USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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 47 HIS : no HD1:sc= -3.43! C(o=-2.9!,f=-2.8!) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.49 K(o=-2.9,f=-12!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -0.673! C(o=-2.5!,f=-7.1!) USER MOD Set 2.2: A 21 GLN : amide:sc= -1.72 K(o=-2.5,f=-5.2!) USER MOD Set 2.3: A 31 HIS : no HD1:sc= -0.152 X(o=-2.5,f=-2.5) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -0.451 K(o=-1,f=-3.7!) USER MOD Set 3.2: A 55 HIS : no HE2:sc= -0.573 K(o=-1,f=-4.2!) 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= -0.0243 X(o=-0.024,f=-0.13) 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 27 CYS SG : rot 6:sc= 0.0349 USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0103) 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 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= -0.0979 USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= -0.233 (180deg=-1.22) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.12 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.129 USER MOD Single : A 70 LYS NZ :NH3+ -103:sc= 0.138 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 4.155 11.174 4.678 1.00 0.00 N ATOM 12 CA ASP A 2 3.445 9.922 4.875 1.00 0.00 C ATOM 13 C ASP A 2 2.369 9.776 3.797 1.00 0.00 C ATOM 14 O ASP A 2 2.168 8.688 3.260 1.00 0.00 O ATOM 15 CB ASP A 2 2.755 9.889 6.240 1.00 0.00 C ATOM 16 CG ASP A 2 3.123 11.040 7.178 1.00 0.00 C ATOM 17 OD1 ASP A 2 2.536 12.131 7.112 1.00 0.00 O ATOM 18 OD2 ASP A 2 4.068 10.780 8.017 1.00 0.00 O ATOM 0 HA ASP A 2 4.170 9.110 4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.676 9.897 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.000 8.947 6.731 1.00 0.00 H new ATOM 24 N ASP A 3 1.706 10.887 3.514 1.00 0.00 N ATOM 25 CA ASP A 3 0.655 10.897 2.510 1.00 0.00 C ATOM 26 C ASP A 3 1.282 10.763 1.121 1.00 0.00 C ATOM 27 O ASP A 3 2.041 11.631 0.692 1.00 0.00 O ATOM 28 CB ASP A 3 -0.132 12.208 2.549 1.00 0.00 C ATOM 29 CG ASP A 3 -0.024 12.988 3.861 1.00 0.00 C ATOM 30 OD1 ASP A 3 1.021 13.581 4.167 1.00 0.00 O ATOM 31 OD2 ASP A 3 -1.086 12.973 4.593 1.00 0.00 O ATOM 0 H ASP A 3 1.876 11.787 3.962 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.019 10.066 2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.213 12.846 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.183 11.989 2.359 1.00 0.00 H new ATOM 37 N ILE A 4 0.942 9.668 0.456 1.00 0.00 N ATOM 38 CA ILE A 4 1.462 9.410 -0.876 1.00 0.00 C ATOM 39 C ILE A 4 0.308 9.023 -1.803 1.00 0.00 C ATOM 40 O ILE A 4 -0.481 8.136 -1.481 1.00 0.00 O ATOM 41 CB ILE A 4 2.582 8.369 -0.821 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.713 8.828 0.101 1.00 0.00 C ATOM 43 CG2 ILE A 4 3.088 8.034 -2.225 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.860 7.815 0.109 1.00 0.00 C ATOM 0 H ILE A 4 0.313 8.950 0.815 1.00 0.00 H new ATOM 0 HA ILE A 4 1.915 10.311 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 4 2.174 7.451 -0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.083 9.799 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.331 8.958 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.884 7.292 -2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.268 7.634 -2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.474 8.937 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.651 8.166 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.492 6.851 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.256 7.705 -0.901 1.00 0.00 H new ATOM 56 N VAL A 5 0.246 9.708 -2.936 1.00 0.00 N ATOM 57 CA VAL A 5 -0.798 9.447 -3.912 1.00 0.00 C ATOM 58 C VAL A 5 -0.238 8.563 -5.028 1.00 0.00 C ATOM 59 O VAL A 5 0.728 8.935 -5.693 1.00 0.00 O ATOM 60 CB VAL A 5 -1.375 10.767 -4.427 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.419 10.521 -5.517 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.963 11.593 -3.281 1.00 0.00 C ATOM 0 H VAL A 5 0.902 10.443 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.624 8.905 -3.452 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.559 11.339 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.813 11.476 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.957 9.993 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.232 9.919 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.366 12.526 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.760 11.029 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.182 11.814 -2.553 1.00 0.00 H new ATOM 72 N LEU A 6 -0.868 7.410 -5.199 1.00 0.00 N ATOM 73 CA LEU A 6 -0.445 6.471 -6.223 1.00 0.00 C ATOM 74 C LEU A 6 -1.342 6.625 -7.453 1.00 0.00 C ATOM 75 O LEU A 6 -2.437 6.068 -7.501 1.00 0.00 O ATOM 76 CB LEU A 6 -0.409 5.048 -5.663 1.00 0.00 C ATOM 77 CG LEU A 6 0.563 4.806 -4.507 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.242 3.497 -3.784 1.00 0.00 C ATOM 79 CD2 LEU A 6 2.014 4.852 -4.992 1.00 0.00 C ATOM 0 H LEU A 6 -1.668 7.105 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 6 0.574 6.689 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.413 4.785 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.154 4.366 -6.474 1.00 0.00 H new ATOM 0 HG LEU A 6 0.439 5.611 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.948 3.350 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.771 3.541 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.320 2.666 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.685 4.677 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.170 4.081 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.222 5.831 -5.424 1.00 0.00 H new ATOM 91 N LYS A 7 -0.843 7.385 -8.418 1.00 0.00 N ATOM 92 CA LYS A 7 -1.586 7.619 -9.645 1.00 0.00 C ATOM 93 C LYS A 7 -2.039 6.279 -10.226 1.00 0.00 C ATOM 94 O LYS A 7 -1.264 5.325 -10.274 1.00 0.00 O ATOM 95 CB LYS A 7 -0.760 8.464 -10.617 1.00 0.00 C ATOM 96 CG LYS A 7 -0.523 9.868 -10.059 1.00 0.00 C ATOM 97 CD LYS A 7 0.968 10.214 -10.061 1.00 0.00 C ATOM 98 CE LYS A 7 1.640 9.752 -8.766 1.00 0.00 C ATOM 99 NZ LYS A 7 2.586 10.780 -8.278 1.00 0.00 N ATOM 0 H LYS A 7 0.066 7.846 -8.375 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.487 8.198 -9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.197 7.977 -10.805 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.276 8.532 -11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.070 10.598 -10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.913 9.930 -9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.453 9.742 -10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.095 11.290 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.883 9.556 -8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.169 8.815 -8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.033 10.451 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.318 10.947 -8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.072 11.665 -8.094 1.00 0.00 H new ATOM 112 N ALA A 8 -3.293 6.249 -10.653 1.00 0.00 N ATOM 113 CA ALA A 8 -3.859 5.041 -11.229 1.00 0.00 C ATOM 114 C ALA A 8 -4.880 5.422 -12.302 1.00 0.00 C ATOM 115 O ALA A 8 -5.704 6.311 -12.092 1.00 0.00 O ATOM 116 CB ALA A 8 -4.472 4.184 -10.119 1.00 0.00 C ATOM 0 H ALA A 8 -3.933 7.042 -10.612 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.083 4.446 -11.710 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.897 3.278 -10.551 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.700 3.915 -9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.257 4.748 -9.615 1.00 0.00 H new ATOM 122 N LYS A 9 -4.792 4.732 -13.430 1.00 0.00 N ATOM 123 CA LYS A 9 -5.698 4.988 -14.537 1.00 0.00 C ATOM 124 C LYS A 9 -7.100 4.501 -14.165 1.00 0.00 C ATOM 125 O LYS A 9 -8.056 4.726 -14.906 1.00 0.00 O ATOM 126 CB LYS A 9 -5.155 4.371 -15.827 1.00 0.00 C ATOM 127 CG LYS A 9 -5.273 2.845 -15.798 1.00 0.00 C ATOM 128 CD LYS A 9 -6.164 2.342 -16.935 1.00 0.00 C ATOM 129 CE LYS A 9 -6.030 0.828 -17.107 1.00 0.00 C ATOM 130 NZ LYS A 9 -7.234 0.273 -17.765 1.00 0.00 N ATOM 0 H LYS A 9 -4.107 3.996 -13.601 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.772 6.058 -14.730 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.704 4.765 -16.682 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.111 4.656 -15.959 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.282 2.398 -15.883 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.685 2.527 -14.840 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.203 2.598 -16.728 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.892 2.843 -17.864 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.146 0.600 -17.702 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.890 0.356 -16.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.127 -0.756 -17.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.072 0.474 -17.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.351 0.710 -18.701 1.00 0.00 H new ATOM 143 N ASN A 10 -7.179 3.843 -13.018 1.00 0.00 N ATOM 144 CA ASN A 10 -8.448 3.323 -12.539 1.00 0.00 C ATOM 145 C ASN A 10 -8.775 3.956 -11.185 1.00 0.00 C ATOM 146 O ASN A 10 -9.449 3.345 -10.356 1.00 0.00 O ATOM 147 CB ASN A 10 -8.385 1.806 -12.349 1.00 0.00 C ATOM 148 CG ASN A 10 -9.619 1.127 -12.948 1.00 0.00 C ATOM 149 OD1 ASN A 10 -9.967 1.319 -14.101 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.258 0.324 -12.102 1.00 0.00 N ATOM 0 H ASN A 10 -6.384 3.658 -12.406 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.212 3.562 -13.279 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.484 1.414 -12.821 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.316 1.571 -11.287 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.093 -0.176 -12.406 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.913 0.208 -11.149 1.00 0.00 H new ATOM 157 N GLY A 11 -8.284 5.173 -11.002 1.00 0.00 N ATOM 158 CA GLY A 11 -8.516 5.895 -9.763 1.00 0.00 C ATOM 159 C GLY A 11 -7.271 5.873 -8.874 1.00 0.00 C ATOM 160 O GLY A 11 -6.753 4.805 -8.550 1.00 0.00 O ATOM 0 H GLY A 11 -7.726 5.677 -11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.791 6.926 -9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.356 5.449 -9.230 1.00 0.00 H new ATOM 164 N ASP A 12 -6.825 7.065 -8.505 1.00 0.00 N ATOM 165 CA ASP A 12 -5.650 7.196 -7.660 1.00 0.00 C ATOM 166 C ASP A 12 -5.905 6.489 -6.327 1.00 0.00 C ATOM 167 O ASP A 12 -7.053 6.314 -5.922 1.00 0.00 O ATOM 168 CB ASP A 12 -5.345 8.666 -7.364 1.00 0.00 C ATOM 169 CG ASP A 12 -6.388 9.382 -6.504 1.00 0.00 C ATOM 170 OD1 ASP A 12 -7.373 8.776 -6.057 1.00 0.00 O ATOM 171 OD2 ASP A 12 -6.156 10.634 -6.296 1.00 0.00 O ATOM 0 H ASP A 12 -7.256 7.949 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.805 6.751 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.379 8.727 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.248 9.199 -8.310 1.00 0.00 H new ATOM 177 N VAL A 13 -4.814 6.100 -5.682 1.00 0.00 N ATOM 178 CA VAL A 13 -4.905 5.416 -4.404 1.00 0.00 C ATOM 179 C VAL A 13 -4.176 6.237 -3.338 1.00 0.00 C ATOM 180 O VAL A 13 -2.983 6.507 -3.466 1.00 0.00 O ATOM 181 CB VAL A 13 -4.364 3.990 -4.534 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.497 3.231 -3.212 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.062 3.241 -5.670 1.00 0.00 C ATOM 0 H VAL A 13 -3.863 6.246 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.945 5.328 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.304 4.054 -4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.105 2.221 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.933 3.749 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.547 3.181 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.659 2.231 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.132 3.192 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.893 3.766 -6.610 1.00 0.00 H new ATOM 193 N LYS A 14 -4.924 6.611 -2.311 1.00 0.00 N ATOM 194 CA LYS A 14 -4.365 7.396 -1.224 1.00 0.00 C ATOM 195 C LYS A 14 -3.766 6.455 -0.176 1.00 0.00 C ATOM 196 O LYS A 14 -4.498 5.791 0.556 1.00 0.00 O ATOM 197 CB LYS A 14 -5.415 8.356 -0.660 1.00 0.00 C ATOM 198 CG LYS A 14 -4.758 9.459 0.173 1.00 0.00 C ATOM 199 CD LYS A 14 -4.245 8.908 1.505 1.00 0.00 C ATOM 200 CE LYS A 14 -4.782 9.727 2.680 1.00 0.00 C ATOM 201 NZ LYS A 14 -6.199 9.389 2.944 1.00 0.00 N ATOM 0 H LYS A 14 -5.913 6.385 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.554 8.026 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.982 8.801 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.124 7.804 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.931 9.898 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.477 10.257 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.549 7.867 1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.155 8.924 1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.184 9.532 3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.691 10.791 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.547 9.954 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.769 9.597 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.278 8.378 3.174 1.00 0.00 H new ATOM 214 N PHE A 15 -2.442 6.428 -0.139 1.00 0.00 N ATOM 215 CA PHE A 15 -1.738 5.579 0.807 1.00 0.00 C ATOM 216 C PHE A 15 -1.107 6.411 1.925 1.00 0.00 C ATOM 217 O PHE A 15 -0.307 7.315 1.695 1.00 0.00 O ATOM 218 CB PHE A 15 -0.629 4.868 0.029 1.00 0.00 C ATOM 219 CG PHE A 15 0.256 3.966 0.891 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.305 2.983 1.646 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.604 4.147 0.904 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.516 2.146 2.446 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.425 3.309 1.704 1.00 0.00 C ATOM 224 CZ PHE A 15 1.864 2.327 2.459 1.00 0.00 C ATOM 0 H PHE A 15 -1.838 6.980 -0.748 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.432 4.873 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.081 4.268 -0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.003 5.616 -0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.375 2.840 1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.050 4.928 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.070 1.365 3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.496 3.452 1.713 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.489 1.691 3.069 1.00 0.00 H new ATOM 234 N PRO A 16 -1.490 6.079 3.160 1.00 0.00 N ATOM 235 CA PRO A 16 -1.019 6.730 4.364 1.00 0.00 C ATOM 236 C PRO A 16 0.274 6.074 4.826 1.00 0.00 C ATOM 237 O PRO A 16 0.211 5.079 5.547 1.00 0.00 O ATOM 238 CB PRO A 16 -2.135 6.521 5.385 1.00 0.00 C ATOM 239 CG PRO A 16 -2.682 5.143 4.968 1.00 0.00 C ATOM 240 CD PRO A 16 -2.428 5.021 3.467 1.00 0.00 C ATOM 0 HA PRO A 16 -0.804 7.789 4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.759 6.520 6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.896 7.299 5.325 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.181 4.344 5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.746 5.063 5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.017 4.043 3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.352 5.135 2.900 1.00 0.00 H new ATOM 248 N HIS A 17 1.403 6.629 4.412 1.00 0.00 N ATOM 249 CA HIS A 17 2.693 6.080 4.796 1.00 0.00 C ATOM 250 C HIS A 17 3.039 6.529 6.217 1.00 0.00 C ATOM 251 O HIS A 17 4.140 7.019 6.466 1.00 0.00 O ATOM 252 CB HIS A 17 3.769 6.456 3.776 1.00 0.00 C ATOM 253 CG HIS A 17 5.114 5.822 4.040 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.954 6.240 5.057 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.754 4.795 3.409 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.048 5.493 5.030 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.922 4.599 4.008 1.00 0.00 N ATOM 0 H HIS A 17 1.452 7.454 3.814 1.00 0.00 H new ATOM 0 HA HIS A 17 2.643 4.991 4.799 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.430 6.165 2.782 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.885 7.540 3.768 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.763 6.995 5.716 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.375 4.237 2.566 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.891 5.577 5.700 1.00 0.00 H new ATOM 265 N LYS A 18 2.080 6.344 7.112 1.00 0.00 N ATOM 266 CA LYS A 18 2.270 6.724 8.502 1.00 0.00 C ATOM 267 C LYS A 18 1.683 5.640 9.407 1.00 0.00 C ATOM 268 O LYS A 18 2.418 4.943 10.105 1.00 0.00 O ATOM 269 CB LYS A 18 1.695 8.118 8.760 1.00 0.00 C ATOM 270 CG LYS A 18 1.110 8.218 10.170 1.00 0.00 C ATOM 271 CD LYS A 18 2.121 7.747 11.217 1.00 0.00 C ATOM 272 CE LYS A 18 2.107 8.662 12.443 1.00 0.00 C ATOM 273 NZ LYS A 18 3.067 9.775 12.270 1.00 0.00 N ATOM 0 H LYS A 18 1.169 5.936 6.902 1.00 0.00 H new ATOM 0 HA LYS A 18 3.332 6.794 8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.477 8.867 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.921 8.338 8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.821 9.249 10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.205 7.614 10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.889 6.726 11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.120 7.731 10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.104 9.060 12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.362 8.089 13.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.045 10.386 13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.025 9.391 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.806 10.331 11.431 1.00 0.00 H new ATOM 286 N ALA A 19 0.363 5.531 9.367 1.00 0.00 N ATOM 287 CA ALA A 19 -0.332 4.543 10.175 1.00 0.00 C ATOM 288 C ALA A 19 0.243 3.156 9.882 1.00 0.00 C ATOM 289 O ALA A 19 0.162 2.257 10.719 1.00 0.00 O ATOM 290 CB ALA A 19 -1.834 4.622 9.898 1.00 0.00 C ATOM 0 H ALA A 19 -0.244 6.111 8.787 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.186 4.743 11.236 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.355 3.881 10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.199 5.618 10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.020 4.423 8.843 1.00 0.00 H new ATOM 296 N HIS A 20 0.810 3.024 8.692 1.00 0.00 N ATOM 297 CA HIS A 20 1.398 1.761 8.279 1.00 0.00 C ATOM 298 C HIS A 20 2.747 1.571 8.976 1.00 0.00 C ATOM 299 O HIS A 20 3.407 0.550 8.789 1.00 0.00 O ATOM 300 CB HIS A 20 1.503 1.684 6.754 1.00 0.00 C ATOM 301 CG HIS A 20 0.203 1.339 6.067 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.733 2.294 5.711 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.305 0.136 5.673 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.755 1.682 5.131 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.488 0.345 5.109 1.00 0.00 N ATOM 0 H HIS A 20 0.875 3.771 8.000 1.00 0.00 H new ATOM 0 HA HIS A 20 0.752 0.938 8.583 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.859 2.642 6.375 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.252 0.938 6.489 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.650 3.298 5.868 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.174 -0.824 5.799 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.643 2.158 4.744 1.00 0.00 H new ATOM 313 N GLN A 21 3.116 2.570 9.764 1.00 0.00 N ATOM 314 CA GLN A 21 4.374 2.525 10.490 1.00 0.00 C ATOM 315 C GLN A 21 4.155 1.967 11.898 1.00 0.00 C ATOM 316 O GLN A 21 4.828 1.022 12.307 1.00 0.00 O ATOM 317 CB GLN A 21 5.025 3.908 10.543 1.00 0.00 C ATOM 318 CG GLN A 21 5.407 4.389 9.142 1.00 0.00 C ATOM 319 CD GLN A 21 5.732 5.884 9.145 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.171 6.666 9.895 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.666 6.236 8.266 1.00 0.00 N ATOM 0 H GLN A 21 2.566 3.415 9.916 1.00 0.00 H new ATOM 0 HA GLN A 21 5.054 1.859 9.959 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.338 4.620 11.001 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.913 3.872 11.174 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.269 3.827 8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.588 4.193 8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.095 5.530 7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.953 7.212 8.190 1.00 0.00 H new ATOM 330 N LYS A 22 3.211 2.576 12.601 1.00 0.00 N ATOM 331 CA LYS A 22 2.895 2.152 13.954 1.00 0.00 C ATOM 332 C LYS A 22 2.272 0.755 13.914 1.00 0.00 C ATOM 333 O LYS A 22 2.367 0.002 14.882 1.00 0.00 O ATOM 334 CB LYS A 22 2.021 3.196 14.652 1.00 0.00 C ATOM 335 CG LYS A 22 2.834 4.442 15.010 1.00 0.00 C ATOM 336 CD LYS A 22 3.253 4.419 16.481 1.00 0.00 C ATOM 337 CE LYS A 22 2.818 5.701 17.194 1.00 0.00 C ATOM 338 NZ LYS A 22 1.398 5.613 17.599 1.00 0.00 N ATOM 0 H LYS A 22 2.655 3.360 12.259 1.00 0.00 H new ATOM 0 HA LYS A 22 3.803 2.079 14.552 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.191 3.473 14.002 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.589 2.768 15.556 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.719 4.497 14.377 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.243 5.336 14.810 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.810 3.555 16.976 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.335 4.307 16.553 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.443 5.866 18.072 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.962 6.557 16.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.120 6.491 18.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.804 5.478 16.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.270 4.808 18.245 1.00 0.00 H new ATOM 351 N ALA A 23 1.648 0.452 12.785 1.00 0.00 N ATOM 352 CA ALA A 23 1.010 -0.840 12.606 1.00 0.00 C ATOM 353 C ALA A 23 2.060 -1.869 12.182 1.00 0.00 C ATOM 354 O ALA A 23 1.923 -3.057 12.470 1.00 0.00 O ATOM 355 CB ALA A 23 -0.125 -0.713 11.589 1.00 0.00 C ATOM 0 H ALA A 23 1.571 1.080 11.985 1.00 0.00 H new ATOM 0 HA ALA A 23 0.571 -1.184 13.543 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.604 -1.683 11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.859 0.007 11.951 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.278 -0.372 10.635 1.00 0.00 H new ATOM 361 N VAL A 24 3.086 -1.375 11.505 1.00 0.00 N ATOM 362 CA VAL A 24 4.159 -2.236 11.038 1.00 0.00 C ATOM 363 C VAL A 24 5.501 -1.529 11.243 1.00 0.00 C ATOM 364 O VAL A 24 6.233 -1.232 10.301 1.00 0.00 O ATOM 365 CB VAL A 24 3.912 -2.638 9.583 1.00 0.00 C ATOM 366 CG1 VAL A 24 5.003 -3.587 9.083 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.525 -3.261 9.414 1.00 0.00 C ATOM 0 H VAL A 24 3.197 -0.389 11.269 1.00 0.00 H new ATOM 0 HA VAL A 24 4.186 -3.159 11.616 1.00 0.00 H new ATOM 0 HB VAL A 24 3.950 -1.734 8.975 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.803 -3.857 8.046 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.973 -3.094 9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.012 -4.487 9.697 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.375 -3.538 8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.447 -4.150 10.040 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.764 -2.540 9.711 1.00 0.00 H new ATOM 377 N PRO A 25 5.810 -1.262 12.514 1.00 0.00 N ATOM 378 CA PRO A 25 7.026 -0.603 12.937 1.00 0.00 C ATOM 379 C PRO A 25 8.198 -1.116 12.112 1.00 0.00 C ATOM 380 O PRO A 25 9.170 -0.381 11.940 1.00 0.00 O ATOM 381 CB PRO A 25 7.185 -0.980 14.408 1.00 0.00 C ATOM 382 CG PRO A 25 5.739 -1.094 14.866 1.00 0.00 C ATOM 383 CD PRO A 25 4.972 -1.597 13.646 1.00 0.00 C ATOM 0 HA PRO A 25 6.991 0.478 12.803 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.727 -1.918 14.532 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.731 -0.220 14.967 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.644 -1.785 15.703 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.355 -0.131 15.203 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.798 -2.671 13.704 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.995 -1.120 13.569 1.00 0.00 H new ATOM 391 N ASP A 26 8.090 -2.344 11.627 1.00 0.00 N ATOM 392 CA ASP A 26 9.154 -2.929 10.828 1.00 0.00 C ATOM 393 C ASP A 26 9.080 -2.374 9.405 1.00 0.00 C ATOM 394 O ASP A 26 8.108 -2.613 8.690 1.00 0.00 O ATOM 395 CB ASP A 26 9.011 -4.450 10.750 1.00 0.00 C ATOM 396 CG ASP A 26 10.079 -5.158 9.915 1.00 0.00 C ATOM 397 OD1 ASP A 26 10.968 -4.515 9.336 1.00 0.00 O ATOM 398 OD2 ASP A 26 9.973 -6.443 9.869 1.00 0.00 O ATOM 0 H ASP A 26 7.282 -2.950 11.772 1.00 0.00 H new ATOM 0 HA ASP A 26 10.105 -2.680 11.298 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.035 -4.854 11.762 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.031 -4.687 10.335 1.00 0.00 H new ATOM 404 N CYS A 27 10.122 -1.643 9.034 1.00 0.00 N ATOM 405 CA CYS A 27 10.187 -1.052 7.708 1.00 0.00 C ATOM 406 C CYS A 27 10.791 -2.082 6.752 1.00 0.00 C ATOM 407 O CYS A 27 10.681 -1.944 5.535 1.00 0.00 O ATOM 408 CB CYS A 27 10.980 0.257 7.711 1.00 0.00 C ATOM 409 SG CYS A 27 10.795 1.263 9.229 1.00 0.00 S ATOM 0 H CYS A 27 10.927 -1.447 9.628 1.00 0.00 H new ATOM 0 HA CYS A 27 9.183 -0.792 7.373 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.036 0.026 7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.669 0.856 6.855 1.00 0.00 H new ATOM 0 HG CYS A 27 10.098 0.602 10.105 1.00 0.00 H new ATOM 414 N LYS A 28 11.415 -3.093 7.340 1.00 0.00 N ATOM 415 CA LYS A 28 12.036 -4.146 6.555 1.00 0.00 C ATOM 416 C LYS A 28 10.953 -5.091 6.030 1.00 0.00 C ATOM 417 O LYS A 28 11.244 -6.013 5.270 1.00 0.00 O ATOM 418 CB LYS A 28 13.124 -4.850 7.369 1.00 0.00 C ATOM 419 CG LYS A 28 14.203 -3.859 7.814 1.00 0.00 C ATOM 420 CD LYS A 28 15.600 -4.382 7.476 1.00 0.00 C ATOM 421 CE LYS A 28 16.674 -3.364 7.861 1.00 0.00 C ATOM 422 NZ LYS A 28 16.851 -3.328 9.330 1.00 0.00 N ATOM 0 H LYS A 28 11.504 -3.205 8.350 1.00 0.00 H new ATOM 0 HA LYS A 28 12.542 -3.725 5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.679 -5.326 8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.576 -5.641 6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.043 -2.898 7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.125 -3.688 8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.778 -5.320 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.663 -4.597 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.618 -3.623 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.393 -2.375 7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.619 -2.669 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.968 -3.010 9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.091 -4.280 9.674 1.00 0.00 H new ATOM 435 N LYS A 29 9.727 -4.829 6.457 1.00 0.00 N ATOM 436 CA LYS A 29 8.599 -5.645 6.040 1.00 0.00 C ATOM 437 C LYS A 29 8.346 -5.431 4.546 1.00 0.00 C ATOM 438 O LYS A 29 8.266 -6.393 3.783 1.00 0.00 O ATOM 439 CB LYS A 29 7.378 -5.360 6.917 1.00 0.00 C ATOM 440 CG LYS A 29 7.260 -6.388 8.043 1.00 0.00 C ATOM 441 CD LYS A 29 6.799 -7.743 7.503 1.00 0.00 C ATOM 442 CE LYS A 29 5.429 -8.121 8.069 1.00 0.00 C ATOM 443 NZ LYS A 29 4.356 -7.378 7.371 1.00 0.00 N ATOM 0 H LYS A 29 9.490 -4.063 7.088 1.00 0.00 H new ATOM 0 HA LYS A 29 8.822 -6.703 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.456 -4.359 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.475 -5.379 6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.223 -6.500 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.553 -6.032 8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.750 -7.707 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.528 -8.510 7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.267 -9.193 7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.397 -7.901 9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.433 -7.647 7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.503 -6.356 7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.377 -7.608 6.357 1.00 0.00 H new ATOM 456 N CYS A 30 8.228 -4.166 4.173 1.00 0.00 N ATOM 457 CA CYS A 30 7.986 -3.814 2.784 1.00 0.00 C ATOM 458 C CYS A 30 9.330 -3.492 2.129 1.00 0.00 C ATOM 459 O CYS A 30 9.672 -4.061 1.093 1.00 0.00 O ATOM 460 CB CYS A 30 6.997 -2.653 2.658 1.00 0.00 C ATOM 461 SG CYS A 30 5.582 -2.911 3.790 1.00 0.00 S ATOM 0 H CYS A 30 8.295 -3.371 4.809 1.00 0.00 H new ATOM 0 HA CYS A 30 7.524 -4.656 2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.495 -1.713 2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.642 -2.577 1.630 1.00 0.00 H new ATOM 0 HG CYS A 30 4.749 -1.919 3.677 1.00 0.00 H new ATOM 466 N HIS A 31 10.056 -2.580 2.759 1.00 0.00 N ATOM 467 CA HIS A 31 11.356 -2.176 2.250 1.00 0.00 C ATOM 468 C HIS A 31 12.360 -3.314 2.444 1.00 0.00 C ATOM 469 O HIS A 31 12.755 -3.612 3.570 1.00 0.00 O ATOM 470 CB HIS A 31 11.810 -0.867 2.899 1.00 0.00 C ATOM 471 CG HIS A 31 10.884 0.298 2.646 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.650 0.808 1.380 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.137 1.047 3.507 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.799 1.818 1.487 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.483 1.965 2.806 1.00 0.00 N ATOM 0 H HIS A 31 9.769 -2.109 3.617 1.00 0.00 H new ATOM 0 HA HIS A 31 11.287 -1.979 1.180 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.900 -1.019 3.975 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.804 -0.615 2.528 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.086 0.915 4.578 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.422 2.419 0.673 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.849 2.665 3.190 1.00 0.00 H new ATOM 483 N GLU A 32 12.743 -3.918 1.329 1.00 0.00 N ATOM 484 CA GLU A 32 13.693 -5.017 1.362 1.00 0.00 C ATOM 485 C GLU A 32 15.123 -4.486 1.244 1.00 0.00 C ATOM 486 O GLU A 32 15.964 -4.760 2.099 1.00 0.00 O ATOM 487 CB GLU A 32 13.394 -6.034 0.259 1.00 0.00 C ATOM 488 CG GLU A 32 12.727 -7.286 0.835 1.00 0.00 C ATOM 489 CD GLU A 32 12.874 -8.473 -0.120 1.00 0.00 C ATOM 490 OE1 GLU A 32 13.993 -8.785 -0.554 1.00 0.00 O ATOM 491 OE2 GLU A 32 11.773 -9.080 -0.408 1.00 0.00 O ATOM 0 H GLU A 32 12.413 -3.667 0.397 1.00 0.00 H new ATOM 0 HA GLU A 32 13.593 -5.529 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.744 -5.583 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.319 -6.310 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.175 -7.531 1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.670 -7.089 1.016 1.00 0.00 H new ATOM 499 N LYS A 33 15.356 -3.735 0.177 1.00 0.00 N ATOM 500 CA LYS A 33 16.669 -3.162 -0.064 1.00 0.00 C ATOM 501 C LYS A 33 16.848 -1.921 0.813 1.00 0.00 C ATOM 502 O LYS A 33 17.888 -1.265 0.761 1.00 0.00 O ATOM 503 CB LYS A 33 16.872 -2.896 -1.556 1.00 0.00 C ATOM 504 CG LYS A 33 16.472 -4.115 -2.390 1.00 0.00 C ATOM 505 CD LYS A 33 14.985 -4.071 -2.747 1.00 0.00 C ATOM 506 CE LYS A 33 14.762 -4.440 -4.215 1.00 0.00 C ATOM 507 NZ LYS A 33 13.376 -4.915 -4.426 1.00 0.00 N ATOM 0 H LYS A 33 14.657 -3.510 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 33 17.450 -3.867 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.279 -2.033 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.916 -2.648 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.068 -4.147 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.689 -5.027 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.433 -4.760 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.591 -3.073 -2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.956 -3.574 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.468 -5.216 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.242 -5.161 -5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.203 -5.755 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.707 -4.163 -4.162 1.00 0.00 H new ATOM 520 N GLY A 34 15.820 -1.636 1.598 1.00 0.00 N ATOM 521 CA GLY A 34 15.851 -0.485 2.484 1.00 0.00 C ATOM 522 C GLY A 34 14.831 0.569 2.049 1.00 0.00 C ATOM 523 O GLY A 34 14.234 0.497 0.977 1.00 0.00 O ATOM 0 H GLY A 34 14.960 -2.183 1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.639 -0.802 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.850 -0.050 2.486 1.00 0.00 H new ATOM 527 N PRO A 35 14.643 1.565 2.918 1.00 0.00 N ATOM 528 CA PRO A 35 13.729 2.668 2.711 1.00 0.00 C ATOM 529 C PRO A 35 13.976 3.284 1.342 1.00 0.00 C ATOM 530 O PRO A 35 15.135 3.453 0.966 1.00 0.00 O ATOM 531 CB PRO A 35 14.054 3.660 3.825 1.00 0.00 C ATOM 532 CG PRO A 35 15.426 3.183 4.446 1.00 0.00 C ATOM 533 CD PRO A 35 15.328 1.681 4.187 1.00 0.00 C ATOM 0 HA PRO A 35 12.683 2.364 2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.135 4.674 3.433 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.267 3.671 4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.286 3.635 3.953 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.507 3.418 5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.316 1.222 4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.776 1.179 4.981 1.00 0.00 H new ATOM 541 N GLY A 36 12.903 3.604 0.632 1.00 0.00 N ATOM 542 CA GLY A 36 13.029 4.197 -0.688 1.00 0.00 C ATOM 543 C GLY A 36 11.998 3.609 -1.654 1.00 0.00 C ATOM 544 O GLY A 36 11.068 2.924 -1.232 1.00 0.00 O ATOM 0 H GLY A 36 11.943 3.464 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.895 5.277 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.034 4.025 -1.074 1.00 0.00 H new ATOM 548 N LYS A 37 12.197 3.900 -2.931 1.00 0.00 N ATOM 549 CA LYS A 37 11.296 3.409 -3.960 1.00 0.00 C ATOM 550 C LYS A 37 11.431 1.889 -4.067 1.00 0.00 C ATOM 551 O LYS A 37 12.513 1.342 -3.858 1.00 0.00 O ATOM 552 CB LYS A 37 11.540 4.142 -5.280 1.00 0.00 C ATOM 553 CG LYS A 37 10.242 4.281 -6.078 1.00 0.00 C ATOM 554 CD LYS A 37 10.169 3.234 -7.192 1.00 0.00 C ATOM 555 CE LYS A 37 9.642 3.850 -8.489 1.00 0.00 C ATOM 556 NZ LYS A 37 10.595 3.619 -9.598 1.00 0.00 N ATOM 0 H LYS A 37 12.969 4.470 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 37 10.261 3.620 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.956 5.130 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.278 3.599 -5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.387 4.168 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.181 5.280 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.158 2.810 -7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.519 2.415 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.674 3.416 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.486 4.920 -8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.222 4.044 -10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.510 4.054 -9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.723 2.597 -9.738 1.00 0.00 H new ATOM 569 N ILE A 38 10.317 1.249 -4.391 1.00 0.00 N ATOM 570 CA ILE A 38 10.298 -0.198 -4.528 1.00 0.00 C ATOM 571 C ILE A 38 10.270 -0.564 -6.013 1.00 0.00 C ATOM 572 O ILE A 38 9.341 -0.194 -6.730 1.00 0.00 O ATOM 573 CB ILE A 38 9.141 -0.796 -3.725 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.229 -0.392 -2.252 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.081 -2.315 -3.900 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.945 -0.758 -1.505 1.00 0.00 C ATOM 0 H ILE A 38 9.421 1.706 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 38 11.205 -0.633 -4.109 1.00 0.00 H new ATOM 0 HB ILE A 38 8.208 -0.389 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.080 -0.889 -1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.405 0.681 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.250 -2.716 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.936 -2.554 -4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.014 -2.758 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.034 -0.460 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.100 -0.241 -1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.785 -1.835 -1.563 1.00 0.00 H new ATOM 588 N GLU A 39 11.298 -1.288 -6.431 1.00 0.00 N ATOM 589 CA GLU A 39 11.403 -1.709 -7.817 1.00 0.00 C ATOM 590 C GLU A 39 10.574 -2.973 -8.052 1.00 0.00 C ATOM 591 O GLU A 39 10.630 -3.912 -7.260 1.00 0.00 O ATOM 592 CB GLU A 39 12.864 -1.929 -8.215 1.00 0.00 C ATOM 593 CG GLU A 39 13.617 -0.599 -8.297 1.00 0.00 C ATOM 594 CD GLU A 39 14.599 -0.452 -7.134 1.00 0.00 C ATOM 595 OE1 GLU A 39 14.271 0.184 -6.121 1.00 0.00 O ATOM 596 OE2 GLU A 39 15.740 -1.028 -7.307 1.00 0.00 O ATOM 0 H GLU A 39 12.066 -1.594 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 39 11.005 -0.915 -8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.348 -2.581 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.910 -2.437 -9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.156 -0.540 -9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.906 0.227 -8.284 1.00 0.00 H new ATOM 604 N GLY A 40 9.825 -2.956 -9.145 1.00 0.00 N ATOM 605 CA GLY A 40 8.986 -4.090 -9.494 1.00 0.00 C ATOM 606 C GLY A 40 7.522 -3.817 -9.142 1.00 0.00 C ATOM 607 O GLY A 40 6.618 -4.224 -9.871 1.00 0.00 O ATOM 0 H GLY A 40 9.782 -2.175 -9.800 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.075 -4.298 -10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.331 -4.979 -8.966 1.00 0.00 H new ATOM 611 N PHE A 41 7.333 -3.132 -8.024 1.00 0.00 N ATOM 612 CA PHE A 41 5.995 -2.800 -7.567 1.00 0.00 C ATOM 613 C PHE A 41 5.082 -2.455 -8.745 1.00 0.00 C ATOM 614 O PHE A 41 5.560 -2.104 -9.823 1.00 0.00 O ATOM 615 CB PHE A 41 6.122 -1.575 -6.660 1.00 0.00 C ATOM 616 CG PHE A 41 4.805 -1.135 -6.019 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.230 -1.899 -5.052 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.208 0.021 -6.416 1.00 0.00 C ATOM 619 CE1 PHE A 41 3.007 -1.491 -4.457 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.985 0.430 -5.821 1.00 0.00 C ATOM 621 CZ PHE A 41 2.410 -0.335 -4.854 1.00 0.00 C ATOM 0 H PHE A 41 8.085 -2.798 -7.421 1.00 0.00 H new ATOM 0 HA PHE A 41 5.560 -3.651 -7.043 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.843 -1.793 -5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.526 -0.746 -7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.704 -2.817 -4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.664 0.628 -7.184 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.551 -2.098 -3.689 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.512 1.348 -6.136 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.480 -0.025 -4.402 1.00 0.00 H new ATOM 631 N GLY A 42 3.785 -2.566 -8.500 1.00 0.00 N ATOM 632 CA GLY A 42 2.801 -2.270 -9.528 1.00 0.00 C ATOM 633 C GLY A 42 1.422 -2.806 -9.138 1.00 0.00 C ATOM 634 O GLY A 42 1.128 -2.971 -7.955 1.00 0.00 O ATOM 0 H GLY A 42 3.392 -2.857 -7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.746 -1.193 -9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.113 -2.713 -10.474 1.00 0.00 H new ATOM 638 N LYS A 43 0.614 -3.065 -10.155 1.00 0.00 N ATOM 639 CA LYS A 43 -0.727 -3.579 -9.933 1.00 0.00 C ATOM 640 C LYS A 43 -0.639 -4.921 -9.203 1.00 0.00 C ATOM 641 O LYS A 43 -0.855 -4.989 -7.994 1.00 0.00 O ATOM 642 CB LYS A 43 -1.500 -3.647 -11.252 1.00 0.00 C ATOM 643 CG LYS A 43 -3.006 -3.745 -11.001 1.00 0.00 C ATOM 644 CD LYS A 43 -3.658 -4.745 -11.958 1.00 0.00 C ATOM 645 CE LYS A 43 -4.805 -4.095 -12.732 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.055 -4.822 -13.997 1.00 0.00 N ATOM 0 H LYS A 43 0.862 -2.929 -11.135 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.293 -2.903 -9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.284 -2.762 -11.850 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.167 -4.510 -11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.187 -4.051 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.464 -2.764 -11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.912 -5.124 -12.657 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.033 -5.600 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.708 -4.094 -12.122 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.563 -3.054 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.837 -4.367 -14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.197 -4.801 -14.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.307 -5.809 -13.786 1.00 0.00 H new ATOM 659 N GLU A 44 -0.322 -5.955 -9.968 1.00 0.00 N ATOM 660 CA GLU A 44 -0.203 -7.291 -9.409 1.00 0.00 C ATOM 661 C GLU A 44 0.361 -7.224 -7.989 1.00 0.00 C ATOM 662 O GLU A 44 -0.038 -7.999 -7.121 1.00 0.00 O ATOM 663 CB GLU A 44 0.661 -8.184 -10.301 1.00 0.00 C ATOM 664 CG GLU A 44 -0.152 -8.744 -11.470 1.00 0.00 C ATOM 665 CD GLU A 44 -1.205 -7.736 -11.938 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.252 -7.589 -11.291 1.00 0.00 O ATOM 667 OE2 GLU A 44 -0.903 -7.092 -13.014 1.00 0.00 O ATOM 0 H GLU A 44 -0.144 -5.895 -10.971 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.198 -7.734 -9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.507 -7.613 -10.683 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.070 -9.005 -9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.515 -8.989 -12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.640 -9.671 -11.168 1.00 0.00 H new ATOM 675 N MET A 45 1.282 -6.291 -7.796 1.00 0.00 N ATOM 676 CA MET A 45 1.905 -6.112 -6.496 1.00 0.00 C ATOM 677 C MET A 45 0.913 -5.530 -5.487 1.00 0.00 C ATOM 678 O MET A 45 0.663 -6.127 -4.441 1.00 0.00 O ATOM 679 CB MET A 45 3.107 -5.174 -6.630 1.00 0.00 C ATOM 680 CG MET A 45 4.250 -5.613 -5.713 1.00 0.00 C ATOM 681 SD MET A 45 5.237 -6.861 -6.522 1.00 0.00 S ATOM 682 CE MET A 45 6.583 -6.996 -5.357 1.00 0.00 C ATOM 0 H MET A 45 1.612 -5.651 -8.519 1.00 0.00 H new ATOM 0 HA MET A 45 2.232 -7.087 -6.134 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.450 -5.162 -7.665 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.808 -4.156 -6.382 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.872 -4.755 -5.457 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.848 -6.005 -4.779 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.297 -7.739 -5.711 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.080 -6.031 -5.262 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.194 -7.300 -4.385 1.00 0.00 H new ATOM 692 N ALA A 46 0.375 -4.371 -5.837 1.00 0.00 N ATOM 693 CA ALA A 46 -0.585 -3.701 -4.975 1.00 0.00 C ATOM 694 C ALA A 46 -1.694 -4.683 -4.594 1.00 0.00 C ATOM 695 O ALA A 46 -1.986 -4.867 -3.413 1.00 0.00 O ATOM 696 CB ALA A 46 -1.125 -2.457 -5.682 1.00 0.00 C ATOM 0 H ALA A 46 0.585 -3.879 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.107 -3.370 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.845 -1.955 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.301 -1.778 -5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.614 -2.750 -6.611 1.00 0.00 H new ATOM 702 N HIS A 47 -2.282 -5.288 -5.615 1.00 0.00 N ATOM 703 CA HIS A 47 -3.352 -6.247 -5.402 1.00 0.00 C ATOM 704 C HIS A 47 -2.782 -7.524 -4.784 1.00 0.00 C ATOM 705 O HIS A 47 -3.443 -8.177 -3.978 1.00 0.00 O ATOM 706 CB HIS A 47 -4.116 -6.507 -6.702 1.00 0.00 C ATOM 707 CG HIS A 47 -4.662 -5.260 -7.354 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.817 -5.136 -8.724 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.089 -4.084 -6.810 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.315 -3.935 -8.981 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.482 -3.284 -7.794 1.00 0.00 N ATOM 0 H HIS A 47 -2.037 -5.132 -6.593 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.077 -5.837 -4.699 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.454 -7.012 -7.405 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.942 -7.188 -6.496 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.105 -3.844 -5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.548 -3.541 -9.959 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.848 -2.339 -7.681 1.00 0.00 H new ATOM 719 N GLY A 48 -1.560 -7.843 -5.185 1.00 0.00 N ATOM 720 CA GLY A 48 -0.892 -9.031 -4.680 1.00 0.00 C ATOM 721 C GLY A 48 -0.412 -8.821 -3.243 1.00 0.00 C ATOM 722 O GLY A 48 -1.138 -8.272 -2.415 1.00 0.00 O ATOM 0 H GLY A 48 -1.015 -7.299 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.574 -9.880 -4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.043 -9.274 -5.319 1.00 0.00 H new ATOM 726 N LYS A 49 0.809 -9.269 -2.990 1.00 0.00 N ATOM 727 CA LYS A 49 1.396 -9.137 -1.667 1.00 0.00 C ATOM 728 C LYS A 49 2.042 -7.756 -1.536 1.00 0.00 C ATOM 729 O LYS A 49 3.125 -7.626 -0.967 1.00 0.00 O ATOM 730 CB LYS A 49 2.356 -10.295 -1.388 1.00 0.00 C ATOM 731 CG LYS A 49 3.644 -10.146 -2.202 1.00 0.00 C ATOM 732 CD LYS A 49 3.663 -11.121 -3.381 1.00 0.00 C ATOM 733 CE LYS A 49 4.502 -10.570 -4.535 1.00 0.00 C ATOM 734 NZ LYS A 49 5.802 -11.274 -4.613 1.00 0.00 N ATOM 0 H LYS A 49 1.408 -9.724 -3.679 1.00 0.00 H new ATOM 0 HA LYS A 49 0.625 -9.202 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.595 -10.327 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.873 -11.240 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.730 -9.123 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.507 -10.328 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.068 -12.080 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.644 -11.304 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.961 -10.687 -5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.668 -9.502 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.359 -10.888 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.323 -11.140 -3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.638 -12.289 -4.769 1.00 0.00 H new ATOM 747 N GLY A 50 1.351 -6.761 -2.072 1.00 0.00 N ATOM 748 CA GLY A 50 1.844 -5.395 -2.022 1.00 0.00 C ATOM 749 C GLY A 50 0.979 -4.533 -1.099 1.00 0.00 C ATOM 750 O GLY A 50 1.494 -3.870 -0.201 1.00 0.00 O ATOM 0 H GLY A 50 0.453 -6.873 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.875 -5.390 -1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.848 -4.969 -3.025 1.00 0.00 H new ATOM 754 N CYS A 51 -0.320 -4.571 -1.354 1.00 0.00 N ATOM 755 CA CYS A 51 -1.261 -3.802 -0.558 1.00 0.00 C ATOM 756 C CYS A 51 -2.317 -4.760 -0.003 1.00 0.00 C ATOM 757 O CYS A 51 -2.182 -5.259 1.113 1.00 0.00 O ATOM 758 CB CYS A 51 -1.891 -2.666 -1.368 1.00 0.00 C ATOM 759 SG CYS A 51 -0.702 -1.434 -2.013 1.00 0.00 S ATOM 0 H CYS A 51 -0.743 -5.122 -2.101 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.736 -3.324 0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.438 -3.096 -2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.621 -2.153 -0.741 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.342 -0.522 -2.683 1.00 0.00 H new ATOM 764 N LYS A 52 -3.345 -4.988 -0.808 1.00 0.00 N ATOM 765 CA LYS A 52 -4.423 -5.877 -0.412 1.00 0.00 C ATOM 766 C LYS A 52 -3.832 -7.132 0.234 1.00 0.00 C ATOM 767 O LYS A 52 -4.226 -7.513 1.335 1.00 0.00 O ATOM 768 CB LYS A 52 -5.340 -6.171 -1.601 1.00 0.00 C ATOM 769 CG LYS A 52 -6.235 -4.970 -1.913 1.00 0.00 C ATOM 770 CD LYS A 52 -7.626 -5.425 -2.360 1.00 0.00 C ATOM 771 CE LYS A 52 -7.635 -5.779 -3.848 1.00 0.00 C ATOM 772 NZ LYS A 52 -6.980 -7.087 -4.074 1.00 0.00 N ATOM 0 H LYS A 52 -3.454 -4.572 -1.733 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.055 -5.399 0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.739 -6.418 -2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.957 -7.042 -1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.322 -4.337 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.778 -4.364 -2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.935 -6.291 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.351 -4.634 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.661 -5.812 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.119 -5.004 -4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.368 -7.526 -4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.956 -6.947 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.155 -7.708 -3.259 1.00 0.00 H new ATOM 785 N GLY A 53 -2.895 -7.740 -0.479 1.00 0.00 N ATOM 786 CA GLY A 53 -2.246 -8.944 0.011 1.00 0.00 C ATOM 787 C GLY A 53 -2.199 -8.959 1.540 1.00 0.00 C ATOM 788 O GLY A 53 -2.800 -9.825 2.174 1.00 0.00 O ATOM 0 H GLY A 53 -2.570 -7.421 -1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.782 -9.822 -0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.233 -9.003 -0.388 1.00 0.00 H new ATOM 792 N CYS A 54 -1.481 -7.990 2.088 1.00 0.00 N ATOM 793 CA CYS A 54 -1.349 -7.881 3.531 1.00 0.00 C ATOM 794 C CYS A 54 -2.747 -7.722 4.131 1.00 0.00 C ATOM 795 O CYS A 54 -3.112 -8.440 5.061 1.00 0.00 O ATOM 796 CB CYS A 54 -0.423 -6.729 3.928 1.00 0.00 C ATOM 797 SG CYS A 54 -0.074 -6.798 5.723 1.00 0.00 S ATOM 0 H CYS A 54 -0.984 -7.273 1.559 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.886 -8.785 3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.509 -6.790 3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.886 -5.775 3.675 1.00 0.00 H new ATOM 0 HG CYS A 54 0.714 -5.817 6.050 1.00 0.00 H new ATOM 802 N HIS A 55 -3.491 -6.778 3.574 1.00 0.00 N ATOM 803 CA HIS A 55 -4.842 -6.517 4.043 1.00 0.00 C ATOM 804 C HIS A 55 -5.592 -7.839 4.211 1.00 0.00 C ATOM 805 O HIS A 55 -5.865 -8.264 5.333 1.00 0.00 O ATOM 806 CB HIS A 55 -5.562 -5.542 3.109 1.00 0.00 C ATOM 807 CG HIS A 55 -4.989 -4.144 3.121 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.451 -3.138 2.289 1.00 0.00 N ATOM 809 CD2 HIS A 55 -3.990 -3.596 3.871 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.753 -2.039 2.536 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.848 -2.325 3.516 1.00 0.00 N ATOM 0 H HIS A 55 -3.185 -6.185 2.803 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.804 -6.034 5.020 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.521 -5.932 2.092 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.614 -5.495 3.390 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.201 -3.228 1.603 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.413 -4.109 4.626 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.879 -1.084 2.047 1.00 0.00 H new ATOM 819 N GLU A 56 -5.903 -8.455 3.080 1.00 0.00 N ATOM 820 CA GLU A 56 -6.616 -9.720 3.088 1.00 0.00 C ATOM 821 C GLU A 56 -5.877 -10.741 3.956 1.00 0.00 C ATOM 822 O GLU A 56 -6.468 -11.719 4.410 1.00 0.00 O ATOM 823 CB GLU A 56 -6.811 -10.249 1.666 1.00 0.00 C ATOM 824 CG GLU A 56 -5.629 -9.868 0.772 1.00 0.00 C ATOM 825 CD GLU A 56 -5.272 -11.010 -0.181 1.00 0.00 C ATOM 826 OE1 GLU A 56 -4.324 -11.765 0.083 1.00 0.00 O ATOM 827 OE2 GLU A 56 -6.019 -11.100 -1.229 1.00 0.00 O ATOM 0 H GLU A 56 -5.674 -8.101 2.151 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.604 -9.554 3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.919 -11.333 1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.733 -9.846 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.875 -8.975 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.766 -9.622 1.390 1.00 0.00 H new ATOM 835 N GLU A 57 -4.594 -10.478 4.159 1.00 0.00 N ATOM 836 CA GLU A 57 -3.768 -11.361 4.964 1.00 0.00 C ATOM 837 C GLU A 57 -4.309 -11.439 6.393 1.00 0.00 C ATOM 838 O GLU A 57 -4.550 -12.528 6.911 1.00 0.00 O ATOM 839 CB GLU A 57 -2.307 -10.904 4.956 1.00 0.00 C ATOM 840 CG GLU A 57 -1.362 -12.094 4.773 1.00 0.00 C ATOM 841 CD GLU A 57 -1.720 -12.892 3.518 1.00 0.00 C ATOM 842 OE1 GLU A 57 -2.385 -13.934 3.615 1.00 0.00 O ATOM 843 OE2 GLU A 57 -1.284 -12.392 2.412 1.00 0.00 O ATOM 0 H GLU A 57 -4.107 -9.666 3.780 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.805 -12.359 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.152 -10.184 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.077 -10.392 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.334 -11.739 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.415 -12.742 5.648 1.00 0.00 H new ATOM 851 N MET A 58 -4.484 -10.269 6.990 1.00 0.00 N ATOM 852 CA MET A 58 -4.993 -10.191 8.349 1.00 0.00 C ATOM 853 C MET A 58 -6.489 -9.871 8.357 1.00 0.00 C ATOM 854 O MET A 58 -7.081 -9.676 9.418 1.00 0.00 O ATOM 855 CB MET A 58 -4.235 -9.105 9.116 1.00 0.00 C ATOM 856 CG MET A 58 -2.733 -9.396 9.137 1.00 0.00 C ATOM 857 SD MET A 58 -2.200 -9.737 10.806 1.00 0.00 S ATOM 858 CE MET A 58 -1.854 -8.078 11.366 1.00 0.00 C ATOM 0 H MET A 58 -4.282 -9.367 6.558 1.00 0.00 H new ATOM 0 HA MET A 58 -4.845 -11.159 8.829 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.415 -8.135 8.653 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.612 -9.045 10.137 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.510 -10.248 8.494 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.183 -8.543 8.738 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.507 -8.108 12.399 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.082 -7.635 10.736 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.761 -7.477 11.305 1.00 0.00 H new ATOM 868 N LYS A 59 -7.059 -9.827 7.161 1.00 0.00 N ATOM 869 CA LYS A 59 -8.475 -9.535 7.017 1.00 0.00 C ATOM 870 C LYS A 59 -8.715 -8.050 7.295 1.00 0.00 C ATOM 871 O LYS A 59 -9.855 -7.588 7.275 1.00 0.00 O ATOM 872 CB LYS A 59 -9.307 -10.469 7.898 1.00 0.00 C ATOM 873 CG LYS A 59 -10.025 -11.524 7.054 1.00 0.00 C ATOM 874 CD LYS A 59 -11.040 -10.875 6.111 1.00 0.00 C ATOM 875 CE LYS A 59 -12.223 -11.809 5.852 1.00 0.00 C ATOM 876 NZ LYS A 59 -12.015 -12.575 4.603 1.00 0.00 N ATOM 0 H LYS A 59 -6.565 -9.989 6.283 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.802 -9.725 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.661 -10.959 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.038 -9.889 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.295 -12.090 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.532 -12.234 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.398 -9.941 6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.556 -10.625 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.343 -12.495 6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.143 -11.229 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.827 -13.204 4.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.923 -11.917 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.148 -13.143 4.685 1.00 0.00 H new ATOM 889 N LYS A 60 -7.623 -7.344 7.549 1.00 0.00 N ATOM 890 CA LYS A 60 -7.701 -5.920 7.831 1.00 0.00 C ATOM 891 C LYS A 60 -7.351 -5.134 6.566 1.00 0.00 C ATOM 892 O LYS A 60 -6.832 -5.698 5.604 1.00 0.00 O ATOM 893 CB LYS A 60 -6.830 -5.565 9.037 1.00 0.00 C ATOM 894 CG LYS A 60 -7.126 -6.490 10.220 1.00 0.00 C ATOM 895 CD LYS A 60 -8.333 -5.991 11.017 1.00 0.00 C ATOM 896 CE LYS A 60 -8.920 -7.109 11.881 1.00 0.00 C ATOM 897 NZ LYS A 60 -8.979 -6.692 13.299 1.00 0.00 N ATOM 0 H LYS A 60 -6.679 -7.731 7.565 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.718 -5.641 8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.777 -5.642 8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.009 -4.530 9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.317 -7.500 9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.253 -6.545 10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.035 -5.156 11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.095 -5.617 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.920 -7.362 11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.311 -8.008 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.380 -7.463 13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.020 -6.473 13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.579 -5.847 13.388 1.00 0.00 H new ATOM 910 N GLY A 61 -7.650 -3.844 6.608 1.00 0.00 N ATOM 911 CA GLY A 61 -7.373 -2.974 5.478 1.00 0.00 C ATOM 912 C GLY A 61 -8.399 -3.182 4.362 1.00 0.00 C ATOM 913 O GLY A 61 -9.030 -4.230 4.243 1.00 0.00 O ATOM 0 H GLY A 61 -8.082 -3.380 7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.389 -1.934 5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.371 -3.173 5.098 1.00 0.00 H new ATOM 917 N PRO A 62 -8.554 -2.145 3.536 1.00 0.00 N ATOM 918 CA PRO A 62 -9.467 -2.124 2.414 1.00 0.00 C ATOM 919 C PRO A 62 -9.063 -3.192 1.408 1.00 0.00 C ATOM 920 O PRO A 62 -7.928 -3.163 0.935 1.00 0.00 O ATOM 921 CB PRO A 62 -9.321 -0.726 1.817 1.00 0.00 C ATOM 922 CG PRO A 62 -8.007 -0.215 2.294 1.00 0.00 C ATOM 923 CD PRO A 62 -7.828 -0.898 3.648 1.00 0.00 C ATOM 0 HA PRO A 62 -10.498 -2.331 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.355 -0.761 0.728 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.134 -0.076 2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.202 -0.473 1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.009 0.871 2.390 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.774 -1.073 3.866 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.223 -0.282 4.456 1.00 0.00 H new ATOM 931 N THR A 63 -9.980 -4.098 1.104 1.00 0.00 N ATOM 932 CA THR A 63 -9.696 -5.162 0.155 1.00 0.00 C ATOM 933 C THR A 63 -10.656 -5.087 -1.033 1.00 0.00 C ATOM 934 O THR A 63 -10.469 -5.781 -2.032 1.00 0.00 O ATOM 935 CB THR A 63 -9.760 -6.494 0.905 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.130 -6.619 1.275 1.00 0.00 O ATOM 937 CG2 THR A 63 -9.016 -6.450 2.242 1.00 0.00 C ATOM 0 H THR A 63 -10.921 -4.118 1.498 1.00 0.00 H new ATOM 0 HA THR A 63 -8.697 -5.058 -0.268 1.00 0.00 H new ATOM 0 HB THR A 63 -9.339 -7.282 0.281 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.261 -7.457 1.765 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.093 -7.420 2.733 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.966 -6.214 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.458 -5.685 2.880 1.00 0.00 H new ATOM 945 N LYS A 64 -11.664 -4.239 -0.886 1.00 0.00 N ATOM 946 CA LYS A 64 -12.654 -4.065 -1.935 1.00 0.00 C ATOM 947 C LYS A 64 -12.275 -2.855 -2.792 1.00 0.00 C ATOM 948 O LYS A 64 -11.568 -1.961 -2.331 1.00 0.00 O ATOM 949 CB LYS A 64 -14.059 -3.979 -1.337 1.00 0.00 C ATOM 950 CG LYS A 64 -14.328 -5.156 -0.397 1.00 0.00 C ATOM 951 CD LYS A 64 -15.463 -6.034 -0.928 1.00 0.00 C ATOM 952 CE LYS A 64 -15.085 -7.515 -0.868 1.00 0.00 C ATOM 953 NZ LYS A 64 -16.147 -8.295 -0.193 1.00 0.00 N ATOM 0 H LYS A 64 -11.816 -3.665 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.666 -4.932 -2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.169 -3.041 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.799 -3.972 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.423 -5.753 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.585 -4.783 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.366 -5.861 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.693 -5.755 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.930 -7.898 -1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.143 -7.634 -0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.874 -9.298 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.276 -7.940 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.038 -8.196 -0.719 1.00 0.00 H new ATOM 966 N CYS A 65 -12.764 -2.866 -4.023 1.00 0.00 N ATOM 967 CA CYS A 65 -12.485 -1.781 -4.949 1.00 0.00 C ATOM 968 C CYS A 65 -13.241 -0.538 -4.473 1.00 0.00 C ATOM 969 O CYS A 65 -14.226 -0.648 -3.743 1.00 0.00 O ATOM 970 CB CYS A 65 -12.850 -2.155 -6.386 1.00 0.00 C ATOM 971 SG CYS A 65 -12.768 -3.945 -6.757 1.00 0.00 S ATOM 0 H CYS A 65 -13.352 -3.609 -4.401 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.415 -1.574 -4.959 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.860 -1.801 -6.593 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.181 -1.626 -7.065 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.098 -4.147 -7.998 1.00 0.00 H new ATOM 976 N GLY A 66 -12.753 0.614 -4.906 1.00 0.00 N ATOM 977 CA GLY A 66 -13.370 1.876 -4.534 1.00 0.00 C ATOM 978 C GLY A 66 -12.788 2.405 -3.222 1.00 0.00 C ATOM 979 O GLY A 66 -12.657 3.615 -3.040 1.00 0.00 O ATOM 0 H GLY A 66 -11.937 0.701 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.215 2.608 -5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.447 1.742 -4.430 1.00 0.00 H new ATOM 983 N GLU A 67 -12.453 1.474 -2.342 1.00 0.00 N ATOM 984 CA GLU A 67 -11.887 1.831 -1.052 1.00 0.00 C ATOM 985 C GLU A 67 -10.448 2.322 -1.222 1.00 0.00 C ATOM 986 O GLU A 67 -9.907 2.986 -0.339 1.00 0.00 O ATOM 987 CB GLU A 67 -11.954 0.653 -0.079 1.00 0.00 C ATOM 988 CG GLU A 67 -12.459 1.104 1.294 1.00 0.00 C ATOM 989 CD GLU A 67 -12.471 -0.062 2.284 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.041 0.097 3.436 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.950 -1.167 1.820 1.00 0.00 O ATOM 0 H GLU A 67 -12.563 0.472 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.479 2.642 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.615 -0.116 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.966 0.204 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.823 1.903 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.464 1.515 1.199 1.00 0.00 H new ATOM 999 N CYS A 68 -9.869 1.976 -2.362 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.503 2.373 -2.658 1.00 0.00 C ATOM 1001 C CYS A 68 -8.532 3.356 -3.830 1.00 0.00 C ATOM 1002 O CYS A 68 -7.922 4.422 -3.766 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.613 1.163 -2.950 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.486 0.861 -1.540 1.00 0.00 S ATOM 0 H CYS A 68 -10.321 1.425 -3.092 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.066 2.861 -1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.230 0.282 -3.129 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.035 1.337 -3.858 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.736 -0.170 -1.797 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.247 2.962 -4.874 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.363 3.795 -6.059 1.00 0.00 C ATOM 1011 C HIS A 69 -10.528 4.771 -5.887 1.00 0.00 C ATOM 1012 O HIS A 69 -11.688 4.394 -6.051 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.490 2.935 -7.317 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.335 1.987 -7.533 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.077 2.414 -7.920 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.261 0.630 -7.410 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.289 1.354 -8.024 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.024 0.249 -7.708 1.00 0.00 N ATOM 0 H HIS A 69 -9.752 2.077 -4.924 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.455 4.385 -6.184 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.413 2.359 -7.259 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.577 3.589 -8.185 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.803 3.381 -8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.071 -0.023 -7.120 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.247 1.363 -8.309 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.180 6.007 -5.560 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.183 7.040 -5.364 1.00 0.00 C ATOM 1028 C LYS A 70 -11.037 8.100 -6.458 1.00 0.00 C ATOM 1029 O LYS A 70 -10.012 8.776 -6.540 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.100 7.606 -3.945 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.541 6.565 -2.914 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.686 7.099 -2.051 1.00 0.00 C ATOM 1033 CE LYS A 70 -12.451 6.787 -0.572 1.00 0.00 C ATOM 1034 NZ LYS A 70 -12.661 5.346 -0.306 1.00 0.00 N ATOM 0 H LYS A 70 -9.217 6.316 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.185 6.620 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.078 7.922 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.730 8.492 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.859 5.655 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.697 6.297 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.778 8.176 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.627 6.655 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.437 7.071 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.129 7.379 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.585 5.208 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.637 4.820 -1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.909 4.996 0.321 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.077 8.213 -7.271 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.077 9.179 -8.356 1.00 0.00 C ATOM 1049 C LYS A 71 -12.460 10.555 -7.808 1.00 0.00 C ATOM 1050 O LYS A 71 -13.019 10.659 -6.717 1.00 0.00 O ATOM 1051 CB LYS A 71 -12.974 8.700 -9.500 1.00 0.00 C ATOM 1052 CG LYS A 71 -12.677 9.469 -10.789 1.00 0.00 C ATOM 1053 CD LYS A 71 -11.599 8.762 -11.613 1.00 0.00 C ATOM 1054 CE LYS A 71 -11.063 9.677 -12.715 1.00 0.00 C ATOM 1055 NZ LYS A 71 -9.598 9.517 -12.855 1.00 0.00 N ATOM 0 H LYS A 71 -12.925 7.651 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.079 9.273 -8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.820 7.634 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.021 8.833 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.589 9.562 -11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.350 10.480 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.781 8.454 -10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.011 7.856 -12.056 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.552 9.443 -13.660 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.301 10.715 -12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.250 10.145 -13.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.135 9.763 -11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.378 8.530 -13.099 1.00 0.00 H new