USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=17 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= -0.0186 X(o=0.034,f=0.0071) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.0526 X(o=0.034,f=-0.3) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -1.02 K(o=-2.2,f=-3!) USER MOD Set 2.2: A 55 HIS : no HD1:sc= -1.2 X(o=-2.2,f=-2.3) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 0 X(o=0,f=-0.012) USER MOD Set 3.2: A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00369) USER MOD Single : A 10 ASN : amide:sc= -2.28! C(o=-2.3!,f=-6.6!) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0.152 (180deg=0.138) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -2.97! C(o=-3!,f=-3.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00698) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0233 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+ 159:sc= -2.23! (180deg=-2.79!) USER MOD Single : A 45 MET CE :methyl -121:sc= -0.142 (180deg=-0.699) 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+ -144:sc= 0.574 (180deg=0.0903) 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+ -108:sc= 0 (180deg=-0.215) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0192 (180deg=-0.248) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.11 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 1.967 2.323 -0.813 1.00 1.00 N ATOM 12 CA ASP A 2 1.473 3.326 -1.743 1.00 1.00 C ATOM 13 C ASP A 2 -0.053 3.396 -1.647 1.00 1.00 C ATOM 14 O ASP A 2 -0.605 4.412 -1.228 1.00 1.00 O ATOM 15 CB ASP A 2 1.840 2.968 -3.184 1.00 1.00 C ATOM 16 CG ASP A 2 1.815 1.472 -3.506 1.00 1.00 C ATOM 17 OD1 ASP A 2 1.527 0.637 -2.636 1.00 1.00 O ATOM 18 OD2 ASP A 2 2.109 1.172 -4.725 1.00 1.00 O ATOM 0 HA ASP A 2 1.927 4.282 -1.482 1.00 1.00 H new ATOM 0 HB2 ASP A 2 1.152 3.480 -3.856 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.838 3.353 -3.395 1.00 1.00 H new ATOM 24 N ASP A 3 -0.690 2.304 -2.042 1.00 1.00 N ATOM 25 CA ASP A 3 -2.140 2.230 -2.006 1.00 1.00 C ATOM 26 C ASP A 3 -2.578 1.510 -0.728 1.00 1.00 C ATOM 27 O ASP A 3 -2.136 0.395 -0.458 1.00 1.00 O ATOM 28 CB ASP A 3 -2.682 1.442 -3.201 1.00 1.00 C ATOM 29 CG ASP A 3 -4.204 1.299 -3.244 1.00 1.00 C ATOM 30 OD1 ASP A 3 -4.926 2.254 -3.565 1.00 1.00 O ATOM 31 OD2 ASP A 3 -4.651 0.130 -2.927 1.00 1.00 O ATOM 0 H ASP A 3 -0.228 1.463 -2.389 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.530 3.247 -2.038 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.352 1.929 -4.118 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -2.239 0.446 -3.192 1.00 1.00 H new ATOM 37 N ILE A 4 -3.441 2.178 0.023 1.00 1.00 N ATOM 38 CA ILE A 4 -3.943 1.617 1.265 1.00 1.00 C ATOM 39 C ILE A 4 -5.420 1.251 1.095 1.00 1.00 C ATOM 40 O ILE A 4 -6.274 2.133 1.012 1.00 1.00 O ATOM 41 CB ILE A 4 -3.676 2.569 2.431 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.179 2.853 2.575 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.285 2.034 3.728 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.850 3.358 3.981 1.00 1.00 C ATOM 0 H ILE A 4 -3.805 3.103 -0.205 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.412 0.697 1.508 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.165 3.519 2.215 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.611 1.946 2.369 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.873 3.595 1.837 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -4.080 2.731 4.541 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.363 1.925 3.606 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.847 1.064 3.963 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.780 3.552 4.057 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.401 4.279 4.175 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -2.135 2.604 4.714 1.00 1.00 H new ATOM 51 N VAL A 5 -5.674 -0.048 1.048 1.00 1.00 N ATOM 52 CA VAL A 5 -7.032 -0.539 0.889 1.00 1.00 C ATOM 53 C VAL A 5 -7.669 -0.719 2.270 1.00 1.00 C ATOM 54 O VAL A 5 -7.205 -1.529 3.070 1.00 1.00 O ATOM 55 CB VAL A 5 -7.030 -1.825 0.060 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.425 -2.450 0.014 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.498 -1.566 -1.351 1.00 1.00 C ATOM 0 H VAL A 5 -4.963 -0.776 1.117 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.638 0.183 0.342 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.361 -2.536 0.545 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.395 -3.362 -0.581 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.751 -2.688 1.027 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.125 -1.746 -0.436 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.507 -2.496 -1.920 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.130 -0.830 -1.849 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.478 -1.187 -1.291 1.00 1.00 H new ATOM 63 N LEU A 6 -8.723 0.050 2.504 1.00 1.00 N ATOM 64 CA LEU A 6 -9.428 -0.014 3.772 1.00 1.00 C ATOM 65 C LEU A 6 -10.662 -0.906 3.620 1.00 1.00 C ATOM 66 O LEU A 6 -11.778 -0.408 3.479 1.00 1.00 O ATOM 67 CB LEU A 6 -9.745 1.393 4.280 1.00 1.00 C ATOM 68 CG LEU A 6 -8.570 2.374 4.320 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.064 3.821 4.305 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.661 2.090 5.517 1.00 1.00 C ATOM 0 H LEU A 6 -9.105 0.720 1.837 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.798 -0.469 4.536 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.526 1.818 3.649 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.158 1.310 5.286 1.00 1.00 H new ATOM 0 HG LEU A 6 -7.972 2.229 3.420 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.210 4.497 4.334 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.638 4.000 3.396 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.697 3.998 5.174 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.834 2.800 5.523 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.232 2.191 6.440 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.268 1.076 5.443 1.00 1.00 H new ATOM 78 N LYS A 7 -10.420 -2.208 3.654 1.00 1.00 N ATOM 79 CA LYS A 7 -11.498 -3.173 3.522 1.00 1.00 C ATOM 80 C LYS A 7 -12.690 -2.719 4.366 1.00 1.00 C ATOM 81 O LYS A 7 -12.557 -2.507 5.570 1.00 1.00 O ATOM 82 CB LYS A 7 -11.002 -4.580 3.865 1.00 1.00 C ATOM 83 CG LYS A 7 -10.412 -4.625 5.276 1.00 1.00 C ATOM 84 CD LYS A 7 -11.377 -5.302 6.252 1.00 1.00 C ATOM 85 CE LYS A 7 -10.940 -6.737 6.549 1.00 1.00 C ATOM 86 NZ LYS A 7 -11.541 -7.675 5.574 1.00 1.00 N ATOM 0 H LYS A 7 -9.493 -2.617 3.771 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.840 -3.223 2.488 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -11.827 -5.289 3.789 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.248 -4.890 3.142 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.465 -5.165 5.261 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.196 -3.612 5.616 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.420 -4.732 7.180 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -12.383 -5.304 5.832 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -9.853 -6.808 6.508 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -11.240 -7.013 7.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -11.234 -8.645 5.790 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -12.578 -7.619 5.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -11.234 -7.421 4.613 1.00 1.00 H new ATOM 99 N ALA A 8 -13.828 -2.582 3.701 1.00 1.00 N ATOM 100 CA ALA A 8 -15.043 -2.157 4.376 1.00 1.00 C ATOM 101 C ALA A 8 -16.082 -3.277 4.298 1.00 1.00 C ATOM 102 O ALA A 8 -15.839 -4.314 3.682 1.00 1.00 O ATOM 103 CB ALA A 8 -15.543 -0.853 3.752 1.00 1.00 C ATOM 0 H ALA A 8 -13.934 -2.758 2.702 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.849 -1.960 5.430 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.454 -0.534 4.258 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.780 -0.082 3.859 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.752 -1.013 2.694 1.00 1.00 H new ATOM 109 N LYS A 9 -17.220 -3.029 4.931 1.00 1.00 N ATOM 110 CA LYS A 9 -18.298 -4.005 4.942 1.00 1.00 C ATOM 111 C LYS A 9 -19.347 -3.608 3.903 1.00 1.00 C ATOM 112 O LYS A 9 -20.325 -4.327 3.697 1.00 1.00 O ATOM 113 CB LYS A 9 -18.861 -4.164 6.356 1.00 1.00 C ATOM 114 CG LYS A 9 -18.252 -5.383 7.053 1.00 1.00 C ATOM 115 CD LYS A 9 -17.241 -4.956 8.118 1.00 1.00 C ATOM 116 CE LYS A 9 -17.717 -5.355 9.517 1.00 1.00 C ATOM 117 NZ LYS A 9 -17.614 -6.819 9.702 1.00 1.00 N ATOM 0 H LYS A 9 -17.419 -2.167 5.439 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.926 -4.990 4.660 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.653 -3.266 6.938 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.945 -4.270 6.310 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -19.042 -5.976 7.513 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -17.763 -6.021 6.317 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -16.275 -5.417 7.913 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -17.095 -3.877 8.074 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -17.118 -4.844 10.271 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -18.749 -5.036 9.661 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -17.876 -7.065 10.678 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -18.256 -7.299 9.039 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -16.637 -7.124 9.519 1.00 1.00 H new ATOM 130 N ASN A 10 -19.111 -2.465 3.274 1.00 1.00 N ATOM 131 CA ASN A 10 -20.024 -1.965 2.262 1.00 1.00 C ATOM 132 C ASN A 10 -19.233 -1.196 1.202 1.00 1.00 C ATOM 133 O ASN A 10 -19.526 -0.033 0.926 1.00 1.00 O ATOM 134 CB ASN A 10 -21.052 -1.009 2.870 1.00 1.00 C ATOM 135 CG ASN A 10 -21.999 -1.751 3.815 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.588 -2.406 4.759 1.00 1.00 O ATOM 137 ND2 ASN A 10 -23.286 -1.614 3.509 1.00 1.00 N ATOM 0 H ASN A 10 -18.300 -1.871 3.447 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.541 -2.819 1.824 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -20.539 -0.215 3.413 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -21.626 -0.532 2.075 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -23.997 -2.072 4.079 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -23.562 -1.051 2.704 1.00 1.00 H new ATOM 143 N GLY A 11 -18.244 -1.875 0.639 1.00 1.00 N ATOM 144 CA GLY A 11 -17.408 -1.270 -0.383 1.00 1.00 C ATOM 145 C GLY A 11 -16.058 -0.841 0.194 1.00 1.00 C ATOM 146 O GLY A 11 -16.005 -0.177 1.229 1.00 1.00 O ATOM 0 H GLY A 11 -18.003 -2.838 0.872 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.251 -1.979 -1.196 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -17.917 -0.405 -0.809 1.00 1.00 H new ATOM 150 N ASP A 12 -15.001 -1.237 -0.498 1.00 1.00 N ATOM 151 CA ASP A 12 -13.654 -0.903 -0.066 1.00 1.00 C ATOM 152 C ASP A 12 -13.380 0.572 -0.364 1.00 1.00 C ATOM 153 O ASP A 12 -14.225 1.263 -0.931 1.00 1.00 O ATOM 154 CB ASP A 12 -12.612 -1.738 -0.813 1.00 1.00 C ATOM 155 CG ASP A 12 -13.129 -3.062 -1.378 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.400 -4.013 -0.630 1.00 1.00 O ATOM 157 OD2 ASP A 12 -13.253 -3.096 -2.661 1.00 1.00 O ATOM 0 H ASP A 12 -15.049 -1.787 -1.356 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.581 -1.109 1.002 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -12.211 -1.142 -1.633 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -11.784 -1.948 -0.136 1.00 1.00 H new ATOM 163 N VAL A 13 -12.195 1.014 0.034 1.00 1.00 N ATOM 164 CA VAL A 13 -11.799 2.394 -0.184 1.00 1.00 C ATOM 165 C VAL A 13 -10.379 2.429 -0.753 1.00 1.00 C ATOM 166 O VAL A 13 -9.434 1.990 -0.100 1.00 1.00 O ATOM 167 CB VAL A 13 -11.942 3.190 1.115 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.386 4.606 0.953 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.399 3.223 1.579 1.00 1.00 C ATOM 0 H VAL A 13 -11.497 0.440 0.506 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.454 2.869 -0.915 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.357 2.686 1.884 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.500 5.151 1.890 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.330 4.554 0.689 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -11.932 5.123 0.164 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.473 3.795 2.504 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.015 3.692 0.812 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -13.749 2.205 1.752 1.00 1.00 H new ATOM 175 N LYS A 14 -10.274 2.956 -1.964 1.00 1.00 N ATOM 176 CA LYS A 14 -8.986 3.054 -2.628 1.00 1.00 C ATOM 177 C LYS A 14 -8.321 4.380 -2.250 1.00 1.00 C ATOM 178 O LYS A 14 -8.509 5.388 -2.929 1.00 1.00 O ATOM 179 CB LYS A 14 -9.144 2.854 -4.138 1.00 1.00 C ATOM 180 CG LYS A 14 -7.793 2.957 -4.849 1.00 1.00 C ATOM 181 CD LYS A 14 -7.971 3.407 -6.300 1.00 1.00 C ATOM 182 CE LYS A 14 -7.373 4.797 -6.521 1.00 1.00 C ATOM 183 NZ LYS A 14 -8.334 5.846 -6.112 1.00 1.00 N ATOM 0 H LYS A 14 -11.060 3.320 -2.503 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.323 2.257 -2.292 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -9.589 1.879 -4.335 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.828 3.603 -4.538 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -7.153 3.664 -4.321 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.290 1.991 -4.823 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -7.492 2.691 -6.968 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -9.031 3.419 -6.553 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -6.451 4.898 -5.949 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -7.112 4.924 -7.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -7.954 6.781 -6.362 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -9.239 5.697 -6.602 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -8.485 5.797 -5.084 1.00 1.00 H new ATOM 196 N PHE A 15 -7.559 4.335 -1.167 1.00 1.00 N ATOM 197 CA PHE A 15 -6.865 5.519 -0.690 1.00 1.00 C ATOM 198 C PHE A 15 -5.392 5.494 -1.101 1.00 1.00 C ATOM 199 O PHE A 15 -4.613 4.641 -0.683 1.00 1.00 O ATOM 200 CB PHE A 15 -6.958 5.507 0.836 1.00 1.00 C ATOM 201 CG PHE A 15 -6.451 6.789 1.499 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.725 7.999 0.941 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.727 6.719 2.649 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.254 9.189 1.558 1.00 1.00 C ATOM 205 CE2 PHE A 15 -5.256 7.908 3.265 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.529 9.118 2.706 1.00 1.00 C ATOM 0 H PHE A 15 -7.407 3.497 -0.606 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.318 6.414 -1.118 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -7.997 5.346 1.125 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.386 4.661 1.218 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.301 8.055 0.029 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.511 5.759 3.093 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.472 10.150 1.115 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.681 7.852 4.177 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.170 10.022 3.174 1.00 1.00 H new ATOM 216 N PRO A 16 -5.023 6.464 -1.940 1.00 1.00 N ATOM 217 CA PRO A 16 -3.680 6.632 -2.454 1.00 1.00 C ATOM 218 C PRO A 16 -2.849 7.431 -1.462 1.00 1.00 C ATOM 219 O PRO A 16 -2.827 8.657 -1.549 1.00 1.00 O ATOM 220 CB PRO A 16 -3.856 7.397 -3.765 1.00 1.00 C ATOM 221 CG PRO A 16 -5.088 8.244 -3.488 1.00 1.00 C ATOM 222 CD PRO A 16 -5.913 7.484 -2.452 1.00 1.00 C ATOM 0 HA PRO A 16 -3.163 5.685 -2.609 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.985 8.010 -3.997 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -4.007 6.725 -4.610 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.806 9.228 -3.113 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.663 8.403 -4.401 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.254 8.146 -1.656 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.802 7.042 -2.902 1.00 1.00 H new ATOM 230 N HIS A 17 -2.186 6.734 -0.539 1.00 1.00 N ATOM 231 CA HIS A 17 -1.350 7.361 0.478 1.00 1.00 C ATOM 232 C HIS A 17 -0.183 8.107 -0.195 1.00 1.00 C ATOM 233 O HIS A 17 -0.084 9.328 -0.083 1.00 1.00 O ATOM 234 CB HIS A 17 -0.916 6.293 1.492 1.00 1.00 C ATOM 235 CG HIS A 17 -0.205 6.783 2.733 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.113 6.999 2.769 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.677 7.092 3.986 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.449 7.427 3.996 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.381 7.502 4.787 1.00 1.00 N ATOM 0 H HIS A 17 -2.215 5.716 -0.478 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.901 8.117 1.037 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.802 5.740 1.804 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.262 5.586 0.982 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.758 6.861 1.991 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.709 7.026 4.299 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.454 7.678 4.301 1.00 1.00 H new ATOM 247 N LYS A 18 0.663 7.345 -0.872 1.00 1.00 N ATOM 248 CA LYS A 18 1.807 7.921 -1.556 1.00 1.00 C ATOM 249 C LYS A 18 1.424 9.292 -2.117 1.00 1.00 C ATOM 250 O LYS A 18 2.243 10.209 -2.139 1.00 1.00 O ATOM 251 CB LYS A 18 2.345 6.953 -2.612 1.00 1.00 C ATOM 252 CG LYS A 18 3.871 6.859 -2.545 1.00 1.00 C ATOM 253 CD LYS A 18 4.417 5.993 -3.681 1.00 1.00 C ATOM 254 CE LYS A 18 5.934 5.833 -3.568 1.00 1.00 C ATOM 255 NZ LYS A 18 6.613 6.506 -4.697 1.00 1.00 N ATOM 0 H LYS A 18 0.579 6.332 -0.961 1.00 1.00 H new ATOM 0 HA LYS A 18 2.627 8.080 -0.856 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.909 5.965 -2.460 1.00 1.00 H new ATOM 0 HB3 LYS A 18 2.041 7.286 -3.604 1.00 1.00 H new ATOM 0 HG2 LYS A 18 4.303 7.858 -2.604 1.00 1.00 H new ATOM 0 HG3 LYS A 18 4.171 6.438 -1.585 1.00 1.00 H new ATOM 0 HD2 LYS A 18 3.942 5.012 -3.656 1.00 1.00 H new ATOM 0 HD3 LYS A 18 4.166 6.445 -4.641 1.00 1.00 H new ATOM 0 HE2 LYS A 18 6.280 6.255 -2.624 1.00 1.00 H new ATOM 0 HE3 LYS A 18 6.194 4.775 -3.559 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 7.642 6.387 -4.604 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 6.296 6.085 -5.594 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 6.379 7.519 -4.688 1.00 1.00 H new ATOM 268 N ALA A 19 0.178 9.388 -2.556 1.00 1.00 N ATOM 269 CA ALA A 19 -0.324 10.632 -3.116 1.00 1.00 C ATOM 270 C ALA A 19 -0.498 11.657 -1.994 1.00 1.00 C ATOM 271 O ALA A 19 -0.083 12.808 -2.121 1.00 1.00 O ATOM 272 CB ALA A 19 -1.630 10.363 -3.868 1.00 1.00 C ATOM 0 H ALA A 19 -0.499 8.625 -2.536 1.00 1.00 H new ATOM 0 HA ALA A 19 0.386 11.045 -3.833 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.007 11.296 -4.288 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.447 9.651 -4.672 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.368 9.951 -3.180 1.00 1.00 H new ATOM 278 N HIS A 20 -1.118 11.202 -0.905 1.00 1.00 N ATOM 279 CA HIS A 20 -1.374 12.033 0.266 1.00 1.00 C ATOM 280 C HIS A 20 -0.064 12.252 1.046 1.00 1.00 C ATOM 281 O HIS A 20 -0.078 12.841 2.126 1.00 1.00 O ATOM 282 CB HIS A 20 -2.502 11.395 1.091 1.00 1.00 C ATOM 283 CG HIS A 20 -3.915 11.641 0.615 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.370 11.183 -0.555 1.00 1.00 N ATOM 285 CD2 HIS A 20 -4.962 12.316 1.196 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.651 11.558 -0.698 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.066 12.260 0.354 1.00 1.00 N ATOM 0 H HIS A 20 -1.457 10.244 -0.812 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.718 13.027 -0.018 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.335 10.318 1.119 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.420 11.757 2.116 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -3.832 10.638 -1.229 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -4.931 12.811 2.155 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.265 11.321 -1.555 1.00 1.00 H new ATOM 295 N GLN A 21 1.027 11.768 0.469 1.00 1.00 N ATOM 296 CA GLN A 21 2.329 11.906 1.097 1.00 1.00 C ATOM 297 C GLN A 21 2.986 13.222 0.672 1.00 1.00 C ATOM 298 O GLN A 21 4.163 13.450 0.951 1.00 1.00 O ATOM 299 CB GLN A 21 3.227 10.713 0.765 1.00 1.00 C ATOM 300 CG GLN A 21 4.081 10.316 1.971 1.00 1.00 C ATOM 301 CD GLN A 21 4.981 11.474 2.410 1.00 1.00 C ATOM 302 OE1 GLN A 21 5.902 11.875 1.717 1.00 1.00 O ATOM 303 NE2 GLN A 21 4.664 11.987 3.595 1.00 1.00 N ATOM 0 H GLN A 21 1.035 11.280 -0.427 1.00 1.00 H new ATOM 0 HA GLN A 21 2.190 11.924 2.178 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.614 9.867 0.455 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.873 10.963 -0.076 1.00 1.00 H new ATOM 0 HG2 GLN A 21 3.435 10.019 2.797 1.00 1.00 H new ATOM 0 HG3 GLN A 21 4.693 9.450 1.719 1.00 1.00 H new ATOM 0 HE21 GLN A 21 3.880 11.604 4.124 1.00 1.00 H new ATOM 0 HE22 GLN A 21 5.204 12.764 3.976 1.00 1.00 H new ATOM 311 N LYS A 22 2.198 14.051 0.005 1.00 1.00 N ATOM 312 CA LYS A 22 2.688 15.337 -0.461 1.00 1.00 C ATOM 313 C LYS A 22 1.503 16.205 -0.890 1.00 1.00 C ATOM 314 O LYS A 22 1.514 16.781 -1.977 1.00 1.00 O ATOM 315 CB LYS A 22 3.739 15.146 -1.556 1.00 1.00 C ATOM 316 CG LYS A 22 4.953 16.045 -1.313 1.00 1.00 C ATOM 317 CD LYS A 22 4.607 17.513 -1.569 1.00 1.00 C ATOM 318 CE LYS A 22 5.484 18.096 -2.680 1.00 1.00 C ATOM 319 NZ LYS A 22 4.644 18.635 -3.773 1.00 1.00 N ATOM 0 H LYS A 22 1.223 13.858 -0.224 1.00 1.00 H new ATOM 0 HA LYS A 22 3.195 15.866 0.346 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.054 14.103 -1.585 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.302 15.374 -2.528 1.00 1.00 H new ATOM 0 HG2 LYS A 22 5.301 15.923 -0.287 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.772 15.741 -1.966 1.00 1.00 H new ATOM 0 HD2 LYS A 22 3.556 17.600 -1.846 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.744 18.088 -0.653 1.00 1.00 H new ATOM 0 HE2 LYS A 22 6.116 18.886 -2.276 1.00 1.00 H new ATOM 0 HE3 LYS A 22 6.148 17.325 -3.070 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 5.254 19.027 -4.519 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.059 17.872 -4.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.028 19.385 -3.400 1.00 1.00 H new ATOM 332 N ALA A 23 0.511 16.270 -0.015 1.00 1.00 N ATOM 333 CA ALA A 23 -0.679 17.057 -0.291 1.00 1.00 C ATOM 334 C ALA A 23 -1.302 17.512 1.031 1.00 1.00 C ATOM 335 O ALA A 23 -2.512 17.719 1.113 1.00 1.00 O ATOM 336 CB ALA A 23 -1.650 16.235 -1.141 1.00 1.00 C ATOM 0 H ALA A 23 0.506 15.791 0.885 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.424 17.951 -0.861 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.542 16.826 -1.348 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.170 15.962 -2.081 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.931 15.331 -0.601 1.00 1.00 H new ATOM 391 N LYS A 28 1.821 15.650 9.504 1.00 1.00 N ATOM 392 CA LYS A 28 1.358 15.184 10.800 1.00 1.00 C ATOM 393 C LYS A 28 -0.050 15.724 11.058 1.00 1.00 C ATOM 394 O LYS A 28 -0.496 15.781 12.202 1.00 1.00 O ATOM 395 CB LYS A 28 2.366 15.548 11.892 1.00 1.00 C ATOM 396 CG LYS A 28 3.729 15.893 11.286 1.00 1.00 C ATOM 397 CD LYS A 28 4.841 15.762 12.330 1.00 1.00 C ATOM 398 CE LYS A 28 5.630 14.467 12.130 1.00 1.00 C ATOM 399 NZ LYS A 28 4.902 13.321 12.719 1.00 1.00 N ATOM 0 HA LYS A 28 1.290 14.096 10.811 1.00 1.00 H new ATOM 0 HB2 LYS A 28 1.994 16.396 12.467 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.473 14.714 12.586 1.00 1.00 H new ATOM 0 HG2 LYS A 28 3.935 15.231 10.445 1.00 1.00 H new ATOM 0 HG3 LYS A 28 3.710 16.910 10.895 1.00 1.00 H new ATOM 0 HD2 LYS A 28 5.514 16.617 12.259 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.409 15.778 13.331 1.00 1.00 H new ATOM 0 HE2 LYS A 28 5.793 14.294 11.066 1.00 1.00 H new ATOM 0 HE3 LYS A 28 6.613 14.558 12.593 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 5.459 12.452 12.590 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 4.753 13.489 13.735 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 3.981 13.215 12.247 1.00 1.00 H new ATOM 412 N LYS A 29 -0.710 16.107 9.974 1.00 1.00 N ATOM 413 CA LYS A 29 -2.058 16.640 10.069 1.00 1.00 C ATOM 414 C LYS A 29 -2.994 15.556 10.604 1.00 1.00 C ATOM 415 O LYS A 29 -3.842 15.826 11.454 1.00 1.00 O ATOM 416 CB LYS A 29 -2.499 17.226 8.726 1.00 1.00 C ATOM 417 CG LYS A 29 -3.924 17.775 8.808 1.00 1.00 C ATOM 418 CD LYS A 29 -4.203 18.748 7.662 1.00 1.00 C ATOM 419 CE LYS A 29 -3.480 20.078 7.883 1.00 1.00 C ATOM 420 NZ LYS A 29 -4.450 21.149 8.203 1.00 1.00 N ATOM 0 H LYS A 29 -0.336 16.059 9.026 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.091 17.468 10.777 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.815 18.022 8.431 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.446 16.457 7.955 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.637 16.952 8.773 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -4.068 18.281 9.763 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.880 18.307 6.719 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -5.276 18.922 7.581 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -2.760 19.977 8.695 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -2.916 20.345 6.989 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -3.942 22.045 8.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -5.121 21.256 7.416 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -4.969 20.900 9.069 1.00 1.00 H new ATOM 433 N CYS A 30 -2.811 14.351 10.085 1.00 1.00 N ATOM 434 CA CYS A 30 -3.628 13.224 10.499 1.00 1.00 C ATOM 435 C CYS A 30 -2.885 12.471 11.604 1.00 1.00 C ATOM 436 O CYS A 30 -3.402 12.296 12.706 1.00 1.00 O ATOM 437 CB CYS A 30 -3.975 12.311 9.321 1.00 1.00 C ATOM 438 SG CYS A 30 -3.883 13.253 7.753 1.00 1.00 S ATOM 0 H CYS A 30 -2.107 14.131 9.380 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.581 13.587 10.885 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -3.286 11.467 9.289 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.976 11.901 9.451 1.00 1.00 H new ATOM 0 HG CYS A 30 -4.177 12.469 6.758 1.00 1.00 H new ATOM 443 N HIS A 31 -1.668 12.039 11.271 1.00 1.00 N ATOM 444 CA HIS A 31 -0.810 11.302 12.192 1.00 1.00 C ATOM 445 C HIS A 31 -0.531 12.159 13.442 1.00 1.00 C ATOM 446 O HIS A 31 -0.852 11.748 14.555 1.00 1.00 O ATOM 447 CB HIS A 31 0.451 10.850 11.442 1.00 1.00 C ATOM 448 CG HIS A 31 0.270 9.783 10.387 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.167 8.554 10.675 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.482 9.805 9.029 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.226 7.837 9.542 1.00 1.00 C ATOM 452 NE2 HIS A 31 0.165 8.562 8.496 1.00 1.00 N ATOM 0 H HIS A 31 -1.251 12.192 10.353 1.00 1.00 H new ATOM 0 HA HIS A 31 -1.298 10.398 12.556 1.00 1.00 H new ATOM 0 HB2 HIS A 31 0.896 11.725 10.968 1.00 1.00 H new ATOM 0 HB3 HIS A 31 1.170 10.484 12.175 1.00 1.00 H new ATOM 0 HD2 HIS A 31 0.839 10.654 8.465 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -0.548 6.808 9.486 1.00 1.00 H new ATOM 0 HE2 HIS A 31 0.220 8.270 7.520 1.00 1.00 H new ATOM 460 N GLU A 32 0.058 13.323 13.210 1.00 1.00 N ATOM 461 CA GLU A 32 0.376 14.229 14.301 1.00 1.00 C ATOM 462 C GLU A 32 1.387 13.582 15.251 1.00 1.00 C ATOM 463 O GLU A 32 2.551 13.977 15.286 1.00 1.00 O ATOM 464 CB GLU A 32 -0.889 14.650 15.051 1.00 1.00 C ATOM 465 CG GLU A 32 -0.741 16.062 15.625 1.00 1.00 C ATOM 466 CD GLU A 32 -2.051 16.534 16.260 1.00 1.00 C ATOM 467 OE1 GLU A 32 -2.754 15.737 16.899 1.00 1.00 O ATOM 468 OE2 GLU A 32 -2.329 17.780 16.072 1.00 1.00 O ATOM 0 H GLU A 32 0.323 13.659 12.284 1.00 1.00 H new ATOM 0 HA GLU A 32 0.826 15.129 13.881 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -1.745 14.615 14.377 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.090 13.945 15.857 1.00 1.00 H new ATOM 0 HG2 GLU A 32 0.054 16.074 16.370 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.447 16.751 14.834 1.00 1.00 H new ATOM 476 N LYS A 33 0.905 12.599 15.996 1.00 1.00 N ATOM 477 CA LYS A 33 1.751 11.893 16.943 1.00 1.00 C ATOM 478 C LYS A 33 2.882 11.194 16.187 1.00 1.00 C ATOM 479 O LYS A 33 4.038 11.604 16.272 1.00 1.00 O ATOM 480 CB LYS A 33 0.915 10.950 17.810 1.00 1.00 C ATOM 481 CG LYS A 33 0.509 11.625 19.121 1.00 1.00 C ATOM 482 CD LYS A 33 -0.532 10.790 19.868 1.00 1.00 C ATOM 483 CE LYS A 33 -1.444 11.680 20.716 1.00 1.00 C ATOM 484 NZ LYS A 33 -1.170 11.478 22.157 1.00 1.00 N ATOM 0 H LYS A 33 -0.061 12.274 15.963 1.00 1.00 H new ATOM 0 HA LYS A 33 2.216 12.595 17.635 1.00 1.00 H new ATOM 0 HB2 LYS A 33 0.023 10.643 17.264 1.00 1.00 H new ATOM 0 HB3 LYS A 33 1.485 10.046 18.024 1.00 1.00 H new ATOM 0 HG2 LYS A 33 1.388 11.764 19.750 1.00 1.00 H new ATOM 0 HG3 LYS A 33 0.105 12.616 18.914 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -1.131 10.225 19.154 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -0.030 10.064 20.507 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -1.288 12.726 20.453 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -2.488 11.450 20.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -1.797 12.089 22.719 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -1.341 10.483 22.407 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -0.179 11.720 22.359 1.00 1.00 H new ATOM 497 N GLY A 34 2.509 10.149 15.462 1.00 1.00 N ATOM 498 CA GLY A 34 3.478 9.388 14.692 1.00 1.00 C ATOM 499 C GLY A 34 2.781 8.509 13.651 1.00 1.00 C ATOM 500 O GLY A 34 1.566 8.550 13.470 1.00 1.00 O ATOM 0 H GLY A 34 1.549 9.812 15.392 1.00 1.00 H new ATOM 0 HA2 GLY A 34 4.169 10.069 14.195 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.071 8.765 15.361 1.00 1.00 H new ATOM 504 N PRO A 35 3.591 7.701 12.962 1.00 1.00 N ATOM 505 CA PRO A 35 3.146 6.786 11.932 1.00 1.00 C ATOM 506 C PRO A 35 2.725 5.469 12.567 1.00 1.00 C ATOM 507 O PRO A 35 2.814 5.343 13.788 1.00 1.00 O ATOM 508 CB PRO A 35 4.363 6.594 11.028 1.00 1.00 C ATOM 509 CG PRO A 35 5.594 7.410 11.749 1.00 1.00 C ATOM 510 CD PRO A 35 5.023 7.627 13.149 1.00 1.00 C ATOM 0 HA PRO A 35 2.287 7.159 11.374 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.606 5.537 10.920 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.171 6.981 10.027 1.00 1.00 H new ATOM 0 HG2 PRO A 35 6.518 6.831 11.766 1.00 1.00 H new ATOM 0 HG3 PRO A 35 5.816 8.350 11.244 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.292 6.808 13.816 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.411 8.543 13.596 1.00 1.00 H new ATOM 518 N GLY A 36 2.281 4.529 11.747 1.00 1.00 N ATOM 519 CA GLY A 36 1.852 3.235 12.251 1.00 1.00 C ATOM 520 C GLY A 36 0.329 3.177 12.386 1.00 1.00 C ATOM 521 O GLY A 36 -0.377 4.045 11.873 1.00 1.00 O ATOM 0 H GLY A 36 2.209 4.637 10.735 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.191 2.448 11.578 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.314 3.047 13.220 1.00 1.00 H new ATOM 525 N LYS A 37 -0.132 2.147 13.078 1.00 1.00 N ATOM 526 CA LYS A 37 -1.559 1.964 13.287 1.00 1.00 C ATOM 527 C LYS A 37 -2.119 3.173 14.040 1.00 1.00 C ATOM 528 O LYS A 37 -2.130 3.190 15.271 1.00 1.00 O ATOM 529 CB LYS A 37 -1.832 0.628 13.980 1.00 1.00 C ATOM 530 CG LYS A 37 -2.967 -0.128 13.285 1.00 1.00 C ATOM 531 CD LYS A 37 -2.694 -0.269 11.786 1.00 1.00 C ATOM 532 CE LYS A 37 -3.304 -1.560 11.236 1.00 1.00 C ATOM 533 NZ LYS A 37 -2.289 -2.336 10.490 1.00 1.00 N ATOM 0 H LYS A 37 0.457 1.430 13.502 1.00 1.00 H new ATOM 0 HA LYS A 37 -2.080 1.913 12.331 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -0.928 0.020 13.974 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -2.092 0.802 15.024 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -3.079 -1.116 13.733 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -3.908 0.400 13.439 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -3.108 0.588 11.255 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -1.619 -0.266 11.607 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -3.699 -2.160 12.055 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -4.143 -1.323 10.581 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -2.720 -3.209 10.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -1.931 -1.767 9.696 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -1.502 -2.578 11.125 1.00 1.00 H new ATOM 546 N ILE A 38 -2.569 4.153 13.271 1.00 1.00 N ATOM 547 CA ILE A 38 -3.128 5.362 13.850 1.00 1.00 C ATOM 548 C ILE A 38 -3.912 5.002 15.114 1.00 1.00 C ATOM 549 O ILE A 38 -4.658 4.024 15.128 1.00 1.00 O ATOM 550 CB ILE A 38 -3.954 6.122 12.810 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.048 6.831 11.801 1.00 1.00 C ATOM 552 CG2 ILE A 38 -4.928 7.090 13.484 1.00 1.00 C ATOM 553 CD1 ILE A 38 -3.787 7.981 11.114 1.00 1.00 C ATOM 0 H ILE A 38 -2.558 4.134 12.251 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.332 6.043 14.151 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.551 5.399 12.254 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.163 7.214 12.308 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -2.703 6.117 11.053 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -5.503 7.617 12.722 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.607 6.533 14.129 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.370 7.811 14.081 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.121 8.468 10.402 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -4.658 7.591 10.587 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.110 8.705 11.862 1.00 1.00 H new ATOM 560 N GLU A 39 -3.714 5.811 16.145 1.00 1.00 N ATOM 561 CA GLU A 39 -4.393 5.590 17.410 1.00 1.00 C ATOM 562 C GLU A 39 -5.782 4.995 17.170 1.00 1.00 C ATOM 563 O GLU A 39 -6.742 5.727 16.936 1.00 1.00 O ATOM 564 CB GLU A 39 -4.483 6.886 18.218 1.00 1.00 C ATOM 565 CG GLU A 39 -4.524 6.594 19.720 1.00 1.00 C ATOM 566 CD GLU A 39 -3.326 7.223 20.433 1.00 1.00 C ATOM 567 OE1 GLU A 39 -2.295 7.490 19.797 1.00 1.00 O ATOM 568 OE2 GLU A 39 -3.493 7.437 21.694 1.00 1.00 O ATOM 0 H GLU A 39 -3.093 6.620 16.130 1.00 1.00 H new ATOM 0 HA GLU A 39 -3.810 4.877 17.993 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -3.627 7.521 17.991 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -5.376 7.439 17.927 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -5.450 6.983 20.145 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -4.525 5.517 19.885 1.00 1.00 H new ATOM 576 N GLY A 40 -5.845 3.673 17.237 1.00 1.00 N ATOM 577 CA GLY A 40 -7.101 2.973 17.030 1.00 1.00 C ATOM 578 C GLY A 40 -8.007 3.744 16.068 1.00 1.00 C ATOM 579 O GLY A 40 -8.870 4.506 16.500 1.00 1.00 O ATOM 0 H GLY A 40 -5.047 3.069 17.432 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -6.905 1.978 16.632 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -7.609 2.840 17.985 1.00 1.00 H new ATOM 583 N PHE A 41 -7.779 3.518 14.783 1.00 1.00 N ATOM 584 CA PHE A 41 -8.564 4.182 13.756 1.00 1.00 C ATOM 585 C PHE A 41 -10.048 3.835 13.891 1.00 1.00 C ATOM 586 O PHE A 41 -10.397 2.707 14.236 1.00 1.00 O ATOM 587 CB PHE A 41 -8.055 3.675 12.405 1.00 1.00 C ATOM 588 CG PHE A 41 -8.682 4.378 11.200 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.025 4.306 10.994 1.00 1.00 C ATOM 590 CD2 PHE A 41 -7.898 5.073 10.333 1.00 1.00 C ATOM 591 CE1 PHE A 41 -10.608 4.958 9.875 1.00 1.00 C ATOM 592 CE2 PHE A 41 -8.481 5.725 9.215 1.00 1.00 C ATOM 593 CZ PHE A 41 -9.823 5.654 9.009 1.00 1.00 C ATOM 0 H PHE A 41 -7.062 2.885 14.429 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.461 5.263 13.850 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -6.973 3.803 12.365 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.253 2.606 12.332 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -10.648 3.753 11.682 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -6.832 5.129 10.495 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -11.674 4.901 9.712 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -7.858 6.278 8.527 1.00 1.00 H new ATOM 0 HZ PHE A 41 -10.266 6.150 8.158 1.00 1.00 H new ATOM 603 N GLY A 42 -10.883 4.825 13.611 1.00 1.00 N ATOM 604 CA GLY A 42 -12.321 4.639 13.696 1.00 1.00 C ATOM 605 C GLY A 42 -13.013 5.114 12.416 1.00 1.00 C ATOM 606 O GLY A 42 -12.470 5.938 11.682 1.00 1.00 O ATOM 0 H GLY A 42 -10.590 5.759 13.325 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.546 3.586 13.866 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.712 5.190 14.551 1.00 1.00 H new ATOM 610 N LYS A 43 -14.201 4.573 12.189 1.00 1.00 N ATOM 611 CA LYS A 43 -14.972 4.931 11.010 1.00 1.00 C ATOM 612 C LYS A 43 -15.517 6.352 11.175 1.00 1.00 C ATOM 613 O LYS A 43 -15.242 7.224 10.351 1.00 1.00 O ATOM 614 CB LYS A 43 -16.056 3.886 10.741 1.00 1.00 C ATOM 615 CG LYS A 43 -15.475 2.470 10.783 1.00 1.00 C ATOM 616 CD LYS A 43 -14.836 2.099 9.444 1.00 1.00 C ATOM 617 CE LYS A 43 -13.536 2.876 9.222 1.00 1.00 C ATOM 618 NZ LYS A 43 -13.748 3.975 8.253 1.00 1.00 N ATOM 0 H LYS A 43 -14.648 3.890 12.801 1.00 1.00 H new ATOM 0 HA LYS A 43 -14.336 4.933 10.125 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -16.849 3.980 11.483 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -16.508 4.069 9.766 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -14.731 2.402 11.576 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -16.263 1.757 11.024 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -14.633 1.028 9.418 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -15.533 2.311 8.633 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.182 3.282 10.170 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -12.761 2.203 8.854 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.003 4.691 8.372 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -13.713 3.596 7.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -14.677 4.411 8.420 1.00 1.00 H new ATOM 631 N GLU A 44 -16.277 6.541 12.242 1.00 1.00 N ATOM 632 CA GLU A 44 -16.862 7.839 12.525 1.00 1.00 C ATOM 633 C GLU A 44 -15.867 8.953 12.192 1.00 1.00 C ATOM 634 O GLU A 44 -16.246 9.984 11.638 1.00 1.00 O ATOM 635 CB GLU A 44 -17.318 7.931 13.983 1.00 1.00 C ATOM 636 CG GLU A 44 -17.006 9.308 14.570 1.00 1.00 C ATOM 637 CD GLU A 44 -17.353 9.360 16.059 1.00 1.00 C ATOM 638 OE1 GLU A 44 -18.108 8.509 16.550 1.00 1.00 O ATOM 639 OE2 GLU A 44 -16.805 10.329 16.713 1.00 1.00 O ATOM 0 H GLU A 44 -16.502 5.815 12.922 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.743 7.963 11.895 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.389 7.740 14.045 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.822 7.160 14.572 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -15.949 9.536 14.431 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -17.570 10.072 14.035 1.00 1.00 H new ATOM 647 N MET A 45 -14.613 8.708 12.543 1.00 1.00 N ATOM 648 CA MET A 45 -13.561 9.677 12.288 1.00 1.00 C ATOM 649 C MET A 45 -13.355 9.880 10.787 1.00 1.00 C ATOM 650 O MET A 45 -13.147 11.003 10.331 1.00 1.00 O ATOM 651 CB MET A 45 -12.255 9.192 12.922 1.00 1.00 C ATOM 652 CG MET A 45 -11.631 10.283 13.794 1.00 1.00 C ATOM 653 SD MET A 45 -12.330 10.229 15.435 1.00 1.00 S ATOM 654 CE MET A 45 -11.541 8.753 16.059 1.00 1.00 C ATOM 0 H MET A 45 -14.302 7.852 13.002 1.00 1.00 H new ATOM 0 HA MET A 45 -13.856 10.630 12.727 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.447 8.305 13.525 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.553 8.900 12.140 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.551 10.145 13.845 1.00 1.00 H new ATOM 0 HG3 MET A 45 -11.807 11.262 13.347 1.00 1.00 H new ATOM 0 HE1 MET A 45 -12.302 8.027 16.346 1.00 1.00 H new ATOM 0 HE2 MET A 45 -10.905 8.325 15.284 1.00 1.00 H new ATOM 0 HE3 MET A 45 -10.933 9.005 16.928 1.00 1.00 H new ATOM 664 N ALA A 46 -13.419 8.775 10.058 1.00 1.00 N ATOM 665 CA ALA A 46 -13.242 8.817 8.617 1.00 1.00 C ATOM 666 C ALA A 46 -14.102 9.941 8.034 1.00 1.00 C ATOM 667 O ALA A 46 -13.584 10.917 7.496 1.00 1.00 O ATOM 668 CB ALA A 46 -13.585 7.451 8.019 1.00 1.00 C ATOM 0 H ALA A 46 -13.591 7.845 10.439 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.203 9.031 8.365 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.452 7.483 6.938 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -12.927 6.693 8.443 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.621 7.203 8.250 1.00 1.00 H new ATOM 674 N HIS A 47 -15.418 9.767 8.161 1.00 1.00 N ATOM 675 CA HIS A 47 -16.396 10.730 7.668 1.00 1.00 C ATOM 676 C HIS A 47 -16.221 12.071 8.404 1.00 1.00 C ATOM 677 O HIS A 47 -16.796 13.079 7.996 1.00 1.00 O ATOM 678 CB HIS A 47 -17.800 10.121 7.790 1.00 1.00 C ATOM 679 CG HIS A 47 -17.998 8.747 7.192 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.589 7.750 7.860 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.663 8.236 5.961 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.620 6.662 7.075 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.061 6.906 5.891 1.00 1.00 N ATOM 0 H HIS A 47 -15.834 8.951 8.610 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.242 10.949 6.611 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.059 10.072 8.848 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.509 10.802 7.319 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.168 8.782 5.172 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.043 5.712 7.366 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -17.950 6.261 5.108 1.00 1.00 H new ATOM 691 N GLY A 48 -15.430 12.037 9.466 1.00 1.00 N ATOM 692 CA GLY A 48 -15.179 13.233 10.251 1.00 1.00 C ATOM 693 C GLY A 48 -14.018 14.039 9.665 1.00 1.00 C ATOM 694 O GLY A 48 -13.940 14.232 8.453 1.00 1.00 O ATOM 0 H GLY A 48 -14.954 11.199 9.801 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.077 13.850 10.278 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.951 12.956 11.280 1.00 1.00 H new ATOM 698 N LYS A 49 -13.143 14.487 10.554 1.00 1.00 N ATOM 699 CA LYS A 49 -11.989 15.268 10.140 1.00 1.00 C ATOM 700 C LYS A 49 -10.766 14.353 10.050 1.00 1.00 C ATOM 701 O LYS A 49 -9.741 14.618 10.678 1.00 1.00 O ATOM 702 CB LYS A 49 -11.793 16.468 11.070 1.00 1.00 C ATOM 703 CG LYS A 49 -10.411 17.093 10.873 1.00 1.00 C ATOM 704 CD LYS A 49 -10.493 18.621 10.886 1.00 1.00 C ATOM 705 CE LYS A 49 -9.138 19.241 11.229 1.00 1.00 C ATOM 706 NZ LYS A 49 -9.304 20.351 12.193 1.00 1.00 N ATOM 0 H LYS A 49 -13.210 14.324 11.559 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.148 15.687 9.146 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.564 17.213 10.876 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -11.909 16.152 12.107 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -9.739 16.755 11.662 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -9.987 16.756 9.927 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -10.824 18.979 9.911 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -11.238 18.942 11.614 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -8.480 18.481 11.651 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -8.660 19.609 10.321 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -8.374 20.760 12.415 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -9.914 21.083 11.777 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.740 19.991 13.066 1.00 1.00 H new ATOM 719 N GLY A 50 -10.913 13.297 9.265 1.00 1.00 N ATOM 720 CA GLY A 50 -9.833 12.342 9.085 1.00 1.00 C ATOM 721 C GLY A 50 -10.024 11.535 7.799 1.00 1.00 C ATOM 722 O GLY A 50 -9.579 10.392 7.708 1.00 1.00 O ATOM 0 H GLY A 50 -11.764 13.081 8.746 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.879 12.868 9.050 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.793 11.667 9.940 1.00 1.00 H new ATOM 726 N CYS A 51 -10.686 12.161 6.838 1.00 1.00 N ATOM 727 CA CYS A 51 -10.941 11.515 5.561 1.00 1.00 C ATOM 728 C CYS A 51 -11.755 12.475 4.690 1.00 1.00 C ATOM 729 O CYS A 51 -11.221 13.083 3.765 1.00 1.00 O ATOM 730 CB CYS A 51 -11.647 10.170 5.740 1.00 1.00 C ATOM 731 SG CYS A 51 -11.167 8.884 4.529 1.00 1.00 S ATOM 0 H CYS A 51 -11.054 13.109 6.917 1.00 1.00 H new ATOM 0 HA CYS A 51 -9.995 11.293 5.068 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.442 9.799 6.744 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.723 10.329 5.673 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.823 7.789 4.776 1.00 1.00 H new ATOM 736 N LYS A 52 -13.034 12.581 5.020 1.00 1.00 N ATOM 737 CA LYS A 52 -13.926 13.457 4.280 1.00 1.00 C ATOM 738 C LYS A 52 -13.756 14.893 4.781 1.00 1.00 C ATOM 739 O LYS A 52 -13.590 15.817 3.986 1.00 1.00 O ATOM 740 CB LYS A 52 -15.366 12.945 4.356 1.00 1.00 C ATOM 741 CG LYS A 52 -16.288 13.762 3.449 1.00 1.00 C ATOM 742 CD LYS A 52 -17.685 13.889 4.060 1.00 1.00 C ATOM 743 CE LYS A 52 -17.694 14.903 5.205 1.00 1.00 C ATOM 744 NZ LYS A 52 -18.699 14.527 6.223 1.00 1.00 N ATOM 0 H LYS A 52 -13.473 12.075 5.789 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.668 13.456 3.221 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.398 11.896 4.063 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.721 12.999 5.385 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.864 14.754 3.292 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -16.357 13.286 2.471 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -18.395 14.196 3.292 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -18.014 12.917 4.428 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -16.706 14.953 5.662 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -17.916 15.897 4.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -19.136 15.386 6.613 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -19.432 13.934 5.784 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -18.236 13.996 6.988 1.00 1.00 H new ATOM 757 N GLY A 53 -13.806 15.036 6.097 1.00 1.00 N ATOM 758 CA GLY A 53 -13.660 16.343 6.715 1.00 1.00 C ATOM 759 C GLY A 53 -12.659 17.205 5.943 1.00 1.00 C ATOM 760 O GLY A 53 -13.032 18.215 5.350 1.00 1.00 O ATOM 0 H GLY A 53 -13.946 14.268 6.753 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -14.628 16.844 6.748 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.326 16.227 7.746 1.00 1.00 H new ATOM 764 N CYS A 54 -11.406 16.773 5.976 1.00 1.00 N ATOM 765 CA CYS A 54 -10.349 17.493 5.287 1.00 1.00 C ATOM 766 C CYS A 54 -10.916 18.043 3.977 1.00 1.00 C ATOM 767 O CYS A 54 -10.984 19.254 3.779 1.00 1.00 O ATOM 768 CB CYS A 54 -9.124 16.608 5.051 1.00 1.00 C ATOM 769 SG CYS A 54 -7.610 17.635 4.999 1.00 1.00 S ATOM 0 H CYS A 54 -11.100 15.934 6.469 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.005 18.320 5.908 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.043 15.866 5.845 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.235 16.062 4.114 1.00 1.00 H new ATOM 0 HG CYS A 54 -6.575 16.873 4.800 1.00 1.00 H new ATOM 774 N HIS A 55 -11.316 17.118 3.104 1.00 1.00 N ATOM 775 CA HIS A 55 -11.883 17.451 1.802 1.00 1.00 C ATOM 776 C HIS A 55 -12.930 18.569 1.961 1.00 1.00 C ATOM 777 O HIS A 55 -12.925 19.533 1.197 1.00 1.00 O ATOM 778 CB HIS A 55 -12.423 16.168 1.152 1.00 1.00 C ATOM 779 CG HIS A 55 -11.463 15.005 1.046 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.865 13.732 1.112 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.100 14.968 0.875 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.795 12.932 0.987 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.679 13.644 0.838 1.00 1.00 N ATOM 0 H HIS A 55 -11.255 16.116 3.283 1.00 1.00 H new ATOM 0 HA HIS A 55 -11.125 17.849 1.127 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.294 15.840 1.719 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.770 16.415 0.149 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.458 15.831 0.784 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -10.833 11.853 1.005 1.00 1.00 H new ATOM 0 HE2 HIS A 55 -8.727 13.295 0.722 1.00 1.00 H new ATOM 791 N GLU A 56 -13.792 18.401 2.953 1.00 1.00 N ATOM 792 CA GLU A 56 -14.832 19.382 3.214 1.00 1.00 C ATOM 793 C GLU A 56 -14.227 20.644 3.831 1.00 1.00 C ATOM 794 O GLU A 56 -14.829 21.716 3.776 1.00 1.00 O ATOM 795 CB GLU A 56 -15.922 18.799 4.116 1.00 1.00 C ATOM 796 CG GLU A 56 -17.077 19.787 4.290 1.00 1.00 C ATOM 797 CD GLU A 56 -18.421 19.057 4.334 1.00 1.00 C ATOM 798 OE1 GLU A 56 -19.051 18.857 3.284 1.00 1.00 O ATOM 799 OE2 GLU A 56 -18.805 18.693 5.510 1.00 1.00 O ATOM 0 H GLU A 56 -13.792 17.601 3.585 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.297 19.651 2.266 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.296 17.869 3.686 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.500 18.553 5.090 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.938 20.356 5.209 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -17.075 20.503 3.468 1.00 1.00 H new ATOM 807 N GLU A 57 -13.044 20.476 4.404 1.00 1.00 N ATOM 808 CA GLU A 57 -12.352 21.589 5.031 1.00 1.00 C ATOM 809 C GLU A 57 -11.489 22.324 4.003 1.00 1.00 C ATOM 810 O GLU A 57 -11.756 23.479 3.675 1.00 1.00 O ATOM 811 CB GLU A 57 -11.508 21.113 6.215 1.00 1.00 C ATOM 812 CG GLU A 57 -11.592 22.100 7.382 1.00 1.00 C ATOM 813 CD GLU A 57 -10.213 22.675 7.714 1.00 1.00 C ATOM 814 OE1 GLU A 57 -9.942 23.847 7.411 1.00 1.00 O ATOM 815 OE2 GLU A 57 -9.411 21.859 8.307 1.00 1.00 O ATOM 0 H GLU A 57 -12.547 19.586 4.447 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.098 22.285 5.415 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -11.852 20.131 6.540 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.470 21.000 5.904 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -12.277 22.910 7.130 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -12.001 21.598 8.259 1.00 1.00 H new ATOM 823 N MET A 58 -10.471 21.623 3.524 1.00 1.00 N ATOM 824 CA MET A 58 -9.568 22.195 2.540 1.00 1.00 C ATOM 825 C MET A 58 -10.304 22.510 1.236 1.00 1.00 C ATOM 826 O MET A 58 -9.830 23.306 0.427 1.00 1.00 O ATOM 827 CB MET A 58 -8.430 21.211 2.259 1.00 1.00 C ATOM 828 CG MET A 58 -7.096 21.944 2.106 1.00 1.00 C ATOM 829 SD MET A 58 -5.871 21.213 3.178 1.00 1.00 S ATOM 830 CE MET A 58 -4.807 22.623 3.439 1.00 1.00 C ATOM 0 H MET A 58 -10.252 20.665 3.799 1.00 1.00 H new ATOM 0 HA MET A 58 -9.166 23.125 2.941 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.361 20.488 3.072 1.00 1.00 H new ATOM 0 HB3 MET A 58 -8.646 20.649 1.350 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.761 21.894 1.070 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.221 22.999 2.350 1.00 1.00 H new ATOM 0 HE1 MET A 58 -3.982 22.340 4.092 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.412 22.963 2.482 1.00 1.00 H new ATOM 0 HE3 MET A 58 -5.377 23.428 3.902 1.00 1.00 H new ATOM 840 N LYS A 59 -11.452 21.869 1.073 1.00 1.00 N ATOM 841 CA LYS A 59 -12.259 22.070 -0.118 1.00 1.00 C ATOM 842 C LYS A 59 -11.545 21.453 -1.323 1.00 1.00 C ATOM 843 O LYS A 59 -11.448 22.078 -2.378 1.00 1.00 O ATOM 844 CB LYS A 59 -12.593 23.553 -0.295 1.00 1.00 C ATOM 845 CG LYS A 59 -14.045 23.838 0.094 1.00 1.00 C ATOM 846 CD LYS A 59 -14.145 25.099 0.955 1.00 1.00 C ATOM 847 CE LYS A 59 -15.280 24.978 1.973 1.00 1.00 C ATOM 848 NZ LYS A 59 -16.594 25.095 1.301 1.00 1.00 N ATOM 0 H LYS A 59 -11.842 21.210 1.746 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.217 21.560 -0.019 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -11.923 24.156 0.318 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -12.426 23.846 -1.332 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -14.649 23.959 -0.805 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -14.453 22.987 0.640 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -13.201 25.265 1.475 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -14.314 25.967 0.317 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -15.213 24.020 2.489 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -15.182 25.756 2.730 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -17.353 25.011 2.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -16.661 26.019 0.829 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -16.692 24.338 0.595 1.00 1.00 H new ATOM 861 N LYS A 60 -11.064 20.234 -1.125 1.00 1.00 N ATOM 862 CA LYS A 60 -10.363 19.526 -2.181 1.00 1.00 C ATOM 863 C LYS A 60 -10.452 18.020 -1.927 1.00 1.00 C ATOM 864 O LYS A 60 -10.203 17.559 -0.814 1.00 1.00 O ATOM 865 CB LYS A 60 -8.929 20.043 -2.313 1.00 1.00 C ATOM 866 CG LYS A 60 -8.336 20.370 -0.941 1.00 1.00 C ATOM 867 CD LYS A 60 -6.847 20.702 -1.052 1.00 1.00 C ATOM 868 CE LYS A 60 -6.636 22.196 -1.307 1.00 1.00 C ATOM 869 NZ LYS A 60 -6.492 22.459 -2.756 1.00 1.00 N ATOM 0 H LYS A 60 -11.146 19.719 -0.248 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.836 19.716 -3.145 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.313 19.294 -2.810 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.916 20.934 -2.941 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.869 21.214 -0.503 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.474 19.522 -0.270 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.336 20.410 -0.134 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.401 20.125 -1.862 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.480 22.761 -0.911 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.746 22.539 -0.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -5.502 22.698 -2.969 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.766 21.611 -3.292 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.106 23.253 -3.027 1.00 1.00 H new ATOM 882 N GLY A 61 -10.810 17.294 -2.977 1.00 1.00 N ATOM 883 CA GLY A 61 -10.936 15.850 -2.879 1.00 1.00 C ATOM 884 C GLY A 61 -12.382 15.408 -3.114 1.00 1.00 C ATOM 885 O GLY A 61 -13.292 16.217 -3.280 1.00 1.00 O ATOM 0 H GLY A 61 -11.016 17.679 -3.899 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.283 15.374 -3.611 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.606 15.519 -1.894 1.00 1.00 H new ATOM 889 N PRO A 62 -12.574 14.087 -3.121 1.00 1.00 N ATOM 890 CA PRO A 62 -13.858 13.451 -3.323 1.00 1.00 C ATOM 891 C PRO A 62 -14.635 13.442 -2.014 1.00 1.00 C ATOM 892 O PRO A 62 -14.039 13.172 -0.972 1.00 1.00 O ATOM 893 CB PRO A 62 -13.525 12.029 -3.772 1.00 1.00 C ATOM 894 CG PRO A 62 -11.913 11.936 -3.828 1.00 1.00 C ATOM 895 CD PRO A 62 -11.527 13.108 -2.929 1.00 1.00 C ATOM 0 HA PRO A 62 -14.477 13.968 -4.057 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -13.933 11.296 -3.076 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.961 11.818 -4.749 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -11.541 10.984 -3.449 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.528 12.048 -4.841 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.461 12.800 -1.885 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.553 13.513 -3.204 1.00 1.00 H new ATOM 903 N THR A 63 -15.925 13.734 -2.086 1.00 1.00 N ATOM 904 CA THR A 63 -16.755 13.755 -0.894 1.00 1.00 C ATOM 905 C THR A 63 -17.846 12.686 -0.985 1.00 1.00 C ATOM 906 O THR A 63 -18.221 12.089 0.023 1.00 1.00 O ATOM 907 CB THR A 63 -17.307 15.172 -0.728 1.00 1.00 C ATOM 908 OG1 THR A 63 -17.519 15.622 -2.063 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.266 16.144 -0.168 1.00 1.00 C ATOM 0 H THR A 63 -16.416 13.958 -2.952 1.00 1.00 H new ATOM 0 HA THR A 63 -16.175 13.509 -0.004 1.00 1.00 H new ATOM 0 HB THR A 63 -18.174 15.148 -0.068 1.00 1.00 H new ATOM 0 HG1 THR A 63 -17.878 16.534 -2.048 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.709 17.135 -0.070 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.933 15.797 0.810 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.413 16.193 -0.845 1.00 1.00 H new ATOM 915 N LYS A 64 -18.324 12.476 -2.204 1.00 1.00 N ATOM 916 CA LYS A 64 -19.364 11.489 -2.439 1.00 1.00 C ATOM 917 C LYS A 64 -18.882 10.121 -1.951 1.00 1.00 C ATOM 918 O LYS A 64 -17.680 9.888 -1.834 1.00 1.00 O ATOM 919 CB LYS A 64 -19.792 11.502 -3.908 1.00 1.00 C ATOM 920 CG LYS A 64 -20.598 12.762 -4.232 1.00 1.00 C ATOM 921 CD LYS A 64 -22.079 12.564 -3.905 1.00 1.00 C ATOM 922 CE LYS A 64 -22.743 13.893 -3.538 1.00 1.00 C ATOM 923 NZ LYS A 64 -22.289 14.347 -2.204 1.00 1.00 N ATOM 0 H LYS A 64 -18.010 12.972 -3.038 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.259 11.735 -1.868 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.911 11.455 -4.548 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -20.391 10.617 -4.124 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -20.206 13.605 -3.663 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.485 13.009 -5.288 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -22.588 12.124 -4.762 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -22.182 11.862 -3.078 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -22.501 14.647 -4.287 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -23.827 13.778 -3.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -22.977 15.023 -1.815 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -22.209 13.529 -1.567 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -21.361 14.809 -2.292 1.00 1.00 H new ATOM 936 N CYS A 65 -19.845 9.252 -1.682 1.00 1.00 N ATOM 937 CA CYS A 65 -19.534 7.914 -1.210 1.00 1.00 C ATOM 938 C CYS A 65 -18.866 7.144 -2.351 1.00 1.00 C ATOM 939 O CYS A 65 -17.713 6.733 -2.236 1.00 1.00 O ATOM 940 CB CYS A 65 -20.779 7.194 -0.689 1.00 1.00 C ATOM 941 SG CYS A 65 -22.121 8.299 -0.116 1.00 1.00 S ATOM 0 H CYS A 65 -20.841 9.449 -1.782 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.849 7.975 -0.364 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.168 6.553 -1.480 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.487 6.543 0.135 1.00 1.00 H new ATOM 0 HG CYS A 65 -23.124 7.584 0.300 1.00 1.00 H new ATOM 946 N GLY A 66 -19.621 6.973 -3.427 1.00 1.00 N ATOM 947 CA GLY A 66 -19.116 6.261 -4.589 1.00 1.00 C ATOM 948 C GLY A 66 -17.674 6.667 -4.898 1.00 1.00 C ATOM 949 O GLY A 66 -16.919 5.894 -5.486 1.00 1.00 O ATOM 0 H GLY A 66 -20.578 7.315 -3.518 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.165 5.187 -4.411 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.749 6.470 -5.451 1.00 1.00 H new ATOM 953 N GLU A 67 -17.335 7.882 -4.488 1.00 1.00 N ATOM 954 CA GLU A 67 -15.996 8.399 -4.714 1.00 1.00 C ATOM 955 C GLU A 67 -14.990 7.683 -3.812 1.00 1.00 C ATOM 956 O GLU A 67 -13.885 7.357 -4.244 1.00 1.00 O ATOM 957 CB GLU A 67 -15.950 9.913 -4.493 1.00 1.00 C ATOM 958 CG GLU A 67 -16.775 10.648 -5.553 1.00 1.00 C ATOM 959 CD GLU A 67 -15.997 10.768 -6.865 1.00 1.00 C ATOM 960 OE1 GLU A 67 -15.384 11.815 -7.128 1.00 1.00 O ATOM 961 OE2 GLU A 67 -16.043 9.727 -7.624 1.00 1.00 O ATOM 0 H GLU A 67 -17.964 8.521 -4.002 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.724 8.207 -5.752 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.332 10.151 -3.500 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.917 10.258 -4.528 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.709 10.114 -5.727 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -17.039 11.641 -5.190 1.00 1.00 H new ATOM 969 N CYS A 68 -15.406 7.460 -2.575 1.00 1.00 N ATOM 970 CA CYS A 68 -14.556 6.788 -1.607 1.00 1.00 C ATOM 971 C CYS A 68 -14.850 5.289 -1.668 1.00 1.00 C ATOM 972 O CYS A 68 -13.939 4.470 -1.766 1.00 1.00 O ATOM 973 CB CYS A 68 -14.747 7.351 -0.197 1.00 1.00 C ATOM 974 SG CYS A 68 -13.516 8.665 0.125 1.00 1.00 S ATOM 0 H CYS A 68 -16.322 7.733 -2.220 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.509 6.962 -1.857 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.755 7.752 -0.090 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.641 6.554 0.539 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.689 9.137 1.324 1.00 1.00 H new ATOM 979 N HIS A 69 -16.143 4.965 -1.607 1.00 1.00 N ATOM 980 CA HIS A 69 -16.617 3.586 -1.651 1.00 1.00 C ATOM 981 C HIS A 69 -16.886 3.175 -3.111 1.00 1.00 C ATOM 982 O HIS A 69 -17.437 3.958 -3.882 1.00 1.00 O ATOM 983 CB HIS A 69 -17.831 3.449 -0.722 1.00 1.00 C ATOM 984 CG HIS A 69 -17.601 3.736 0.745 1.00 1.00 C ATOM 985 ND1 HIS A 69 -16.893 2.924 1.534 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.012 4.779 1.539 1.00 1.00 C ATOM 987 CE1 HIS A 69 -16.864 3.439 2.772 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.539 4.586 2.832 1.00 1.00 N ATOM 0 H HIS A 69 -16.890 5.655 -1.526 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.862 2.892 -1.283 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.612 4.120 -1.081 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.216 2.433 -0.813 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.447 2.054 1.243 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.609 5.617 1.210 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.359 2.983 3.611 1.00 1.00 H new ATOM 996 N LYS A 70 -16.487 1.954 -3.438 1.00 1.00 N ATOM 997 CA LYS A 70 -16.681 1.439 -4.783 1.00 1.00 C ATOM 998 C LYS A 70 -18.012 0.687 -4.849 1.00 1.00 C ATOM 999 O LYS A 70 -18.100 -0.466 -4.432 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.478 0.598 -5.212 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.888 -0.463 -6.237 1.00 1.00 C ATOM 1002 CD LYS A 70 -14.751 -0.743 -7.222 1.00 1.00 C ATOM 1003 CE LYS A 70 -15.299 -1.198 -8.575 1.00 1.00 C ATOM 1004 NZ LYS A 70 -14.515 -2.342 -9.093 1.00 1.00 N ATOM 0 H LYS A 70 -16.031 1.307 -2.795 1.00 1.00 H new ATOM 0 HA LYS A 70 -16.741 2.258 -5.500 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -14.712 1.245 -5.639 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -15.038 0.115 -4.340 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -16.163 -1.384 -5.722 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -16.770 -0.126 -6.781 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -14.149 0.156 -7.353 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.093 -1.511 -6.815 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -16.346 -1.483 -8.473 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -15.262 -0.372 -9.286 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -14.900 -2.639 -10.012 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -13.521 -2.058 -9.209 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -14.572 -3.134 -8.422 1.00 1.00 H new ATOM 1017 N LYS A 71 -19.016 1.373 -5.377 1.00 1.00 N ATOM 1018 CA LYS A 71 -20.339 0.785 -5.503 1.00 1.00 C ATOM 1019 C LYS A 71 -20.801 0.889 -6.958 1.00 1.00 C ATOM 1020 O LYS A 71 -20.099 1.448 -7.799 1.00 1.00 O ATOM 1021 CB LYS A 71 -21.306 1.421 -4.503 1.00 1.00 C ATOM 1022 CG LYS A 71 -21.405 0.584 -3.227 1.00 1.00 C ATOM 1023 CD LYS A 71 -22.581 1.041 -2.360 1.00 1.00 C ATOM 1024 CE LYS A 71 -23.192 -0.136 -1.599 1.00 1.00 C ATOM 1025 NZ LYS A 71 -24.668 -0.028 -1.572 1.00 1.00 N ATOM 0 H LYS A 71 -18.940 2.330 -5.722 1.00 1.00 H new ATOM 0 HA LYS A 71 -20.311 -0.275 -5.252 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -20.969 2.428 -4.256 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -22.293 1.517 -4.957 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -21.527 -0.468 -3.486 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -20.477 0.667 -2.661 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -22.243 1.799 -1.654 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -23.341 1.506 -2.988 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -22.899 -1.073 -2.072 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -22.805 -0.158 -0.580 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -25.066 -0.836 -1.051 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -24.943 0.857 -1.100 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -25.034 -0.030 -2.545 1.00 1.00 H new