USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 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 10 ASN : amide:sc= -2.29 K(o=-6.3,f=-12!) USER MOD Set 1.2: A 47 HIS : no HD1:sc= -3.59! C(o=-6.3!,f=-5.8!) USER MOD Set 1.3: A 69 HIS : no HE2:sc= -0.406 K(o=-6.3,f=-15!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.386 K(o=0.44,f=-3.4!) USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.828 K(o=0.44,f=-3.7!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.985! C(o=-1.2!,f=-4.4!) USER MOD Set 3.2: A 31 HIS : no HD1:sc= -0.265 X(o=-1.2,f=-1.3) 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 14 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.37) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.98 K(o=-2,f=-5.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 7:sc= 0.0303 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.11) 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= -0.0431 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.126 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.101 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 3.954 11.330 4.702 1.00 0.00 N ATOM 12 CA ASP A 2 3.357 10.016 4.864 1.00 0.00 C ATOM 13 C ASP A 2 2.285 9.812 3.791 1.00 0.00 C ATOM 14 O ASP A 2 2.127 8.711 3.267 1.00 0.00 O ATOM 15 CB ASP A 2 2.688 9.879 6.233 1.00 0.00 C ATOM 16 CG ASP A 2 3.109 10.926 7.266 1.00 0.00 C ATOM 17 OD1 ASP A 2 2.316 11.800 7.649 1.00 0.00 O ATOM 18 OD2 ASP A 2 4.324 10.820 7.686 1.00 0.00 O ATOM 0 HA ASP A 2 4.149 9.273 4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.608 9.936 6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.909 8.889 6.631 1.00 0.00 H new ATOM 24 N ASP A 3 1.575 10.892 3.497 1.00 0.00 N ATOM 25 CA ASP A 3 0.523 10.846 2.497 1.00 0.00 C ATOM 26 C ASP A 3 1.151 10.740 1.106 1.00 0.00 C ATOM 27 O ASP A 3 1.870 11.640 0.675 1.00 0.00 O ATOM 28 CB ASP A 3 -0.329 12.116 2.534 1.00 0.00 C ATOM 29 CG ASP A 3 -0.258 12.904 3.844 1.00 0.00 C ATOM 30 OD1 ASP A 3 0.526 13.856 3.975 1.00 0.00 O ATOM 31 OD2 ASP A 3 -1.061 12.499 4.768 1.00 0.00 O ATOM 0 H ASP A 3 1.708 11.804 3.934 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.107 9.982 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.018 12.768 1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.368 11.844 2.347 1.00 0.00 H new ATOM 37 N ILE A 4 0.858 9.631 0.442 1.00 0.00 N ATOM 38 CA ILE A 4 1.385 9.395 -0.891 1.00 0.00 C ATOM 39 C ILE A 4 0.238 9.014 -1.829 1.00 0.00 C ATOM 40 O ILE A 4 -0.546 8.116 -1.523 1.00 0.00 O ATOM 41 CB ILE A 4 2.513 8.362 -0.846 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.630 8.810 0.097 1.00 0.00 C ATOM 43 CG2 ILE A 4 3.036 8.060 -2.252 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.795 7.818 0.079 1.00 0.00 C ATOM 0 H ILE A 4 0.262 8.886 0.803 1.00 0.00 H new ATOM 0 HA ILE A 4 1.833 10.305 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 4 2.109 7.432 -0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.985 9.798 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.240 8.900 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.837 7.323 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.225 7.666 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.419 8.976 -2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.575 8.161 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.442 6.837 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.198 7.749 -0.931 1.00 0.00 H new ATOM 56 N VAL A 5 0.176 9.714 -2.952 1.00 0.00 N ATOM 57 CA VAL A 5 -0.863 9.460 -3.936 1.00 0.00 C ATOM 58 C VAL A 5 -0.301 8.569 -5.045 1.00 0.00 C ATOM 59 O VAL A 5 0.671 8.932 -5.706 1.00 0.00 O ATOM 60 CB VAL A 5 -1.423 10.784 -4.459 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.452 10.545 -5.566 1.00 0.00 C ATOM 62 CG2 VAL A 5 -2.023 11.613 -3.322 1.00 0.00 C ATOM 0 H VAL A 5 0.828 10.457 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.698 8.926 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.597 11.352 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.834 11.502 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.980 10.014 -6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.276 9.948 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.414 12.549 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.831 11.054 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.252 11.828 -2.582 1.00 0.00 H new ATOM 72 N LEU A 6 -0.936 7.419 -5.215 1.00 0.00 N ATOM 73 CA LEU A 6 -0.512 6.473 -6.233 1.00 0.00 C ATOM 74 C LEU A 6 -1.392 6.637 -7.474 1.00 0.00 C ATOM 75 O LEU A 6 -2.517 6.142 -7.511 1.00 0.00 O ATOM 76 CB LEU A 6 -0.501 5.050 -5.671 1.00 0.00 C ATOM 77 CG LEU A 6 0.456 4.797 -4.505 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.052 3.544 -3.725 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.905 4.726 -4.991 1.00 0.00 C ATOM 0 H LEU A 6 -1.741 7.121 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 6 0.514 6.678 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.511 4.801 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.247 4.364 -6.479 1.00 0.00 H new ATOM 0 HG LEU A 6 0.387 5.640 -3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.749 3.387 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.955 3.671 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.074 2.679 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.565 4.545 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.008 3.914 -5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.176 5.668 -5.467 1.00 0.00 H new ATOM 91 N LYS A 7 -0.845 7.333 -8.460 1.00 0.00 N ATOM 92 CA LYS A 7 -1.566 7.569 -9.699 1.00 0.00 C ATOM 93 C LYS A 7 -2.053 6.233 -10.262 1.00 0.00 C ATOM 94 O LYS A 7 -1.322 5.244 -10.245 1.00 0.00 O ATOM 95 CB LYS A 7 -0.703 8.370 -10.676 1.00 0.00 C ATOM 96 CG LYS A 7 -0.413 9.770 -10.131 1.00 0.00 C ATOM 97 CD LYS A 7 1.092 10.047 -10.106 1.00 0.00 C ATOM 98 CE LYS A 7 1.703 9.635 -8.765 1.00 0.00 C ATOM 99 NZ LYS A 7 2.614 10.689 -8.265 1.00 0.00 N ATOM 0 H LYS A 7 0.089 7.741 -8.426 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.450 8.180 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.235 7.844 -10.854 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.212 8.448 -11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.914 10.516 -10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.821 9.864 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.579 9.502 -10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.273 11.107 -10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.911 9.455 -8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.249 8.699 -8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.020 10.394 -7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.379 10.841 -8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.083 11.574 -8.136 1.00 0.00 H new ATOM 112 N ALA A 8 -3.286 6.246 -10.748 1.00 0.00 N ATOM 113 CA ALA A 8 -3.880 5.048 -11.316 1.00 0.00 C ATOM 114 C ALA A 8 -4.821 5.441 -12.456 1.00 0.00 C ATOM 115 O ALA A 8 -5.527 6.444 -12.365 1.00 0.00 O ATOM 116 CB ALA A 8 -4.594 4.261 -10.215 1.00 0.00 C ATOM 0 H ALA A 8 -3.890 7.068 -10.760 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.110 4.399 -11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.040 3.362 -10.641 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.876 3.980 -9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.376 4.880 -9.774 1.00 0.00 H new ATOM 122 N LYS A 9 -4.802 4.629 -13.503 1.00 0.00 N ATOM 123 CA LYS A 9 -5.645 4.880 -14.660 1.00 0.00 C ATOM 124 C LYS A 9 -7.075 4.431 -14.350 1.00 0.00 C ATOM 125 O LYS A 9 -7.952 4.503 -15.210 1.00 0.00 O ATOM 126 CB LYS A 9 -5.051 4.224 -15.908 1.00 0.00 C ATOM 127 CG LYS A 9 -5.218 2.704 -15.861 1.00 0.00 C ATOM 128 CD LYS A 9 -5.903 2.188 -17.128 1.00 0.00 C ATOM 129 CE LYS A 9 -7.377 1.876 -16.865 1.00 0.00 C ATOM 130 NZ LYS A 9 -7.856 0.821 -17.787 1.00 0.00 N ATOM 0 H LYS A 9 -4.216 3.797 -13.574 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.686 5.947 -14.878 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.539 4.620 -16.799 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.993 4.475 -15.987 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.242 2.231 -15.752 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.806 2.426 -14.986 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.821 2.933 -17.919 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.395 1.291 -17.481 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.508 1.552 -15.833 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.975 2.779 -16.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.858 0.621 -17.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.749 1.144 -18.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.297 -0.044 -17.645 1.00 0.00 H new ATOM 143 N ASN A 10 -7.265 3.977 -13.120 1.00 0.00 N ATOM 144 CA ASN A 10 -8.573 3.516 -12.686 1.00 0.00 C ATOM 145 C ASN A 10 -8.885 4.103 -11.308 1.00 0.00 C ATOM 146 O ASN A 10 -9.555 3.467 -10.496 1.00 0.00 O ATOM 147 CB ASN A 10 -8.608 1.991 -12.570 1.00 0.00 C ATOM 148 CG ASN A 10 -7.856 1.518 -11.324 1.00 0.00 C ATOM 149 OD1 ASN A 10 -6.736 1.922 -11.054 1.00 0.00 O ATOM 150 ND2 ASN A 10 -8.530 0.643 -10.584 1.00 0.00 N ATOM 0 H ASN A 10 -6.535 3.918 -12.410 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.307 3.839 -13.425 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.642 1.650 -12.526 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.163 1.545 -13.459 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.113 0.267 -9.732 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.464 0.347 -10.868 1.00 0.00 H new ATOM 157 N GLY A 11 -8.383 5.309 -11.087 1.00 0.00 N ATOM 158 CA GLY A 11 -8.600 5.989 -9.821 1.00 0.00 C ATOM 159 C GLY A 11 -7.347 5.927 -8.944 1.00 0.00 C ATOM 160 O GLY A 11 -6.847 4.844 -8.646 1.00 0.00 O ATOM 0 H GLY A 11 -7.827 5.833 -11.763 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.869 7.029 -10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.438 5.530 -9.297 1.00 0.00 H new ATOM 164 N ASP A 12 -6.877 7.103 -8.556 1.00 0.00 N ATOM 165 CA ASP A 12 -5.693 7.196 -7.720 1.00 0.00 C ATOM 166 C ASP A 12 -5.961 6.500 -6.384 1.00 0.00 C ATOM 167 O ASP A 12 -7.113 6.344 -5.982 1.00 0.00 O ATOM 168 CB ASP A 12 -5.337 8.656 -7.429 1.00 0.00 C ATOM 169 CG ASP A 12 -6.325 9.394 -6.523 1.00 0.00 C ATOM 170 OD1 ASP A 12 -7.227 10.098 -7.002 1.00 0.00 O ATOM 171 OD2 ASP A 12 -6.140 9.221 -5.258 1.00 0.00 O ATOM 0 H ASP A 12 -7.295 7.999 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.868 6.722 -8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.350 8.689 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.265 9.192 -8.375 1.00 0.00 H new ATOM 177 N VAL A 13 -4.878 6.100 -5.734 1.00 0.00 N ATOM 178 CA VAL A 13 -4.983 5.423 -4.452 1.00 0.00 C ATOM 179 C VAL A 13 -4.261 6.249 -3.385 1.00 0.00 C ATOM 180 O VAL A 13 -3.086 6.578 -3.539 1.00 0.00 O ATOM 181 CB VAL A 13 -4.445 3.996 -4.568 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.593 3.244 -3.244 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.134 3.241 -5.707 1.00 0.00 C ATOM 0 H VAL A 13 -3.924 6.231 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.026 5.339 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.382 4.057 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.203 2.232 -3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.036 3.765 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.646 3.198 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.733 2.229 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.206 3.196 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.954 3.760 -6.649 1.00 0.00 H new ATOM 193 N LYS A 14 -4.995 6.559 -2.326 1.00 0.00 N ATOM 194 CA LYS A 14 -4.440 7.339 -1.233 1.00 0.00 C ATOM 195 C LYS A 14 -3.828 6.395 -0.197 1.00 0.00 C ATOM 196 O LYS A 14 -4.549 5.688 0.506 1.00 0.00 O ATOM 197 CB LYS A 14 -5.497 8.283 -0.657 1.00 0.00 C ATOM 198 CG LYS A 14 -4.849 9.392 0.174 1.00 0.00 C ATOM 199 CD LYS A 14 -4.264 8.833 1.473 1.00 0.00 C ATOM 200 CE LYS A 14 -4.665 9.696 2.671 1.00 0.00 C ATOM 201 NZ LYS A 14 -3.790 9.412 3.830 1.00 0.00 N ATOM 0 H LYS A 14 -5.969 6.284 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.636 7.981 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.077 8.723 -1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.194 7.719 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.062 9.873 -0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.589 10.158 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.613 7.811 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.177 8.791 1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.596 10.751 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.704 9.501 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.373 9.284 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.246 8.544 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.136 10.207 3.974 1.00 0.00 H new ATOM 214 N PHE A 15 -2.504 6.413 -0.134 1.00 0.00 N ATOM 215 CA PHE A 15 -1.788 5.567 0.804 1.00 0.00 C ATOM 216 C PHE A 15 -1.151 6.401 1.918 1.00 0.00 C ATOM 217 O PHE A 15 -0.360 7.311 1.681 1.00 0.00 O ATOM 218 CB PHE A 15 -0.683 4.861 0.016 1.00 0.00 C ATOM 219 CG PHE A 15 0.223 3.974 0.873 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.314 2.967 1.613 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.565 4.192 0.895 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.526 2.144 2.408 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.406 3.369 1.690 1.00 0.00 C ATOM 224 CZ PHE A 15 1.869 2.362 2.430 1.00 0.00 C ATOM 0 H PHE A 15 -1.909 7.001 -0.718 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.475 4.858 1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.140 4.251 -0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.071 5.612 -0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.380 2.794 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.992 4.992 0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.099 1.345 2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.472 3.543 1.707 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.508 1.736 3.035 1.00 0.00 H new ATOM 234 N PRO A 16 -1.519 6.064 3.156 1.00 0.00 N ATOM 235 CA PRO A 16 -1.040 6.716 4.356 1.00 0.00 C ATOM 236 C PRO A 16 0.263 6.070 4.803 1.00 0.00 C ATOM 237 O PRO A 16 0.215 5.047 5.484 1.00 0.00 O ATOM 238 CB PRO A 16 -2.143 6.496 5.389 1.00 0.00 C ATOM 239 CG PRO A 16 -2.687 5.118 4.974 1.00 0.00 C ATOM 240 CD PRO A 16 -2.447 4.999 3.471 1.00 0.00 C ATOM 0 HA PRO A 16 -0.835 7.776 4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.755 6.493 6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.909 7.270 5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.177 4.320 5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.748 5.033 5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.032 4.025 3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.377 5.107 2.913 1.00 0.00 H new ATOM 248 N HIS A 17 1.383 6.664 4.419 1.00 0.00 N ATOM 249 CA HIS A 17 2.681 6.127 4.791 1.00 0.00 C ATOM 250 C HIS A 17 3.021 6.550 6.221 1.00 0.00 C ATOM 251 O HIS A 17 4.117 7.042 6.483 1.00 0.00 O ATOM 252 CB HIS A 17 3.751 6.542 3.780 1.00 0.00 C ATOM 253 CG HIS A 17 5.101 5.909 4.019 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.977 6.356 4.993 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.715 4.859 3.402 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.066 5.603 4.954 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.902 4.676 3.967 1.00 0.00 N ATOM 0 H HIS A 17 1.419 7.512 3.854 1.00 0.00 H new ATOM 0 HA HIS A 17 2.647 5.038 4.770 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.411 6.280 2.778 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.860 7.626 3.806 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.812 7.133 5.632 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.305 4.275 2.591 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.932 5.705 5.592 1.00 0.00 H new ATOM 265 N LYS A 18 2.060 6.343 7.110 1.00 0.00 N ATOM 266 CA LYS A 18 2.243 6.696 8.507 1.00 0.00 C ATOM 267 C LYS A 18 1.643 5.600 9.389 1.00 0.00 C ATOM 268 O LYS A 18 2.369 4.884 10.077 1.00 0.00 O ATOM 269 CB LYS A 18 1.676 8.090 8.786 1.00 0.00 C ATOM 270 CG LYS A 18 1.245 8.224 10.248 1.00 0.00 C ATOM 271 CD LYS A 18 2.430 8.004 11.191 1.00 0.00 C ATOM 272 CE LYS A 18 1.996 8.122 12.653 1.00 0.00 C ATOM 273 NZ LYS A 18 3.157 7.947 13.554 1.00 0.00 N ATOM 0 H LYS A 18 1.152 5.935 6.889 1.00 0.00 H new ATOM 0 HA LYS A 18 3.304 6.754 8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.427 8.845 8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.823 8.277 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.820 9.214 10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.461 7.499 10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.862 7.019 11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.209 8.736 10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.538 9.096 12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.239 7.370 12.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.845 8.030 14.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.577 7.008 13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.867 8.680 13.352 1.00 0.00 H new ATOM 286 N ALA A 19 0.322 5.502 9.341 1.00 0.00 N ATOM 287 CA ALA A 19 -0.384 4.505 10.127 1.00 0.00 C ATOM 288 C ALA A 19 0.196 3.121 9.827 1.00 0.00 C ATOM 289 O ALA A 19 0.102 2.213 10.651 1.00 0.00 O ATOM 290 CB ALA A 19 -1.882 4.587 9.829 1.00 0.00 C ATOM 0 H ALA A 19 -0.278 6.097 8.770 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.253 4.693 11.193 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.412 3.839 10.419 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.250 5.580 10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.053 4.401 8.769 1.00 0.00 H new ATOM 296 N HIS A 20 0.781 3.004 8.644 1.00 0.00 N ATOM 297 CA HIS A 20 1.376 1.746 8.225 1.00 0.00 C ATOM 298 C HIS A 20 2.721 1.554 8.929 1.00 0.00 C ATOM 299 O HIS A 20 3.392 0.544 8.727 1.00 0.00 O ATOM 300 CB HIS A 20 1.490 1.681 6.701 1.00 0.00 C ATOM 301 CG HIS A 20 0.191 1.359 6.001 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.703 2.334 5.594 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.355 0.162 5.640 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.737 1.739 5.016 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.519 0.393 5.047 1.00 0.00 N ATOM 0 H HIS A 20 0.856 3.759 7.963 1.00 0.00 H new ATOM 0 HA HIS A 20 0.731 0.918 8.519 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.861 2.638 6.334 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.231 0.928 6.434 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.586 3.340 5.718 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.086 -0.809 5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.600 2.233 4.595 1.00 0.00 H new ATOM 313 N GLN A 21 3.074 2.541 9.740 1.00 0.00 N ATOM 314 CA GLN A 21 4.327 2.493 10.474 1.00 0.00 C ATOM 315 C GLN A 21 4.101 1.909 11.870 1.00 0.00 C ATOM 316 O GLN A 21 4.769 0.954 12.263 1.00 0.00 O ATOM 317 CB GLN A 21 4.967 3.880 10.557 1.00 0.00 C ATOM 318 CG GLN A 21 5.335 4.398 9.165 1.00 0.00 C ATOM 319 CD GLN A 21 5.633 5.898 9.199 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.089 6.648 9.993 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.525 6.293 8.295 1.00 0.00 N ATOM 0 H GLN A 21 2.515 3.378 9.905 1.00 0.00 H new ATOM 0 HA GLN A 21 5.017 1.843 9.936 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.277 4.575 11.037 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.860 3.836 11.180 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.206 3.859 8.791 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.517 4.202 8.472 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.943 5.613 7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.791 7.276 8.237 1.00 0.00 H new ATOM 330 N LYS A 22 3.157 2.508 12.582 1.00 0.00 N ATOM 331 CA LYS A 22 2.836 2.059 13.926 1.00 0.00 C ATOM 332 C LYS A 22 2.203 0.668 13.857 1.00 0.00 C ATOM 333 O LYS A 22 2.288 -0.105 14.810 1.00 0.00 O ATOM 334 CB LYS A 22 1.967 3.095 14.643 1.00 0.00 C ATOM 335 CG LYS A 22 2.786 4.331 15.019 1.00 0.00 C ATOM 336 CD LYS A 22 3.203 4.286 16.491 1.00 0.00 C ATOM 337 CE LYS A 22 2.787 5.566 17.218 1.00 0.00 C ATOM 338 NZ LYS A 22 3.571 5.733 18.462 1.00 0.00 N ATOM 0 H LYS A 22 2.605 3.300 12.253 1.00 0.00 H new ATOM 0 HA LYS A 22 3.743 1.968 14.524 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.137 3.386 14.000 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.535 2.654 15.541 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.673 4.390 14.388 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.200 5.231 14.831 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.746 3.423 16.976 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.283 4.157 16.563 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.939 6.427 16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.723 5.528 17.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.276 6.607 18.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.405 4.920 19.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.583 5.790 18.229 1.00 0.00 H new ATOM 351 N ALA A 23 1.583 0.391 12.719 1.00 0.00 N ATOM 352 CA ALA A 23 0.937 -0.894 12.513 1.00 0.00 C ATOM 353 C ALA A 23 1.981 -1.920 12.070 1.00 0.00 C ATOM 354 O ALA A 23 1.828 -3.115 12.319 1.00 0.00 O ATOM 355 CB ALA A 23 -0.196 -0.738 11.497 1.00 0.00 C ATOM 0 H ALA A 23 1.514 1.034 11.930 1.00 0.00 H new ATOM 0 HA ALA A 23 0.495 -1.255 13.442 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.681 -1.702 11.342 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.926 -0.021 11.873 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.210 -0.380 10.551 1.00 0.00 H new ATOM 361 N VAL A 24 3.020 -1.417 11.419 1.00 0.00 N ATOM 362 CA VAL A 24 4.089 -2.275 10.938 1.00 0.00 C ATOM 363 C VAL A 24 5.433 -1.575 11.149 1.00 0.00 C ATOM 364 O VAL A 24 6.156 -1.255 10.209 1.00 0.00 O ATOM 365 CB VAL A 24 3.837 -2.658 9.479 1.00 0.00 C ATOM 366 CG1 VAL A 24 4.928 -3.597 8.962 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.450 -3.282 9.307 1.00 0.00 C ATOM 0 H VAL A 24 3.144 -0.426 11.214 1.00 0.00 H new ATOM 0 HA VAL A 24 4.115 -3.206 11.504 1.00 0.00 H new ATOM 0 HB VAL A 24 3.870 -1.746 8.883 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.725 -3.854 7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.897 -3.102 9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.941 -4.506 9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.297 -3.545 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.376 -4.179 9.921 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.688 -2.567 9.617 1.00 0.00 H new ATOM 377 N PRO A 25 5.754 -1.341 12.424 1.00 0.00 N ATOM 378 CA PRO A 25 6.975 -0.694 12.852 1.00 0.00 C ATOM 379 C PRO A 25 8.143 -1.207 12.023 1.00 0.00 C ATOM 380 O PRO A 25 9.126 -0.484 11.869 1.00 0.00 O ATOM 381 CB PRO A 25 7.132 -1.086 14.320 1.00 0.00 C ATOM 382 CG PRO A 25 5.689 -1.202 14.778 1.00 0.00 C ATOM 383 CD PRO A 25 4.927 -1.705 13.554 1.00 0.00 C ATOM 0 HA PRO A 25 6.948 0.388 12.727 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.672 -2.026 14.435 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.679 -0.332 14.886 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.594 -1.895 15.614 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.303 -0.240 15.116 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.773 -2.783 13.600 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.941 -1.245 13.486 1.00 0.00 H new ATOM 391 N ASP A 26 8.020 -2.424 11.513 1.00 0.00 N ATOM 392 CA ASP A 26 9.079 -3.009 10.707 1.00 0.00 C ATOM 393 C ASP A 26 9.009 -2.437 9.290 1.00 0.00 C ATOM 394 O ASP A 26 8.046 -2.681 8.565 1.00 0.00 O ATOM 395 CB ASP A 26 8.924 -4.528 10.612 1.00 0.00 C ATOM 396 CG ASP A 26 10.017 -5.241 9.814 1.00 0.00 C ATOM 397 OD1 ASP A 26 10.850 -4.598 9.157 1.00 0.00 O ATOM 398 OD2 ASP A 26 9.992 -6.529 9.884 1.00 0.00 O ATOM 0 H ASP A 26 7.203 -3.021 11.642 1.00 0.00 H new ATOM 0 HA ASP A 26 10.032 -2.773 11.180 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.905 -4.940 11.621 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.959 -4.752 10.158 1.00 0.00 H new ATOM 404 N CYS A 27 10.044 -1.688 8.937 1.00 0.00 N ATOM 405 CA CYS A 27 10.112 -1.080 7.619 1.00 0.00 C ATOM 406 C CYS A 27 10.707 -2.102 6.648 1.00 0.00 C ATOM 407 O CYS A 27 10.591 -1.951 5.433 1.00 0.00 O ATOM 408 CB CYS A 27 10.914 0.223 7.638 1.00 0.00 C ATOM 409 SG CYS A 27 10.735 1.212 9.167 1.00 0.00 S ATOM 0 H CYS A 27 10.842 -1.489 9.541 1.00 0.00 H new ATOM 0 HA CYS A 27 9.109 -0.808 7.289 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.969 -0.014 7.497 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.608 0.834 6.789 1.00 0.00 H new ATOM 0 HG CYS A 27 10.045 0.540 10.040 1.00 0.00 H new ATOM 414 N LYS A 28 11.332 -3.121 7.221 1.00 0.00 N ATOM 415 CA LYS A 28 11.946 -4.168 6.422 1.00 0.00 C ATOM 416 C LYS A 28 10.855 -5.091 5.876 1.00 0.00 C ATOM 417 O LYS A 28 11.138 -5.997 5.093 1.00 0.00 O ATOM 418 CB LYS A 28 13.022 -4.896 7.229 1.00 0.00 C ATOM 419 CG LYS A 28 14.067 -3.914 7.762 1.00 0.00 C ATOM 420 CD LYS A 28 15.452 -4.562 7.815 1.00 0.00 C ATOM 421 CE LYS A 28 16.054 -4.454 9.218 1.00 0.00 C ATOM 422 NZ LYS A 28 17.505 -4.744 9.182 1.00 0.00 N ATOM 0 H LYS A 28 11.426 -3.243 8.229 1.00 0.00 H new ATOM 0 HA LYS A 28 12.462 -3.740 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.560 -5.428 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.507 -5.644 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.099 -3.030 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.780 -3.578 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.378 -5.611 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.111 -4.079 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.887 -3.453 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.554 -5.152 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.898 -4.667 10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.658 -5.708 8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.980 -4.062 8.557 1.00 0.00 H new ATOM 435 N LYS A 29 9.631 -4.831 6.311 1.00 0.00 N ATOM 436 CA LYS A 29 8.497 -5.628 5.876 1.00 0.00 C ATOM 437 C LYS A 29 8.252 -5.387 4.385 1.00 0.00 C ATOM 438 O LYS A 29 8.195 -6.333 3.601 1.00 0.00 O ATOM 439 CB LYS A 29 7.275 -5.346 6.753 1.00 0.00 C ATOM 440 CG LYS A 29 7.137 -6.399 7.855 1.00 0.00 C ATOM 441 CD LYS A 29 6.649 -7.731 7.281 1.00 0.00 C ATOM 442 CE LYS A 29 5.263 -8.087 7.825 1.00 0.00 C ATOM 443 NZ LYS A 29 5.336 -8.389 9.272 1.00 0.00 N ATOM 0 H LYS A 29 9.400 -4.079 6.960 1.00 0.00 H new ATOM 0 HA LYS A 29 8.709 -6.690 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.364 -4.356 7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.375 -5.338 6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.098 -6.542 8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.438 -6.048 8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.612 -7.671 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.357 -8.521 7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.575 -7.259 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.865 -8.948 7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.501 -8.941 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.197 -8.938 9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.361 -7.500 9.811 1.00 0.00 H new ATOM 456 N CYS A 30 8.113 -4.115 4.039 1.00 0.00 N ATOM 457 CA CYS A 30 7.875 -3.738 2.656 1.00 0.00 C ATOM 458 C CYS A 30 9.223 -3.420 2.007 1.00 0.00 C ATOM 459 O CYS A 30 9.558 -3.972 0.960 1.00 0.00 O ATOM 460 CB CYS A 30 6.899 -2.565 2.550 1.00 0.00 C ATOM 461 SG CYS A 30 5.481 -2.826 3.678 1.00 0.00 S ATOM 0 H CYS A 30 8.161 -3.333 4.692 1.00 0.00 H new ATOM 0 HA CYS A 30 7.404 -4.566 2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.408 -1.634 2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.545 -2.468 1.524 1.00 0.00 H new ATOM 0 HG CYS A 30 4.660 -1.823 3.582 1.00 0.00 H new ATOM 466 N HIS A 31 9.961 -2.530 2.655 1.00 0.00 N ATOM 467 CA HIS A 31 11.265 -2.131 2.153 1.00 0.00 C ATOM 468 C HIS A 31 12.258 -3.280 2.337 1.00 0.00 C ATOM 469 O HIS A 31 12.692 -3.558 3.454 1.00 0.00 O ATOM 470 CB HIS A 31 11.729 -0.834 2.818 1.00 0.00 C ATOM 471 CG HIS A 31 10.813 0.342 2.576 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.583 0.866 1.316 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.073 1.088 3.445 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.741 1.882 1.434 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.426 2.019 2.754 1.00 0.00 N ATOM 0 H HIS A 31 9.681 -2.074 3.523 1.00 0.00 H new ATOM 0 HA HIS A 31 11.200 -1.920 1.086 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.815 -0.999 3.892 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.726 -0.587 2.452 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.022 0.946 4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.369 2.495 0.626 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.797 2.721 3.145 1.00 0.00 H new ATOM 483 N GLU A 32 12.590 -3.917 1.223 1.00 0.00 N ATOM 484 CA GLU A 32 13.524 -5.030 1.247 1.00 0.00 C ATOM 485 C GLU A 32 14.964 -4.516 1.171 1.00 0.00 C ATOM 486 O GLU A 32 15.810 -4.907 1.973 1.00 0.00 O ATOM 487 CB GLU A 32 13.233 -6.015 0.114 1.00 0.00 C ATOM 488 CG GLU A 32 12.389 -7.190 0.613 1.00 0.00 C ATOM 489 CD GLU A 32 12.332 -8.306 -0.433 1.00 0.00 C ATOM 490 OE1 GLU A 32 13.345 -8.976 -0.680 1.00 0.00 O ATOM 491 OE2 GLU A 32 11.182 -8.467 -0.995 1.00 0.00 O ATOM 0 H GLU A 32 12.229 -3.683 0.298 1.00 0.00 H new ATOM 0 HA GLU A 32 13.398 -5.564 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.709 -5.503 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.171 -6.386 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.810 -7.577 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.380 -6.847 0.840 1.00 0.00 H new ATOM 499 N LYS A 33 15.197 -3.646 0.199 1.00 0.00 N ATOM 500 CA LYS A 33 16.519 -3.075 0.007 1.00 0.00 C ATOM 501 C LYS A 33 16.618 -1.758 0.780 1.00 0.00 C ATOM 502 O LYS A 33 17.343 -0.851 0.377 1.00 0.00 O ATOM 503 CB LYS A 33 16.832 -2.937 -1.485 1.00 0.00 C ATOM 504 CG LYS A 33 16.849 -4.305 -2.170 1.00 0.00 C ATOM 505 CD LYS A 33 18.050 -4.433 -3.108 1.00 0.00 C ATOM 506 CE LYS A 33 18.528 -5.884 -3.192 1.00 0.00 C ATOM 507 NZ LYS A 33 19.969 -5.976 -2.867 1.00 0.00 N ATOM 0 H LYS A 33 14.492 -3.323 -0.464 1.00 0.00 H new ATOM 0 HA LYS A 33 17.283 -3.740 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.087 -2.298 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.798 -2.450 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.886 -5.092 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.926 -4.445 -2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.779 -4.078 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.862 -3.799 -2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.954 -6.503 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.350 -6.274 -4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.276 -6.968 -2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.514 -5.402 -3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.130 -5.623 -1.902 1.00 0.00 H new ATOM 520 N GLY A 34 15.878 -1.697 1.878 1.00 0.00 N ATOM 521 CA GLY A 34 15.873 -0.506 2.711 1.00 0.00 C ATOM 522 C GLY A 34 14.842 0.508 2.213 1.00 0.00 C ATOM 523 O GLY A 34 14.248 0.364 1.146 1.00 0.00 O ATOM 0 H GLY A 34 15.278 -2.452 2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.650 -0.780 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.864 -0.053 2.709 1.00 0.00 H new ATOM 527 N PRO A 35 14.640 1.551 3.021 1.00 0.00 N ATOM 528 CA PRO A 35 13.713 2.628 2.747 1.00 0.00 C ATOM 529 C PRO A 35 14.013 3.224 1.379 1.00 0.00 C ATOM 530 O PRO A 35 15.186 3.355 1.032 1.00 0.00 O ATOM 531 CB PRO A 35 13.961 3.649 3.856 1.00 0.00 C ATOM 532 CG PRO A 35 15.371 3.266 4.467 1.00 0.00 C ATOM 533 CD PRO A 35 15.321 1.751 4.282 1.00 0.00 C ATOM 0 HA PRO A 35 12.674 2.300 2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.966 4.665 3.462 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.179 3.605 4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.200 3.727 3.930 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.468 3.558 5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.323 1.322 4.262 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.785 1.271 5.101 1.00 0.00 H new ATOM 541 N GLY A 36 12.969 3.568 0.639 1.00 0.00 N ATOM 542 CA GLY A 36 13.146 4.144 -0.683 1.00 0.00 C ATOM 543 C GLY A 36 12.084 3.625 -1.654 1.00 0.00 C ATOM 544 O GLY A 36 11.071 3.068 -1.232 1.00 0.00 O ATOM 0 H GLY A 36 11.998 3.459 0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.087 5.231 -0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.139 3.900 -1.060 1.00 0.00 H new ATOM 548 N LYS A 37 12.351 3.826 -2.936 1.00 0.00 N ATOM 549 CA LYS A 37 11.431 3.386 -3.970 1.00 0.00 C ATOM 550 C LYS A 37 11.499 1.862 -4.092 1.00 0.00 C ATOM 551 O LYS A 37 12.551 1.265 -3.871 1.00 0.00 O ATOM 552 CB LYS A 37 11.709 4.121 -5.283 1.00 0.00 C ATOM 553 CG LYS A 37 10.418 4.331 -6.077 1.00 0.00 C ATOM 554 CD LYS A 37 10.289 3.297 -7.198 1.00 0.00 C ATOM 555 CE LYS A 37 10.886 3.826 -8.503 1.00 0.00 C ATOM 556 NZ LYS A 37 10.640 2.874 -9.609 1.00 0.00 N ATOM 0 H LYS A 37 13.192 4.288 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 37 10.406 3.640 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.172 5.085 -5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.419 3.549 -5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.560 4.257 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.407 5.335 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.796 2.377 -6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.239 3.048 -7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.447 4.794 -8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.958 3.983 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.052 3.249 -10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.079 1.959 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.616 2.745 -9.734 1.00 0.00 H new ATOM 569 N ILE A 38 10.363 1.277 -4.444 1.00 0.00 N ATOM 570 CA ILE A 38 10.281 -0.165 -4.597 1.00 0.00 C ATOM 571 C ILE A 38 10.245 -0.514 -6.087 1.00 0.00 C ATOM 572 O ILE A 38 9.331 -0.104 -6.802 1.00 0.00 O ATOM 573 CB ILE A 38 9.095 -0.722 -3.806 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.173 -0.305 -2.336 1.00 0.00 C ATOM 575 CG2 ILE A 38 8.993 -2.240 -3.967 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.865 -0.620 -1.607 1.00 0.00 C ATOM 0 H ILE A 38 9.492 1.776 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 38 11.166 -0.643 -4.178 1.00 0.00 H new ATOM 0 HB ILE A 38 8.180 -0.293 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.999 -0.825 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.384 0.762 -2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.142 -2.610 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.857 -2.486 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.907 -2.707 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.947 -0.314 -0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.045 -0.080 -2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.670 -1.691 -1.656 1.00 0.00 H new ATOM 588 N GLU A 39 11.249 -1.267 -6.510 1.00 0.00 N ATOM 589 CA GLU A 39 11.343 -1.675 -7.902 1.00 0.00 C ATOM 590 C GLU A 39 10.502 -2.930 -8.145 1.00 0.00 C ATOM 591 O GLU A 39 10.539 -3.869 -7.352 1.00 0.00 O ATOM 592 CB GLU A 39 12.800 -1.904 -8.308 1.00 0.00 C ATOM 593 CG GLU A 39 13.502 -2.845 -7.326 1.00 0.00 C ATOM 594 CD GLU A 39 14.383 -2.061 -6.351 1.00 0.00 C ATOM 595 OE1 GLU A 39 15.494 -1.649 -6.713 1.00 0.00 O ATOM 596 OE2 GLU A 39 13.874 -1.885 -5.179 1.00 0.00 O ATOM 0 H GLU A 39 12.004 -1.605 -5.914 1.00 0.00 H new ATOM 0 HA GLU A 39 10.949 -0.871 -8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.839 -2.326 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.326 -0.950 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.759 -3.417 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.111 -3.562 -7.876 1.00 0.00 H new ATOM 604 N GLY A 40 9.764 -2.905 -9.245 1.00 0.00 N ATOM 605 CA GLY A 40 8.915 -4.029 -9.602 1.00 0.00 C ATOM 606 C GLY A 40 7.454 -3.747 -9.246 1.00 0.00 C ATOM 607 O GLY A 40 6.546 -4.152 -9.970 1.00 0.00 O ATOM 0 H GLY A 40 9.736 -2.124 -9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.001 -4.229 -10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.254 -4.925 -9.081 1.00 0.00 H new ATOM 611 N PHE A 41 7.273 -3.056 -8.130 1.00 0.00 N ATOM 612 CA PHE A 41 5.938 -2.717 -7.669 1.00 0.00 C ATOM 613 C PHE A 41 5.023 -2.370 -8.845 1.00 0.00 C ATOM 614 O PHE A 41 5.499 -2.029 -9.927 1.00 0.00 O ATOM 615 CB PHE A 41 6.076 -1.489 -6.766 1.00 0.00 C ATOM 616 CG PHE A 41 4.764 -1.044 -6.116 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.132 -1.861 -5.232 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.230 0.168 -6.423 1.00 0.00 C ATOM 619 CE1 PHE A 41 2.914 -1.449 -4.628 1.00 0.00 C ATOM 620 CE2 PHE A 41 3.012 0.581 -5.820 1.00 0.00 C ATOM 621 CZ PHE A 41 2.380 -0.236 -4.935 1.00 0.00 C ATOM 0 H PHE A 41 8.029 -2.722 -7.532 1.00 0.00 H new ATOM 0 HA PHE A 41 5.500 -3.564 -7.141 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.802 -1.706 -5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.478 -0.663 -7.353 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.556 -2.824 -4.989 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.732 0.817 -7.125 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.412 -2.098 -3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.588 1.544 -6.064 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.454 0.078 -4.476 1.00 0.00 H new ATOM 631 N GLY A 42 3.726 -2.469 -8.594 1.00 0.00 N ATOM 632 CA GLY A 42 2.740 -2.171 -9.619 1.00 0.00 C ATOM 633 C GLY A 42 1.362 -2.708 -9.228 1.00 0.00 C ATOM 634 O GLY A 42 1.076 -2.891 -8.045 1.00 0.00 O ATOM 0 H GLY A 42 3.335 -2.752 -7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.684 -1.093 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.051 -2.612 -10.566 1.00 0.00 H new ATOM 638 N LYS A 43 0.546 -2.947 -10.243 1.00 0.00 N ATOM 639 CA LYS A 43 -0.795 -3.461 -10.020 1.00 0.00 C ATOM 640 C LYS A 43 -0.708 -4.810 -9.305 1.00 0.00 C ATOM 641 O LYS A 43 -0.914 -4.890 -8.095 1.00 0.00 O ATOM 642 CB LYS A 43 -1.575 -3.512 -11.336 1.00 0.00 C ATOM 643 CG LYS A 43 -3.079 -3.627 -11.078 1.00 0.00 C ATOM 644 CD LYS A 43 -3.722 -4.638 -12.030 1.00 0.00 C ATOM 645 CE LYS A 43 -4.925 -4.024 -12.749 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.442 -4.953 -13.779 1.00 0.00 N ATOM 0 H LYS A 43 0.787 -2.794 -11.222 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.356 -2.791 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.370 -2.614 -11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.238 -4.362 -11.930 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.252 -3.932 -10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.549 -2.652 -11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.987 -4.972 -12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.038 -5.519 -11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.710 -3.797 -12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.636 -3.081 -13.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.258 -4.521 -14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.695 -5.149 -14.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.736 -5.843 -13.328 1.00 0.00 H new ATOM 659 N GLU A 44 -0.402 -5.838 -10.083 1.00 0.00 N ATOM 660 CA GLU A 44 -0.285 -7.180 -9.539 1.00 0.00 C ATOM 661 C GLU A 44 0.294 -7.130 -8.123 1.00 0.00 C ATOM 662 O GLU A 44 -0.107 -7.907 -7.258 1.00 0.00 O ATOM 663 CB GLU A 44 0.567 -8.068 -10.448 1.00 0.00 C ATOM 664 CG GLU A 44 -0.240 -8.551 -11.655 1.00 0.00 C ATOM 665 CD GLU A 44 -1.395 -7.594 -11.961 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.491 -7.748 -11.403 1.00 0.00 O ATOM 667 OE2 GLU A 44 -1.122 -6.664 -12.811 1.00 0.00 O ATOM 0 H GLU A 44 -0.232 -5.768 -11.086 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.282 -7.618 -9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.441 -7.513 -10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.934 -8.926 -9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.412 -8.630 -12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.632 -9.549 -11.459 1.00 0.00 H new ATOM 675 N MET A 45 1.227 -6.209 -7.932 1.00 0.00 N ATOM 676 CA MET A 45 1.864 -6.048 -6.636 1.00 0.00 C ATOM 677 C MET A 45 0.885 -5.474 -5.611 1.00 0.00 C ATOM 678 O MET A 45 0.647 -6.080 -4.567 1.00 0.00 O ATOM 679 CB MET A 45 3.068 -5.113 -6.772 1.00 0.00 C ATOM 680 CG MET A 45 4.217 -5.563 -5.869 1.00 0.00 C ATOM 681 SD MET A 45 5.190 -6.811 -6.695 1.00 0.00 S ATOM 682 CE MET A 45 6.563 -6.935 -5.561 1.00 0.00 C ATOM 0 H MET A 45 1.557 -5.567 -8.653 1.00 0.00 H new ATOM 0 HA MET A 45 2.191 -7.028 -6.288 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.402 -5.094 -7.809 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.774 -4.096 -6.513 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.846 -4.710 -5.614 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.822 -5.959 -4.933 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.272 -7.677 -5.928 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.059 -5.967 -5.482 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.198 -7.236 -4.579 1.00 0.00 H new ATOM 692 N ALA A 46 0.343 -4.311 -5.944 1.00 0.00 N ATOM 693 CA ALA A 46 -0.606 -3.649 -5.065 1.00 0.00 C ATOM 694 C ALA A 46 -1.714 -4.632 -4.684 1.00 0.00 C ATOM 695 O ALA A 46 -2.000 -4.824 -3.503 1.00 0.00 O ATOM 696 CB ALA A 46 -1.150 -2.395 -5.753 1.00 0.00 C ATOM 0 H ALA A 46 0.543 -3.811 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.118 -3.330 -4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.862 -1.898 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.327 -1.716 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.649 -2.676 -6.680 1.00 0.00 H new ATOM 702 N HIS A 47 -2.309 -5.229 -5.706 1.00 0.00 N ATOM 703 CA HIS A 47 -3.380 -6.188 -5.493 1.00 0.00 C ATOM 704 C HIS A 47 -2.809 -7.465 -4.873 1.00 0.00 C ATOM 705 O HIS A 47 -3.468 -8.113 -4.062 1.00 0.00 O ATOM 706 CB HIS A 47 -4.141 -6.449 -6.794 1.00 0.00 C ATOM 707 CG HIS A 47 -4.701 -5.204 -7.439 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.873 -5.080 -8.807 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.127 -4.030 -6.890 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.379 -3.882 -9.058 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.535 -3.232 -7.869 1.00 0.00 N ATOM 0 H HIS A 47 -2.070 -5.067 -6.684 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.106 -5.778 -4.791 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.474 -6.943 -7.500 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.959 -7.140 -6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.131 -3.790 -5.837 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.625 -3.489 -10.033 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.904 -2.288 -7.752 1.00 0.00 H new ATOM 719 N GLY A 48 -1.590 -7.788 -5.279 1.00 0.00 N ATOM 720 CA GLY A 48 -0.924 -8.976 -4.773 1.00 0.00 C ATOM 721 C GLY A 48 -0.445 -8.767 -3.335 1.00 0.00 C ATOM 722 O GLY A 48 -1.178 -8.230 -2.505 1.00 0.00 O ATOM 0 H GLY A 48 -1.046 -7.248 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.607 -9.825 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.075 -9.220 -5.411 1.00 0.00 H new ATOM 726 N LYS A 49 0.781 -9.200 -3.084 1.00 0.00 N ATOM 727 CA LYS A 49 1.366 -9.067 -1.760 1.00 0.00 C ATOM 728 C LYS A 49 2.004 -7.683 -1.627 1.00 0.00 C ATOM 729 O LYS A 49 3.070 -7.542 -1.030 1.00 0.00 O ATOM 730 CB LYS A 49 2.333 -10.220 -1.483 1.00 0.00 C ATOM 731 CG LYS A 49 3.589 -10.102 -2.349 1.00 0.00 C ATOM 732 CD LYS A 49 4.585 -11.217 -2.024 1.00 0.00 C ATOM 733 CE LYS A 49 6.008 -10.810 -2.412 1.00 0.00 C ATOM 734 NZ LYS A 49 6.815 -10.533 -1.203 1.00 0.00 N ATOM 0 H LYS A 49 1.386 -9.644 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 49 0.595 -9.138 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.612 -10.220 -0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.838 -11.170 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.314 -10.150 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.058 -9.132 -2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.546 -11.446 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.305 -12.126 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.474 -11.605 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.979 -9.925 -3.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.778 -10.258 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.378 -9.759 -0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.858 -11.387 -0.611 1.00 0.00 H new ATOM 747 N GLY A 50 1.324 -6.696 -2.192 1.00 0.00 N ATOM 748 CA GLY A 50 1.811 -5.328 -2.143 1.00 0.00 C ATOM 749 C GLY A 50 0.948 -4.471 -1.216 1.00 0.00 C ATOM 750 O GLY A 50 1.466 -3.788 -0.334 1.00 0.00 O ATOM 0 H GLY A 50 0.440 -6.817 -2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.844 -5.318 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.808 -4.901 -3.146 1.00 0.00 H new ATOM 754 N CYS A 51 -0.356 -4.535 -1.447 1.00 0.00 N ATOM 755 CA CYS A 51 -1.296 -3.773 -0.643 1.00 0.00 C ATOM 756 C CYS A 51 -2.348 -4.738 -0.092 1.00 0.00 C ATOM 757 O CYS A 51 -2.205 -5.252 1.016 1.00 0.00 O ATOM 758 CB CYS A 51 -1.930 -2.633 -1.443 1.00 0.00 C ATOM 759 SG CYS A 51 -0.747 -1.390 -2.076 1.00 0.00 S ATOM 0 H CYS A 51 -0.783 -5.103 -2.179 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.770 -3.299 0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.474 -3.058 -2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.662 -2.129 -0.812 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.391 -0.475 -2.738 1.00 0.00 H new ATOM 764 N LYS A 52 -3.383 -4.954 -0.891 1.00 0.00 N ATOM 765 CA LYS A 52 -4.459 -5.848 -0.498 1.00 0.00 C ATOM 766 C LYS A 52 -3.864 -7.103 0.144 1.00 0.00 C ATOM 767 O LYS A 52 -4.257 -7.487 1.245 1.00 0.00 O ATOM 768 CB LYS A 52 -5.374 -6.141 -1.688 1.00 0.00 C ATOM 769 CG LYS A 52 -6.302 -4.957 -1.970 1.00 0.00 C ATOM 770 CD LYS A 52 -7.703 -5.438 -2.353 1.00 0.00 C ATOM 771 CE LYS A 52 -7.766 -5.819 -3.834 1.00 0.00 C ATOM 772 NZ LYS A 52 -8.288 -7.194 -3.993 1.00 0.00 N ATOM 0 H LYS A 52 -3.499 -4.525 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.093 -5.375 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.771 -6.354 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.967 -7.032 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.361 -4.319 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.889 -4.350 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.976 -6.297 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.430 -4.654 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.405 -5.117 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.773 -5.747 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.324 -7.437 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.663 -7.862 -3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.244 -7.251 -3.589 1.00 0.00 H new ATOM 785 N GLY A 53 -2.927 -7.707 -0.571 1.00 0.00 N ATOM 786 CA GLY A 53 -2.274 -8.911 -0.085 1.00 0.00 C ATOM 787 C GLY A 53 -2.236 -8.935 1.444 1.00 0.00 C ATOM 788 O GLY A 53 -2.847 -9.799 2.071 1.00 0.00 O ATOM 0 H GLY A 53 -2.604 -7.385 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.803 -9.790 -0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.259 -8.962 -0.478 1.00 0.00 H new ATOM 792 N CYS A 54 -1.513 -7.975 2.002 1.00 0.00 N ATOM 793 CA CYS A 54 -1.387 -7.875 3.446 1.00 0.00 C ATOM 794 C CYS A 54 -2.787 -7.707 4.039 1.00 0.00 C ATOM 795 O CYS A 54 -3.164 -8.424 4.965 1.00 0.00 O ATOM 796 CB CYS A 54 -0.453 -6.734 3.855 1.00 0.00 C ATOM 797 SG CYS A 54 -0.215 -6.740 5.669 1.00 0.00 S ATOM 0 H CYS A 54 -1.008 -7.259 1.480 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.934 -8.785 3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.509 -6.843 3.353 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.872 -5.779 3.538 1.00 0.00 H new ATOM 0 HG CYS A 54 0.581 -5.769 6.005 1.00 0.00 H new ATOM 802 N HIS A 55 -3.521 -6.754 3.482 1.00 0.00 N ATOM 803 CA HIS A 55 -4.871 -6.483 3.944 1.00 0.00 C ATOM 804 C HIS A 55 -5.631 -7.800 4.113 1.00 0.00 C ATOM 805 O HIS A 55 -5.903 -8.225 5.235 1.00 0.00 O ATOM 806 CB HIS A 55 -5.581 -5.505 3.005 1.00 0.00 C ATOM 807 CG HIS A 55 -5.027 -4.101 3.048 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.524 -3.075 2.263 1.00 0.00 N ATOM 809 CD2 HIS A 55 -4.016 -3.564 3.789 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.835 -1.975 2.528 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.901 -2.280 3.474 1.00 0.00 N ATOM 0 H HIS A 55 -3.206 -6.160 2.715 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.834 -5.998 4.919 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.511 -5.881 1.984 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.640 -5.475 3.261 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.290 -3.153 1.594 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.411 -4.094 4.510 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.986 -1.007 2.075 1.00 0.00 H new ATOM 819 N GLU A 56 -5.951 -8.410 2.981 1.00 0.00 N ATOM 820 CA GLU A 56 -6.674 -9.671 2.990 1.00 0.00 C ATOM 821 C GLU A 56 -5.950 -10.692 3.869 1.00 0.00 C ATOM 822 O GLU A 56 -6.555 -11.658 4.331 1.00 0.00 O ATOM 823 CB GLU A 56 -6.861 -10.205 1.568 1.00 0.00 C ATOM 824 CG GLU A 56 -5.687 -9.802 0.673 1.00 0.00 C ATOM 825 CD GLU A 56 -5.352 -10.913 -0.324 1.00 0.00 C ATOM 826 OE1 GLU A 56 -4.577 -11.825 0.001 1.00 0.00 O ATOM 827 OE2 GLU A 56 -5.928 -10.807 -1.474 1.00 0.00 O ATOM 0 H GLU A 56 -5.723 -8.055 2.052 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.664 -9.497 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.949 -11.291 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.791 -9.819 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.933 -8.887 0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.814 -9.585 1.288 1.00 0.00 H new ATOM 835 N GLU A 57 -4.664 -10.444 4.073 1.00 0.00 N ATOM 836 CA GLU A 57 -3.851 -11.330 4.888 1.00 0.00 C ATOM 837 C GLU A 57 -4.411 -11.405 6.310 1.00 0.00 C ATOM 838 O GLU A 57 -4.646 -12.494 6.832 1.00 0.00 O ATOM 839 CB GLU A 57 -2.389 -10.879 4.897 1.00 0.00 C ATOM 840 CG GLU A 57 -1.445 -12.078 4.799 1.00 0.00 C ATOM 841 CD GLU A 57 -1.758 -12.924 3.563 1.00 0.00 C ATOM 842 OE1 GLU A 57 -1.645 -12.432 2.431 1.00 0.00 O ATOM 843 OE2 GLU A 57 -2.131 -14.134 3.810 1.00 0.00 O ATOM 0 H GLU A 57 -4.165 -9.642 3.688 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.886 -12.328 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.209 -10.201 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.182 -10.322 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.413 -11.730 4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.536 -12.691 5.696 1.00 0.00 H new ATOM 851 N MET A 58 -4.608 -10.234 6.897 1.00 0.00 N ATOM 852 CA MET A 58 -5.135 -10.153 8.249 1.00 0.00 C ATOM 853 C MET A 58 -6.624 -9.803 8.236 1.00 0.00 C ATOM 854 O MET A 58 -7.229 -9.609 9.290 1.00 0.00 O ATOM 855 CB MET A 58 -4.367 -9.089 9.034 1.00 0.00 C ATOM 856 CG MET A 58 -2.871 -9.409 9.073 1.00 0.00 C ATOM 857 SD MET A 58 -2.364 -9.751 10.750 1.00 0.00 S ATOM 858 CE MET A 58 -1.935 -8.104 11.287 1.00 0.00 C ATOM 0 H MET A 58 -4.412 -9.333 6.461 1.00 0.00 H new ATOM 0 HA MET A 58 -5.013 -11.126 8.725 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.522 -8.112 8.576 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.756 -9.030 10.050 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.658 -10.268 8.437 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.301 -8.569 8.676 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.595 -8.136 12.322 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.138 -7.711 10.655 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.809 -7.458 11.212 1.00 0.00 H new ATOM 868 N LYS A 59 -7.173 -9.733 7.032 1.00 0.00 N ATOM 869 CA LYS A 59 -8.580 -9.410 6.868 1.00 0.00 C ATOM 870 C LYS A 59 -8.815 -7.955 7.277 1.00 0.00 C ATOM 871 O LYS A 59 -9.958 -7.504 7.352 1.00 0.00 O ATOM 872 CB LYS A 59 -9.452 -10.411 7.629 1.00 0.00 C ATOM 873 CG LYS A 59 -9.793 -11.618 6.752 1.00 0.00 C ATOM 874 CD LYS A 59 -8.674 -12.661 6.795 1.00 0.00 C ATOM 875 CE LYS A 59 -9.192 -13.999 7.327 1.00 0.00 C ATOM 876 NZ LYS A 59 -8.144 -15.038 7.224 1.00 0.00 N ATOM 0 H LYS A 59 -6.668 -9.895 6.160 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.872 -9.499 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.931 -10.744 8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.370 -9.924 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.726 -12.067 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.952 -11.292 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.261 -12.798 5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.863 -12.303 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.502 -13.888 8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.073 -14.305 6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.512 -15.940 7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.868 -15.155 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.315 -14.751 7.782 1.00 0.00 H new ATOM 889 N LYS A 60 -7.716 -7.260 7.531 1.00 0.00 N ATOM 890 CA LYS A 60 -7.789 -5.865 7.931 1.00 0.00 C ATOM 891 C LYS A 60 -7.402 -4.978 6.745 1.00 0.00 C ATOM 892 O LYS A 60 -6.577 -5.366 5.919 1.00 0.00 O ATOM 893 CB LYS A 60 -6.943 -5.621 9.182 1.00 0.00 C ATOM 894 CG LYS A 60 -7.309 -6.609 10.292 1.00 0.00 C ATOM 895 CD LYS A 60 -7.860 -5.877 11.517 1.00 0.00 C ATOM 896 CE LYS A 60 -9.311 -5.447 11.292 1.00 0.00 C ATOM 897 NZ LYS A 60 -10.242 -6.495 11.765 1.00 0.00 N ATOM 0 H LYS A 60 -6.770 -7.637 7.468 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.810 -5.601 8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.886 -5.720 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.094 -4.601 9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.051 -7.318 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.429 -7.187 10.574 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.801 -6.526 12.390 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.246 -5.002 11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.506 -4.514 11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.479 -5.254 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.222 -6.187 11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.067 -7.377 11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.093 -6.659 12.781 1.00 0.00 H new ATOM 910 N GLY A 61 -8.016 -3.806 6.699 1.00 0.00 N ATOM 911 CA GLY A 61 -7.747 -2.861 5.628 1.00 0.00 C ATOM 912 C GLY A 61 -8.719 -3.060 4.463 1.00 0.00 C ATOM 913 O GLY A 61 -9.399 -4.077 4.348 1.00 0.00 O ATOM 0 H GLY A 61 -8.700 -3.488 7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.832 -1.843 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.723 -2.986 5.277 1.00 0.00 H new ATOM 917 N PRO A 62 -8.768 -2.051 3.591 1.00 0.00 N ATOM 918 CA PRO A 62 -9.614 -2.029 2.417 1.00 0.00 C ATOM 919 C PRO A 62 -9.167 -3.111 1.444 1.00 0.00 C ATOM 920 O PRO A 62 -8.010 -3.095 1.029 1.00 0.00 O ATOM 921 CB PRO A 62 -9.415 -0.638 1.818 1.00 0.00 C ATOM 922 CG PRO A 62 -8.098 -0.176 2.326 1.00 0.00 C ATOM 923 CD PRO A 62 -7.982 -0.841 3.696 1.00 0.00 C ATOM 0 HA PRO A 62 -10.662 -2.221 2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.426 -0.674 0.729 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.213 0.039 2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.286 -0.478 1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.058 0.910 2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.943 -1.065 3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.362 -0.191 4.484 1.00 0.00 H new ATOM 931 N THR A 63 -10.074 -4.015 1.105 1.00 0.00 N ATOM 932 CA THR A 63 -9.750 -5.092 0.185 1.00 0.00 C ATOM 933 C THR A 63 -10.686 -5.060 -1.025 1.00 0.00 C ATOM 934 O THR A 63 -10.480 -5.788 -1.994 1.00 0.00 O ATOM 935 CB THR A 63 -9.803 -6.410 0.960 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.161 -6.509 1.382 1.00 0.00 O ATOM 937 CG2 THR A 63 -9.010 -6.352 2.267 1.00 0.00 C ATOM 0 H THR A 63 -11.033 -4.024 1.451 1.00 0.00 H new ATOM 0 HA THR A 63 -8.744 -4.977 -0.219 1.00 0.00 H new ATOM 0 HB THR A 63 -9.415 -7.215 0.336 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.286 -7.337 1.891 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.080 -7.312 2.778 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.965 -6.133 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.419 -5.570 2.906 1.00 0.00 H new ATOM 945 N LYS A 64 -11.697 -4.208 -0.928 1.00 0.00 N ATOM 946 CA LYS A 64 -12.666 -4.072 -2.002 1.00 0.00 C ATOM 947 C LYS A 64 -12.305 -2.856 -2.858 1.00 0.00 C ATOM 948 O LYS A 64 -11.615 -1.949 -2.394 1.00 0.00 O ATOM 949 CB LYS A 64 -14.087 -4.027 -1.438 1.00 0.00 C ATOM 950 CG LYS A 64 -14.333 -5.192 -0.477 1.00 0.00 C ATOM 951 CD LYS A 64 -15.530 -6.031 -0.928 1.00 0.00 C ATOM 952 CE LYS A 64 -15.085 -7.169 -1.850 1.00 0.00 C ATOM 953 NZ LYS A 64 -14.669 -8.347 -1.056 1.00 0.00 N ATOM 0 H LYS A 64 -11.866 -3.606 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.635 -4.943 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.246 -3.082 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.808 -4.066 -2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.443 -5.820 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.511 -4.808 0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.040 -6.442 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.248 -5.397 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.901 -7.443 -2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.258 -6.835 -2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.370 -9.110 -1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.876 -8.085 -0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.468 -8.675 -0.477 1.00 0.00 H new ATOM 966 N CYS A 65 -12.788 -2.876 -4.091 1.00 0.00 N ATOM 967 CA CYS A 65 -12.524 -1.786 -5.016 1.00 0.00 C ATOM 968 C CYS A 65 -13.285 -0.551 -4.531 1.00 0.00 C ATOM 969 O CYS A 65 -14.255 -0.668 -3.783 1.00 0.00 O ATOM 970 CB CYS A 65 -12.898 -2.160 -6.452 1.00 0.00 C ATOM 971 SG CYS A 65 -12.812 -3.949 -6.826 1.00 0.00 S ATOM 0 H CYS A 65 -13.361 -3.629 -4.472 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.456 -1.570 -5.033 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.911 -1.810 -6.652 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.236 -1.628 -7.135 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.150 -4.150 -8.065 1.00 0.00 H new ATOM 976 N GLY A 66 -12.818 0.606 -4.978 1.00 0.00 N ATOM 977 CA GLY A 66 -13.442 1.862 -4.599 1.00 0.00 C ATOM 978 C GLY A 66 -12.866 2.385 -3.281 1.00 0.00 C ATOM 979 O GLY A 66 -12.735 3.594 -3.094 1.00 0.00 O ATOM 0 H GLY A 66 -12.014 0.700 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.288 2.601 -5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.518 1.722 -4.499 1.00 0.00 H new ATOM 983 N GLU A 67 -12.538 1.449 -2.403 1.00 0.00 N ATOM 984 CA GLU A 67 -11.979 1.801 -1.109 1.00 0.00 C ATOM 985 C GLU A 67 -10.540 2.297 -1.269 1.00 0.00 C ATOM 986 O GLU A 67 -10.006 2.960 -0.381 1.00 0.00 O ATOM 987 CB GLU A 67 -12.046 0.617 -0.142 1.00 0.00 C ATOM 988 CG GLU A 67 -12.556 1.058 1.231 1.00 0.00 C ATOM 989 CD GLU A 67 -12.559 -0.113 2.216 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.078 0.029 3.350 1.00 0.00 O ATOM 991 OE2 GLU A 67 -13.087 -1.202 1.768 1.00 0.00 O ATOM 0 H GLU A 67 -12.649 0.448 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.576 2.608 -0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.703 -0.152 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.057 0.170 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.927 1.860 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.564 1.461 1.136 1.00 0.00 H new ATOM 999 N CYS A 68 -9.954 1.958 -2.408 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.588 2.361 -2.695 1.00 0.00 C ATOM 1001 C CYS A 68 -8.615 3.354 -3.859 1.00 0.00 C ATOM 1002 O CYS A 68 -8.004 4.419 -3.785 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.694 1.156 -2.994 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.564 0.851 -1.587 1.00 0.00 S ATOM 0 H CYS A 68 -10.400 1.409 -3.143 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.156 2.842 -1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.308 0.274 -3.176 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.118 1.336 -3.901 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.811 -0.175 -1.850 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.330 2.969 -4.906 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.445 3.812 -6.084 1.00 0.00 C ATOM 1011 C HIS A 69 -10.613 4.785 -5.907 1.00 0.00 C ATOM 1012 O HIS A 69 -11.773 4.399 -6.042 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.568 2.963 -7.351 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.408 2.022 -7.573 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.152 2.457 -7.959 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.327 0.665 -7.460 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.359 1.401 -8.070 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.090 0.291 -7.761 1.00 0.00 N ATOM 0 H HIS A 69 -9.835 2.085 -4.963 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.538 4.405 -6.201 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.489 2.382 -7.299 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.656 3.625 -8.213 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.882 3.426 -8.129 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.134 0.006 -7.174 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.317 1.416 -8.355 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.265 6.028 -5.608 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.270 7.059 -5.411 1.00 0.00 C ATOM 1028 C LYS A 70 -11.160 8.093 -6.534 1.00 0.00 C ATOM 1029 O LYS A 70 -10.143 8.774 -6.658 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.154 7.659 -4.009 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.789 6.739 -2.964 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.917 7.453 -2.217 1.00 0.00 C ATOM 1033 CE LYS A 70 -12.853 7.157 -0.717 1.00 0.00 C ATOM 1034 NZ LYS A 70 -12.951 8.411 0.063 1.00 0.00 N ATOM 0 H LYS A 70 -9.302 6.344 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.271 6.631 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.104 7.822 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.642 8.633 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.179 5.845 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.030 6.410 -2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.845 8.528 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.881 7.133 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.664 6.484 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.919 6.647 -0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.906 8.192 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.163 9.040 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.853 8.883 -0.150 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.222 8.178 -7.322 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.257 9.118 -8.430 1.00 0.00 C ATOM 1049 C LYS A 71 -12.652 10.501 -7.908 1.00 0.00 C ATOM 1050 O LYS A 71 -13.309 10.614 -6.874 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.168 8.598 -9.544 1.00 0.00 C ATOM 1052 CG LYS A 71 -12.562 8.874 -10.922 1.00 0.00 C ATOM 1053 CD LYS A 71 -13.586 9.532 -11.849 1.00 0.00 C ATOM 1054 CE LYS A 71 -12.921 10.581 -12.743 1.00 0.00 C ATOM 1055 NZ LYS A 71 -13.785 10.898 -13.902 1.00 0.00 N ATOM 0 H LYS A 71 -13.064 7.612 -7.215 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.268 9.217 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.325 7.527 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.146 9.074 -9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.692 9.522 -10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.213 7.940 -11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.064 8.772 -12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.372 10.000 -11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.727 11.487 -12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.956 10.212 -13.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.318 11.611 -14.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.949 10.035 -14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.695 11.271 -13.565 1.00 0.00 H new