USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 476 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= -0.0555 X(o=0.068,f=0.068) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.123 K(o=0.068,f=-1.7) USER MOD Set 2.1: A 20 HIS :FLIP no HD1:sc= -3.57! C(o=-8.6!,f=-8.2!) USER MOD Set 2.2: A 55 HIS : no HE2:sc= -4.63! C(o=-8.2!,f=-8.6!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -3.61! C(o=-7.8!,f=-8.7!) USER MOD Set 3.2: A 21 GLN : amide:sc= -4.22! C(o=-7.8!,f=-15!) USER MOD Set 3.3: A 31 HIS : no HD1:sc= 0 X(o=-7.8,f=-7.8) 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= -0.225 K(o=-0.22,f=-4.7!) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0765) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.056 USER MOD Single : A 33 LYS NZ :NH3+ -149:sc= -0.0255 (180deg=-0.433) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.19 (180deg=-1.29!) 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 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= 0.00146 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= -1.19 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 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 2.349 2.566 -1.123 1.00 1.00 N ATOM 12 CA ASP A 2 1.914 3.464 -2.179 1.00 1.00 C ATOM 13 C ASP A 2 0.385 3.516 -2.200 1.00 1.00 C ATOM 14 O ASP A 2 -0.200 4.581 -2.395 1.00 1.00 O ATOM 15 CB ASP A 2 2.389 2.975 -3.549 1.00 1.00 C ATOM 16 CG ASP A 2 3.817 2.428 -3.582 1.00 1.00 C ATOM 17 OD1 ASP A 2 4.725 2.977 -2.939 1.00 1.00 O ATOM 18 OD2 ASP A 2 3.984 1.379 -4.314 1.00 1.00 O ATOM 0 HA ASP A 2 2.338 4.448 -1.981 1.00 1.00 H new ATOM 0 HB2 ASP A 2 1.710 2.196 -3.895 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.316 3.800 -4.258 1.00 1.00 H new ATOM 24 N ASP A 3 -0.218 2.355 -1.994 1.00 1.00 N ATOM 25 CA ASP A 3 -1.667 2.256 -1.988 1.00 1.00 C ATOM 26 C ASP A 3 -2.124 1.614 -0.675 1.00 1.00 C ATOM 27 O ASP A 3 -1.544 0.626 -0.228 1.00 1.00 O ATOM 28 CB ASP A 3 -2.166 1.379 -3.139 1.00 1.00 C ATOM 29 CG ASP A 3 -3.534 0.734 -2.915 1.00 1.00 C ATOM 30 OD1 ASP A 3 -4.466 1.374 -2.405 1.00 1.00 O ATOM 31 OD2 ASP A 3 -3.626 -0.495 -3.294 1.00 1.00 O ATOM 0 H ASP A 3 0.271 1.475 -1.830 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.073 3.261 -2.098 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.211 1.985 -4.044 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -1.435 0.591 -3.319 1.00 1.00 H new ATOM 37 N ILE A 4 -3.158 2.205 -0.093 1.00 1.00 N ATOM 38 CA ILE A 4 -3.697 1.704 1.159 1.00 1.00 C ATOM 39 C ILE A 4 -5.191 1.418 0.987 1.00 1.00 C ATOM 40 O ILE A 4 -5.986 2.339 0.809 1.00 1.00 O ATOM 41 CB ILE A 4 -3.385 2.671 2.302 1.00 1.00 C ATOM 42 CG1 ILE A 4 -1.876 2.870 2.455 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.036 2.207 3.607 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.525 3.351 3.865 1.00 1.00 C ATOM 0 H ILE A 4 -3.636 3.025 -0.466 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.219 0.762 1.430 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.815 3.641 2.055 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.359 1.933 2.248 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.525 3.596 1.722 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.798 2.912 4.403 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.117 2.158 3.477 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.657 1.220 3.872 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.446 3.484 3.946 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.024 4.300 4.060 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.855 2.611 4.594 1.00 1.00 H new ATOM 51 N VAL A 5 -5.526 0.138 1.047 1.00 1.00 N ATOM 52 CA VAL A 5 -6.910 -0.281 0.900 1.00 1.00 C ATOM 53 C VAL A 5 -7.555 -0.387 2.283 1.00 1.00 C ATOM 54 O VAL A 5 -7.025 -1.055 3.170 1.00 1.00 O ATOM 55 CB VAL A 5 -6.980 -1.587 0.105 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.431 -2.027 -0.100 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.253 -1.453 -1.234 1.00 1.00 C ATOM 0 H VAL A 5 -4.863 -0.623 1.195 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.475 0.459 0.333 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.475 -2.360 0.684 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.452 -2.957 -0.668 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.904 -2.182 0.869 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -8.971 -1.255 -0.648 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.318 -2.395 -1.779 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.716 -0.661 -1.822 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.206 -1.208 -1.057 1.00 1.00 H new ATOM 63 N LEU A 6 -8.691 0.281 2.424 1.00 1.00 N ATOM 64 CA LEU A 6 -9.415 0.269 3.684 1.00 1.00 C ATOM 65 C LEU A 6 -10.632 -0.650 3.560 1.00 1.00 C ATOM 66 O LEU A 6 -11.652 -0.260 2.992 1.00 1.00 O ATOM 67 CB LEU A 6 -9.761 1.696 4.116 1.00 1.00 C ATOM 68 CG LEU A 6 -8.612 2.705 4.082 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.141 4.134 3.958 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.698 2.535 5.299 1.00 1.00 C ATOM 0 H LEU A 6 -9.128 0.834 1.686 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.790 -0.137 4.479 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.561 2.065 3.474 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.157 1.661 5.131 1.00 1.00 H new ATOM 0 HG LEU A 6 -8.009 2.507 3.196 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.304 4.831 3.936 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.717 4.230 3.038 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.780 4.361 4.812 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.889 3.264 5.251 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.274 2.691 6.211 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.280 1.528 5.302 1.00 1.00 H new ATOM 78 N LYS A 7 -10.485 -1.850 4.101 1.00 1.00 N ATOM 79 CA LYS A 7 -11.560 -2.827 4.057 1.00 1.00 C ATOM 80 C LYS A 7 -12.785 -2.262 4.779 1.00 1.00 C ATOM 81 O LYS A 7 -12.701 -1.879 5.945 1.00 1.00 O ATOM 82 CB LYS A 7 -11.085 -4.172 4.611 1.00 1.00 C ATOM 83 CG LYS A 7 -10.391 -4.997 3.526 1.00 1.00 C ATOM 84 CD LYS A 7 -11.006 -6.393 3.421 1.00 1.00 C ATOM 85 CE LYS A 7 -11.032 -6.874 1.969 1.00 1.00 C ATOM 86 NZ LYS A 7 -10.682 -8.310 1.892 1.00 1.00 N ATOM 0 H LYS A 7 -9.638 -2.168 4.572 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.858 -3.021 3.026 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.399 -4.005 5.441 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.935 -4.727 5.007 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -10.474 -4.486 2.567 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.328 -5.080 3.752 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.433 -7.093 4.029 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -12.020 -6.378 3.821 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -12.022 -6.712 1.544 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -10.330 -6.290 1.374 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -10.704 -8.620 0.900 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -9.728 -8.456 2.279 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -11.368 -8.864 2.443 1.00 1.00 H new ATOM 99 N ALA A 8 -13.895 -2.229 4.057 1.00 1.00 N ATOM 100 CA ALA A 8 -15.136 -1.718 4.614 1.00 1.00 C ATOM 101 C ALA A 8 -16.281 -2.669 4.258 1.00 1.00 C ATOM 102 O ALA A 8 -16.446 -3.037 3.096 1.00 1.00 O ATOM 103 CB ALA A 8 -15.379 -0.296 4.102 1.00 1.00 C ATOM 0 H ALA A 8 -13.961 -2.548 3.090 1.00 1.00 H new ATOM 0 HA ALA A 8 -15.076 -1.668 5.701 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.310 0.087 4.520 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.553 0.347 4.407 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.447 -0.308 3.014 1.00 1.00 H new ATOM 109 N LYS A 9 -17.040 -3.039 5.278 1.00 1.00 N ATOM 110 CA LYS A 9 -18.163 -3.939 5.087 1.00 1.00 C ATOM 111 C LYS A 9 -19.132 -3.331 4.071 1.00 1.00 C ATOM 112 O LYS A 9 -19.880 -4.052 3.412 1.00 1.00 O ATOM 113 CB LYS A 9 -18.814 -4.277 6.429 1.00 1.00 C ATOM 114 CG LYS A 9 -18.229 -5.565 7.013 1.00 1.00 C ATOM 115 CD LYS A 9 -17.478 -5.285 8.317 1.00 1.00 C ATOM 116 CE LYS A 9 -18.165 -5.965 9.503 1.00 1.00 C ATOM 117 NZ LYS A 9 -19.015 -4.998 10.233 1.00 1.00 N ATOM 0 H LYS A 9 -16.899 -2.731 6.240 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.822 -4.889 4.675 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.662 -3.455 7.128 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.890 -4.389 6.297 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -19.030 -6.281 7.197 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -17.553 -6.022 6.290 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -16.452 -5.642 8.233 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -17.429 -4.210 8.489 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -18.773 -6.798 9.150 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -17.415 -6.380 10.176 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -19.474 -5.475 11.035 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -18.427 -4.216 10.586 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -19.742 -4.622 9.592 1.00 1.00 H new ATOM 130 N ASN A 10 -19.088 -2.010 3.976 1.00 1.00 N ATOM 131 CA ASN A 10 -19.952 -1.297 3.051 1.00 1.00 C ATOM 132 C ASN A 10 -19.106 -0.711 1.917 1.00 1.00 C ATOM 133 O ASN A 10 -19.095 0.501 1.710 1.00 1.00 O ATOM 134 CB ASN A 10 -20.672 -0.142 3.749 1.00 1.00 C ATOM 135 CG ASN A 10 -21.622 -0.661 4.830 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.488 -1.765 5.333 1.00 1.00 O ATOM 137 ND2 ASN A 10 -22.586 0.193 5.159 1.00 1.00 N ATOM 0 H ASN A 10 -18.467 -1.415 4.525 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.689 -2.002 2.667 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -19.940 0.531 4.196 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -21.232 0.438 3.016 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -23.271 -0.060 5.871 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -22.641 1.102 4.699 1.00 1.00 H new ATOM 143 N GLY A 11 -18.419 -1.599 1.215 1.00 1.00 N ATOM 144 CA GLY A 11 -17.573 -1.186 0.108 1.00 1.00 C ATOM 145 C GLY A 11 -16.214 -0.697 0.611 1.00 1.00 C ATOM 146 O GLY A 11 -16.138 0.022 1.606 1.00 1.00 O ATOM 0 H GLY A 11 -18.431 -2.604 1.391 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.432 -2.021 -0.578 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -18.065 -0.392 -0.454 1.00 1.00 H new ATOM 150 N ASP A 12 -15.174 -1.107 -0.100 1.00 1.00 N ATOM 151 CA ASP A 12 -13.820 -0.719 0.262 1.00 1.00 C ATOM 152 C ASP A 12 -13.562 0.713 -0.209 1.00 1.00 C ATOM 153 O ASP A 12 -14.398 1.309 -0.886 1.00 1.00 O ATOM 154 CB ASP A 12 -12.789 -1.630 -0.407 1.00 1.00 C ATOM 155 CG ASP A 12 -11.464 -1.769 0.345 1.00 1.00 C ATOM 156 OD1 ASP A 12 -11.157 -2.830 0.908 1.00 1.00 O ATOM 157 OD2 ASP A 12 -10.721 -0.714 0.339 1.00 1.00 O ATOM 0 H ASP A 12 -15.241 -1.704 -0.925 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.724 -0.800 1.345 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -13.226 -2.621 -0.528 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -12.584 -1.248 -1.407 1.00 1.00 H new ATOM 163 N VAL A 13 -12.399 1.226 0.169 1.00 1.00 N ATOM 164 CA VAL A 13 -12.020 2.577 -0.206 1.00 1.00 C ATOM 165 C VAL A 13 -10.577 2.574 -0.715 1.00 1.00 C ATOM 166 O VAL A 13 -9.725 1.873 -0.171 1.00 1.00 O ATOM 167 CB VAL A 13 -12.236 3.528 0.973 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.532 4.865 0.735 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.728 3.733 1.244 1.00 1.00 C ATOM 0 H VAL A 13 -11.708 0.730 0.731 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.651 2.939 -1.018 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.794 3.071 1.859 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.701 5.522 1.588 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.462 4.696 0.614 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -11.930 5.330 -0.167 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.855 4.413 2.087 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.203 4.158 0.360 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -14.190 2.774 1.479 1.00 1.00 H new ATOM 175 N LYS A 14 -10.348 3.367 -1.752 1.00 1.00 N ATOM 176 CA LYS A 14 -9.022 3.465 -2.339 1.00 1.00 C ATOM 177 C LYS A 14 -8.357 4.762 -1.875 1.00 1.00 C ATOM 178 O LYS A 14 -8.946 5.837 -1.979 1.00 1.00 O ATOM 179 CB LYS A 14 -9.099 3.324 -3.861 1.00 1.00 C ATOM 180 CG LYS A 14 -8.774 1.893 -4.296 1.00 1.00 C ATOM 181 CD LYS A 14 -7.443 1.428 -3.702 1.00 1.00 C ATOM 182 CE LYS A 14 -6.624 0.650 -4.734 1.00 1.00 C ATOM 183 NZ LYS A 14 -6.074 1.566 -5.757 1.00 1.00 N ATOM 0 H LYS A 14 -11.057 3.947 -2.200 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.392 2.644 -1.996 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.097 3.595 -4.205 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -8.401 4.018 -4.330 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -9.572 1.222 -3.978 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -8.729 1.841 -5.384 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -6.874 2.291 -3.356 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.629 0.799 -2.831 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -5.811 0.120 -4.237 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -7.251 -0.103 -5.211 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -5.316 1.085 -6.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -6.829 1.844 -6.416 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -5.690 2.414 -5.293 1.00 1.00 H new ATOM 196 N PHE A 15 -7.140 4.620 -1.373 1.00 1.00 N ATOM 197 CA PHE A 15 -6.388 5.767 -0.893 1.00 1.00 C ATOM 198 C PHE A 15 -4.896 5.607 -1.187 1.00 1.00 C ATOM 199 O PHE A 15 -4.206 4.761 -0.626 1.00 1.00 O ATOM 200 CB PHE A 15 -6.593 5.833 0.623 1.00 1.00 C ATOM 201 CG PHE A 15 -6.122 7.143 1.257 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.602 8.330 0.802 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.222 7.118 2.277 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.164 9.546 1.392 1.00 1.00 C ATOM 205 CE2 PHE A 15 -4.785 8.334 2.866 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.265 9.522 2.411 1.00 1.00 C ATOM 0 H PHE A 15 -6.655 3.727 -1.288 1.00 1.00 H new ATOM 0 HA PHE A 15 -6.733 6.673 -1.391 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -7.652 5.695 0.843 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.060 5.004 1.088 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.316 8.349 -0.008 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -4.840 6.174 2.638 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.546 10.490 1.031 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.071 8.315 3.676 1.00 1.00 H new ATOM 0 HZ PHE A 15 -4.932 10.446 2.859 1.00 1.00 H new ATOM 216 N PRO A 16 -4.407 6.455 -2.097 1.00 1.00 N ATOM 217 CA PRO A 16 -3.025 6.483 -2.526 1.00 1.00 C ATOM 218 C PRO A 16 -2.202 7.304 -1.543 1.00 1.00 C ATOM 219 O PRO A 16 -2.029 8.502 -1.759 1.00 1.00 O ATOM 220 CB PRO A 16 -3.056 7.146 -3.901 1.00 1.00 C ATOM 221 CG PRO A 16 -4.222 8.116 -3.762 1.00 1.00 C ATOM 222 CD PRO A 16 -5.190 7.464 -2.777 1.00 1.00 C ATOM 0 HA PRO A 16 -2.574 5.492 -2.569 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.122 7.661 -4.126 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.221 6.422 -4.699 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -3.883 9.085 -3.394 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -4.702 8.291 -4.725 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -5.589 8.195 -2.073 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.041 7.021 -3.294 1.00 1.00 H new ATOM 230 N HIS A 17 -1.712 6.655 -0.486 1.00 1.00 N ATOM 231 CA HIS A 17 -0.908 7.309 0.541 1.00 1.00 C ATOM 232 C HIS A 17 0.177 8.177 -0.123 1.00 1.00 C ATOM 233 O HIS A 17 0.276 9.369 0.163 1.00 1.00 O ATOM 234 CB HIS A 17 -0.363 6.240 1.500 1.00 1.00 C ATOM 235 CG HIS A 17 0.268 6.735 2.781 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.590 6.872 2.925 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.289 7.123 3.975 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.846 7.327 4.162 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.721 7.500 4.853 1.00 1.00 N ATOM 0 H HIS A 17 -1.863 5.660 -0.320 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.507 7.993 1.143 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.181 5.568 1.761 1.00 1.00 H new ATOM 0 HB3 HIS A 17 0.377 5.647 0.963 1.00 1.00 H new ATOM 0 HD1 HIS A 17 2.289 6.665 2.212 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.346 7.134 4.197 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.835 7.527 4.546 1.00 1.00 H new ATOM 247 N LYS A 18 0.956 7.546 -0.990 1.00 1.00 N ATOM 248 CA LYS A 18 2.019 8.247 -1.689 1.00 1.00 C ATOM 249 C LYS A 18 1.489 9.586 -2.205 1.00 1.00 C ATOM 250 O LYS A 18 2.212 10.580 -2.220 1.00 1.00 O ATOM 251 CB LYS A 18 2.618 7.360 -2.782 1.00 1.00 C ATOM 252 CG LYS A 18 3.820 8.039 -3.442 1.00 1.00 C ATOM 253 CD LYS A 18 4.235 7.300 -4.716 1.00 1.00 C ATOM 254 CE LYS A 18 4.464 8.281 -5.868 1.00 1.00 C ATOM 255 NZ LYS A 18 3.510 8.019 -6.969 1.00 1.00 N ATOM 0 H LYS A 18 0.872 6.557 -1.224 1.00 1.00 H new ATOM 0 HA LYS A 18 2.840 8.471 -1.007 1.00 1.00 H new ATOM 0 HB2 LYS A 18 2.925 6.406 -2.353 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.860 7.142 -3.535 1.00 1.00 H new ATOM 0 HG2 LYS A 18 3.572 9.073 -3.681 1.00 1.00 H new ATOM 0 HG3 LYS A 18 4.656 8.065 -2.744 1.00 1.00 H new ATOM 0 HD2 LYS A 18 5.146 6.732 -4.531 1.00 1.00 H new ATOM 0 HD3 LYS A 18 3.463 6.582 -4.993 1.00 1.00 H new ATOM 0 HE2 LYS A 18 4.345 9.304 -5.511 1.00 1.00 H new ATOM 0 HE3 LYS A 18 5.486 8.188 -6.235 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 3.679 8.693 -7.743 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 3.643 7.049 -7.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 2.537 8.130 -6.619 1.00 1.00 H new ATOM 268 N ALA A 19 0.229 9.568 -2.616 1.00 1.00 N ATOM 269 CA ALA A 19 -0.406 10.768 -3.132 1.00 1.00 C ATOM 270 C ALA A 19 -0.642 11.749 -1.982 1.00 1.00 C ATOM 271 O ALA A 19 -0.338 12.936 -2.094 1.00 1.00 O ATOM 272 CB ALA A 19 -1.704 10.389 -3.851 1.00 1.00 C ATOM 0 H ALA A 19 -0.368 8.741 -2.602 1.00 1.00 H new ATOM 0 HA ALA A 19 0.238 11.262 -3.860 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.181 11.289 -4.239 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.479 9.713 -4.676 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.377 9.894 -3.151 1.00 1.00 H new ATOM 278 N HIS A 20 -1.189 11.216 -0.889 1.00 1.00 N ATOM 279 CA HIS A 20 -1.488 11.995 0.308 1.00 1.00 C ATOM 280 C HIS A 20 -0.235 12.083 1.198 1.00 1.00 C ATOM 281 O HIS A 20 -0.348 12.278 2.407 1.00 1.00 O ATOM 282 CB HIS A 20 -2.716 11.388 1.002 1.00 1.00 C ATOM 283 CG HIS A 20 -4.070 11.824 0.493 1.00 1.00 C ATOM 284 ND1 HIS A 20 -5.155 12.359 1.145 1.00 1.00 N flip ATOM 285 CD2 HIS A 20 -4.417 11.735 -0.795 1.00 1.00 C flip ATOM 286 CE1 HIS A 20 -6.172 12.593 0.228 1.00 1.00 C flip ATOM 287 NE2 HIS A 20 -5.670 12.196 -0.939 1.00 1.00 N flip ATOM 0 H HIS A 20 -1.437 10.230 -0.811 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.747 13.024 0.060 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.654 10.303 0.916 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.659 11.627 2.064 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -3.792 11.355 -1.589 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -7.152 13.005 0.419 1.00 1.00 H new ATOM 0 HE2 HIS A 20 -6.171 12.237 -1.826 1.00 1.00 H new ATOM 295 N GLN A 21 0.921 11.936 0.566 1.00 1.00 N ATOM 296 CA GLN A 21 2.181 11.997 1.287 1.00 1.00 C ATOM 297 C GLN A 21 3.014 13.184 0.799 1.00 1.00 C ATOM 298 O GLN A 21 4.190 13.305 1.142 1.00 1.00 O ATOM 299 CB GLN A 21 2.958 10.687 1.146 1.00 1.00 C ATOM 300 CG GLN A 21 3.942 10.506 2.304 1.00 1.00 C ATOM 301 CD GLN A 21 4.461 9.068 2.362 1.00 1.00 C ATOM 302 OE1 GLN A 21 3.735 8.129 2.647 1.00 1.00 O ATOM 303 NE2 GLN A 21 5.754 8.949 2.076 1.00 1.00 N ATOM 0 H GLN A 21 1.011 11.775 -0.437 1.00 1.00 H new ATOM 0 HA GLN A 21 1.965 12.140 2.346 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.262 9.848 1.121 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.499 10.681 0.200 1.00 1.00 H new ATOM 0 HG2 GLN A 21 4.779 11.194 2.186 1.00 1.00 H new ATOM 0 HG3 GLN A 21 3.453 10.758 3.245 1.00 1.00 H new ATOM 0 HE21 GLN A 21 6.304 9.777 1.846 1.00 1.00 H new ATOM 0 HE22 GLN A 21 6.196 8.030 2.087 1.00 1.00 H new ATOM 311 N LYS A 22 2.373 14.030 0.006 1.00 1.00 N ATOM 312 CA LYS A 22 3.039 15.204 -0.532 1.00 1.00 C ATOM 313 C LYS A 22 1.992 16.256 -0.902 1.00 1.00 C ATOM 314 O LYS A 22 2.236 17.105 -1.759 1.00 1.00 O ATOM 315 CB LYS A 22 3.956 14.813 -1.693 1.00 1.00 C ATOM 316 CG LYS A 22 4.812 16.000 -2.140 1.00 1.00 C ATOM 317 CD LYS A 22 6.299 15.715 -1.926 1.00 1.00 C ATOM 318 CE LYS A 22 7.039 16.974 -1.469 1.00 1.00 C ATOM 319 NZ LYS A 22 8.495 16.721 -1.393 1.00 1.00 N ATOM 0 H LYS A 22 1.399 13.926 -0.277 1.00 1.00 H new ATOM 0 HA LYS A 22 3.688 15.652 0.220 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.601 13.989 -1.390 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.356 14.457 -2.531 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.626 16.211 -3.193 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.525 16.891 -1.581 1.00 1.00 H new ATOM 0 HD2 LYS A 22 6.419 14.928 -1.181 1.00 1.00 H new ATOM 0 HD3 LYS A 22 6.739 15.346 -2.853 1.00 1.00 H new ATOM 0 HE2 LYS A 22 6.842 17.791 -2.163 1.00 1.00 H new ATOM 0 HE3 LYS A 22 6.667 17.288 -0.494 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 8.982 17.586 -1.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 8.679 15.956 -0.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 8.849 16.444 -2.331 1.00 1.00 H new ATOM 332 N ALA A 23 0.849 16.166 -0.239 1.00 1.00 N ATOM 333 CA ALA A 23 -0.236 17.100 -0.487 1.00 1.00 C ATOM 334 C ALA A 23 -0.764 17.628 0.848 1.00 1.00 C ATOM 335 O ALA A 23 -1.902 18.087 0.931 1.00 1.00 O ATOM 336 CB ALA A 23 -1.324 16.410 -1.312 1.00 1.00 C ATOM 0 H ALA A 23 0.650 15.460 0.470 1.00 1.00 H new ATOM 0 HA ALA A 23 0.118 17.955 -1.063 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.138 17.110 -1.498 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -0.905 16.079 -2.262 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.705 15.548 -0.764 1.00 1.00 H new ATOM 391 N LYS A 28 1.715 15.832 9.597 1.00 1.00 N ATOM 392 CA LYS A 28 1.524 15.529 11.005 1.00 1.00 C ATOM 393 C LYS A 28 0.037 15.634 11.349 1.00 1.00 C ATOM 394 O LYS A 28 -0.424 15.033 12.318 1.00 1.00 O ATOM 395 CB LYS A 28 2.419 16.418 11.870 1.00 1.00 C ATOM 396 CG LYS A 28 1.583 17.382 12.714 1.00 1.00 C ATOM 397 CD LYS A 28 2.478 18.263 13.588 1.00 1.00 C ATOM 398 CE LYS A 28 1.990 18.273 15.038 1.00 1.00 C ATOM 399 NZ LYS A 28 3.135 18.366 15.970 1.00 1.00 N ATOM 0 HA LYS A 28 1.829 14.504 11.218 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.033 15.797 12.522 1.00 1.00 H new ATOM 0 HB3 LYS A 28 3.100 16.983 11.234 1.00 1.00 H new ATOM 0 HG2 LYS A 28 0.975 18.009 12.062 1.00 1.00 H new ATOM 0 HG3 LYS A 28 0.896 16.817 13.344 1.00 1.00 H new ATOM 0 HD2 LYS A 28 3.504 17.897 13.548 1.00 1.00 H new ATOM 0 HD3 LYS A 28 2.487 19.280 13.196 1.00 1.00 H new ATOM 0 HE2 LYS A 28 1.316 19.115 15.195 1.00 1.00 H new ATOM 0 HE3 LYS A 28 1.420 17.367 15.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 2.786 18.372 16.950 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 3.763 17.549 15.831 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 3.662 19.243 15.786 1.00 1.00 H new ATOM 412 N LYS A 29 -0.673 16.402 10.535 1.00 1.00 N ATOM 413 CA LYS A 29 -2.098 16.592 10.741 1.00 1.00 C ATOM 414 C LYS A 29 -2.728 15.271 11.185 1.00 1.00 C ATOM 415 O LYS A 29 -3.382 15.208 12.224 1.00 1.00 O ATOM 416 CB LYS A 29 -2.745 17.193 9.491 1.00 1.00 C ATOM 417 CG LYS A 29 -4.116 17.789 9.814 1.00 1.00 C ATOM 418 CD LYS A 29 -4.013 19.296 10.062 1.00 1.00 C ATOM 419 CE LYS A 29 -4.044 20.071 8.743 1.00 1.00 C ATOM 420 NZ LYS A 29 -3.759 21.505 8.979 1.00 1.00 N ATOM 0 H LYS A 29 -0.288 16.899 9.732 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.273 17.312 11.540 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.097 17.966 9.078 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.850 16.423 8.726 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.803 17.598 8.989 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -4.531 17.299 10.695 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -4.836 19.621 10.698 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -3.090 19.518 10.597 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -3.309 19.656 8.053 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -5.021 19.961 8.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -3.784 22.017 8.074 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -4.476 21.900 9.620 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -2.817 21.606 9.408 1.00 1.00 H new ATOM 433 N CYS A 30 -2.507 14.246 10.374 1.00 1.00 N ATOM 434 CA CYS A 30 -3.044 12.929 10.670 1.00 1.00 C ATOM 435 C CYS A 30 -2.154 12.274 11.728 1.00 1.00 C ATOM 436 O CYS A 30 -2.630 11.854 12.780 1.00 1.00 O ATOM 437 CB CYS A 30 -3.160 12.069 9.410 1.00 1.00 C ATOM 438 SG CYS A 30 -3.581 13.120 7.971 1.00 1.00 S ATOM 0 H CYS A 30 -1.964 14.301 9.513 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.058 13.026 11.059 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -2.220 11.548 9.228 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -3.926 11.306 9.550 1.00 1.00 H new ATOM 0 HG CYS A 30 -3.675 12.380 6.906 1.00 1.00 H new ATOM 443 N HIS A 31 -0.861 12.203 11.411 1.00 1.00 N ATOM 444 CA HIS A 31 0.140 11.612 12.293 1.00 1.00 C ATOM 445 C HIS A 31 0.631 12.666 13.303 1.00 1.00 C ATOM 446 O HIS A 31 1.833 12.903 13.414 1.00 1.00 O ATOM 447 CB HIS A 31 1.253 10.991 11.436 1.00 1.00 C ATOM 448 CG HIS A 31 0.827 9.985 10.392 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.009 8.977 10.663 1.00 1.00 N ATOM 450 CD2 HIS A 31 1.150 9.866 9.062 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.198 8.259 9.545 1.00 1.00 C ATOM 452 NE2 HIS A 31 0.494 8.764 8.527 1.00 1.00 N ATOM 0 H HIS A 31 -0.480 12.555 10.533 1.00 1.00 H new ATOM 0 HA HIS A 31 -0.282 10.804 12.891 1.00 1.00 H new ATOM 0 HB2 HIS A 31 1.785 11.798 10.933 1.00 1.00 H new ATOM 0 HB3 HIS A 31 1.966 10.507 12.104 1.00 1.00 H new ATOM 0 HD2 HIS A 31 1.810 10.525 8.518 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -0.829 7.385 9.480 1.00 1.00 H new ATOM 0 HE2 HIS A 31 0.534 8.419 7.568 1.00 1.00 H new ATOM 460 N GLU A 32 -0.320 13.263 14.006 1.00 1.00 N ATOM 461 CA GLU A 32 0.005 14.277 14.994 1.00 1.00 C ATOM 462 C GLU A 32 1.029 13.735 15.993 1.00 1.00 C ATOM 463 O GLU A 32 2.063 14.359 16.229 1.00 1.00 O ATOM 464 CB GLU A 32 -1.255 14.768 15.711 1.00 1.00 C ATOM 465 CG GLU A 32 -1.865 15.969 14.986 1.00 1.00 C ATOM 466 CD GLU A 32 -3.219 16.345 15.593 1.00 1.00 C ATOM 467 OE1 GLU A 32 -3.789 15.563 16.368 1.00 1.00 O ATOM 468 OE2 GLU A 32 -3.676 17.496 15.233 1.00 1.00 O ATOM 0 H GLU A 32 -1.316 13.064 13.911 1.00 1.00 H new ATOM 0 HA GLU A 32 0.446 15.131 14.479 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -1.986 13.961 15.764 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.010 15.044 16.737 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -1.186 16.819 15.048 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -1.988 15.736 13.928 1.00 1.00 H new ATOM 476 N LYS A 33 0.705 12.579 16.555 1.00 1.00 N ATOM 477 CA LYS A 33 1.585 11.946 17.524 1.00 1.00 C ATOM 478 C LYS A 33 2.788 11.344 16.796 1.00 1.00 C ATOM 479 O LYS A 33 3.917 11.796 16.977 1.00 1.00 O ATOM 480 CB LYS A 33 0.809 10.936 18.371 1.00 1.00 C ATOM 481 CG LYS A 33 0.236 11.598 19.625 1.00 1.00 C ATOM 482 CD LYS A 33 1.327 11.819 20.675 1.00 1.00 C ATOM 483 CE LYS A 33 1.816 10.487 21.246 1.00 1.00 C ATOM 484 NZ LYS A 33 3.156 10.154 20.711 1.00 1.00 N ATOM 0 H LYS A 33 -0.154 12.065 16.358 1.00 1.00 H new ATOM 0 HA LYS A 33 1.974 12.684 18.226 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.000 10.506 17.780 1.00 1.00 H new ATOM 0 HB3 LYS A 33 1.466 10.115 18.657 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -0.219 12.553 19.361 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -0.554 10.973 20.042 1.00 1.00 H new ATOM 0 HD2 LYS A 33 2.164 12.356 20.228 1.00 1.00 H new ATOM 0 HD3 LYS A 33 0.941 12.444 21.480 1.00 1.00 H new ATOM 0 HE2 LYS A 33 1.856 10.544 22.334 1.00 1.00 H new ATOM 0 HE3 LYS A 33 1.110 9.695 20.994 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 3.258 9.121 20.648 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 3.265 10.571 19.765 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 3.887 10.536 21.344 1.00 1.00 H new ATOM 497 N GLY A 34 2.505 10.332 15.989 1.00 1.00 N ATOM 498 CA GLY A 34 3.551 9.663 15.233 1.00 1.00 C ATOM 499 C GLY A 34 2.953 8.719 14.187 1.00 1.00 C ATOM 500 O GLY A 34 1.740 8.568 14.062 1.00 1.00 O ATOM 0 H GLY A 34 1.567 9.959 15.842 1.00 1.00 H new ATOM 0 HA2 GLY A 34 4.180 10.405 14.741 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.192 9.100 15.912 1.00 1.00 H new ATOM 504 N PRO A 35 3.845 8.078 13.430 1.00 1.00 N ATOM 505 CA PRO A 35 3.504 7.139 12.383 1.00 1.00 C ATOM 506 C PRO A 35 3.246 5.769 12.992 1.00 1.00 C ATOM 507 O PRO A 35 3.564 5.569 14.163 1.00 1.00 O ATOM 508 CB PRO A 35 4.726 7.111 11.467 1.00 1.00 C ATOM 509 CG PRO A 35 5.807 8.159 12.119 1.00 1.00 C ATOM 510 CD PRO A 35 5.279 8.232 13.551 1.00 1.00 C ATOM 0 HA PRO A 35 2.603 7.420 11.838 1.00 1.00 H new ATOM 0 HB2 PRO A 35 5.145 6.106 11.406 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.459 7.407 10.452 1.00 1.00 H new ATOM 0 HG2 PRO A 35 6.830 7.786 12.071 1.00 1.00 H new ATOM 0 HG3 PRO A 35 5.798 9.129 11.622 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.709 7.446 14.171 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.536 9.183 14.018 1.00 1.00 H new ATOM 518 N GLY A 36 2.684 4.865 12.202 1.00 1.00 N ATOM 519 CA GLY A 36 2.394 3.526 12.685 1.00 1.00 C ATOM 520 C GLY A 36 0.885 3.276 12.737 1.00 1.00 C ATOM 521 O GLY A 36 0.094 4.209 12.611 1.00 1.00 O ATOM 0 H GLY A 36 2.422 5.034 11.231 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.866 2.791 12.033 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.823 3.393 13.678 1.00 1.00 H new ATOM 525 N LYS A 37 0.533 2.012 12.920 1.00 1.00 N ATOM 526 CA LYS A 37 -0.867 1.628 12.989 1.00 1.00 C ATOM 527 C LYS A 37 -1.632 2.655 13.826 1.00 1.00 C ATOM 528 O LYS A 37 -1.574 2.627 15.055 1.00 1.00 O ATOM 529 CB LYS A 37 -1.004 0.192 13.500 1.00 1.00 C ATOM 530 CG LYS A 37 -0.238 0.001 14.811 1.00 1.00 C ATOM 531 CD LYS A 37 1.188 -0.485 14.546 1.00 1.00 C ATOM 532 CE LYS A 37 1.548 -1.655 15.464 1.00 1.00 C ATOM 533 NZ LYS A 37 2.169 -2.751 14.688 1.00 1.00 N ATOM 0 H LYS A 37 1.193 1.241 13.023 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.313 1.631 11.994 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -2.057 -0.045 13.652 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.626 -0.502 12.750 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.209 0.942 15.360 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -0.761 -0.719 15.440 1.00 1.00 H new ATOM 0 HD2 LYS A 37 1.284 -0.792 13.505 1.00 1.00 H new ATOM 0 HD3 LYS A 37 1.890 0.334 14.702 1.00 1.00 H new ATOM 0 HE2 LYS A 37 2.234 -1.318 16.241 1.00 1.00 H new ATOM 0 HE3 LYS A 37 0.652 -2.020 15.966 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 2.407 -3.537 15.326 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 1.502 -3.084 13.963 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 3.035 -2.404 14.229 1.00 1.00 H new ATOM 546 N ILE A 38 -2.332 3.537 13.128 1.00 1.00 N ATOM 547 CA ILE A 38 -3.109 4.570 13.793 1.00 1.00 C ATOM 548 C ILE A 38 -3.971 3.933 14.883 1.00 1.00 C ATOM 549 O ILE A 38 -4.630 2.921 14.647 1.00 1.00 O ATOM 550 CB ILE A 38 -3.909 5.379 12.770 1.00 1.00 C ATOM 551 CG1 ILE A 38 -2.979 6.157 11.836 1.00 1.00 C ATOM 552 CG2 ILE A 38 -4.919 6.295 13.465 1.00 1.00 C ATOM 553 CD1 ILE A 38 -3.778 7.044 10.880 1.00 1.00 C ATOM 0 H ILE A 38 -2.378 3.558 12.109 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.450 5.285 14.286 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.476 4.682 12.152 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.298 6.772 12.425 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -2.366 5.460 11.264 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -5.475 6.859 12.716 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.612 5.693 14.053 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.391 6.986 14.122 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.093 7.586 10.228 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -4.440 6.424 10.276 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.371 7.756 11.454 1.00 1.00 H new ATOM 560 N GLU A 39 -3.940 4.551 16.055 1.00 1.00 N ATOM 561 CA GLU A 39 -4.711 4.057 17.183 1.00 1.00 C ATOM 562 C GLU A 39 -6.073 3.546 16.711 1.00 1.00 C ATOM 563 O GLU A 39 -7.023 4.319 16.592 1.00 1.00 O ATOM 564 CB GLU A 39 -4.870 5.138 18.253 1.00 1.00 C ATOM 565 CG GLU A 39 -3.604 5.260 19.103 1.00 1.00 C ATOM 566 CD GLU A 39 -3.806 6.253 20.249 1.00 1.00 C ATOM 567 OE1 GLU A 39 -4.407 5.902 21.275 1.00 1.00 O ATOM 568 OE2 GLU A 39 -3.311 7.427 20.046 1.00 1.00 O ATOM 0 H GLU A 39 -3.393 5.390 16.248 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.169 3.225 17.633 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -5.087 6.095 17.778 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -5.720 4.899 18.892 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -3.337 4.283 19.506 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -2.772 5.585 18.478 1.00 1.00 H new ATOM 576 N GLY A 40 -6.127 2.247 16.457 1.00 1.00 N ATOM 577 CA GLY A 40 -7.358 1.625 16.001 1.00 1.00 C ATOM 578 C GLY A 40 -8.237 2.629 15.253 1.00 1.00 C ATOM 579 O GLY A 40 -9.068 3.304 15.858 1.00 1.00 O ATOM 0 H GLY A 40 -5.338 1.608 16.558 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.124 0.784 15.348 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -7.904 1.224 16.855 1.00 1.00 H new ATOM 583 N PHE A 41 -8.024 2.696 13.947 1.00 1.00 N ATOM 584 CA PHE A 41 -8.786 3.608 13.109 1.00 1.00 C ATOM 585 C PHE A 41 -10.289 3.405 13.307 1.00 1.00 C ATOM 586 O PHE A 41 -10.737 2.300 13.607 1.00 1.00 O ATOM 587 CB PHE A 41 -8.427 3.287 11.657 1.00 1.00 C ATOM 588 CG PHE A 41 -9.227 4.086 10.627 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.561 3.864 10.480 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.605 5.019 9.858 1.00 1.00 C ATOM 591 CE1 PHE A 41 -11.304 4.606 9.525 1.00 1.00 C ATOM 592 CE2 PHE A 41 -9.348 5.762 8.902 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.682 5.538 8.756 1.00 1.00 C ATOM 0 H PHE A 41 -7.335 2.134 13.448 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.548 4.640 13.368 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.365 3.479 11.505 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.587 2.223 11.481 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -11.055 3.123 11.090 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.546 5.195 9.974 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.363 4.430 9.410 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -8.854 6.504 8.292 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.247 6.101 8.028 1.00 1.00 H new ATOM 603 N GLY A 42 -11.027 4.491 13.131 1.00 1.00 N ATOM 604 CA GLY A 42 -12.472 4.447 13.287 1.00 1.00 C ATOM 605 C GLY A 42 -13.174 5.013 12.050 1.00 1.00 C ATOM 606 O GLY A 42 -12.630 5.877 11.364 1.00 1.00 O ATOM 0 H GLY A 42 -10.652 5.406 12.882 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.792 3.418 13.453 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.764 5.018 14.168 1.00 1.00 H new ATOM 610 N LYS A 43 -14.371 4.502 11.804 1.00 1.00 N ATOM 611 CA LYS A 43 -15.153 4.945 10.662 1.00 1.00 C ATOM 612 C LYS A 43 -15.663 6.364 10.918 1.00 1.00 C ATOM 613 O LYS A 43 -15.399 7.274 10.134 1.00 1.00 O ATOM 614 CB LYS A 43 -16.263 3.939 10.350 1.00 1.00 C ATOM 615 CG LYS A 43 -15.811 2.510 10.655 1.00 1.00 C ATOM 616 CD LYS A 43 -14.454 2.215 10.011 1.00 1.00 C ATOM 617 CE LYS A 43 -13.433 1.772 11.060 1.00 1.00 C ATOM 618 NZ LYS A 43 -13.995 0.700 11.909 1.00 1.00 N ATOM 0 H LYS A 43 -14.819 3.786 12.376 1.00 1.00 H new ATOM 0 HA LYS A 43 -14.531 4.986 9.768 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.150 4.177 10.938 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -16.546 4.018 9.300 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -15.744 2.368 11.734 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -16.554 1.803 10.286 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -14.567 1.436 9.257 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -14.090 3.105 9.498 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -12.528 1.417 10.568 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.147 2.622 11.679 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.236 0.050 12.195 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.429 1.119 12.756 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -14.716 0.176 11.374 1.00 1.00 H new ATOM 631 N GLU A 44 -16.386 6.509 12.019 1.00 1.00 N ATOM 632 CA GLU A 44 -16.935 7.803 12.389 1.00 1.00 C ATOM 633 C GLU A 44 -15.925 8.912 12.095 1.00 1.00 C ATOM 634 O GLU A 44 -16.300 9.995 11.647 1.00 1.00 O ATOM 635 CB GLU A 44 -17.356 7.819 13.861 1.00 1.00 C ATOM 636 CG GLU A 44 -16.153 8.071 14.771 1.00 1.00 C ATOM 637 CD GLU A 44 -15.236 6.847 14.822 1.00 1.00 C ATOM 638 OE1 GLU A 44 -15.582 5.791 14.270 1.00 1.00 O ATOM 639 OE2 GLU A 44 -14.129 7.020 15.460 1.00 1.00 O ATOM 0 H GLU A 44 -16.604 5.752 12.667 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.826 7.983 11.788 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.106 8.594 14.020 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -17.820 6.868 14.121 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -15.594 8.934 14.409 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -16.498 8.313 15.776 1.00 1.00 H new ATOM 647 N MET A 45 -14.663 8.606 12.359 1.00 1.00 N ATOM 648 CA MET A 45 -13.596 9.564 12.128 1.00 1.00 C ATOM 649 C MET A 45 -13.446 9.869 10.637 1.00 1.00 C ATOM 650 O MET A 45 -13.301 11.027 10.247 1.00 1.00 O ATOM 651 CB MET A 45 -12.279 9.002 12.669 1.00 1.00 C ATOM 652 CG MET A 45 -11.667 9.945 13.708 1.00 1.00 C ATOM 653 SD MET A 45 -12.249 9.516 15.339 1.00 1.00 S ATOM 654 CE MET A 45 -11.061 10.400 16.335 1.00 1.00 C ATOM 0 H MET A 45 -14.356 7.707 12.731 1.00 1.00 H new ATOM 0 HA MET A 45 -13.847 10.490 12.646 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.454 8.024 13.118 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.577 8.855 11.848 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.579 9.882 13.673 1.00 1.00 H new ATOM 0 HG3 MET A 45 -11.934 10.976 13.477 1.00 1.00 H new ATOM 0 HE1 MET A 45 -11.280 10.239 17.391 1.00 1.00 H new ATOM 0 HE2 MET A 45 -10.058 10.036 16.113 1.00 1.00 H new ATOM 0 HE3 MET A 45 -11.119 11.465 16.110 1.00 1.00 H new ATOM 664 N ALA A 46 -13.488 8.811 9.841 1.00 1.00 N ATOM 665 CA ALA A 46 -13.358 8.951 8.401 1.00 1.00 C ATOM 666 C ALA A 46 -14.267 10.083 7.919 1.00 1.00 C ATOM 667 O ALA A 46 -13.795 11.092 7.397 1.00 1.00 O ATOM 668 CB ALA A 46 -13.683 7.616 7.727 1.00 1.00 C ATOM 0 H ALA A 46 -13.610 7.852 10.167 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.335 9.212 8.132 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.586 7.721 6.646 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -12.991 6.852 8.081 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.704 7.323 7.973 1.00 1.00 H new ATOM 674 N HIS A 47 -15.571 9.881 8.113 1.00 1.00 N ATOM 675 CA HIS A 47 -16.589 10.848 7.720 1.00 1.00 C ATOM 676 C HIS A 47 -16.409 12.150 8.523 1.00 1.00 C ATOM 677 O HIS A 47 -17.018 13.167 8.197 1.00 1.00 O ATOM 678 CB HIS A 47 -17.974 10.200 7.868 1.00 1.00 C ATOM 679 CG HIS A 47 -18.151 8.828 7.262 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.775 7.834 7.901 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.760 8.316 6.048 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.774 6.745 7.116 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.161 6.987 5.959 1.00 1.00 N ATOM 0 H HIS A 47 -15.949 9.039 8.548 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.487 11.131 6.672 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.207 10.135 8.931 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.711 10.867 7.420 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.225 8.860 5.283 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.213 5.796 7.387 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -18.018 6.342 5.182 1.00 1.00 H new ATOM 691 N GLY A 48 -15.574 12.071 9.548 1.00 1.00 N ATOM 692 CA GLY A 48 -15.312 13.227 10.390 1.00 1.00 C ATOM 693 C GLY A 48 -14.292 14.161 9.735 1.00 1.00 C ATOM 694 O GLY A 48 -14.407 14.481 8.554 1.00 1.00 O ATOM 0 H GLY A 48 -15.070 11.225 9.815 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.241 13.767 10.572 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.939 12.898 11.360 1.00 1.00 H new ATOM 698 N LYS A 49 -13.317 14.572 10.533 1.00 1.00 N ATOM 699 CA LYS A 49 -12.277 15.463 10.046 1.00 1.00 C ATOM 700 C LYS A 49 -10.961 14.691 9.932 1.00 1.00 C ATOM 701 O LYS A 49 -9.935 15.128 10.451 1.00 1.00 O ATOM 702 CB LYS A 49 -12.185 16.709 10.928 1.00 1.00 C ATOM 703 CG LYS A 49 -11.389 17.816 10.231 1.00 1.00 C ATOM 704 CD LYS A 49 -11.313 19.070 11.105 1.00 1.00 C ATOM 705 CE LYS A 49 -12.381 20.086 10.701 1.00 1.00 C ATOM 706 NZ LYS A 49 -11.966 21.454 11.084 1.00 1.00 N ATOM 0 H LYS A 49 -13.225 14.305 11.513 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.521 15.824 9.047 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -13.187 17.069 11.162 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -11.709 16.455 11.875 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -10.382 17.461 10.010 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -11.857 18.061 9.278 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -11.444 18.796 12.152 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -10.325 19.521 11.015 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -12.548 20.038 9.625 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -13.327 19.839 11.182 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -12.703 22.132 10.802 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -11.829 21.500 12.114 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -11.074 21.693 10.605 1.00 1.00 H new ATOM 719 N GLY A 50 -11.035 13.556 9.252 1.00 1.00 N ATOM 720 CA GLY A 50 -9.862 12.720 9.063 1.00 1.00 C ATOM 721 C GLY A 50 -9.983 11.885 7.787 1.00 1.00 C ATOM 722 O GLY A 50 -9.427 10.791 7.701 1.00 1.00 O ATOM 0 H GLY A 50 -11.889 13.196 8.825 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.971 13.345 9.010 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.738 12.061 9.923 1.00 1.00 H new ATOM 726 N CYS A 51 -10.714 12.432 6.826 1.00 1.00 N ATOM 727 CA CYS A 51 -10.915 11.752 5.559 1.00 1.00 C ATOM 728 C CYS A 51 -11.767 12.651 4.661 1.00 1.00 C ATOM 729 O CYS A 51 -11.272 13.205 3.681 1.00 1.00 O ATOM 730 CB CYS A 51 -11.548 10.373 5.751 1.00 1.00 C ATOM 731 SG CYS A 51 -11.026 9.112 4.532 1.00 1.00 S ATOM 0 H CYS A 51 -11.174 13.339 6.900 1.00 1.00 H new ATOM 0 HA CYS A 51 -9.951 11.573 5.083 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.305 10.014 6.751 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.632 10.477 5.704 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.621 7.985 4.791 1.00 1.00 H new ATOM 736 N LYS A 52 -13.035 12.769 5.029 1.00 1.00 N ATOM 737 CA LYS A 52 -13.961 13.592 4.269 1.00 1.00 C ATOM 738 C LYS A 52 -13.875 15.038 4.762 1.00 1.00 C ATOM 739 O LYS A 52 -13.594 15.947 3.984 1.00 1.00 O ATOM 740 CB LYS A 52 -15.373 13.004 4.328 1.00 1.00 C ATOM 741 CG LYS A 52 -16.345 13.826 3.480 1.00 1.00 C ATOM 742 CD LYS A 52 -17.596 14.194 4.280 1.00 1.00 C ATOM 743 CE LYS A 52 -18.850 14.109 3.408 1.00 1.00 C ATOM 744 NZ LYS A 52 -19.355 15.464 3.093 1.00 1.00 N ATOM 0 H LYS A 52 -13.442 12.309 5.843 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.687 13.598 3.214 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.357 11.974 3.973 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.718 12.980 5.362 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.852 14.734 3.132 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -16.630 13.258 2.594 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -17.696 13.524 5.134 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -17.493 15.204 4.678 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -18.623 13.575 2.485 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -19.621 13.538 3.925 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.206 15.388 2.501 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -19.591 15.961 3.976 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -18.623 15.997 2.581 1.00 1.00 H new ATOM 757 N GLY A 53 -14.123 15.204 6.053 1.00 1.00 N ATOM 758 CA GLY A 53 -14.078 16.524 6.659 1.00 1.00 C ATOM 759 C GLY A 53 -13.029 17.405 5.976 1.00 1.00 C ATOM 760 O GLY A 53 -13.343 18.498 5.506 1.00 1.00 O ATOM 0 H GLY A 53 -14.356 14.447 6.696 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -15.058 16.996 6.585 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.847 16.433 7.720 1.00 1.00 H new ATOM 764 N CYS A 54 -11.806 16.897 5.943 1.00 1.00 N ATOM 765 CA CYS A 54 -10.710 17.625 5.325 1.00 1.00 C ATOM 766 C CYS A 54 -11.220 18.246 4.023 1.00 1.00 C ATOM 767 O CYS A 54 -11.324 19.466 3.905 1.00 1.00 O ATOM 768 CB CYS A 54 -9.496 16.726 5.090 1.00 1.00 C ATOM 769 SG CYS A 54 -8.010 17.466 5.860 1.00 1.00 S ATOM 0 H CYS A 54 -11.549 15.990 6.334 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.371 18.415 5.995 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.679 15.737 5.510 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.333 16.593 4.020 1.00 1.00 H new ATOM 0 HG CYS A 54 -6.985 16.693 5.656 1.00 1.00 H new ATOM 774 N HIS A 55 -11.530 17.372 3.065 1.00 1.00 N ATOM 775 CA HIS A 55 -12.032 17.776 1.756 1.00 1.00 C ATOM 776 C HIS A 55 -13.133 18.840 1.927 1.00 1.00 C ATOM 777 O HIS A 55 -13.115 19.863 1.244 1.00 1.00 O ATOM 778 CB HIS A 55 -12.477 16.525 0.986 1.00 1.00 C ATOM 779 CG HIS A 55 -11.519 15.356 0.977 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.901 14.109 1.270 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.174 15.288 0.701 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.838 13.297 1.179 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.745 13.973 0.831 1.00 1.00 N ATOM 0 H HIS A 55 -11.439 16.362 3.177 1.00 1.00 H new ATOM 0 HA HIS A 55 -11.253 18.249 1.159 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.424 16.186 1.406 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.672 16.813 -0.047 1.00 1.00 H new ATOM 0 HD1 HIS A 55 -12.847 13.822 1.522 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.549 16.125 0.426 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -10.865 12.233 1.364 1.00 1.00 H new ATOM 791 N GLU A 56 -14.056 18.560 2.835 1.00 1.00 N ATOM 792 CA GLU A 56 -15.151 19.478 3.098 1.00 1.00 C ATOM 793 C GLU A 56 -14.607 20.857 3.475 1.00 1.00 C ATOM 794 O GLU A 56 -15.226 21.877 3.172 1.00 1.00 O ATOM 795 CB GLU A 56 -16.072 18.933 4.190 1.00 1.00 C ATOM 796 CG GLU A 56 -17.031 20.017 4.689 1.00 1.00 C ATOM 797 CD GLU A 56 -18.477 19.518 4.676 1.00 1.00 C ATOM 798 OE1 GLU A 56 -19.133 19.542 3.624 1.00 1.00 O ATOM 799 OE2 GLU A 56 -18.917 19.091 5.811 1.00 1.00 O ATOM 0 H GLU A 56 -14.068 17.710 3.398 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.743 19.579 2.188 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.642 18.089 3.802 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.475 18.560 5.022 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.754 20.315 5.700 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -16.943 20.903 4.060 1.00 1.00 H new ATOM 807 N GLU A 57 -13.457 20.846 4.132 1.00 1.00 N ATOM 808 CA GLU A 57 -12.824 22.085 4.555 1.00 1.00 C ATOM 809 C GLU A 57 -11.874 22.593 3.467 1.00 1.00 C ATOM 810 O GLU A 57 -11.963 23.746 3.051 1.00 1.00 O ATOM 811 CB GLU A 57 -12.087 21.899 5.882 1.00 1.00 C ATOM 812 CG GLU A 57 -11.606 23.241 6.435 1.00 1.00 C ATOM 813 CD GLU A 57 -10.158 23.147 6.922 1.00 1.00 C ATOM 814 OE1 GLU A 57 -9.267 22.776 6.145 1.00 1.00 O ATOM 815 OE2 GLU A 57 -9.976 23.478 8.155 1.00 1.00 O ATOM 0 H GLU A 57 -12.946 19.999 4.382 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.601 22.833 4.711 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.747 21.420 6.605 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -11.235 21.234 5.739 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -11.685 24.006 5.662 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -12.251 23.551 7.257 1.00 1.00 H new ATOM 823 N MET A 58 -10.989 21.705 3.038 1.00 1.00 N ATOM 824 CA MET A 58 -10.024 22.049 2.007 1.00 1.00 C ATOM 825 C MET A 58 -10.720 22.308 0.669 1.00 1.00 C ATOM 826 O MET A 58 -10.095 22.783 -0.277 1.00 1.00 O ATOM 827 CB MET A 58 -9.017 20.908 1.848 1.00 1.00 C ATOM 828 CG MET A 58 -7.592 21.448 1.723 1.00 1.00 C ATOM 829 SD MET A 58 -6.541 20.686 2.948 1.00 1.00 S ATOM 830 CE MET A 58 -6.201 22.099 3.986 1.00 1.00 C ATOM 0 H MET A 58 -10.920 20.748 3.385 1.00 1.00 H new ATOM 0 HA MET A 58 -9.508 22.960 2.308 1.00 1.00 H new ATOM 0 HB2 MET A 58 -9.082 20.239 2.706 1.00 1.00 H new ATOM 0 HB3 MET A 58 -9.265 20.319 0.965 1.00 1.00 H new ATOM 0 HG2 MET A 58 -7.205 21.248 0.724 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.592 22.530 1.854 1.00 1.00 H new ATOM 0 HE1 MET A 58 -5.552 21.799 4.808 1.00 1.00 H new ATOM 0 HE2 MET A 58 -5.707 22.872 3.398 1.00 1.00 H new ATOM 0 HE3 MET A 58 -7.136 22.490 4.386 1.00 1.00 H new ATOM 840 N LYS A 59 -12.004 21.983 0.634 1.00 1.00 N ATOM 841 CA LYS A 59 -12.791 22.173 -0.573 1.00 1.00 C ATOM 842 C LYS A 59 -12.123 21.436 -1.734 1.00 1.00 C ATOM 843 O LYS A 59 -12.374 21.745 -2.898 1.00 1.00 O ATOM 844 CB LYS A 59 -13.013 23.664 -0.837 1.00 1.00 C ATOM 845 CG LYS A 59 -14.010 24.256 0.162 1.00 1.00 C ATOM 846 CD LYS A 59 -13.714 25.736 0.419 1.00 1.00 C ATOM 847 CE LYS A 59 -13.992 26.105 1.877 1.00 1.00 C ATOM 848 NZ LYS A 59 -15.443 26.296 2.096 1.00 1.00 N ATOM 0 H LYS A 59 -12.519 21.589 1.422 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.785 21.742 -0.452 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -12.064 24.195 -0.766 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -13.383 23.806 -1.853 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -15.024 24.145 -0.222 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -13.962 23.703 1.100 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -12.673 25.949 0.178 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -14.326 26.353 -0.239 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -13.619 25.319 2.534 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -13.456 27.018 2.136 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -15.614 26.546 3.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -15.789 27.061 1.482 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -15.947 25.415 1.869 1.00 1.00 H new ATOM 861 N LYS A 60 -11.285 20.473 -1.378 1.00 1.00 N ATOM 862 CA LYS A 60 -10.579 19.689 -2.377 1.00 1.00 C ATOM 863 C LYS A 60 -10.727 18.201 -2.049 1.00 1.00 C ATOM 864 O LYS A 60 -10.672 17.810 -0.884 1.00 1.00 O ATOM 865 CB LYS A 60 -9.125 20.151 -2.492 1.00 1.00 C ATOM 866 CG LYS A 60 -8.889 20.897 -3.806 1.00 1.00 C ATOM 867 CD LYS A 60 -9.412 22.332 -3.722 1.00 1.00 C ATOM 868 CE LYS A 60 -9.801 22.855 -5.107 1.00 1.00 C ATOM 869 NZ LYS A 60 -8.649 23.528 -5.748 1.00 1.00 N ATOM 0 H LYS A 60 -11.079 20.218 -0.412 1.00 1.00 H new ATOM 0 HA LYS A 60 -11.018 19.845 -3.363 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.878 20.800 -1.652 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.460 19.289 -2.435 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -7.824 20.907 -4.037 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.387 20.372 -4.621 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.276 22.370 -3.059 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -8.648 22.977 -3.287 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -10.141 22.029 -5.732 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -10.634 23.552 -5.018 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -8.929 23.877 -6.687 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.342 24.328 -5.158 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.865 22.852 -5.850 1.00 1.00 H new ATOM 882 N GLY A 61 -10.913 17.413 -3.097 1.00 1.00 N ATOM 883 CA GLY A 61 -11.070 15.978 -2.936 1.00 1.00 C ATOM 884 C GLY A 61 -12.522 15.554 -3.175 1.00 1.00 C ATOM 885 O GLY A 61 -13.425 16.375 -3.318 1.00 1.00 O ATOM 0 H GLY A 61 -10.959 17.741 -4.062 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.416 15.456 -3.634 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.763 15.685 -1.932 1.00 1.00 H new ATOM 889 N PRO A 62 -12.726 14.235 -3.214 1.00 1.00 N ATOM 890 CA PRO A 62 -14.016 13.616 -3.426 1.00 1.00 C ATOM 891 C PRO A 62 -14.789 13.586 -2.116 1.00 1.00 C ATOM 892 O PRO A 62 -14.173 13.405 -1.066 1.00 1.00 O ATOM 893 CB PRO A 62 -13.697 12.201 -3.906 1.00 1.00 C ATOM 894 CG PRO A 62 -12.084 12.097 -3.977 1.00 1.00 C ATOM 895 CD PRO A 62 -11.685 13.243 -3.050 1.00 1.00 C ATOM 0 HA PRO A 62 -14.632 14.154 -4.147 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.105 11.457 -3.221 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -14.142 12.013 -4.883 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -11.716 11.133 -3.625 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.705 12.233 -4.990 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.618 12.908 -2.015 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.709 13.647 -3.319 1.00 1.00 H new ATOM 903 N THR A 63 -16.100 13.762 -2.196 1.00 1.00 N ATOM 904 CA THR A 63 -16.930 13.753 -1.004 1.00 1.00 C ATOM 905 C THR A 63 -17.997 12.660 -1.105 1.00 1.00 C ATOM 906 O THR A 63 -18.337 12.025 -0.108 1.00 1.00 O ATOM 907 CB THR A 63 -17.513 15.156 -0.823 1.00 1.00 C ATOM 908 OG1 THR A 63 -17.875 15.554 -2.142 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.456 16.178 -0.402 1.00 1.00 C ATOM 0 H THR A 63 -16.607 13.912 -3.068 1.00 1.00 H new ATOM 0 HA THR A 63 -16.345 13.511 -0.117 1.00 1.00 H new ATOM 0 HB THR A 63 -18.307 15.126 -0.077 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.264 16.453 -2.117 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.922 17.157 -0.287 1.00 1.00 H new ATOM 0 HG22 THR A 63 -16.013 15.874 0.546 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.679 16.233 -1.165 1.00 1.00 H new ATOM 915 N LYS A 64 -18.496 12.476 -2.319 1.00 1.00 N ATOM 916 CA LYS A 64 -19.518 11.472 -2.563 1.00 1.00 C ATOM 917 C LYS A 64 -19.031 10.119 -2.044 1.00 1.00 C ATOM 918 O LYS A 64 -17.829 9.855 -2.017 1.00 1.00 O ATOM 919 CB LYS A 64 -19.911 11.457 -4.042 1.00 1.00 C ATOM 920 CG LYS A 64 -20.704 10.195 -4.386 1.00 1.00 C ATOM 921 CD LYS A 64 -22.164 10.328 -3.948 1.00 1.00 C ATOM 922 CE LYS A 64 -22.750 8.965 -3.570 1.00 1.00 C ATOM 923 NZ LYS A 64 -24.216 8.958 -3.771 1.00 1.00 N ATOM 0 H LYS A 64 -18.212 13.005 -3.144 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.429 11.715 -2.016 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -20.508 12.340 -4.272 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -19.015 11.508 -4.661 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -20.658 10.014 -5.460 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.251 9.332 -3.897 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -22.232 11.006 -3.097 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -22.750 10.769 -4.754 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -22.290 8.184 -4.176 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -22.519 8.739 -2.529 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -24.598 8.026 -3.510 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -24.652 9.690 -3.175 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -24.430 9.152 -4.770 1.00 1.00 H new ATOM 936 N CYS A 65 -19.988 9.295 -1.643 1.00 1.00 N ATOM 937 CA CYS A 65 -19.671 7.975 -1.125 1.00 1.00 C ATOM 938 C CYS A 65 -19.011 7.166 -2.242 1.00 1.00 C ATOM 939 O CYS A 65 -17.878 6.708 -2.096 1.00 1.00 O ATOM 940 CB CYS A 65 -20.913 7.272 -0.570 1.00 1.00 C ATOM 941 SG CYS A 65 -22.227 8.396 0.028 1.00 1.00 S ATOM 0 H CYS A 65 -20.983 9.516 -1.666 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.980 8.067 -0.287 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.329 6.631 -1.348 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.609 6.622 0.250 1.00 1.00 H new ATOM 0 HG CYS A 65 -23.228 7.696 0.472 1.00 1.00 H new ATOM 946 N GLY A 66 -19.747 7.014 -3.334 1.00 1.00 N ATOM 947 CA GLY A 66 -19.246 6.269 -4.477 1.00 1.00 C ATOM 948 C GLY A 66 -17.829 6.715 -4.843 1.00 1.00 C ATOM 949 O GLY A 66 -17.064 5.947 -5.426 1.00 1.00 O ATOM 0 H GLY A 66 -20.686 7.394 -3.451 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.248 5.203 -4.250 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.909 6.415 -5.330 1.00 1.00 H new ATOM 953 N GLU A 67 -17.521 7.954 -4.489 1.00 1.00 N ATOM 954 CA GLU A 67 -16.210 8.511 -4.775 1.00 1.00 C ATOM 955 C GLU A 67 -15.164 7.914 -3.832 1.00 1.00 C ATOM 956 O GLU A 67 -13.974 7.902 -4.146 1.00 1.00 O ATOM 957 CB GLU A 67 -16.230 10.038 -4.675 1.00 1.00 C ATOM 958 CG GLU A 67 -16.764 10.664 -5.965 1.00 1.00 C ATOM 959 CD GLU A 67 -15.618 11.055 -6.900 1.00 1.00 C ATOM 960 OE1 GLU A 67 -15.220 12.229 -6.935 1.00 1.00 O ATOM 961 OE2 GLU A 67 -15.137 10.089 -7.606 1.00 1.00 O ATOM 0 H GLU A 67 -18.157 8.588 -4.006 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.940 8.250 -5.798 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.852 10.343 -3.834 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -15.223 10.406 -4.477 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.425 9.959 -6.469 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -17.360 11.545 -5.726 1.00 1.00 H new ATOM 969 N CYS A 68 -15.644 7.432 -2.695 1.00 1.00 N ATOM 970 CA CYS A 68 -14.764 6.835 -1.705 1.00 1.00 C ATOM 971 C CYS A 68 -14.994 5.322 -1.707 1.00 1.00 C ATOM 972 O CYS A 68 -14.054 4.541 -1.835 1.00 1.00 O ATOM 973 CB CYS A 68 -14.980 7.442 -0.317 1.00 1.00 C ATOM 974 SG CYS A 68 -13.724 8.735 0.002 1.00 1.00 S ATOM 0 H CYS A 68 -16.631 7.443 -2.437 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.726 7.044 -1.965 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.980 7.870 -0.250 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.915 6.664 0.444 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.917 9.246 1.182 1.00 1.00 H new ATOM 979 N HIS A 69 -16.266 4.945 -1.563 1.00 1.00 N ATOM 980 CA HIS A 69 -16.679 3.547 -1.542 1.00 1.00 C ATOM 981 C HIS A 69 -16.961 3.066 -2.976 1.00 1.00 C ATOM 982 O HIS A 69 -17.282 3.872 -3.848 1.00 1.00 O ATOM 983 CB HIS A 69 -17.867 3.394 -0.580 1.00 1.00 C ATOM 984 CG HIS A 69 -17.612 3.730 0.872 1.00 1.00 C ATOM 985 ND1 HIS A 69 -16.817 2.992 1.653 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.078 4.754 1.661 1.00 1.00 C ATOM 987 CE1 HIS A 69 -16.789 3.534 2.880 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.550 4.625 2.940 1.00 1.00 N ATOM 0 H HIS A 69 -17.037 5.604 -1.458 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.885 2.902 -1.164 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.679 4.027 -0.938 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.218 2.364 -0.634 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.314 2.153 1.363 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.749 5.536 1.338 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.223 3.137 3.710 1.00 1.00 H new ATOM 996 N LYS A 70 -16.832 1.761 -3.173 1.00 1.00 N ATOM 997 CA LYS A 70 -17.069 1.174 -4.480 1.00 1.00 C ATOM 998 C LYS A 70 -18.081 0.034 -4.346 1.00 1.00 C ATOM 999 O LYS A 70 -17.832 -0.942 -3.641 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.749 0.752 -5.126 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.995 -0.061 -6.398 1.00 1.00 C ATOM 1002 CD LYS A 70 -15.513 0.697 -7.636 1.00 1.00 C ATOM 1003 CE LYS A 70 -16.690 1.084 -8.534 1.00 1.00 C ATOM 1004 NZ LYS A 70 -16.757 0.192 -9.714 1.00 1.00 N ATOM 0 H LYS A 70 -16.566 1.094 -2.448 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.505 1.911 -5.155 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -15.158 1.636 -5.364 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -15.167 0.160 -4.419 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -15.477 -1.017 -6.328 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -17.058 -0.281 -6.493 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -14.973 1.594 -7.331 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.812 0.078 -8.196 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -17.621 1.022 -7.970 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -16.582 2.119 -8.859 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -17.561 0.468 -10.313 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -15.875 0.272 -10.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -16.882 -0.791 -9.399 1.00 1.00 H new ATOM 1017 N LYS A 71 -19.202 0.196 -5.035 1.00 1.00 N ATOM 1018 CA LYS A 71 -20.252 -0.808 -5.001 1.00 1.00 C ATOM 1019 C LYS A 71 -20.634 -1.187 -6.434 1.00 1.00 C ATOM 1020 O LYS A 71 -21.515 -0.567 -7.029 1.00 1.00 O ATOM 1021 CB LYS A 71 -21.431 -0.320 -4.158 1.00 1.00 C ATOM 1022 CG LYS A 71 -21.457 -1.018 -2.796 1.00 1.00 C ATOM 1023 CD LYS A 71 -22.859 -0.975 -2.185 1.00 1.00 C ATOM 1024 CE LYS A 71 -22.790 -0.769 -0.670 1.00 1.00 C ATOM 1025 NZ LYS A 71 -24.090 -0.290 -0.152 1.00 1.00 N ATOM 0 H LYS A 71 -19.405 1.007 -5.619 1.00 1.00 H new ATOM 0 HA LYS A 71 -19.897 -1.716 -4.514 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -21.360 0.758 -4.017 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -22.365 -0.511 -4.687 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -21.137 -2.054 -2.908 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -20.748 -0.536 -2.123 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -23.433 -0.168 -2.640 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -23.385 -1.904 -2.406 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -22.520 -1.705 -0.182 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -22.009 -0.048 -0.430 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -24.025 -0.156 0.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -24.332 0.614 -0.605 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -24.828 -0.992 -0.364 1.00 1.00 H new