167 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -3.411 12.547 -0.349 1.00 1.00 H new ATOM 215 N PHE A 15 -2.084 5.924 -0.141 1.00 1.00 N ATOM 216 CA PHE A 15 -0.799 5.254 -0.035 1.00 1.00 C ATOM 217 C PHE A 15 0.337 6.171 -0.493 1.00 1.00 C ATOM 218 O PHE A 15 0.511 6.452 -1.677 1.00 1.00 O ATOM 219 CB PHE A 15 -0.854 4.032 -0.954 1.00 1.00 C ATOM 220 CG PHE A 15 0.419 3.184 -0.938 1.00 1.00 C ATOM 221 CD1 PHE A 15 1.063 2.945 0.235 1.00 1.00 C ATOM 222 CD2 PHE A 15 0.908 2.669 -2.099 1.00 1.00 C ATOM 223 CE1 PHE A 15 2.245 2.158 0.250 1.00 1.00 C ATOM 224 CE2 PHE A 15 2.089 1.882 -2.085 1.00 1.00 C ATOM 225 CZ PHE A 15 2.733 1.643 -0.911 1.00 1.00 C ATOM 0 H PHE A 15 -2.171 6.556 -0.937 1.00 1.00 H new ATOM 0 HA PHE A 15 -0.610 4.975 1.002 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -1.698 3.408 -0.661 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -1.043 4.366 -1.974 1.00 1.00 H new ATOM 0 HD1 PHE A 15 0.675 3.354 1.156 1.00 1.00 H new ATOM 0 HD2 PHE A 15 0.397 2.859 -3.031 1.00 1.00 H new ATOM 0 HE1 PHE A 15 2.756 1.968 1.182 1.00 1.00 H new ATOM 0 HE2 PHE A 15 2.476 1.473 -3.006 1.00 1.00 H new ATOM 0 HZ PHE A 15 3.632 1.044 -0.900 1.00 1.00 H new ATOM 235 N PRO A 16 1.116 6.637 0.486 1.00 1.00 N ATOM 236 CA PRO A 16 2.247 7.516 0.280 1.00 1.00 C ATOM 237 C PRO A 16 3.295 6.810 -0.567 1.00 1.00 C ATOM 238 O PRO A 16 4.124 6.091 -0.010 1.00 1.00 O ATOM 239 CB PRO A 16 2.779 7.804 1.682 1.00 1.00 C ATOM 240 CG PRO A 16 1.700 7.421 2.633 1.00 1.00 C ATOM 241 CD PRO A 16 0.939 6.326 1.888 1.00 1.00 C ATOM 0 HA PRO A 16 1.981 8.434 -0.244 1.00 1.00 H new ATOM 0 HB2 PRO A 16 3.687 7.234 1.876 1.00 1.00 H new ATOM 0 HB3 PRO A 16 3.035 8.858 1.790 1.00 1.00 H new ATOM 0 HG2 PRO A 16 2.107 7.056 3.576 1.00 1.00 H new ATOM 0 HG3 PRO A 16 1.055 8.267 2.870 1.00 1.00 H new ATOM 0 HD2 PRO A 16 1.334 5.338 2.126 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.116 6.322 2.162 1.00 1.00 H new ATOM 249 N HIS A 17 3.242 7.019 -1.874 1.00 1.00 N ATOM 250 CA HIS A 17 4.196 6.391 -2.772 1.00 1.00 C ATOM 251 C HIS A 17 5.581 7.005 -2.561 1.00 1.00 C ATOM 252 O HIS A 17 6.541 6.294 -2.268 1.00 1.00 O ATOM 253 CB HIS A 17 3.720 6.485 -4.223 1.00 1.00 C ATOM 254 CG HIS A 17 4.448 5.561 -5.170 1.00 1.00 C ATOM 255 ND1 HIS A 17 5.431 6.000 -6.039 1.00 1.00 N ATOM 256 CD2 HIS A 17 4.326 4.218 -5.373 1.00 1.00 C ATOM 257 CE1 HIS A 17 5.873 4.960 -6.730 1.00 1.00 C ATOM 258 NE2 HIS A 17 5.187 3.856 -6.317 1.00 1.00 N ATOM 0 H HIS A 17 2.553 7.615 -2.333 1.00 1.00 H new ATOM 0 HA HIS A 17 4.270 5.328 -2.544 1.00 1.00 H new ATOM 0 HB2 HIS A 17 2.654 6.260 -4.260 1.00 1.00 H new ATOM 0 HB3 HIS A 17 3.841 7.512 -4.569 1.00 1.00 H new ATOM 0 HD1 HIS A 17 5.760 6.961 -6.132 1.00 1.00 H new ATOM 0 HD2 HIS A 17 3.645 3.560 -4.854 1.00 1.00 H new ATOM 0 HE1 HIS A 17 6.642 4.982 -7.488 1.00 1.00 H new ATOM 266 N LYS A 18 5.641 8.319 -2.720 1.00 1.00 N ATOM 267 CA LYS A 18 6.892 9.037 -2.550 1.00 1.00 C ATOM 268 C LYS A 18 7.429 8.792 -1.139 1.00 1.00 C ATOM 269 O LYS A 18 8.614 8.514 -0.961 1.00 1.00 O ATOM 270 CB LYS A 18 6.711 10.518 -2.891 1.00 1.00 C ATOM 271 CG LYS A 18 8.059 11.240 -2.932 1.00 1.00 C ATOM 272 CD LYS A 18 8.540 11.422 -4.373 1.00 1.00 C ATOM 273 CE LYS A 18 9.923 12.075 -4.411 1.00 1.00 C ATOM 274 NZ LYS A 18 9.808 13.542 -4.258 1.00 1.00 N ATOM 0 H LYS A 18 4.843 8.905 -2.965 1.00 1.00 H new ATOM 0 HA LYS A 18 7.643 8.663 -3.246 1.00 1.00 H new ATOM 0 HB2 LYS A 18 6.213 10.614 -3.856 1.00 1.00 H new ATOM 0 HB3 LYS A 18 6.065 10.989 -2.150 1.00 1.00 H new ATOM 0 HG2 LYS A 18 7.969 12.213 -2.449 1.00 1.00 H new ATOM 0 HG3 LYS A 18 8.798 10.671 -2.367 1.00 1.00 H new ATOM 0 HD2 LYS A 18 8.577 10.454 -4.873 1.00 1.00 H new ATOM 0 HD3 LYS A 18 7.828 12.038 -4.923 1.00 1.00 H new ATOM 0 HE2 LYS A 18 10.546 11.668 -3.614 1.00 1.00 H new ATOM 0 HE3 LYS A 18 10.417 11.839 -5.354 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 10.756 13.969 -4.286 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 9.231 13.928 -5.033 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 9.356 13.762 -3.347 1.00 1.00 H new ATOM 287 N ALA A 19 6.531 8.904 -0.171 1.00 1.00 N ATOM 288 CA ALA A 19 6.899 8.698 1.219 1.00 1.00 C ATOM 289 C ALA A 19 7.490 7.296 1.384 1.00 1.00 C ATOM 290 O ALA A 19 8.562 7.135 1.965 1.00 1.00 O ATOM 291 CB ALA A 19 5.676 8.924 2.111 1.00 1.00 C ATOM 0 H ALA A 19 5.549 9.135 -0.322 1.00 1.00 H new ATOM 0 HA ALA A 19 7.661 9.415 1.524 1.00 1.00 H new ATOM 0 HB1 ALA A 19 5.953 8.769 3.154 1.00 1.00 H new ATOM 0 HB2 ALA A 19 5.313 9.943 1.979 1.00 1.00 H new ATOM 0 HB3 ALA A 19 4.890 8.221 1.836 1.00 1.00 H new ATOM 297 N HIS A 20 6.765 6.319 0.861 1.00 1.00 N ATOM 298 CA HIS A 20 7.203 4.936 0.943 1.00 1.00 C ATOM 299 C HIS A 20 8.482 4.754 0.123 1.00 1.00 C ATOM 300 O HIS A 20 9.203 3.773 0.300 1.00 1.00 O ATOM 301 CB HIS A 20 6.084 3.985 0.514 1.00 1.00 C ATOM 302 CG HIS A 20 5.124 3.626 1.624 1.00 1.00 C ATOM 303 ND1 HIS A 20 4.108 4.469 2.038 1.00 1.00 N ATOM 304 CD2 HIS A 20 5.037 2.507 2.399 1.00 1.00 C ATOM 305 CE1 HIS A 20 3.446 3.875 3.019 1.00 1.00 C ATOM 306 NE2 HIS A 20 4.023 2.660 3.242 1.00 1.00 N ATOM 0 H HIS A 20 5.877 6.457 0.379 1.00 1.00 H new ATOM 0 HA HIS A 20 7.437 4.686 1.978 1.00 1.00 H new ATOM 0 HB2 HIS A 20 5.525 4.443 -0.302 1.00 1.00 H new ATOM 0 HB3 HIS A 20 6.529 3.070 0.122 1.00 1.00 H new ATOM 0 HD1 HIS A 20 3.904 5.391 1.653 1.00 1.00 H new ATOM 0 HD2 HIS A 20 5.683 1.644 2.337 1.00 1.00 H new ATOM 0 HE1 HIS A 20 2.598 4.282 3.549 1.00 1.00 H new ATOM 314 N GLN A 21 8.724 5.714 -0.757 1.00 1.00 N ATOM 315 CA GLN A 21 9.903 5.672 -1.605 1.00 1.00 C ATOM 316 C GLN A 21 11.126 6.181 -0.839 1.00 1.00 C ATOM 317 O GLN A 21 12.258 6.022 -1.293 1.00 1.00 O ATOM 318 CB GLN A 21 9.686 6.478 -2.887 1.00 1.00 C ATOM 319 CG GLN A 21 8.644 5.808 -3.786 1.00 1.00 C ATOM 320 CD GLN A 21 9.314 5.090 -4.959 1.00 1.00 C ATOM 321 OE1 GLN A 21 10.305 4.394 -4.811 1.00 1.00 O ATOM 322 NE2 GLN A 21 8.718 5.297 -6.131 1.00 1.00 N ATOM 0 H GLN A 21 8.124 6.526 -0.901 1.00 1.00 H new ATOM 0 HA GLN A 21 10.083 4.636 -1.892 1.00 1.00 H new ATOM 0 HB2 GLN A 21 9.360 7.487 -2.636 1.00 1.00 H new ATOM 0 HB3 GLN A 21 10.629 6.573 -3.425 1.00 1.00 H new ATOM 0 HG2 GLN A 21 8.060 5.095 -3.204 1.00 1.00 H new ATOM 0 HG3 GLN A 21 7.948 6.557 -4.163 1.00 1.00 H new ATOM 0 HE21 GLN A 21 7.891 5.892 -6.185 1.00 1.00 H new ATOM 0 HE22 GLN A 21 9.088 4.861 -6.976 1.00 1.00 H new ATOM 331 N LYS A 22 10.857 6.782 0.311 1.00 1.00 N ATOM 332 CA LYS A 22 11.921 7.314 1.145 1.00 1.00 C ATOM 333 C LYS A 22 12.108 6.411 2.365 1.00 1.00 C ATOM 334 O LYS A 22 13.173 6.404 2.979 1.00 1.00 O ATOM 335 CB LYS A 22 11.643 8.777 1.498 1.00 1.00 C ATOM 336 CG LYS A 22 12.903 9.630 1.332 1.00 1.00 C ATOM 337 CD LYS A 22 13.083 10.579 2.519 1.00 1.00 C ATOM 338 CE LYS A 22 13.917 9.925 3.622 1.00 1.00 C ATOM 339 NZ LYS A 22 13.987 10.806 4.810 1.00 1.00 N ATOM 0 H LYS A 22 9.917 6.912 0.685 1.00 1.00 H new ATOM 0 HA LYS A 22 12.866 7.315 0.602 1.00 1.00 H new ATOM 0 HB2 LYS A 22 10.850 9.165 0.858 1.00 1.00 H new ATOM 0 HB3 LYS A 22 11.286 8.845 2.526 1.00 1.00 H new ATOM 0 HG2 LYS A 22 13.776 8.983 1.244 1.00 1.00 H new ATOM 0 HG3 LYS A 22 12.838 10.205 0.408 1.00 1.00 H new ATOM 0 HD2 LYS A 22 13.569 11.496 2.186 1.00 1.00 H new ATOM 0 HD3 LYS A 22 12.107 10.861 2.915 1.00 1.00 H new ATOM 0 HE2 LYS A 22 13.478 8.966 3.898 1.00 1.00 H new ATOM 0 HE3 LYS A 22 14.922 9.721 3.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 14.557 10.347 5.549 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 14.426 11.711 4.546 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 13.027 10.980 5.170 1.00 1.00 H new ATOM 352 N ALA A 23 11.055 5.671 2.680 1.00 1.00 N ATOM 353 CA ALA A 23 11.089 4.766 3.816 1.00 1.00 C ATOM 354 C ALA A 23 11.604 3.400 3.359 1.00 1.00 C ATOM 355 O ALA A 23 12.507 2.835 3.974 1.00 1.00 O ATOM 356 CB ALA A 23 9.697 4.683 4.445 1.00 1.00 C ATOM 0 H ALA A 23 10.173 5.680 2.168 1.00 1.00 H new ATOM 0 HA ALA A 23 11.771 5.137 4.581 1.00 1.00 H new ATOM 0 HB1 ALA A 23 9.723 4.004 5.297 1.00 1.00 H new ATOM 0 HB2 ALA A 23 9.389 5.674 4.780 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.986 4.312 3.707 1.00 1.00 H new ATOM 362 N VAL A 24 11.008 2.908 2.283 1.00 1.00 N ATOM 363 CA VAL A 24 11.396 1.619 1.736 1.00 1.00 C ATOM 364 C VAL A 24 12.380 1.833 0.584 1.00 1.00 C ATOM 365 O VAL A 24 12.147 2.612 -0.337 1.00 1.00 O ATOM 366 CB VAL A 24 10.152 0.831 1.320 1.00 1.00 C ATOM 367 CG1 VAL A 24 10.535 -0.524 0.721 1.00 1.00 C ATOM 368 CG2 VAL A 24 9.193 0.657 2.500 1.00 1.00 C ATOM 0 H VAL A 24 10.259 3.379 1.775 1.00 1.00 H new ATOM 0 HA VAL A 24 11.906 1.022 2.492 1.00 1.00 H new ATOM 0 HB VAL A 24 9.636 1.404 0.550 1.00 1.00 H new ATOM 0 HG11 VAL A 24 9.632 -1.063 0.434 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.160 -0.369 -0.158 1.00 1.00 H new ATOM 0 HG13 VAL A 24 11.086 -1.106 1.460 1.00 1.00 H new ATOM 0 HG21 VAL A 24 8.317 0.094 2.177 1.00 1.00 H new ATOM 0 HG22 VAL A 24 9.697 0.117 3.302 1.00 1.00 H new ATOM 0 HG23 VAL A 24 8.881 1.636 2.863 1.00 1.00 H new ATOM 378 N PRO A 25 13.502 1.113 0.659 1.00 1.00 N ATOM 379 CA PRO A 25 14.566 1.157 -0.320 1.00 1.00 C ATOM 380 C PRO A 25 14.191 0.300 -1.521 1.00 1.00 C ATOM 381 O PRO A 25 13.485 0.789 -2.401 1.00 1.00 O ATOM 382 CB PRO A 25 15.785 0.586 0.401 1.00 1.00 C ATOM 383 CG PRO A 25 15.156 -0.421 1.349 1.00 1.00 C ATOM 384 CD PRO A 25 13.808 0.187 1.728 1.00 1.00 C ATOM 0 HA PRO A 25 14.757 2.163 -0.694 1.00 1.00 H new ATOM 0 HB2 PRO A 25 16.482 0.113 -0.291 1.00 1.00 H new ATOM 0 HB3 PRO A 25 16.340 1.357 0.936 1.00 1.00 H new ATOM 0 HG2 PRO A 25 15.031 -1.391 0.869 1.00 1.00 H new ATOM 0 HG3 PRO A 25 15.780 -0.579 2.229 1.00 1.00 H new ATOM 0 HD2 PRO A 25 13.040 -0.581 1.817 1.00 1.00 H new ATOM 0 HD3 PRO A 25 13.861 0.698 2.690 1.00 1.00 H new ATOM 392 N ASP A 26 14.662 -0.938 -1.537 1.00 1.00 N ATOM 393 CA ASP A 26 14.364 -1.838 -2.638 1.00 1.00 C ATOM 394 C ASP A 26 12.876 -1.743 -2.980 1.00 1.00 C ATOM 395 O ASP A 26 12.023 -2.011 -2.135 1.00 1.00 O ATOM 396 CB ASP A 26 14.672 -3.289 -2.263 1.00 1.00 C ATOM 397 CG ASP A 26 14.222 -4.331 -3.289 1.00 1.00 C ATOM 398 OD1 ASP A 26 13.452 -5.250 -2.970 1.00 1.00 O ATOM 399 OD2 ASP A 26 14.700 -4.171 -4.476 1.00 1.00 O ATOM 0 H ASP A 26 15.248 -1.339 -0.805 1.00 1.00 H new ATOM 0 HA ASP A 26 14.982 -1.547 -3.488 1.00 1.00 H new ATOM 0 HB2 ASP A 26 15.747 -3.389 -2.113 1.00 1.00 H new ATOM 0 HB3 ASP A 26 14.195 -3.511 -1.309 1.00 1.00 H new ATOM 405 N CYS A 27 12.609 -1.361 -4.221 1.00 1.00 N ATOM 406 CA CYS A 27 11.239 -1.228 -4.684 1.00 1.00 C ATOM 407 C CYS A 27 10.740 -2.610 -5.111 1.00 1.00 C ATOM 408 O CYS A 27 9.535 -2.860 -5.129 1.00 1.00 O ATOM 409 CB CYS A 27 11.122 -0.205 -5.816 1.00 1.00 C ATOM 410 SG CYS A 27 11.592 1.503 -5.358 1.00 1.00 S ATOM 0 H CYS A 27 13.319 -1.140 -4.919 1.00 1.00 H new ATOM 0 HA CYS A 27 10.614 -0.851 -3.875 1.00 1.00 H new ATOM 0 HB2 CYS A 27 11.749 -0.529 -6.646 1.00 1.00 H new ATOM 0 HB3 CYS A 27 10.094 -0.199 -6.177 1.00 1.00 H new ATOM 0 HG CYS A 27 10.523 2.236 -5.259 1.00 1.00 H new ATOM 415 N LYS A 28 11.690 -3.471 -5.442 1.00 1.00 N ATOM 416 CA LYS A 28 11.362 -4.821 -5.867 1.00 1.00 C ATOM 417 C LYS A 28 10.362 -5.432 -4.883 1.00 1.00 C ATOM 418 O LYS A 28 9.615 -6.343 -5.237 1.00 1.00 O ATOM 419 CB LYS A 28 12.635 -5.652 -6.044 1.00 1.00 C ATOM 420 CG LYS A 28 13.497 -5.097 -7.180 1.00 1.00 C ATOM 421 CD LYS A 28 13.346 -5.943 -8.446 1.00 1.00 C ATOM 422 CE LYS A 28 14.712 -6.370 -8.987 1.00 1.00 C ATOM 423 NZ LYS A 28 14.709 -6.362 -10.467 1.00 1.00 N ATOM 0 H LYS A 28 12.688 -3.260 -5.425 1.00 1.00 H new ATOM 0 HA LYS A 28 10.880 -4.805 -6.845 1.00 1.00 H new ATOM 0 HB2 LYS A 28 13.206 -5.652 -5.116 1.00 1.00 H new ATOM 0 HB3 LYS A 28 12.371 -6.688 -6.256 1.00 1.00 H new ATOM 0 HG2 LYS A 28 13.209 -4.067 -7.390 1.00 1.00 H new ATOM 0 HG3 LYS A 28 14.543 -5.079 -6.873 1.00 1.00 H new ATOM 0 HD2 LYS A 28 12.745 -6.826 -8.228 1.00 1.00 H new ATOM 0 HD3 LYS A 28 12.812 -5.374 -9.206 1.00 1.00 H new ATOM 0 HE2 LYS A 28 15.484 -5.696 -8.615 1.00 1.00 H new ATOM 0 HE3 LYS A 28 14.958 -7.368 -8.623 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 15.643 -6.654 -10.818 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 13.986 -7.023 -10.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 14.495 -5.403 -10.809 1.00 1.00 H new ATOM 436 N LYS A 29 10.380 -4.906 -3.667 1.00 1.00 N ATOM 437 CA LYS A 29 9.484 -5.387 -2.630 1.00 1.00 C ATOM 438 C LYS A 29 8.035 -5.193 -3.082 1.00 1.00 C ATOM 439 O LYS A 29 7.163 -5.991 -2.745 1.00 1.00 O ATOM 440 CB LYS A 29 9.805 -4.720 -1.292 1.00 1.00 C ATOM 441 CG LYS A 29 11.097 -5.282 -0.694 1.00 1.00 C ATOM 442 CD LYS A 29 10.966 -6.782 -0.419 1.00 1.00 C ATOM 443 CE LYS A 29 11.439 -7.123 0.995 1.00 1.00 C ATOM 444 NZ LYS A 29 11.708 -8.573 1.115 1.00 1.00 N ATOM 0 H LYS A 29 11.001 -4.151 -3.377 1.00 1.00 H new ATOM 0 HA LYS A 29 9.628 -6.456 -2.469 1.00 1.00 H new ATOM 0 HB2 LYS A 29 9.904 -3.644 -1.433 1.00 1.00 H new ATOM 0 HB3 LYS A 29 8.980 -4.876 -0.597 1.00 1.00 H new ATOM 0 HG2 LYS A 29 11.926 -5.105 -1.379 1.00 1.00 H new ATOM 0 HG3 LYS A 29 11.331 -4.758 0.232 1.00 1.00 H new ATOM 0 HD2 LYS A 29 9.927 -7.089 -0.543 1.00 1.00 H new ATOM 0 HD3 LYS A 29 11.553 -7.342 -1.148 1.00 1.00 H new ATOM 0 HE2 LYS A 29 12.342 -6.559 1.229 1.00 1.00 H new ATOM 0 HE3 LYS A 29 10.681 -6.826 1.720 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 12.028 -8.788 2.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 10.838 -9.105 0.912 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 12.447 -8.846 0.436 1.00 1.00 H new ATOM 457 N CYS A 30 7.824 -4.126 -3.839 1.00 1.00 N ATOM 458 CA CYS A 30 6.496 -3.816 -4.341 1.00 1.00 C ATOM 459 C CYS A 30 6.499 -4.010 -5.859 1.00 1.00 C ATOM 460 O CYS A 30 5.493 -4.416 -6.438 1.00 1.00 O ATOM 461 CB CYS A 30 6.058 -2.404 -3.947 1.00 1.00 C ATOM 462 SG CYS A 30 6.011 -2.249 -2.125 1.00 1.00 S ATOM 0 H CYS A 30 8.550 -3.466 -4.117 1.00 1.00 H new ATOM 0 HA CYS A 30 5.768 -4.490 -3.891 1.00 1.00 H new ATOM 0 HB2 CYS A 30 6.748 -1.671 -4.365 1.00 1.00 H new ATOM 0 HB3 CYS A 30 5.074 -2.190 -4.364 1.00 1.00 H new ATOM 0 HG CYS A 30 5.640 -1.046 -1.801 1.00 1.00 H new ATOM 467 N HIS A 31 7.641 -3.710 -6.460 1.00 1.00 N ATOM 468 CA HIS A 31 7.788 -3.847 -7.899 1.00 1.00 C ATOM 469 C HIS A 31 8.791 -4.960 -8.209 1.00 1.00 C ATOM 470 O HIS A 31 9.837 -4.710 -8.806 1.00 1.00 O ATOM 471 CB HIS A 31 8.172 -2.509 -8.535 1.00 1.00 C ATOM 472 CG HIS A 31 7.144 -1.420 -8.341 1.00 1.00 C ATOM 473 ND1 HIS A 31 5.867 -1.492 -8.868 1.00 1.00 N ATOM 474 CD2 HIS A 31 7.218 -0.233 -7.673 1.00 1.00 C ATOM 475 CE1 HIS A 31 5.210 -0.393 -8.527 1.00 1.00 C ATOM 476 NE2 HIS A 31 6.050 0.386 -7.787 1.00 1.00 N ATOM 0 H HIS A 31 8.473 -3.373 -5.976 1.00 1.00 H new ATOM 0 HA HIS A 31 6.833 -4.133 -8.340 1.00 1.00 H new ATOM 0 HB2 HIS A 31 9.121 -2.178 -8.114 1.00 1.00 H new ATOM 0 HB3 HIS A 31 8.331 -2.658 -9.603 1.00 1.00 H new ATOM 0 HD2 HIS A 31 8.081 0.140 -7.141 1.00 1.00 H new ATOM 0 HE1 HIS A 31 4.189 -0.156 -8.789 1.00 1.00 H new ATOM 0 HE2 HIS A 31 5.818 1.295 -7.387 1.00 1.00 H new ATOM 484 N GLU A 32 8.436 -6.166 -7.789 1.00 1.00 N ATOM 485 CA GLU A 32 9.292 -7.318 -8.015 1.00 1.00 C ATOM 486 C GLU A 32 9.520 -7.525 -9.514 1.00 1.00 C ATOM 487 O GLU A 32 10.629 -7.846 -9.938 1.00 1.00 O ATOM 488 CB GLU A 32 8.701 -8.574 -7.372 1.00 1.00 C ATOM 489 CG GLU A 32 7.273 -8.821 -7.862 1.00 1.00 C ATOM 490 CD GLU A 32 7.235 -9.944 -8.900 1.00 1.00 C ATOM 491 OE1 GLU A 32 8.293 -10.438 -9.317 1.00 1.00 O ATOM 492 OE2 GLU A 32 6.054 -10.304 -9.272 1.00 1.00 O ATOM 0 H GLU A 32 7.568 -6.370 -7.294 1.00 1.00 H new ATOM 0 HA GLU A 32 10.256 -7.127 -7.544 1.00 1.00 H new ATOM 0 HB2 GLU A 32 9.325 -9.436 -7.609 1.00 1.00 H new ATOM 0 HB3 GLU A 32 8.704 -8.467 -6.287 1.00 1.00 H new ATOM 0 HG2 GLU A 32 6.635 -9.080 -7.017 1.00 1.00 H new ATOM 0 HG3 GLU A 32 6.871 -7.906 -8.296 1.00 1.00 H new ATOM 500 N LYS A 33 8.453 -7.332 -10.274 1.00 1.00 N ATOM 501 CA LYS A 33 8.522 -7.493 -11.717 1.00 1.00 C ATOM 502 C LYS A 33 8.837 -6.142 -12.362 1.00 1.00 C ATOM 503 O LYS A 33 8.356 -5.845 -13.454 1.00 1.00 O ATOM 504 CB LYS A 33 7.243 -8.144 -12.245 1.00 1.00 C ATOM 505 CG LYS A 33 6.103 -7.126 -12.328 1.00 1.00 C ATOM 506 CD LYS A 33 5.511 -7.080 -13.738 1.00 1.00 C ATOM 507 CE LYS A 33 4.030 -7.466 -13.723 1.00 1.00 C ATOM 508 NZ LYS A 33 3.733 -8.423 -14.812 1.00 1.00 N ATOM 0 H LYS A 33 7.535 -7.065 -9.918 1.00 1.00 H new ATOM 0 HA LYS A 33 9.331 -8.171 -11.987 1.00 1.00 H new ATOM 0 HB2 LYS A 33 7.428 -8.570 -13.231 1.00 1.00 H new ATOM 0 HB3 LYS A 33 6.953 -8.967 -11.592 1.00 1.00 H new ATOM 0 HG2 LYS A 33 5.325 -7.387 -11.611 1.00 1.00 H new ATOM 0 HG3 LYS A 33 6.472 -6.138 -12.052 1.00 1.00 H new ATOM 0 HD2 LYS A 33 5.625 -6.078 -14.152 1.00 1.00 H new ATOM 0 HD3 LYS A 33 6.061 -7.759 -14.390 1.00 1.00 H new ATOM 0 HE2 LYS A 33 3.773 -7.910 -12.761 1.00 1.00 H new ATOM 0 HE3 LYS A 33 3.414 -6.574 -13.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 2.724 -8.675 -14.788 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 3.959 -7.987 -15.729 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 4.307 -9.281 -14.686 1.00 1.00 H new ATOM 521 N GLY A 34 9.643 -5.360 -11.659 1.00 1.00 N ATOM 522 CA GLY A 34 10.027 -4.047 -12.149 1.00 1.00 C ATOM 523 C GLY A 34 8.920 -3.022 -11.898 1.00 1.00 C ATOM 524 O GLY A 34 7.765 -3.357 -11.643 1.00 1.00 O ATOM 0 H GLY A 34 10.041 -5.610 -10.754 1.00 1.00 H new ATOM 0 HA2 GLY A 34 10.944 -3.725 -11.656 1.00 1.00 H new ATOM 0 HA3 GLY A 34 10.241 -4.102 -13.216 1.00 1.00 H new ATOM 528 N PRO A 35 9.304 -1.746 -11.977 1.00 1.00 N ATOM 529 CA PRO A 35 8.423 -0.615 -11.777 1.00 1.00 C ATOM 530 C PRO A 35 7.208 -0.748 -12.684 1.00 1.00 C ATOM 531 O PRO A 35 7.271 -1.500 -13.655 1.00 1.00 O ATOM 532 CB PRO A 35 9.260 0.605 -12.158 1.00 1.00 C ATOM 533 CG PRO A 35 10.491 0.025 -12.987 1.00 1.00 C ATOM 534 CD PRO A 35 10.653 -1.316 -12.275 1.00 1.00 C ATOM 0 HA PRO A 35 8.051 -0.542 -10.755 1.00 1.00 H new ATOM 0 HB2 PRO A 35 8.680 1.309 -12.755 1.00 1.00 H new ATOM 0 HB3 PRO A 35 9.600 1.142 -11.272 1.00 1.00 H new ATOM 0 HG2 PRO A 35 10.268 -0.087 -14.048 1.00 1.00 H new ATOM 0 HG3 PRO A 35 11.380 0.651 -12.912 1.00 1.00 H new ATOM 0 HD2 PRO A 35 11.167 -2.039 -12.908 1.00 1.00 H new ATOM 0 HD3 PRO A 35 11.244 -1.211 -11.365 1.00 1.00 H new ATOM 542 N GLY A 36 6.143 -0.030 -12.358 1.00 1.00 N ATOM 543 CA GLY A 36 4.930 -0.086 -13.157 1.00 1.00 C ATOM 544 C GLY A 36 3.727 -0.482 -12.300 1.00 1.00 C ATOM 545 O GLY A 36 3.784 -0.412 -11.073 1.00 1.00 O ATOM 0 H GLY A 36 6.095 0.593 -11.552 1.00 1.00 H new ATOM 0 HA2 GLY A 36 4.749 0.885 -13.618 1.00 1.00 H new ATOM 0 HA3 GLY A 36 5.056 -0.805 -13.967 1.00 1.00 H new ATOM 549 N LYS A 37 2.665 -0.891 -12.979 1.00 1.00 N ATOM 550 CA LYS A 37 1.450 -1.299 -12.295 1.00 1.00 C ATOM 551 C LYS A 37 1.613 -2.733 -11.787 1.00 1.00 C ATOM 552 O LYS A 37 2.544 -3.433 -12.182 1.00 1.00 O ATOM 553 CB LYS A 37 0.233 -1.103 -13.202 1.00 1.00 C ATOM 554 CG LYS A 37 0.002 -2.332 -14.083 1.00 1.00 C ATOM 555 CD LYS A 37 1.115 -2.479 -15.123 1.00 1.00 C ATOM 556 CE LYS A 37 0.650 -3.329 -16.307 1.00 1.00 C ATOM 557 NZ LYS A 37 1.261 -2.844 -17.565 1.00 1.00 N ATOM 0 H LYS A 37 2.621 -0.948 -13.996 1.00 1.00 H new ATOM 0 HA LYS A 37 1.274 -0.669 -11.423 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -0.652 -0.916 -12.594 1.00 1.00 H new ATOM 0 HB3 LYS A 37 0.380 -0.224 -13.829 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.040 -3.226 -13.462 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -0.961 -2.247 -14.586 1.00 1.00 H new ATOM 0 HD2 LYS A 37 1.421 -1.494 -15.476 1.00 1.00 H new ATOM 0 HD3 LYS A 37 1.990 -2.938 -14.662 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.921 -4.372 -16.142 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -0.437 -3.291 -16.385 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 0.935 -3.432 -18.359 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 0.981 -1.856 -17.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 2.297 -2.903 -17.493 1.00 1.00 H new ATOM 570 N ILE A 38 0.694 -3.126 -10.917 1.00 1.00 N ATOM 571 CA ILE A 38 0.724 -4.464 -10.351 1.00 1.00 C ATOM 572 C ILE A 38 -0.563 -5.201 -10.725 1.00 1.00 C ATOM 573 O ILE A 38 -1.573 -5.085 -10.032 1.00 1.00 O ATOM 574 CB ILE A 38 0.981 -4.401 -8.844 1.00 1.00 C ATOM 575 CG1 ILE A 38 2.239 -3.586 -8.535 1.00 1.00 C ATOM 576 CG2 ILE A 38 1.045 -5.806 -8.240 1.00 1.00 C ATOM 577 CD1 ILE A 38 2.204 -3.045 -7.105 1.00 1.00 C ATOM 0 H ILE A 38 -0.076 -2.542 -10.590 1.00 1.00 H new ATOM 0 HA ILE A 38 1.552 -5.037 -10.769 1.00 1.00 H new ATOM 0 HB ILE A 38 0.142 -3.887 -8.376 1.00 1.00 H new ATOM 0 HG12 ILE A 38 3.123 -4.209 -8.670 1.00 1.00 H new ATOM 0 HG13 ILE A 38 2.322 -2.758 -9.239 1.00 1.00 H new ATOM 0 HG21 ILE A 38 1.229 -5.733 -7.168 1.00 1.00 H new ATOM 0 HG22 ILE A 38 0.099 -6.319 -8.412 1.00 1.00 H new ATOM 0 HG23 ILE A 38 1.853 -6.367 -8.709 1.00 1.00 H new ATOM 0 HD11 ILE A 38 3.109 -2.470 -6.911 1.00 1.00 H new ATOM 0 HD12 ILE A 38 1.332 -2.403 -6.980 1.00 1.00 H new ATOM 0 HD13 ILE A 38 2.145 -3.877 -6.403 1.00 1.00 H new ATOM 589 N GLU A 39 -0.486 -5.943 -11.820 1.00 1.00 N ATOM 590 CA GLU A 39 -1.633 -6.699 -12.294 1.00 1.00 C ATOM 591 C GLU A 39 -1.911 -7.881 -11.364 1.00 1.00 C ATOM 592 O GLU A 39 -1.213 -8.893 -11.414 1.00 1.00 O ATOM 593 CB GLU A 39 -1.420 -7.172 -13.734 1.00 1.00 C ATOM 594 CG GLU A 39 -2.635 -6.843 -14.604 1.00 1.00 C ATOM 595 CD GLU A 39 -2.456 -7.386 -16.023 1.00 1.00 C ATOM 596 OE1 GLU A 39 -1.674 -8.325 -16.233 1.00 1.00 O ATOM 597 OE2 GLU A 39 -3.165 -6.798 -16.926 1.00 1.00 O ATOM 0 H GLU A 39 0.353 -6.037 -12.393 1.00 1.00 H new ATOM 0 HA GLU A 39 -2.504 -6.044 -12.286 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -0.531 -6.697 -14.149 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -1.241 -8.247 -13.745 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -3.533 -7.271 -14.158 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -2.780 -5.763 -14.639 1.00 1.00 H new ATOM 605 N GLY A 40 -2.932 -7.714 -10.536 1.00 1.00 N ATOM 606 CA GLY A 40 -3.311 -8.755 -9.596 1.00 1.00 C ATOM 607 C GLY A 40 -3.523 -8.178 -8.195 1.00 1.00 C ATOM 608 O GLY A 40 -4.198 -8.785 -7.365 1.00 1.00 O ATOM 0 H GLY A 40 -3.508 -6.873 -10.497 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -4.226 -9.241 -9.935 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -2.536 -9.521 -9.564 1.00 1.00 H new ATOM 612 N PHE A 41 -2.935 -7.011 -7.975 1.00 1.00 N ATOM 613 CA PHE A 41 -3.052 -6.345 -6.689 1.00 1.00 C ATOM 614 C PHE A 41 -4.506 -6.323 -6.213 1.00 1.00 C ATOM 615 O PHE A 41 -5.427 -6.488 -7.011 1.00 1.00 O ATOM 616 CB PHE A 41 -2.571 -4.906 -6.886 1.00 1.00 C ATOM 617 CG PHE A 41 -2.755 -4.015 -5.656 1.00 1.00 C ATOM 618 CD1 PHE A 41 -3.977 -3.486 -5.376 1.00 1.00 C ATOM 619 CD2 PHE A 41 -1.698 -3.751 -4.842 1.00 1.00 C ATOM 620 CE1 PHE A 41 -4.148 -2.659 -4.234 1.00 1.00 C ATOM 621 CE2 PHE A 41 -1.869 -2.924 -3.701 1.00 1.00 C ATOM 622 CZ PHE A 41 -3.091 -2.395 -3.421 1.00 1.00 C ATOM 0 H PHE A 41 -2.376 -6.510 -8.666 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.461 -6.873 -5.941 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -1.515 -4.920 -7.157 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -3.109 -4.465 -7.725 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.817 -3.695 -6.022 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -0.728 -4.171 -5.064 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -5.118 -2.240 -4.011 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -1.029 -2.715 -3.055 1.00 1.00 H new ATOM 0 HZ PHE A 41 -3.221 -1.766 -2.553 1.00 1.00 H new ATOM 632 N GLY A 42 -4.666 -6.119 -4.913 1.00 1.00 N ATOM 633 CA GLY A 42 -5.992 -6.074 -4.321 1.00 1.00 C ATOM 634 C GLY A 42 -5.954 -6.522 -2.858 1.00 1.00 C ATOM 635 O GLY A 42 -4.919 -6.972 -2.369 1.00 1.00 O ATOM 0 H GLY A 42 -3.900 -5.983 -4.254 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.389 -5.061 -4.385 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.668 -6.717 -4.885 1.00 1.00 H new ATOM 639 N LYS A 43 -7.096 -6.383 -2.201 1.00 1.00 N ATOM 640 CA LYS A 43 -7.207 -6.768 -0.804 1.00 1.00 C ATOM 641 C LYS A 43 -6.268 -7.943 -0.527 1.00 1.00 C ATOM 642 O LYS A 43 -5.597 -7.977 0.503 1.00 1.00 O ATOM 643 CB LYS A 43 -8.666 -7.048 -0.440 1.00 1.00 C ATOM 644 CG LYS A 43 -9.462 -7.494 -1.668 1.00 1.00 C ATOM 645 CD LYS A 43 -10.474 -8.581 -1.300 1.00 1.00 C ATOM 646 CE LYS A 43 -11.907 -8.094 -1.524 1.00 1.00 C ATOM 647 NZ LYS A 43 -12.803 -9.236 -1.814 1.00 1.00 N ATOM 0 H LYS A 43 -7.952 -6.009 -2.610 1.00 1.00 H new ATOM 0 HA LYS A 43 -6.893 -5.949 -0.157 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -8.711 -7.821 0.327 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -9.117 -6.151 -0.016 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -9.982 -6.639 -2.099 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -8.780 -7.870 -2.431 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -10.291 -9.472 -1.901 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -10.342 -8.867 -0.257 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -12.259 -7.563 -0.640 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -11.931 -7.386 -2.352 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.772 -8.888 -1.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -12.475 -9.726 -2.671 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -12.793 -9.898 -1.012 1.00 1.00 H new ATOM 660 N GLU A 44 -6.250 -8.879 -1.465 1.00 1.00 N ATOM 661 CA GLU A 44 -5.404 -10.053 -1.335 1.00 1.00 C ATOM 662 C GLU A 44 -4.068 -9.676 -0.691 1.00 1.00 C ATOM 663 O GLU A 44 -3.788 -10.068 0.440 1.00 1.00 O ATOM 664 CB GLU A 44 -5.188 -10.726 -2.692 1.00 1.00 C ATOM 665 CG GLU A 44 -6.193 -11.860 -2.908 1.00 1.00 C ATOM 666 CD GLU A 44 -5.540 -13.223 -2.671 1.00 1.00 C ATOM 667 OE1 GLU A 44 -5.249 -13.580 -1.519 1.00 1.00 O ATOM 668 OE2 GLU A 44 -5.336 -13.922 -3.736 1.00 1.00 O ATOM 0 H GLU A 44 -6.808 -8.848 -2.318 1.00 1.00 H new ATOM 0 HA GLU A 44 -5.908 -10.770 -0.687 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -5.290 -9.988 -3.488 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -4.173 -11.119 -2.750 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -7.039 -11.735 -2.232 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -6.587 -11.813 -3.923 1.00 1.00 H new ATOM 676 N MET A 45 -3.280 -8.919 -1.440 1.00 1.00 N ATOM 677 CA MET A 45 -1.980 -8.485 -0.956 1.00 1.00 C ATOM 678 C MET A 45 -2.122 -7.320 0.026 1.00 1.00 C ATOM 679 O MET A 45 -1.508 -7.324 1.092 1.00 1.00 O ATOM 680 CB MET A 45 -1.113 -8.052 -2.140 1.00 1.00 C ATOM 681 CG MET A 45 0.343 -7.858 -1.712 1.00 1.00 C ATOM 682 SD MET A 45 1.435 -8.632 -2.892 1.00 1.00 S ATOM 683 CE MET A 45 0.615 -8.183 -4.413 1.00 1.00 C ATOM 0 H MET A 45 -3.516 -8.595 -2.378 1.00 1.00 H new ATOM 0 HA MET A 45 -1.510 -9.319 -0.436 1.00 1.00 H new ATOM 0 HB2 MET A 45 -1.167 -8.803 -2.928 1.00 1.00 H new ATOM 0 HB3 MET A 45 -1.500 -7.123 -2.558 1.00 1.00 H new ATOM 0 HG2 MET A 45 0.570 -6.795 -1.637 1.00 1.00 H new ATOM 0 HG3 MET A 45 0.500 -8.288 -0.723 1.00 1.00 H new ATOM 0 HE1 MET A 45 1.347 -8.127 -5.218 1.00 1.00 H new ATOM 0 HE2 MET A 45 -0.136 -8.934 -4.657 1.00 1.00 H new ATOM 0 HE3 MET A 45 0.132 -7.213 -4.294 1.00 1.00 H new ATOM 693 N ALA A 46 -2.934 -6.351 -0.368 1.00 1.00 N ATOM 694 CA ALA A 46 -3.164 -5.182 0.463 1.00 1.00 C ATOM 695 C ALA A 46 -3.472 -5.632 1.893 1.00 1.00 C ATOM 696 O ALA A 46 -3.273 -4.875 2.842 1.00 1.00 O ATOM 697 CB ALA A 46 -4.292 -4.341 -0.138 1.00 1.00 C ATOM 0 H ALA A 46 -3.441 -6.351 -1.253 1.00 1.00 H new ATOM 0 HA ALA A 46 -2.273 -4.555 0.498 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -4.464 -3.464 0.486 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -4.013 -4.023 -1.142 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -5.204 -4.936 -0.186 1.00 1.00 H new ATOM 703 N HIS A 47 -3.951 -6.862 2.002 1.00 1.00 N ATOM 704 CA HIS A 47 -4.288 -7.422 3.300 1.00 1.00 C ATOM 705 C HIS A 47 -3.174 -8.366 3.757 1.00 1.00 C ATOM 706 O HIS A 47 -2.632 -8.210 4.850 1.00 1.00 O ATOM 707 CB HIS A 47 -5.659 -8.098 3.261 1.00 1.00 C ATOM 708 CG HIS A 47 -6.799 -7.158 2.949 1.00 1.00 C ATOM 709 ND1 HIS A 47 -8.015 -7.593 2.452 1.00 1.00 N ATOM 710 CD2 HIS A 47 -6.895 -5.803 3.070 1.00 1.00 C ATOM 711 CE1 HIS A 47 -8.800 -6.539 2.284 1.00 1.00 C ATOM 712 NE2 HIS A 47 -8.104 -5.430 2.667 1.00 1.00 N ATOM 0 H HIS A 47 -4.114 -7.487 1.213 1.00 1.00 H new ATOM 0 HA HIS A 47 -4.363 -6.622 4.036 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -5.641 -8.891 2.513 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -5.846 -8.573 4.224 1.00 1.00 H new ATOM 0 HD1 HIS A 47 -8.265 -8.561 2.249 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -6.119 -5.145 3.432 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -9.813 -6.555 1.910 1.00 1.00 H new ATOM 720 N GLY A 48 -2.865 -9.325 2.896 1.00 1.00 N ATOM 721 CA GLY A 48 -1.825 -10.294 3.197 1.00 1.00 C ATOM 722 C GLY A 48 -0.486 -9.600 3.452 1.00 1.00 C ATOM 723 O GLY A 48 -0.440 -8.542 4.078 1.00 1.00 O ATOM 0 H GLY A 48 -3.317 -9.451 1.990 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -2.109 -10.877 4.073 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -1.724 -10.994 2.367 1.00 1.00 H new ATOM 727 N LYS A 49 0.572 -10.224 2.954 1.00 1.00 N ATOM 728 CA LYS A 49 1.909 -9.680 3.121 1.00 1.00 C ATOM 729 C LYS A 49 2.168 -8.633 2.034 1.00 1.00 C ATOM 730 O LYS A 49 3.199 -8.671 1.365 1.00 1.00 O ATOM 731 CB LYS A 49 2.945 -10.804 3.150 1.00 1.00 C ATOM 732 CG LYS A 49 3.025 -11.513 1.796 1.00 1.00 C ATOM 733 CD LYS A 49 3.224 -13.019 1.977 1.00 1.00 C ATOM 734 CE LYS A 49 4.284 -13.552 1.011 1.00 1.00 C ATOM 735 NZ LYS A 49 4.757 -14.885 1.444 1.00 1.00 N ATOM 0 H LYS A 49 0.530 -11.101 2.435 1.00 1.00 H new ATOM 0 HA LYS A 49 1.996 -9.172 4.082 1.00 1.00 H new ATOM 0 HB2 LYS A 49 3.922 -10.396 3.409 1.00 1.00 H new ATOM 0 HB3 LYS A 49 2.684 -11.523 3.926 1.00 1.00 H new ATOM 0 HG2 LYS A 49 2.112 -11.329 1.230 1.00 1.00 H new ATOM 0 HG3 LYS A 49 3.849 -11.101 1.214 1.00 1.00 H new ATOM 0 HD2 LYS A 49 3.524 -13.229 3.004 1.00 1.00 H new ATOM 0 HD3 LYS A 49 2.280 -13.537 1.808 1.00 1.00 H new ATOM 0 HE2 LYS A 49 3.868 -13.616 0.005 1.00 1.00 H new ATOM 0 HE3 LYS A 49 5.124 -12.859 0.965 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 5.476 -15.232 0.777 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 5.172 -14.814 2.395 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 3.956 -15.548 1.465 1.00 1.00 H new ATOM 748 N GLY A 50 1.214 -7.725 1.894 1.00 1.00 N ATOM 749 CA GLY A 50 1.325 -6.670 0.901 1.00 1.00 C ATOM 750 C GLY A 50 1.609 -5.320 1.563 1.00 1.00 C ATOM 751 O GLY A 50 2.661 -4.723 1.338 1.00 1.00 O ATOM 0 H GLY A 50 0.360 -7.698 2.452 1.00 1.00 H new ATOM 0 HA2 GLY A 50 2.123 -6.910 0.199 1.00 1.00 H new ATOM 0 HA3 GLY A 50 0.402 -6.609 0.325 1.00 1.00 H new ATOM 755 N CYS A 51 0.653 -4.880 2.368 1.00 1.00 N ATOM 756 CA CYS A 51 0.787 -3.612 3.065 1.00 1.00 C ATOM 757 C CYS A 51 0.781 -3.888 4.570 1.00 1.00 C ATOM 758 O CYS A 51 1.702 -3.491 5.281 1.00 1.00 O ATOM 759 CB CYS A 51 -0.310 -2.625 2.661 1.00 1.00 C ATOM 760 SG CYS A 51 -0.583 -2.477 0.857 1.00 1.00 S ATOM 0 H CYS A 51 -0.217 -5.379 2.553 1.00 1.00 H new ATOM 0 HA CYS A 51 1.729 -3.139 2.787 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -1.245 -2.930 3.132 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -0.059 -1.642 3.058 1.00 1.00 H new ATOM 0 HG CYS A 51 -1.533 -1.619 0.631 1.00 1.00 H new ATOM 765 N LYS A 52 -0.269 -4.566 5.010 1.00 1.00 N ATOM 766 CA LYS A 52 -0.408 -4.900 6.417 1.00 1.00 C ATOM 767 C LYS A 52 0.764 -5.785 6.845 1.00 1.00 C ATOM 768 O LYS A 52 1.091 -5.860 8.028 1.00 1.00 O ATOM 769 CB LYS A 52 -1.779 -5.522 6.688 1.00 1.00 C ATOM 770 CG LYS A 52 -2.873 -4.804 5.895 1.00 1.00 C ATOM 771 CD LYS A 52 -4.188 -4.775 6.677 1.00 1.00 C ATOM 772 CE LYS A 52 -4.720 -6.191 6.905 1.00 1.00 C ATOM 773 NZ LYS A 52 -4.824 -6.478 8.354 1.00 1.00 N ATOM 0 H LYS A 52 -1.031 -4.893 4.417 1.00 1.00 H new ATOM 0 HA LYS A 52 -0.367 -3.998 7.028 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -1.763 -6.578 6.418 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -2.002 -5.468 7.753 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -2.556 -3.785 5.672 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -3.025 -5.307 4.940 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -4.034 -4.281 7.637 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -4.927 -4.188 6.132 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -5.698 -6.299 6.436 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -4.058 -6.916 6.431 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -5.187 -7.443 8.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -3.885 -6.395 8.793 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -5.474 -5.798 8.797 1.00 1.00 H new ATOM 786 N GLY A 53 1.365 -6.434 5.858 1.00 1.00 N ATOM 787 CA GLY A 53 2.494 -7.311 6.117 1.00 1.00 C ATOM 788 C GLY A 53 3.710 -6.514 6.594 1.00 1.00 C ATOM 789 O GLY A 53 4.263 -6.794 7.656 1.00 1.00 O ATOM 0 H GLY A 53 1.091 -6.370 4.878 1.00 1.00 H new ATOM 0 HA2 GLY A 53 2.220 -8.049 6.871 1.00 1.00 H new ATOM 0 HA3 GLY A 53 2.748 -7.860 5.210 1.00 1.00 H new ATOM 793 N CYS A 54 4.091 -5.537 5.784 1.00 1.00 N ATOM 794 CA CYS A 54 5.231 -4.697 6.109 1.00 1.00 C ATOM 795 C CYS A 54 4.745 -3.546 6.992 1.00 1.00 C ATOM 796 O CYS A 54 5.316 -2.457 6.969 1.00 1.00 O ATOM 797 CB CYS A 54 5.938 -4.191 4.850 1.00 1.00 C ATOM 798 SG CYS A 54 7.535 -3.416 5.297 1.00 1.00 S ATOM 0 H CYS A 54 3.630 -5.308 4.903 1.00 1.00 H new ATOM 0 HA CYS A 54 5.973 -5.282 6.653 1.00 1.00 H new ATOM 0 HB2 CYS A 54 6.106 -5.018 4.160 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.306 -3.469 4.333 1.00 1.00 H new ATOM 0 HG CYS A 54 7.389 -2.716 6.383 1.00 1.00 H new ATOM 803 N HIS A 55 3.694 -3.827 7.749 1.00 1.00 N ATOM 804 CA HIS A 55 3.124 -2.829 8.638 1.00 1.00 C ATOM 805 C HIS A 55 3.125 -3.360 10.073 1.00 1.00 C ATOM 806 O HIS A 55 3.852 -2.854 10.926 1.00 1.00 O ATOM 807 CB HIS A 55 1.732 -2.409 8.161 1.00 1.00 C ATOM 808 CG HIS A 55 1.745 -1.336 7.099 1.00 1.00 C ATOM 809 ND1 HIS A 55 0.590 -0.753 6.609 1.00 1.00 N ATOM 810 CD2 HIS A 55 2.784 -0.747 6.440 1.00 1.00 C ATOM 811 CE1 HIS A 55 0.929 0.145 5.695 1.00 1.00 C ATOM 812 NE2 HIS A 55 2.289 0.147 5.592 1.00 1.00 N ATOM 0 H HIS A 55 3.223 -4.731 7.765 1.00 1.00 H new ATOM 0 HA HIS A 55 3.737 -1.928 8.621 1.00 1.00 H new ATOM 0 HB2 HIS A 55 1.213 -3.285 7.772 1.00 1.00 H new ATOM 0 HB3 HIS A 55 1.158 -2.052 9.016 1.00 1.00 H new ATOM 0 HD2 HIS A 55 3.831 -0.970 6.583 1.00 1.00 H new ATOM 0 HE1 HIS A 55 0.248 0.766 5.131 1.00 1.00 H new ATOM 0 HE2 HIS A 55 2.836 0.738 4.966 1.00 1.00 H new ATOM 820 N GLU A 56 2.300 -4.373 10.295 1.00 1.00 N ATOM 821 CA GLU A 56 2.196 -4.978 11.612 1.00 1.00 C ATOM 822 C GLU A 56 3.581 -5.381 12.122 1.00 1.00 C ATOM 823 O GLU A 56 3.925 -5.115 13.273 1.00 1.00 O ATOM 824 CB GLU A 56 1.249 -6.179 11.590 1.00 1.00 C ATOM 825 CG GLU A 56 -0.125 -5.804 12.150 1.00 1.00 C ATOM 826 CD GLU A 56 -0.997 -7.047 12.340 1.00 1.00 C ATOM 827 OE1 GLU A 56 -0.607 -7.974 13.066 1.00 1.00 O ATOM 828 OE2 GLU A 56 -2.119 -7.028 11.703 1.00 1.00 O ATOM 0 H GLU A 56 1.698 -4.790 9.585 1.00 1.00 H new ATOM 0 HA GLU A 56 1.779 -4.240 12.297 1.00 1.00 H new ATOM 0 HB2 GLU A 56 1.142 -6.544 10.568 1.00 1.00 H new ATOM 0 HB3 GLU A 56 1.675 -6.993 12.176 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -0.005 -5.290 13.104 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -0.620 -5.108 11.473 1.00 1.00 H new ATOM 836 N GLU A 57 4.339 -6.017 11.241 1.00 1.00 N ATOM 837 CA GLU A 57 5.679 -6.460 11.587 1.00 1.00 C ATOM 838 C GLU A 57 6.487 -5.299 12.171 1.00 1.00 C ATOM 839 O GLU A 57 7.392 -5.511 12.977 1.00 1.00 O ATOM 840 CB GLU A 57 6.387 -7.066 10.374 1.00 1.00 C ATOM 841 CG GLU A 57 6.147 -8.575 10.297 1.00 1.00 C ATOM 842 CD GLU A 57 7.471 -9.336 10.193 1.00 1.00 C ATOM 843 OE1 GLU A 57 8.387 -8.893 9.485 1.00 1.00 O ATOM 844 OE2 GLU A 57 7.529 -10.424 10.883 1.00 1.00 O ATOM 0 H GLU A 57 4.051 -6.236 10.288 1.00 1.00 H new ATOM 0 HA GLU A 57 5.599 -7.239 12.345 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.026 -6.590 9.462 1.00 1.00 H new ATOM 0 HB3 GLU A 57 7.457 -6.867 10.436 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.602 -8.906 11.181 1.00 1.00 H new ATOM 0 HG3 GLU A 57 5.523 -8.804 9.433 1.00 1.00 H new ATOM 852 N MET A 58 6.131 -4.097 11.741 1.00 1.00 N ATOM 853 CA MET A 58 6.812 -2.903 12.211 1.00 1.00 C ATOM 854 C MET A 58 6.007 -2.209 13.311 1.00 1.00 C ATOM 855 O MET A 58 6.519 -1.327 13.998 1.00 1.00 O ATOM 856 CB MET A 58 7.015 -1.937 11.041 1.00 1.00 C ATOM 857 CG MET A 58 7.405 -2.692 9.769 1.00 1.00 C ATOM 858 SD MET A 58 8.142 -1.568 8.594 1.00 1.00 S ATOM 859 CE MET A 58 9.870 -1.825 8.960 1.00 1.00 C ATOM 0 H MET A 58 5.380 -3.925 11.073 1.00 1.00 H new ATOM 0 HA MET A 58 7.777 -3.197 12.624 1.00 1.00 H new ATOM 0 HB2 MET A 58 6.099 -1.373 10.867 1.00 1.00 H new ATOM 0 HB3 MET A 58 7.791 -1.214 11.292 1.00 1.00 H new ATOM 0 HG2 MET A 58 8.107 -3.490 10.011 1.00 1.00 H new ATOM 0 HG3 MET A 58 6.525 -3.163 9.331 1.00 1.00 H new ATOM 0 HE1 MET A 58 10.477 -1.194 8.311 1.00 1.00 H new ATOM 0 HE2 MET A 58 10.064 -1.567 10.001 1.00 1.00 H new ATOM 0 HE3 MET A 58 10.126 -2.871 8.792 1.00 1.00 H new ATOM 869 N LYS A 59 4.759 -2.635 13.445 1.00 1.00 N ATOM 870 CA LYS A 59 3.878 -2.066 14.450 1.00 1.00 C ATOM 871 C LYS A 59 3.734 -0.562 14.205 1.00 1.00 C ATOM 872 O LYS A 59 3.936 0.241 15.114 1.00 1.00 O ATOM 873 CB LYS A 59 4.372 -2.415 15.855 1.00 1.00 C ATOM 874 CG LYS A 59 4.374 -3.929 16.075 1.00 1.00 C ATOM 875 CD LYS A 59 2.947 -4.467 16.200 1.00 1.00 C ATOM 876 CE LYS A 59 2.923 -5.780 16.986 1.00 1.00 C ATOM 877 NZ LYS A 59 2.939 -6.936 16.063 1.00 1.00 N ATOM 0 H LYS A 59 4.338 -3.368 12.874 1.00 1.00 H new ATOM 0 HA LYS A 59 2.881 -2.499 14.371 1.00 1.00 H new ATOM 0 HB2 LYS A 59 5.378 -2.022 15.999 1.00 1.00 H new ATOM 0 HB3 LYS A 59 3.734 -1.937 16.598 1.00 1.00 H new ATOM 0 HG2 LYS A 59 4.880 -4.420 15.244 1.00 1.00 H new ATOM 0 HG3 LYS A 59 4.937 -4.168 16.977 1.00 1.00 H new ATOM 0 HD2 LYS A 59 2.319 -3.729 16.699 1.00 1.00 H new ATOM 0 HD3 LYS A 59 2.526 -4.626 15.207 1.00 1.00 H new ATOM 0 HE2 LYS A 59 3.784 -5.827 17.653 1.00 1.00 H new ATOM 0 HE3 LYS A 59 2.032 -5.820 17.613 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 2.922 -7.819 16.612 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 2.104 -6.898 15.444 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 3.802 -6.905 15.483 1.00 1.00 H new ATOM 890 N LYS A 60 3.387 -0.227 12.971 1.00 1.00 N ATOM 891 CA LYS A 60 3.214 1.166 12.594 1.00 1.00 C ATOM 892 C LYS A 60 2.541 1.239 11.222 1.00 1.00 C ATOM 893 O LYS A 60 2.979 0.586 10.276 1.00 1.00 O ATOM 894 CB LYS A 60 4.550 1.909 12.664 1.00 1.00 C ATOM 895 CG LYS A 60 4.635 2.766 13.929 1.00 1.00 C ATOM 896 CD LYS A 60 4.331 4.233 13.619 1.00 1.00 C ATOM 897 CE LYS A 60 5.620 5.020 13.376 1.00 1.00 C ATOM 898 NZ LYS A 60 5.445 6.436 13.771 1.00 1.00 N ATOM 0 H LYS A 60 3.221 -0.896 12.219 1.00 1.00 H new ATOM 0 HA LYS A 60 2.556 1.673 13.299 1.00 1.00 H new ATOM 0 HB2 LYS A 60 5.370 1.191 12.651 1.00 1.00 H new ATOM 0 HB3 LYS A 60 4.665 2.541 11.784 1.00 1.00 H new ATOM 0 HG2 LYS A 60 3.930 2.394 14.673 1.00 1.00 H new ATOM 0 HG3 LYS A 60 5.631 2.681 14.364 1.00 1.00 H new ATOM 0 HD2 LYS A 60 3.690 4.297 12.740 1.00 1.00 H new ATOM 0 HD3 LYS A 60 3.780 4.677 14.448 1.00 1.00 H new ATOM 0 HE2 LYS A 60 6.437 4.576 13.945 1.00 1.00 H new ATOM 0 HE3 LYS A 60 5.896 4.961 12.323 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 6.329 6.956 13.600 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 4.679 6.861 13.210 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 5.204 6.487 14.781 1.00 1.00 H new ATOM 911 N GLY A 61 1.488 2.039 11.157 1.00 1.00 N ATOM 912 CA GLY A 61 0.750 2.206 9.917 1.00 1.00 C ATOM 913 C GLY A 61 -0.709 1.775 10.084 1.00 1.00 C ATOM 914 O GLY A 61 -1.125 1.269 11.124 1.00 1.00 O ATOM 0 H GLY A 61 1.128 2.579 11.944 1.00 1.00 H new ATOM 0 HA2 GLY A 61 0.791 3.249 9.603 1.00 1.00 H new ATOM 0 HA3 GLY A 61 1.219 1.617 9.129 1.00 1.00 H new ATOM 918 N PRO A 62 -1.486 1.990 9.020 1.00 1.00 N ATOM 919 CA PRO A 62 -2.894 1.659 8.958 1.00 1.00 C ATOM 920 C PRO A 62 -3.064 0.147 9.000 1.00 1.00 C ATOM 921 O PRO A 62 -2.956 -0.492 7.954 1.00 1.00 O ATOM 922 CB PRO A 62 -3.371 2.227 7.623 1.00 1.00 C ATOM 923 CG PRO A 62 -2.113 2.243 6.760 1.00 1.00 C ATOM 924 CD PRO A 62 -1.030 2.583 7.782 1.00 1.00 C ATOM 0 HA PRO A 62 -3.464 2.067 9.793 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -4.151 1.607 7.181 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -3.788 3.227 7.741 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -1.934 1.280 6.282 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -2.173 2.987 5.966 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -0.063 2.178 7.483 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -0.906 3.661 7.883 1.00 1.00 H new ATOM 932 N THR A 63 -3.322 -0.389 10.184 1.00 1.00 N ATOM 933 CA THR A 63 -3.500 -1.824 10.333 1.00 1.00 C ATOM 934 C THR A 63 -4.978 -2.157 10.549 1.00 1.00 C ATOM 935 O THR A 63 -5.372 -3.320 10.480 1.00 1.00 O ATOM 936 CB THR A 63 -2.597 -2.296 11.473 1.00 1.00 C ATOM 937 OG1 THR A 63 -2.705 -1.266 12.452 1.00 1.00 O ATOM 938 CG2 THR A 63 -1.116 -2.291 11.089 1.00 1.00 C ATOM 0 H THR A 63 -3.412 0.144 11.049 1.00 1.00 H new ATOM 0 HA THR A 63 -3.208 -2.356 9.428 1.00 1.00 H new ATOM 0 HB THR A 63 -2.890 -3.302 11.774 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.191 -1.606 13.232 1.00 1.00 H new ATOM 0 HG21 THR A 63 -0.520 -2.635 11.934 1.00 1.00 H new ATOM 0 HG22 THR A 63 -0.958 -2.956 10.240 1.00 1.00 H new ATOM 0 HG23 THR A 63 -0.814 -1.279 10.819 1.00 1.00 H new ATOM 946 N LYS A 64 -5.755 -1.116 10.806 1.00 1.00 N ATOM 947 CA LYS A 64 -7.181 -1.284 11.033 1.00 1.00 C ATOM 948 C LYS A 64 -7.940 -0.945 9.748 1.00 1.00 C ATOM 949 O LYS A 64 -7.388 -0.324 8.842 1.00 1.00 O ATOM 950 CB LYS A 64 -7.630 -0.467 12.246 1.00 1.00 C ATOM 951 CG LYS A 64 -6.669 -0.657 13.421 1.00 1.00 C ATOM 952 CD LYS A 64 -5.445 0.251 13.281 1.00 1.00 C ATOM 953 CE LYS A 64 -4.857 0.593 14.652 1.00 1.00 C ATOM 954 NZ LYS A 64 -5.172 1.993 15.016 1.00 1.00 N ATOM 0 H LYS A 64 -5.425 -0.153 10.862 1.00 1.00 H new ATOM 0 HA LYS A 64 -7.409 -2.322 11.275 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -7.680 0.589 11.980 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -8.635 -0.769 12.541 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -7.184 -0.437 14.356 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -6.350 -1.698 13.470 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -4.689 -0.243 12.670 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -5.725 1.168 12.762 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -5.259 -0.084 15.406 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -3.777 0.449 14.637 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -4.592 2.279 15.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -4.967 2.616 14.209 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -6.179 2.069 15.265 1.00 1.00 H new ATOM 967 N CYS A 65 -9.195 -1.369 9.712 1.00 1.00 N ATOM 968 CA CYS A 65 -10.036 -1.119 8.554 1.00 1.00 C ATOM 969 C CYS A 65 -10.535 0.325 8.625 1.00 1.00 C ATOM 970 O CYS A 65 -11.191 0.806 7.703 1.00 1.00 O ATOM 971 CB CYS A 65 -11.191 -2.118 8.468 1.00 1.00 C ATOM 972 SG CYS A 65 -10.907 -3.699 9.346 1.00 1.00 S ATOM 0 H CYS A 65 -9.649 -1.884 10.466 1.00 1.00 H new ATOM 0 HA CYS A 65 -9.454 -1.257 7.643 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -12.088 -1.650 8.873 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -11.390 -2.333 7.418 1.00 1.00 H new ATOM 0 HG CYS A 65 -11.948 -4.465 9.208 1.00 1.00 H new ATOM 977 N GLY A 66 -10.205 0.978 9.730 1.00 1.00 N ATOM 978 CA GLY A 66 -10.611 2.358 9.934 1.00 1.00 C ATOM 979 C GLY A 66 -9.457 3.318 9.640 1.00 1.00 C ATOM 980 O GLY A 66 -9.591 4.528 9.817 1.00 1.00 O ATOM 0 H GLY A 66 -9.661 0.576 10.494 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -11.457 2.591 9.287 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -10.949 2.493 10.961 1.00 1.00 H new ATOM 984 N GLU A 67 -8.349 2.743 9.196 1.00 1.00 N ATOM 985 CA GLU A 67 -7.172 3.533 8.876 1.00 1.00 C ATOM 986 C GLU A 67 -6.958 3.576 7.361 1.00 1.00 C ATOM 987 O GLU A 67 -6.663 4.631 6.802 1.00 1.00 O ATOM 988 CB GLU A 67 -5.934 2.987 9.589 1.00 1.00 C ATOM 989 CG GLU A 67 -5.013 4.123 10.036 1.00 1.00 C ATOM 990 CD GLU A 67 -4.857 4.137 11.558 1.00 1.00 C ATOM 991 OE1 GLU A 67 -5.295 5.091 12.217 1.00 1.00 O ATOM 992 OE2 GLU A 67 -4.256 3.109 12.054 1.00 1.00 O ATOM 0 H GLU A 67 -8.241 1.739 9.050 1.00 1.00 H new ATOM 0 HA GLU A 67 -7.335 4.551 9.230 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -6.238 2.399 10.455 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -5.392 2.316 8.922 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -4.035 4.009 9.568 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -5.418 5.078 9.700 1.00 1.00 H new ATOM 1000 N CYS A 68 -7.115 2.416 6.740 1.00 1.00 N ATOM 1001 CA CYS A 68 -6.942 2.308 5.302 1.00 1.00 C ATOM 1002 C CYS A 68 -8.275 2.646 4.631 1.00 1.00 C ATOM 1003 O CYS A 68 -8.330 3.496 3.744 1.00 1.00 O ATOM 1004 CB CYS A 68 -6.434 0.923 4.896 1.00 1.00 C ATOM 1005 SG CYS A 68 -4.610 0.946 4.742 1.00 1.00 S ATOM 0 H CYS A 68 -7.360 1.543 7.207 1.00 1.00 H new ATOM 0 HA CYS A 68 -6.180 3.014 4.971 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -6.735 0.184 5.638 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.884 0.625 3.949 1.00 1.00 H new ATOM 0 HG CYS A 68 -4.189 -0.235 4.399 1.00 1.00 H new ATOM 1010 N HIS A 69 -9.317 1.962 5.081 1.00 1.00 N ATOM 1011 CA HIS A 69 -10.646 2.180 4.536 1.00 1.00 C ATOM 1012 C HIS A 69 -11.351 3.284 5.326 1.00 1.00 C ATOM 1013 O HIS A 69 -12.224 3.005 6.146 1.00 1.00 O ATOM 1014 CB HIS A 69 -11.441 0.873 4.505 1.00 1.00 C ATOM 1015 CG HIS A 69 -10.825 -0.202 3.642 1.00 1.00 C ATOM 1016 ND1 HIS A 69 -10.758 -0.109 2.262 1.00 1.00 N ATOM 1017 CD2 HIS A 69 -10.246 -1.391 3.976 1.00 1.00 C ATOM 1018 CE1 HIS A 69 -10.166 -1.199 1.798 1.00 1.00 C ATOM 1019 NE2 HIS A 69 -9.850 -1.993 2.861 1.00 1.00 N ATOM 0 H HIS A 69 -9.268 1.257 5.816 1.00 1.00 H new ATOM 0 HA HIS A 69 -10.568 2.515 3.502 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -11.539 0.495 5.523 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -12.448 1.081 4.144 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -10.129 -1.777 4.978 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -9.968 -1.420 0.760 1.00 1.00 H new ATOM 0 HE2 HIS A 69 -9.386 -2.900 2.808 1.00 1.00 H new ATOM 1027 N LYS A 70 -10.946 4.515 5.050 1.00 1.00 N ATOM 1028 CA LYS A 70 -11.528 5.663 5.724 1.00 1.00 C ATOM 1029 C LYS A 70 -11.225 6.929 4.920 1.00 1.00 C ATOM 1030 O LYS A 70 -10.343 7.705 5.286 1.00 1.00 O ATOM 1031 CB LYS A 70 -11.052 5.728 7.177 1.00 1.00 C ATOM 1032 CG LYS A 70 -12.126 6.340 8.079 1.00 1.00 C ATOM 1033 CD LYS A 70 -12.662 5.307 9.072 1.00 1.00 C ATOM 1034 CE LYS A 70 -14.171 5.464 9.266 1.00 1.00 C ATOM 1035 NZ LYS A 70 -14.598 4.839 10.538 1.00 1.00 N ATOM 0 H LYS A 70 -10.222 4.742 4.369 1.00 1.00 H new ATOM 0 HA LYS A 70 -12.613 5.568 5.772 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -10.805 4.726 7.528 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -10.139 6.321 7.238 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -11.710 7.189 8.621 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -12.944 6.722 7.469 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -12.441 4.302 8.712 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -12.155 5.421 10.030 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.435 6.521 9.267 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -14.701 5.004 8.432 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -15.625 4.955 10.654 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -14.363 3.826 10.523 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -14.106 5.297 11.332 1.00 1.00 H new