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= -0.116 K(o=-0.097,f=-0.7) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.0186 X(o=-0.097,f=-0.3) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -2.16 K(o=-6.3,f=-7.7!) USER MOD Set 2.2: A 55 HIS :FLIP no HD1:sc= -4.19! C(o=-7.4!,f=-6.3!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 0 K(o=-3.3,f=-4.4) USER MOD Set 3.2: A 31 HIS :FLIP no HE2:sc= -3.31! C(o=-4.8!,f=-3.3!) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.0165 (180deg=-0.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.9) USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -9.18! (180deg=-10.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -2.31 K(o=-2.3,f=-3.9!) 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= -0.772 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -135:sc= -3.31 (180deg=-6.98!) USER MOD Single : A 43 LYS NZ :NH3+ 144:sc= -0.651 (180deg=-2.29!) 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+ -175:sc= 0.203 (180deg=0.195) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.225 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+ -159:sc= -0.0144 (180deg=-0.233) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 1.903 2.812 -2.229 1.00 1.00 N ATOM 12 CA ASP A 2 1.343 4.027 -2.795 1.00 1.00 C ATOM 13 C ASP A 2 -0.178 4.005 -2.637 1.00 1.00 C ATOM 14 O ASP A 2 -0.817 5.055 -2.598 1.00 1.00 O ATOM 15 CB ASP A 2 1.662 4.137 -4.288 1.00 1.00 C ATOM 16 CG ASP A 2 0.715 3.364 -5.209 1.00 1.00 C ATOM 17 OD1 ASP A 2 0.129 3.933 -6.143 1.00 1.00 O ATOM 18 OD2 ASP A 2 0.587 2.112 -4.933 1.00 1.00 O ATOM 0 HA ASP A 2 1.780 4.876 -2.269 1.00 1.00 H new ATOM 0 HB2 ASP A 2 1.643 5.189 -4.572 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.678 3.780 -4.455 1.00 1.00 H new ATOM 24 N ASP A 3 -0.714 2.797 -2.548 1.00 1.00 N ATOM 25 CA ASP A 3 -2.149 2.624 -2.394 1.00 1.00 C ATOM 26 C ASP A 3 -2.427 1.803 -1.134 1.00 1.00 C ATOM 27 O ASP A 3 -1.789 0.777 -0.904 1.00 1.00 O ATOM 28 CB ASP A 3 -2.744 1.874 -3.587 1.00 1.00 C ATOM 29 CG ASP A 3 -1.995 0.603 -3.993 1.00 1.00 C ATOM 30 OD1 ASP A 3 -1.477 -0.132 -3.138 1.00 1.00 O ATOM 31 OD2 ASP A 3 -1.954 0.375 -5.261 1.00 1.00 O ATOM 0 H ASP A 3 -0.181 1.928 -2.580 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.602 3.613 -2.326 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -3.775 1.610 -3.353 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -2.774 2.549 -4.443 1.00 1.00 H new ATOM 37 N ILE A 4 -3.381 2.284 -0.351 1.00 1.00 N ATOM 38 CA ILE A 4 -3.752 1.608 0.881 1.00 1.00 C ATOM 39 C ILE A 4 -5.253 1.314 0.865 1.00 1.00 C ATOM 40 O ILE A 4 -6.069 2.234 0.878 1.00 1.00 O ATOM 41 CB ILE A 4 -3.297 2.420 2.096 1.00 1.00 C ATOM 42 CG1 ILE A 4 -1.881 2.963 1.895 1.00 1.00 C ATOM 43 CG2 ILE A 4 -3.418 1.598 3.381 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.123 3.022 3.222 1.00 1.00 C ATOM 0 H ILE A 4 -3.909 3.135 -0.546 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.240 0.649 0.958 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.959 3.280 2.199 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.341 2.329 1.192 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.929 3.959 1.455 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.088 2.198 4.229 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -4.457 1.302 3.527 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -2.795 0.707 3.303 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.119 3.411 3.051 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -1.653 3.676 3.915 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.056 2.021 3.648 1.00 1.00 H new ATOM 51 N VAL A 5 -5.571 0.028 0.835 1.00 1.00 N ATOM 52 CA VAL A 5 -6.959 -0.399 0.816 1.00 1.00 C ATOM 53 C VAL A 5 -7.459 -0.560 2.254 1.00 1.00 C ATOM 54 O VAL A 5 -6.871 -1.303 3.040 1.00 1.00 O ATOM 55 CB VAL A 5 -7.103 -1.677 -0.013 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.513 -2.256 0.113 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.743 -1.423 -1.479 1.00 1.00 C ATOM 0 H VAL A 5 -4.891 -0.732 0.823 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.583 0.355 0.337 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.402 -2.413 0.381 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.588 -3.164 -0.486 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.717 -2.492 1.157 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.239 -1.525 -0.243 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.854 -2.347 -2.046 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.407 -0.663 -1.890 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.711 -1.078 -1.546 1.00 1.00 H new ATOM 63 N LEU A 6 -8.538 0.147 2.555 1.00 1.00 N ATOM 64 CA LEU A 6 -9.122 0.092 3.884 1.00 1.00 C ATOM 65 C LEU A 6 -10.259 -0.932 3.893 1.00 1.00 C ATOM 66 O LEU A 6 -11.431 -0.564 3.805 1.00 1.00 O ATOM 67 CB LEU A 6 -9.548 1.489 4.341 1.00 1.00 C ATOM 68 CG LEU A 6 -8.446 2.551 4.364 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.037 3.956 4.234 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.575 2.410 5.614 1.00 1.00 C ATOM 0 H LEU A 6 -9.023 0.761 1.901 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.383 -0.244 4.612 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.347 1.836 3.686 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -9.970 1.409 5.343 1.00 1.00 H new ATOM 0 HG LEU A 6 -7.800 2.392 3.501 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.233 4.692 4.253 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.580 4.036 3.293 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.719 4.142 5.064 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.800 3.176 5.606 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.193 2.529 6.504 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.110 1.424 5.624 1.00 1.00 H new ATOM 78 N LYS A 7 -9.876 -2.194 4.002 1.00 1.00 N ATOM 79 CA LYS A 7 -10.848 -3.273 4.026 1.00 1.00 C ATOM 80 C LYS A 7 -12.124 -2.790 4.719 1.00 1.00 C ATOM 81 O LYS A 7 -12.111 -2.493 5.913 1.00 1.00 O ATOM 82 CB LYS A 7 -10.242 -4.528 4.657 1.00 1.00 C ATOM 83 CG LYS A 7 -9.541 -5.388 3.604 1.00 1.00 C ATOM 84 CD LYS A 7 -8.925 -6.637 4.238 1.00 1.00 C ATOM 85 CE LYS A 7 -7.417 -6.467 4.432 1.00 1.00 C ATOM 86 NZ LYS A 7 -6.720 -6.499 3.127 1.00 1.00 N ATOM 0 H LYS A 7 -8.904 -2.495 4.075 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.125 -3.558 3.011 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -9.530 -4.242 5.431 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.025 -5.109 5.143 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -10.255 -5.681 2.834 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -8.763 -4.804 3.112 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -9.399 -6.832 5.200 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -9.118 -7.503 3.605 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -7.213 -5.523 4.937 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -7.035 -7.260 5.074 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -5.719 -6.739 3.274 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -7.161 -7.215 2.515 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -6.789 -5.566 2.673 1.00 1.00 H new ATOM 99 N ALA A 8 -13.194 -2.725 3.942 1.00 1.00 N ATOM 100 CA ALA A 8 -14.475 -2.282 4.466 1.00 1.00 C ATOM 101 C ALA A 8 -15.477 -3.437 4.394 1.00 1.00 C ATOM 102 O ALA A 8 -15.261 -4.407 3.669 1.00 1.00 O ATOM 103 CB ALA A 8 -14.947 -1.052 3.691 1.00 1.00 C ATOM 0 H ALA A 8 -13.201 -2.972 2.952 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.381 -1.991 5.512 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -15.908 -0.721 4.085 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.215 -0.251 3.798 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.055 -1.306 2.636 1.00 1.00 H new ATOM 109 N LYS A 9 -16.551 -3.293 5.155 1.00 1.00 N ATOM 110 CA LYS A 9 -17.587 -4.312 5.187 1.00 1.00 C ATOM 111 C LYS A 9 -18.718 -3.913 4.237 1.00 1.00 C ATOM 112 O LYS A 9 -19.751 -4.579 4.180 1.00 1.00 O ATOM 113 CB LYS A 9 -18.051 -4.561 6.624 1.00 1.00 C ATOM 114 CG LYS A 9 -18.977 -5.776 6.699 1.00 1.00 C ATOM 115 CD LYS A 9 -18.494 -6.769 7.757 1.00 1.00 C ATOM 116 CE LYS A 9 -18.239 -8.146 7.141 1.00 1.00 C ATOM 117 NZ LYS A 9 -19.262 -9.114 7.595 1.00 1.00 N ATOM 0 H LYS A 9 -16.727 -2.487 5.754 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.194 -5.265 4.834 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -17.185 -4.719 7.267 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -18.571 -3.680 7.000 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -19.990 -5.451 6.936 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -19.018 -6.267 5.727 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -17.579 -6.398 8.218 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -19.238 -6.853 8.549 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -18.256 -8.073 6.054 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -17.246 -8.498 7.422 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -19.074 -10.043 7.168 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -19.227 -9.196 8.631 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -20.205 -8.784 7.306 1.00 1.00 H new ATOM 130 N ASN A 10 -18.484 -2.827 3.513 1.00 1.00 N ATOM 131 CA ASN A 10 -19.470 -2.333 2.569 1.00 1.00 C ATOM 132 C ASN A 10 -18.760 -1.559 1.455 1.00 1.00 C ATOM 133 O ASN A 10 -19.117 -0.419 1.162 1.00 1.00 O ATOM 134 CB ASN A 10 -20.457 -1.382 3.249 1.00 1.00 C ATOM 135 CG ASN A 10 -21.287 -2.116 4.304 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.924 -3.122 4.039 1.00 1.00 O ATOM 137 ND2 ASN A 10 -21.244 -1.559 5.510 1.00 1.00 N ATOM 0 H ASN A 10 -17.626 -2.277 3.562 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.012 -3.190 2.169 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -19.913 -0.561 3.716 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -21.118 -0.943 2.502 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -21.765 -1.974 6.282 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -20.690 -0.716 5.663 1.00 1.00 H new ATOM 143 N GLY A 11 -17.767 -2.209 0.867 1.00 1.00 N ATOM 144 CA GLY A 11 -17.004 -1.596 -0.206 1.00 1.00 C ATOM 145 C GLY A 11 -15.664 -1.067 0.306 1.00 1.00 C ATOM 146 O GLY A 11 -15.618 -0.334 1.293 1.00 1.00 O ATOM 0 H GLY A 11 -17.473 -3.154 1.113 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -16.832 -2.326 -0.997 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -17.578 -0.779 -0.644 1.00 1.00 H new ATOM 150 N ASP A 12 -14.604 -1.459 -0.386 1.00 1.00 N ATOM 151 CA ASP A 12 -13.266 -1.034 -0.013 1.00 1.00 C ATOM 152 C ASP A 12 -13.066 0.426 -0.427 1.00 1.00 C ATOM 153 O ASP A 12 -13.819 0.951 -1.246 1.00 1.00 O ATOM 154 CB ASP A 12 -12.203 -1.875 -0.720 1.00 1.00 C ATOM 155 CG ASP A 12 -11.860 -1.424 -2.141 1.00 1.00 C ATOM 156 OD1 ASP A 12 -10.761 -0.909 -2.401 1.00 1.00 O ATOM 157 OD2 ASP A 12 -12.788 -1.622 -3.015 1.00 1.00 O ATOM 0 H ASP A 12 -14.645 -2.067 -1.204 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.162 -1.155 1.065 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -11.293 -1.861 -0.121 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -12.545 -2.909 -0.756 1.00 1.00 H new ATOM 163 N VAL A 13 -12.048 1.039 0.159 1.00 1.00 N ATOM 164 CA VAL A 13 -11.740 2.429 -0.139 1.00 1.00 C ATOM 165 C VAL A 13 -10.333 2.518 -0.733 1.00 1.00 C ATOM 166 O VAL A 13 -9.355 2.158 -0.079 1.00 1.00 O ATOM 167 CB VAL A 13 -11.914 3.285 1.117 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.374 4.699 0.896 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.378 3.318 1.559 1.00 1.00 C ATOM 0 H VAL A 13 -11.426 0.600 0.838 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.433 2.823 -0.882 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.333 2.827 1.918 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.510 5.286 1.804 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.313 4.649 0.652 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -11.914 5.170 0.075 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.474 3.933 2.454 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -13.989 3.740 0.761 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -13.715 2.305 1.777 1.00 1.00 H new ATOM 175 N LYS A 14 -10.275 2.999 -1.966 1.00 1.00 N ATOM 176 CA LYS A 14 -9.004 3.140 -2.655 1.00 1.00 C ATOM 177 C LYS A 14 -8.374 4.484 -2.285 1.00 1.00 C ATOM 178 O LYS A 14 -8.636 5.497 -2.933 1.00 1.00 O ATOM 179 CB LYS A 14 -9.186 2.940 -4.162 1.00 1.00 C ATOM 180 CG LYS A 14 -7.973 3.461 -4.935 1.00 1.00 C ATOM 181 CD LYS A 14 -6.723 2.639 -4.611 1.00 1.00 C ATOM 182 CE LYS A 14 -5.453 3.456 -4.850 1.00 1.00 C ATOM 183 NZ LYS A 14 -4.727 3.669 -3.578 1.00 1.00 N ATOM 0 H LYS A 14 -11.088 3.296 -2.506 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.309 2.363 -2.335 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -9.331 1.881 -4.377 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.085 3.459 -4.495 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -8.174 3.418 -6.006 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.800 4.508 -4.685 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -6.758 2.311 -3.572 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -6.704 1.741 -5.229 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -4.809 2.938 -5.561 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -5.710 4.418 -5.294 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -3.725 3.862 -3.778 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -5.141 4.478 -3.073 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -4.804 2.816 -2.987 1.00 1.00 H new ATOM 196 N PHE A 15 -7.555 4.450 -1.244 1.00 1.00 N ATOM 197 CA PHE A 15 -6.885 5.653 -0.779 1.00 1.00 C ATOM 198 C PHE A 15 -5.391 5.609 -1.104 1.00 1.00 C ATOM 199 O PHE A 15 -4.642 4.764 -0.618 1.00 1.00 O ATOM 200 CB PHE A 15 -7.063 5.706 0.740 1.00 1.00 C ATOM 201 CG PHE A 15 -6.488 6.965 1.390 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.961 8.191 1.036 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.504 6.860 2.322 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.426 9.359 1.640 1.00 1.00 C ATOM 205 CE2 PHE A 15 -4.969 8.028 2.926 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.441 9.253 2.572 1.00 1.00 C ATOM 0 H PHE A 15 -7.340 3.608 -0.709 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.311 6.529 -1.269 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.126 5.642 0.973 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.586 4.831 1.182 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.743 8.275 0.296 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.129 5.887 2.603 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.801 10.332 1.359 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.187 7.944 3.666 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.034 10.142 3.031 1.00 1.00 H new ATOM 216 N PRO A 16 -4.969 6.552 -1.949 1.00 1.00 N ATOM 217 CA PRO A 16 -3.599 6.698 -2.391 1.00 1.00 C ATOM 218 C PRO A 16 -2.822 7.530 -1.380 1.00 1.00 C ATOM 219 O PRO A 16 -2.955 8.751 -1.378 1.00 1.00 O ATOM 220 CB PRO A 16 -3.695 7.419 -3.733 1.00 1.00 C ATOM 221 CG PRO A 16 -4.926 8.310 -3.522 1.00 1.00 C ATOM 222 CD PRO A 16 -5.822 7.562 -2.538 1.00 1.00 C ATOM 0 HA PRO A 16 -3.080 5.744 -2.485 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.800 8.002 -3.949 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.830 6.724 -4.562 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.639 9.284 -3.126 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.445 8.489 -4.464 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.221 8.234 -1.778 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.675 7.111 -3.045 1.00 1.00 H new ATOM 230 N HIS A 17 -2.029 6.862 -0.541 1.00 1.00 N ATOM 231 CA HIS A 17 -1.225 7.522 0.482 1.00 1.00 C ATOM 232 C HIS A 17 -0.127 8.371 -0.187 1.00 1.00 C ATOM 233 O HIS A 17 0.021 9.550 0.131 1.00 1.00 O ATOM 234 CB HIS A 17 -0.696 6.461 1.459 1.00 1.00 C ATOM 235 CG HIS A 17 -0.026 6.968 2.714 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.296 7.144 2.804 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.542 7.332 3.935 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.591 7.600 4.031 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.492 7.734 4.771 1.00 1.00 N ATOM 0 H HIS A 17 -1.928 5.847 -0.554 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.821 8.220 1.070 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.530 5.823 1.752 1.00 1.00 H new ATOM 0 HB3 HIS A 17 0.015 5.831 0.925 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.971 6.961 2.061 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.588 7.309 4.203 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.589 7.829 4.374 1.00 1.00 H new ATOM 247 N LYS A 18 0.606 7.739 -1.091 1.00 1.00 N ATOM 248 CA LYS A 18 1.676 8.423 -1.798 1.00 1.00 C ATOM 249 C LYS A 18 1.144 9.742 -2.365 1.00 1.00 C ATOM 250 O LYS A 18 1.902 10.693 -2.545 1.00 1.00 O ATOM 251 CB LYS A 18 2.293 7.504 -2.853 1.00 1.00 C ATOM 252 CG LYS A 18 2.928 8.318 -3.984 1.00 1.00 C ATOM 253 CD LYS A 18 3.795 7.430 -4.877 1.00 1.00 C ATOM 254 CE LYS A 18 5.254 7.895 -4.865 1.00 1.00 C ATOM 255 NZ LYS A 18 5.499 8.859 -5.961 1.00 1.00 N ATOM 0 H LYS A 18 0.480 6.761 -1.351 1.00 1.00 H new ATOM 0 HA LYS A 18 2.487 8.673 -1.114 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.047 6.868 -2.390 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.526 6.845 -3.260 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.147 8.789 -4.581 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.535 9.120 -3.564 1.00 1.00 H new ATOM 0 HD2 LYS A 18 3.736 6.397 -4.535 1.00 1.00 H new ATOM 0 HD3 LYS A 18 3.412 7.450 -5.897 1.00 1.00 H new ATOM 0 HE2 LYS A 18 5.486 8.358 -3.906 1.00 1.00 H new ATOM 0 HE3 LYS A 18 5.917 7.036 -4.973 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 6.493 9.165 -5.939 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 5.297 8.405 -6.874 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 4.880 9.686 -5.841 1.00 1.00 H new ATOM 268 N ALA A 19 -0.153 9.755 -2.629 1.00 1.00 N ATOM 269 CA ALA A 19 -0.794 10.941 -3.171 1.00 1.00 C ATOM 270 C ALA A 19 -1.000 11.962 -2.050 1.00 1.00 C ATOM 271 O ALA A 19 -0.771 13.156 -2.235 1.00 1.00 O ATOM 272 CB ALA A 19 -2.108 10.546 -3.848 1.00 1.00 C ATOM 0 H ALA A 19 -0.778 8.963 -2.478 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.163 11.406 -3.928 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.589 11.435 -4.255 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.904 9.842 -4.655 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.768 10.079 -3.117 1.00 1.00 H new ATOM 278 N HIS A 20 -1.436 11.453 -0.897 1.00 1.00 N ATOM 279 CA HIS A 20 -1.690 12.271 0.284 1.00 1.00 C ATOM 280 C HIS A 20 -0.366 12.542 1.024 1.00 1.00 C ATOM 281 O HIS A 20 -0.378 12.915 2.195 1.00 1.00 O ATOM 282 CB HIS A 20 -2.764 11.586 1.141 1.00 1.00 C ATOM 283 CG HIS A 20 -4.202 11.807 0.733 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.729 11.262 -0.368 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.210 12.534 1.320 1.00 1.00 C ATOM 286 CE1 HIS A 20 -6.015 11.636 -0.464 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.363 12.423 0.553 1.00 1.00 N ATOM 0 H HIS A 20 -1.623 10.460 -0.758 1.00 1.00 H new ATOM 0 HA HIS A 20 -2.084 13.251 0.014 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.570 10.513 1.136 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.646 11.926 2.170 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.235 10.660 -1.027 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -5.120 13.102 2.234 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.680 11.338 -1.261 1.00 1.00 H new ATOM 295 N GLN A 21 0.732 12.346 0.309 1.00 1.00 N ATOM 296 CA GLN A 21 2.048 12.567 0.885 1.00 1.00 C ATOM 297 C GLN A 21 2.671 13.842 0.315 1.00 1.00 C ATOM 298 O GLN A 21 3.305 14.606 1.041 1.00 1.00 O ATOM 299 CB GLN A 21 2.958 11.359 0.650 1.00 1.00 C ATOM 300 CG GLN A 21 3.843 11.094 1.870 1.00 1.00 C ATOM 301 CD GLN A 21 4.541 12.375 2.332 1.00 1.00 C ATOM 302 OE1 GLN A 21 5.132 13.105 1.554 1.00 1.00 O ATOM 303 NE2 GLN A 21 4.437 12.606 3.637 1.00 1.00 N ATOM 0 H GLN A 21 0.738 12.037 -0.663 1.00 1.00 H new ATOM 0 HA GLN A 21 1.935 12.693 1.962 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.352 10.478 0.438 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.583 11.535 -0.226 1.00 1.00 H new ATOM 0 HG2 GLN A 21 3.237 10.693 2.682 1.00 1.00 H new ATOM 0 HG3 GLN A 21 4.589 10.338 1.625 1.00 1.00 H new ATOM 0 HE21 GLN A 21 3.927 11.953 4.232 1.00 1.00 H new ATOM 0 HE22 GLN A 21 4.867 13.437 4.044 1.00 1.00 H new ATOM 311 N LYS A 22 2.468 14.033 -0.981 1.00 1.00 N ATOM 312 CA LYS A 22 3.001 15.204 -1.657 1.00 1.00 C ATOM 313 C LYS A 22 1.925 16.292 -1.709 1.00 1.00 C ATOM 314 O LYS A 22 2.031 17.236 -2.490 1.00 1.00 O ATOM 315 CB LYS A 22 3.557 14.822 -3.030 1.00 1.00 C ATOM 316 CG LYS A 22 4.746 15.710 -3.406 1.00 1.00 C ATOM 317 CD LYS A 22 5.365 15.262 -4.731 1.00 1.00 C ATOM 318 CE LYS A 22 6.174 13.976 -4.553 1.00 1.00 C ATOM 319 NZ LYS A 22 7.600 14.289 -4.311 1.00 1.00 N ATOM 0 H LYS A 22 1.942 13.397 -1.580 1.00 1.00 H new ATOM 0 HA LYS A 22 3.843 15.615 -1.101 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.867 13.777 -3.023 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.775 14.918 -3.783 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.420 16.747 -3.485 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.498 15.671 -2.617 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.578 15.101 -5.468 1.00 1.00 H new ATOM 0 HD3 LYS A 22 6.010 16.050 -5.120 1.00 1.00 H new ATOM 0 HE2 LYS A 22 5.775 13.401 -3.717 1.00 1.00 H new ATOM 0 HE3 LYS A 22 6.078 13.353 -5.442 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 8.134 13.405 -4.192 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 7.982 14.818 -5.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 7.688 14.865 -3.449 1.00 1.00 H new ATOM 332 N ALA A 23 0.915 16.122 -0.869 1.00 1.00 N ATOM 333 CA ALA A 23 -0.177 17.077 -0.810 1.00 1.00 C ATOM 334 C ALA A 23 -0.208 17.726 0.575 1.00 1.00 C ATOM 335 O ALA A 23 -1.047 18.584 0.844 1.00 1.00 O ATOM 336 CB ALA A 23 -1.491 16.371 -1.151 1.00 1.00 C ATOM 0 H ALA A 23 0.830 15.337 -0.224 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.032 17.871 -1.543 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.311 17.088 -1.107 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.429 15.952 -2.155 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.670 15.570 -0.434 1.00 1.00 H new ATOM 391 N LYS A 28 1.645 15.657 9.813 1.00 1.00 N ATOM 392 CA LYS A 28 1.352 16.123 11.158 1.00 1.00 C ATOM 393 C LYS A 28 -0.104 16.589 11.225 1.00 1.00 C ATOM 394 O LYS A 28 -0.546 17.107 12.249 1.00 1.00 O ATOM 395 CB LYS A 28 2.360 17.190 11.586 1.00 1.00 C ATOM 396 CG LYS A 28 2.114 17.628 13.032 1.00 1.00 C ATOM 397 CD LYS A 28 3.331 18.362 13.597 1.00 1.00 C ATOM 398 CE LYS A 28 4.284 17.387 14.293 1.00 1.00 C ATOM 399 NZ LYS A 28 3.800 17.073 15.656 1.00 1.00 N ATOM 0 HA LYS A 28 1.460 15.310 11.876 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.373 16.799 11.488 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.286 18.052 10.923 1.00 1.00 H new ATOM 0 HG2 LYS A 28 1.240 18.278 13.075 1.00 1.00 H new ATOM 0 HG3 LYS A 28 1.893 16.756 13.647 1.00 1.00 H new ATOM 0 HD2 LYS A 28 3.856 18.877 12.792 1.00 1.00 H new ATOM 0 HD3 LYS A 28 3.005 19.125 14.304 1.00 1.00 H new ATOM 0 HE2 LYS A 28 4.366 16.470 13.709 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.283 17.821 14.346 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 4.458 16.410 16.114 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 3.745 17.948 16.215 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 2.857 16.639 15.598 1.00 1.00 H new ATOM 412 N LYS A 29 -0.808 16.387 10.122 1.00 1.00 N ATOM 413 CA LYS A 29 -2.204 16.780 10.042 1.00 1.00 C ATOM 414 C LYS A 29 -3.089 15.556 10.288 1.00 1.00 C ATOM 415 O LYS A 29 -4.313 15.667 10.328 1.00 1.00 O ATOM 416 CB LYS A 29 -2.488 17.486 8.715 1.00 1.00 C ATOM 417 CG LYS A 29 -3.741 18.359 8.815 1.00 1.00 C ATOM 418 CD LYS A 29 -3.896 19.240 7.573 1.00 1.00 C ATOM 419 CE LYS A 29 -2.914 20.412 7.608 1.00 1.00 C ATOM 420 NZ LYS A 29 -3.644 21.698 7.669 1.00 1.00 N ATOM 0 H LYS A 29 -0.437 15.956 9.275 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.439 17.507 10.820 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.633 18.102 8.436 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.618 16.746 7.926 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.621 17.726 8.929 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -3.682 18.986 9.705 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.725 18.644 6.676 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -4.917 19.618 7.515 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -2.257 20.318 8.473 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -2.279 20.389 6.722 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -2.963 22.483 7.692 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -4.252 21.792 6.831 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -4.231 21.724 8.527 1.00 1.00 H new ATOM 433 N CYS A 30 -2.434 14.415 10.448 1.00 1.00 N ATOM 434 CA CYS A 30 -3.146 13.171 10.690 1.00 1.00 C ATOM 435 C CYS A 30 -2.379 12.377 11.749 1.00 1.00 C ATOM 436 O CYS A 30 -2.954 11.929 12.740 1.00 1.00 O ATOM 437 CB CYS A 30 -3.336 12.369 9.401 1.00 1.00 C ATOM 438 SG CYS A 30 -3.562 13.504 7.984 1.00 1.00 S ATOM 0 H CYS A 30 -1.418 14.326 10.415 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.149 13.388 11.057 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -2.470 11.729 9.230 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.203 11.714 9.495 1.00 1.00 H new ATOM 0 HG CYS A 30 -3.720 12.812 6.895 1.00 1.00 H new ATOM 443 N HIS A 31 -1.078 12.223 11.505 1.00 1.00 N ATOM 444 CA HIS A 31 -0.185 11.496 12.401 1.00 1.00 C ATOM 445 C HIS A 31 0.350 12.446 13.487 1.00 1.00 C ATOM 446 O HIS A 31 1.562 12.596 13.637 1.00 1.00 O ATOM 447 CB HIS A 31 0.908 10.812 11.567 1.00 1.00 C ATOM 448 CG HIS A 31 0.443 9.940 10.423 1.00 1.00 C ATOM 449 ND1 HIS A 31 0.880 9.839 9.124 1.00 1.00 N flip ATOM 450 CD2 HIS A 31 -0.557 9.062 10.548 1.00 1.00 C flip ATOM 451 CE1 HIS A 31 0.125 8.882 8.457 1.00 1.00 C flip ATOM 452 NE2 HIS A 31 -0.737 8.440 9.372 1.00 1.00 N flip ATOM 0 H HIS A 31 -0.615 12.600 10.678 1.00 1.00 H new ATOM 0 HA HIS A 31 -0.713 10.705 12.934 1.00 1.00 H new ATOM 0 HB2 HIS A 31 1.561 11.585 11.162 1.00 1.00 H new ATOM 0 HB3 HIS A 31 1.514 10.201 12.236 1.00 1.00 H new ATOM 0 HD1 HIS A 31 1.640 10.382 8.714 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -1.127 8.882 11.448 1.00 1.00 H new ATOM 0 HE1 HIS A 31 0.216 8.567 7.428 1.00 1.00 H new ATOM 460 N GLU A 32 -0.576 13.059 14.212 1.00 1.00 N ATOM 461 CA GLU A 32 -0.209 13.982 15.271 1.00 1.00 C ATOM 462 C GLU A 32 0.495 13.236 16.406 1.00 1.00 C ATOM 463 O GLU A 32 0.021 13.235 17.542 1.00 1.00 O ATOM 464 CB GLU A 32 -1.433 14.739 15.788 1.00 1.00 C ATOM 465 CG GLU A 32 -1.962 15.713 14.734 1.00 1.00 C ATOM 466 CD GLU A 32 -2.392 17.035 15.375 1.00 1.00 C ATOM 467 OE1 GLU A 32 -1.569 17.952 15.515 1.00 1.00 O ATOM 468 OE2 GLU A 32 -3.630 17.089 15.732 1.00 1.00 O ATOM 0 H GLU A 32 -1.580 12.933 14.086 1.00 1.00 H new ATOM 0 HA GLU A 32 0.484 14.717 14.861 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -2.216 14.030 16.058 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.171 15.285 16.694 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -1.190 15.901 13.987 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.808 15.266 14.212 1.00 1.00 H new ATOM 476 N LYS A 33 1.614 12.616 16.061 1.00 1.00 N ATOM 477 CA LYS A 33 2.386 11.866 17.037 1.00 1.00 C ATOM 478 C LYS A 33 3.470 11.063 16.314 1.00 1.00 C ATOM 479 O LYS A 33 4.658 11.345 16.461 1.00 1.00 O ATOM 480 CB LYS A 33 1.463 11.011 17.907 1.00 1.00 C ATOM 481 CG LYS A 33 2.154 9.710 18.324 1.00 1.00 C ATOM 482 CD LYS A 33 1.661 9.243 19.695 1.00 1.00 C ATOM 483 CE LYS A 33 1.755 7.721 19.821 1.00 1.00 C ATOM 484 NZ LYS A 33 2.485 7.347 21.053 1.00 1.00 N ATOM 0 H LYS A 33 2.005 12.618 15.119 1.00 1.00 H new ATOM 0 HA LYS A 33 2.895 12.543 17.723 1.00 1.00 H new ATOM 0 HB2 LYS A 33 1.170 11.572 18.794 1.00 1.00 H new ATOM 0 HB3 LYS A 33 0.549 10.782 17.359 1.00 1.00 H new ATOM 0 HG2 LYS A 33 1.960 8.937 17.581 1.00 1.00 H new ATOM 0 HG3 LYS A 33 3.233 9.860 18.353 1.00 1.00 H new ATOM 0 HD2 LYS A 33 2.254 9.714 20.479 1.00 1.00 H new ATOM 0 HD3 LYS A 33 0.629 9.561 19.842 1.00 1.00 H new ATOM 0 HE2 LYS A 33 0.754 7.289 19.839 1.00 1.00 H new ATOM 0 HE3 LYS A 33 2.265 7.309 18.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 2.540 6.311 21.123 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 3.446 7.743 21.021 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 1.983 7.724 21.882 1.00 1.00 H new ATOM 497 N GLY A 34 3.021 10.077 15.550 1.00 1.00 N ATOM 498 CA GLY A 34 3.937 9.231 14.805 1.00 1.00 C ATOM 499 C GLY A 34 3.180 8.331 13.826 1.00 1.00 C ATOM 500 O GLY A 34 1.976 8.111 13.941 1.00 1.00 O ATOM 0 H GLY A 34 2.035 9.846 15.431 1.00 1.00 H new ATOM 0 HA2 GLY A 34 4.648 9.851 14.259 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.515 8.617 15.496 1.00 1.00 H new ATOM 504 N PRO A 35 3.924 7.808 12.849 1.00 1.00 N ATOM 505 CA PRO A 35 3.416 6.930 11.817 1.00 1.00 C ATOM 506 C PRO A 35 2.771 5.709 12.459 1.00 1.00 C ATOM 507 O PRO A 35 2.420 5.772 13.636 1.00 1.00 O ATOM 508 CB PRO A 35 4.642 6.536 10.999 1.00 1.00 C ATOM 509 CG PRO A 35 5.877 6.786 12.009 1.00 1.00 C ATOM 510 CD PRO A 35 5.341 8.046 12.685 1.00 1.00 C ATOM 0 HA PRO A 35 2.656 7.401 11.194 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.592 5.495 10.679 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.733 7.142 10.098 1.00 1.00 H new ATOM 0 HG2 PRO A 35 6.031 5.962 12.705 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.823 6.949 11.493 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.827 8.215 13.646 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.525 8.930 12.075 1.00 1.00 H new ATOM 518 N GLY A 36 2.629 4.640 11.689 1.00 1.00 N ATOM 519 CA GLY A 36 2.025 3.422 12.203 1.00 1.00 C ATOM 520 C GLY A 36 0.500 3.536 12.228 1.00 1.00 C ATOM 521 O GLY A 36 -0.052 4.600 11.955 1.00 1.00 O ATOM 0 H GLY A 36 2.922 4.592 10.713 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.320 2.576 11.583 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.395 3.224 13.209 1.00 1.00 H new ATOM 525 N LYS A 37 -0.139 2.422 12.558 1.00 1.00 N ATOM 526 CA LYS A 37 -1.590 2.383 12.621 1.00 1.00 C ATOM 527 C LYS A 37 -2.086 3.495 13.547 1.00 1.00 C ATOM 528 O LYS A 37 -1.532 3.703 14.625 1.00 1.00 O ATOM 529 CB LYS A 37 -2.071 0.988 13.023 1.00 1.00 C ATOM 530 CG LYS A 37 -1.753 0.701 14.493 1.00 1.00 C ATOM 531 CD LYS A 37 -3.016 0.308 15.261 1.00 1.00 C ATOM 532 CE LYS A 37 -2.688 -0.036 16.715 1.00 1.00 C ATOM 533 NZ LYS A 37 -3.912 0.009 17.546 1.00 1.00 N ATOM 0 H LYS A 37 0.322 1.541 12.784 1.00 1.00 H new ATOM 0 HA LYS A 37 -2.019 2.572 11.637 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -3.145 0.908 12.857 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -1.594 0.239 12.391 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -1.018 -0.101 14.560 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.305 1.583 14.951 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -3.734 1.127 15.230 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -3.488 -0.548 14.778 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -2.241 -1.029 16.768 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -1.951 0.667 17.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -3.712 0.516 18.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -4.666 0.503 17.027 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -4.219 -0.960 17.764 1.00 1.00 H new ATOM 546 N ILE A 38 -3.124 4.182 13.091 1.00 1.00 N ATOM 547 CA ILE A 38 -3.701 5.268 13.866 1.00 1.00 C ATOM 548 C ILE A 38 -4.860 4.729 14.706 1.00 1.00 C ATOM 549 O ILE A 38 -5.827 4.195 14.167 1.00 1.00 O ATOM 550 CB ILE A 38 -4.093 6.429 12.949 1.00 1.00 C ATOM 551 CG1 ILE A 38 -2.858 7.063 12.306 1.00 1.00 C ATOM 552 CG2 ILE A 38 -4.940 7.459 13.701 1.00 1.00 C ATOM 553 CD1 ILE A 38 -2.555 6.422 10.950 1.00 1.00 C ATOM 0 H ILE A 38 -3.580 4.008 12.195 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.966 5.674 14.561 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.708 6.033 12.141 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -3.019 8.133 12.178 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -1.999 6.947 12.967 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -5.205 8.274 13.027 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.848 6.983 14.070 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.370 7.855 14.542 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -1.673 6.891 10.515 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -2.370 5.356 11.085 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -3.406 6.561 10.283 1.00 1.00 H new ATOM 560 N GLU A 39 -4.723 4.889 16.014 1.00 1.00 N ATOM 561 CA GLU A 39 -5.747 4.425 16.936 1.00 1.00 C ATOM 562 C GLU A 39 -6.907 5.422 16.985 1.00 1.00 C ATOM 563 O GLU A 39 -6.743 6.589 16.631 1.00 1.00 O ATOM 564 CB GLU A 39 -5.164 4.193 18.331 1.00 1.00 C ATOM 565 CG GLU A 39 -4.678 2.751 18.489 1.00 1.00 C ATOM 566 CD GLU A 39 -5.530 1.993 19.508 1.00 1.00 C ATOM 567 OE1 GLU A 39 -5.908 2.560 20.544 1.00 1.00 O ATOM 568 OE2 GLU A 39 -5.799 0.771 19.194 1.00 1.00 O ATOM 0 H GLU A 39 -3.919 5.333 16.458 1.00 1.00 H new ATOM 0 HA GLU A 39 -6.129 3.470 16.575 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -4.336 4.881 18.502 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -5.920 4.411 19.086 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -4.719 2.242 17.526 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -3.636 2.748 18.807 1.00 1.00 H new ATOM 576 N GLY A 40 -8.053 4.925 17.427 1.00 1.00 N ATOM 577 CA GLY A 40 -9.240 5.758 17.527 1.00 1.00 C ATOM 578 C GLY A 40 -10.087 5.660 16.256 1.00 1.00 C ATOM 579 O GLY A 40 -11.304 5.494 16.329 1.00 1.00 O ATOM 0 H GLY A 40 -8.185 3.957 17.720 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -9.833 5.450 18.388 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.948 6.795 17.695 1.00 1.00 H new ATOM 583 N PHE A 41 -9.410 5.766 15.122 1.00 1.00 N ATOM 584 CA PHE A 41 -10.086 5.692 13.838 1.00 1.00 C ATOM 585 C PHE A 41 -11.301 4.765 13.911 1.00 1.00 C ATOM 586 O PHE A 41 -11.290 3.776 14.643 1.00 1.00 O ATOM 587 CB PHE A 41 -9.081 5.118 12.837 1.00 1.00 C ATOM 588 CG PHE A 41 -9.534 5.209 11.378 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.641 4.535 10.966 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.829 5.965 10.494 1.00 1.00 C ATOM 591 CE1 PHE A 41 -11.061 4.621 9.613 1.00 1.00 C ATOM 592 CE2 PHE A 41 -9.250 6.050 9.141 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.357 5.377 8.729 1.00 1.00 C ATOM 0 H PHE A 41 -8.401 5.902 15.066 1.00 1.00 H new ATOM 0 HA PHE A 41 -10.435 6.682 13.543 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -8.133 5.646 12.946 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.894 4.073 13.084 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -11.200 3.935 11.668 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.950 6.500 10.821 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -11.940 4.086 9.286 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -8.690 6.650 8.438 1.00 1.00 H new ATOM 0 HZ PHE A 41 -10.677 5.443 7.700 1.00 1.00 H new ATOM 603 N GLY A 42 -12.321 5.117 13.141 1.00 1.00 N ATOM 604 CA GLY A 42 -13.542 4.330 13.110 1.00 1.00 C ATOM 605 C GLY A 42 -14.439 4.757 11.946 1.00 1.00 C ATOM 606 O GLY A 42 -14.123 5.706 11.229 1.00 1.00 O ATOM 0 H GLY A 42 -12.326 5.937 12.534 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -13.295 3.273 13.015 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -14.080 4.449 14.051 1.00 1.00 H new ATOM 610 N LYS A 43 -15.540 4.036 11.795 1.00 1.00 N ATOM 611 CA LYS A 43 -16.486 4.329 10.731 1.00 1.00 C ATOM 612 C LYS A 43 -17.074 5.725 10.946 1.00 1.00 C ATOM 613 O LYS A 43 -17.575 6.344 10.008 1.00 1.00 O ATOM 614 CB LYS A 43 -17.541 3.225 10.634 1.00 1.00 C ATOM 615 CG LYS A 43 -16.893 1.841 10.686 1.00 1.00 C ATOM 616 CD LYS A 43 -15.768 1.722 9.657 1.00 1.00 C ATOM 617 CE LYS A 43 -14.399 1.687 10.340 1.00 1.00 C ATOM 618 NZ LYS A 43 -14.431 0.789 11.517 1.00 1.00 N ATOM 0 H LYS A 43 -15.798 3.250 12.391 1.00 1.00 H new ATOM 0 HA LYS A 43 -15.981 4.342 9.765 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -18.255 3.327 11.451 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -18.101 3.333 9.705 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -16.497 1.658 11.685 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -17.646 1.076 10.497 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -15.906 0.817 9.065 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -15.812 2.564 8.966 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.642 1.345 9.634 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -14.114 2.693 10.650 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.520 0.295 11.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.603 1.349 12.376 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -15.193 0.091 11.401 1.00 1.00 H new ATOM 631 N GLU A 44 -16.995 6.181 12.188 1.00 1.00 N ATOM 632 CA GLU A 44 -17.513 7.492 12.539 1.00 1.00 C ATOM 633 C GLU A 44 -16.444 8.564 12.310 1.00 1.00 C ATOM 634 O GLU A 44 -16.755 9.670 11.873 1.00 1.00 O ATOM 635 CB GLU A 44 -18.011 7.516 13.985 1.00 1.00 C ATOM 636 CG GLU A 44 -18.671 8.856 14.316 1.00 1.00 C ATOM 637 CD GLU A 44 -19.442 9.400 13.110 1.00 1.00 C ATOM 638 OE1 GLU A 44 -19.025 10.400 12.509 1.00 1.00 O ATOM 639 OE2 GLU A 44 -20.509 8.743 12.805 1.00 1.00 O ATOM 0 H GLU A 44 -16.580 5.665 12.964 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.363 7.710 11.893 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.725 6.707 14.141 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -17.176 7.340 14.664 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -19.349 8.733 15.160 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -17.910 9.575 14.620 1.00 1.00 H new ATOM 647 N MET A 45 -15.209 8.196 12.615 1.00 1.00 N ATOM 648 CA MET A 45 -14.093 9.112 12.447 1.00 1.00 C ATOM 649 C MET A 45 -13.822 9.381 10.965 1.00 1.00 C ATOM 650 O MET A 45 -13.545 10.516 10.578 1.00 1.00 O ATOM 651 CB MET A 45 -12.841 8.516 13.094 1.00 1.00 C ATOM 652 CG MET A 45 -12.118 9.558 13.951 1.00 1.00 C ATOM 653 SD MET A 45 -12.517 9.316 15.673 1.00 1.00 S ATOM 654 CE MET A 45 -13.392 10.837 16.005 1.00 1.00 C ATOM 0 H MET A 45 -14.956 7.277 12.977 1.00 1.00 H new ATOM 0 HA MET A 45 -14.348 10.056 12.928 1.00 1.00 H new ATOM 0 HB2 MET A 45 -13.118 7.661 13.711 1.00 1.00 H new ATOM 0 HB3 MET A 45 -12.168 8.146 12.320 1.00 1.00 H new ATOM 0 HG2 MET A 45 -11.041 9.478 13.804 1.00 1.00 H new ATOM 0 HG3 MET A 45 -12.408 10.561 13.640 1.00 1.00 H new ATOM 0 HE1 MET A 45 -13.715 10.851 17.046 1.00 1.00 H new ATOM 0 HE2 MET A 45 -12.732 11.684 15.818 1.00 1.00 H new ATOM 0 HE3 MET A 45 -14.263 10.905 15.354 1.00 1.00 H new ATOM 664 N ALA A 46 -13.912 8.320 10.178 1.00 1.00 N ATOM 665 CA ALA A 46 -13.680 8.428 8.747 1.00 1.00 C ATOM 666 C ALA A 46 -14.497 9.595 8.189 1.00 1.00 C ATOM 667 O ALA A 46 -13.942 10.560 7.669 1.00 1.00 O ATOM 668 CB ALA A 46 -14.026 7.098 8.073 1.00 1.00 C ATOM 0 H ALA A 46 -14.142 7.381 10.503 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.629 8.634 8.542 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.852 7.178 7.000 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.398 6.308 8.484 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -15.074 6.860 8.254 1.00 1.00 H new ATOM 674 N HIS A 47 -15.819 9.469 8.316 1.00 1.00 N ATOM 675 CA HIS A 47 -16.759 10.479 7.845 1.00 1.00 C ATOM 676 C HIS A 47 -16.636 11.748 8.709 1.00 1.00 C ATOM 677 O HIS A 47 -17.230 12.776 8.385 1.00 1.00 O ATOM 678 CB HIS A 47 -18.169 9.870 7.813 1.00 1.00 C ATOM 679 CG HIS A 47 -18.302 8.499 7.193 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.951 7.498 7.795 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.844 7.995 5.999 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.900 6.412 7.007 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.228 6.664 5.885 1.00 1.00 N ATOM 0 H HIS A 47 -16.266 8.661 8.750 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.531 10.792 6.826 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.540 9.818 8.836 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.823 10.553 7.271 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.275 8.546 5.265 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.346 5.459 7.251 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -18.038 6.023 5.114 1.00 1.00 H new ATOM 691 N GLY A 48 -15.866 11.632 9.781 1.00 1.00 N ATOM 692 CA GLY A 48 -15.664 12.754 10.681 1.00 1.00 C ATOM 693 C GLY A 48 -14.771 13.818 10.040 1.00 1.00 C ATOM 694 O GLY A 48 -15.146 14.427 9.039 1.00 1.00 O ATOM 0 H GLY A 48 -15.375 10.778 10.046 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.627 13.192 10.943 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -15.210 12.404 11.608 1.00 1.00 H new ATOM 698 N LYS A 49 -13.607 14.009 10.642 1.00 1.00 N ATOM 699 CA LYS A 49 -12.657 14.989 10.143 1.00 1.00 C ATOM 700 C LYS A 49 -11.281 14.336 10.006 1.00 1.00 C ATOM 701 O LYS A 49 -10.267 14.936 10.359 1.00 1.00 O ATOM 702 CB LYS A 49 -12.660 16.238 11.028 1.00 1.00 C ATOM 703 CG LYS A 49 -12.077 15.933 12.408 1.00 1.00 C ATOM 704 CD LYS A 49 -13.016 15.033 13.214 1.00 1.00 C ATOM 705 CE LYS A 49 -13.231 15.587 14.623 1.00 1.00 C ATOM 706 NZ LYS A 49 -14.656 15.483 15.008 1.00 1.00 N ATOM 0 H LYS A 49 -13.300 13.501 11.472 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.949 15.330 9.150 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.080 17.028 10.551 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -13.679 16.611 11.134 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -11.108 15.447 12.298 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -11.907 16.864 12.949 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -13.975 14.950 12.702 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -12.599 14.028 13.274 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -12.615 15.037 15.334 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -12.912 16.629 14.663 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -14.785 15.863 15.967 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -15.237 16.027 14.339 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -14.949 14.485 14.989 1.00 1.00 H new ATOM 719 N GLY A 50 -11.289 13.114 9.492 1.00 1.00 N ATOM 720 CA GLY A 50 -10.054 12.373 9.305 1.00 1.00 C ATOM 721 C GLY A 50 -10.066 11.616 7.975 1.00 1.00 C ATOM 722 O GLY A 50 -9.219 10.756 7.738 1.00 1.00 O ATOM 0 H GLY A 50 -12.132 12.619 9.199 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -9.207 13.058 9.330 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.919 11.670 10.127 1.00 1.00 H new ATOM 726 N CYS A 51 -11.037 11.961 7.142 1.00 1.00 N ATOM 727 CA CYS A 51 -11.170 11.325 5.843 1.00 1.00 C ATOM 728 C CYS A 51 -11.980 12.252 4.934 1.00 1.00 C ATOM 729 O CYS A 51 -11.509 12.652 3.872 1.00 1.00 O ATOM 730 CB CYS A 51 -11.806 9.938 5.956 1.00 1.00 C ATOM 731 SG CYS A 51 -11.205 8.716 4.734 1.00 1.00 S ATOM 0 H CYS A 51 -11.739 12.673 7.342 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.182 11.166 5.410 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.622 9.550 6.958 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.886 10.039 5.847 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.808 7.580 4.924 1.00 1.00 H new ATOM 736 N LYS A 52 -13.185 12.567 5.387 1.00 1.00 N ATOM 737 CA LYS A 52 -14.065 13.440 4.628 1.00 1.00 C ATOM 738 C LYS A 52 -13.964 14.864 5.179 1.00 1.00 C ATOM 739 O LYS A 52 -13.454 15.758 4.508 1.00 1.00 O ATOM 740 CB LYS A 52 -15.490 12.885 4.616 1.00 1.00 C ATOM 741 CG LYS A 52 -16.248 13.346 3.370 1.00 1.00 C ATOM 742 CD LYS A 52 -17.666 13.798 3.727 1.00 1.00 C ATOM 743 CE LYS A 52 -17.664 15.228 4.272 1.00 1.00 C ATOM 744 NZ LYS A 52 -18.993 15.575 4.822 1.00 1.00 N ATOM 0 H LYS A 52 -13.572 12.233 6.270 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.754 13.479 3.584 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.460 11.796 4.645 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -16.019 13.214 5.510 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.710 14.166 2.895 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -16.293 12.533 2.646 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -18.303 13.742 2.844 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -18.091 13.122 4.469 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -16.906 15.326 5.049 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -17.399 15.926 3.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -18.999 16.574 5.110 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -19.721 15.419 4.096 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -19.194 14.976 5.648 1.00 1.00 H new ATOM 757 N GLY A 53 -14.458 15.028 6.398 1.00 1.00 N ATOM 758 CA GLY A 53 -14.430 16.328 7.048 1.00 1.00 C ATOM 759 C GLY A 53 -13.298 17.194 6.492 1.00 1.00 C ATOM 760 O GLY A 53 -13.514 18.350 6.135 1.00 1.00 O ATOM 0 H GLY A 53 -14.880 14.283 6.952 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -15.385 16.833 6.901 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -14.300 16.199 8.122 1.00 1.00 H new ATOM 764 N CYS A 54 -12.114 16.601 6.436 1.00 1.00 N ATOM 765 CA CYS A 54 -10.948 17.304 5.930 1.00 1.00 C ATOM 766 C CYS A 54 -11.345 18.031 4.644 1.00 1.00 C ATOM 767 O CYS A 54 -11.362 19.258 4.593 1.00 1.00 O ATOM 768 CB CYS A 54 -9.768 16.354 5.706 1.00 1.00 C ATOM 769 SG CYS A 54 -8.258 17.042 6.479 1.00 1.00 S ATOM 0 H CYS A 54 -11.938 15.641 6.733 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.611 18.031 6.668 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.992 15.376 6.132 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.606 16.207 4.638 1.00 1.00 H new ATOM 0 HG CYS A 54 -7.263 16.229 6.286 1.00 1.00 H new ATOM 774 N HIS A 55 -11.662 17.236 3.621 1.00 1.00 N ATOM 775 CA HIS A 55 -12.066 17.747 2.317 1.00 1.00 C ATOM 776 C HIS A 55 -13.124 18.851 2.494 1.00 1.00 C ATOM 777 O HIS A 55 -13.047 19.892 1.844 1.00 1.00 O ATOM 778 CB HIS A 55 -12.521 16.570 1.441 1.00 1.00 C ATOM 779 CG HIS A 55 -11.606 15.369 1.387 1.00 1.00 C ATOM 780 ND1 HIS A 55 -10.265 15.263 1.098 1.00 1.00 N flip ATOM 781 CD2 HIS A 55 -12.030 14.128 1.641 1.00 1.00 C flip ATOM 782 CE1 HIS A 55 -9.883 13.930 1.180 1.00 1.00 C flip ATOM 783 NE2 HIS A 55 -10.996 13.281 1.515 1.00 1.00 N flip ATOM 0 H HIS A 55 -11.645 16.218 3.677 1.00 1.00 H new ATOM 0 HA HIS A 55 -11.232 18.219 1.798 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.496 16.238 1.797 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.661 16.937 0.424 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -13.040 13.851 1.905 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -8.901 13.513 1.010 1.00 1.00 H new ATOM 0 HE2 HIS A 55 -11.055 12.273 1.657 1.00 1.00 H new ATOM 791 N GLU A 56 -14.079 18.584 3.374 1.00 1.00 N ATOM 792 CA GLU A 56 -15.140 19.540 3.640 1.00 1.00 C ATOM 793 C GLU A 56 -14.554 20.850 4.169 1.00 1.00 C ATOM 794 O GLU A 56 -15.216 21.886 4.140 1.00 1.00 O ATOM 795 CB GLU A 56 -16.165 18.962 4.619 1.00 1.00 C ATOM 796 CG GLU A 56 -17.176 20.029 5.045 1.00 1.00 C ATOM 797 CD GLU A 56 -18.184 19.460 6.047 1.00 1.00 C ATOM 798 OE1 GLU A 56 -19.047 18.654 5.668 1.00 1.00 O ATOM 799 OE2 GLU A 56 -18.046 19.883 7.258 1.00 1.00 O ATOM 0 H GLU A 56 -14.140 17.719 3.911 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.658 19.749 2.704 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.687 18.126 4.154 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.653 18.569 5.497 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.652 20.874 5.491 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -17.703 20.407 4.169 1.00 1.00 H new ATOM 807 N GLU A 57 -13.319 20.762 4.640 1.00 1.00 N ATOM 808 CA GLU A 57 -12.636 21.927 5.174 1.00 1.00 C ATOM 809 C GLU A 57 -11.558 22.404 4.200 1.00 1.00 C ATOM 810 O GLU A 57 -11.524 23.577 3.832 1.00 1.00 O ATOM 811 CB GLU A 57 -12.038 21.629 6.551 1.00 1.00 C ATOM 812 CG GLU A 57 -12.722 22.460 7.637 1.00 1.00 C ATOM 813 CD GLU A 57 -11.713 22.921 8.691 1.00 1.00 C ATOM 814 OE1 GLU A 57 -10.878 23.794 8.411 1.00 1.00 O ATOM 815 OE2 GLU A 57 -11.819 22.339 9.839 1.00 1.00 O ATOM 0 H GLU A 57 -12.773 19.901 4.663 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.366 22.727 5.297 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.147 20.568 6.777 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.970 21.845 6.542 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -13.205 23.327 7.186 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -13.506 21.870 8.112 1.00 1.00 H new ATOM 823 N MET A 58 -10.703 21.471 3.809 1.00 1.00 N ATOM 824 CA MET A 58 -9.626 21.781 2.884 1.00 1.00 C ATOM 825 C MET A 58 -10.177 22.326 1.564 1.00 1.00 C ATOM 826 O MET A 58 -9.450 22.953 0.796 1.00 1.00 O ATOM 827 CB MET A 58 -8.806 20.518 2.612 1.00 1.00 C ATOM 828 CG MET A 58 -7.307 20.809 2.699 1.00 1.00 C ATOM 829 SD MET A 58 -6.617 20.029 4.149 1.00 1.00 S ATOM 830 CE MET A 58 -5.040 19.504 3.498 1.00 1.00 C ATOM 0 H MET A 58 -10.734 20.499 4.116 1.00 1.00 H new ATOM 0 HA MET A 58 -8.993 22.545 3.336 1.00 1.00 H new ATOM 0 HB2 MET A 58 -9.072 19.745 3.333 1.00 1.00 H new ATOM 0 HB3 MET A 58 -9.048 20.129 1.623 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.804 20.442 1.804 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.139 21.885 2.740 1.00 1.00 H new ATOM 0 HE1 MET A 58 -4.475 18.994 4.279 1.00 1.00 H new ATOM 0 HE2 MET A 58 -5.200 18.823 2.662 1.00 1.00 H new ATOM 0 HE3 MET A 58 -4.480 20.374 3.155 1.00 1.00 H new ATOM 840 N LYS A 59 -11.457 22.066 1.343 1.00 1.00 N ATOM 841 CA LYS A 59 -12.113 22.524 0.130 1.00 1.00 C ATOM 842 C LYS A 59 -11.530 21.779 -1.073 1.00 1.00 C ATOM 843 O LYS A 59 -11.745 22.175 -2.217 1.00 1.00 O ATOM 844 CB LYS A 59 -12.023 24.046 0.012 1.00 1.00 C ATOM 845 CG LYS A 59 -13.407 24.689 0.125 1.00 1.00 C ATOM 846 CD LYS A 59 -13.302 26.139 0.598 1.00 1.00 C ATOM 847 CE LYS A 59 -13.097 26.208 2.113 1.00 1.00 C ATOM 848 NZ LYS A 59 -12.273 27.384 2.473 1.00 1.00 N ATOM 0 H LYS A 59 -12.057 21.545 1.982 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.178 22.293 0.164 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -11.372 24.437 0.794 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -11.571 24.314 -0.943 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -13.908 24.654 -0.842 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -14.021 24.119 0.823 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -12.471 26.631 0.092 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -14.207 26.681 0.325 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -14.063 26.267 2.614 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -12.612 25.296 2.462 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -12.144 27.415 3.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -11.344 27.312 2.010 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -12.751 28.252 2.158 1.00 1.00 H new ATOM 861 N LYS A 60 -10.804 20.712 -0.772 1.00 1.00 N ATOM 862 CA LYS A 60 -10.188 19.908 -1.814 1.00 1.00 C ATOM 863 C LYS A 60 -10.372 18.426 -1.483 1.00 1.00 C ATOM 864 O LYS A 60 -10.086 17.996 -0.366 1.00 1.00 O ATOM 865 CB LYS A 60 -8.728 20.318 -2.014 1.00 1.00 C ATOM 866 CG LYS A 60 -8.042 20.577 -0.671 1.00 1.00 C ATOM 867 CD LYS A 60 -6.752 21.378 -0.859 1.00 1.00 C ATOM 868 CE LYS A 60 -5.647 20.507 -1.458 1.00 1.00 C ATOM 869 NZ LYS A 60 -5.079 21.147 -2.666 1.00 1.00 N ATOM 0 H LYS A 60 -10.629 20.386 0.178 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.678 20.084 -2.772 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.197 19.533 -2.552 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.680 21.216 -2.630 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.719 21.121 -0.012 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.817 19.628 -0.185 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.941 22.231 -1.511 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.425 21.777 0.101 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -4.861 20.348 -0.720 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -6.047 19.526 -1.713 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -4.330 20.542 -3.060 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -5.828 21.276 -3.375 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -4.679 22.073 -2.413 1.00 1.00 H new ATOM 882 N GLY A 61 -10.846 17.685 -2.474 1.00 1.00 N ATOM 883 CA GLY A 61 -11.070 16.260 -2.302 1.00 1.00 C ATOM 884 C GLY A 61 -12.527 15.895 -2.592 1.00 1.00 C ATOM 885 O GLY A 61 -13.411 16.746 -2.665 1.00 1.00 O ATOM 0 H GLY A 61 -11.081 18.045 -3.399 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.412 15.702 -2.968 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.814 15.968 -1.283 1.00 1.00 H new ATOM 889 N PRO A 62 -12.760 14.592 -2.759 1.00 1.00 N ATOM 890 CA PRO A 62 -14.061 14.024 -3.041 1.00 1.00 C ATOM 891 C PRO A 62 -14.762 13.681 -1.734 1.00 1.00 C ATOM 892 O PRO A 62 -14.089 13.272 -0.789 1.00 1.00 O ATOM 893 CB PRO A 62 -13.773 12.764 -3.855 1.00 1.00 C ATOM 894 CG PRO A 62 -12.414 12.305 -3.230 1.00 1.00 C ATOM 895 CD PRO A 62 -11.745 13.564 -2.682 1.00 1.00 C ATOM 0 HA PRO A 62 -14.714 14.709 -3.583 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.554 12.012 -3.740 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.686 12.973 -4.921 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.578 11.576 -2.437 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.784 11.825 -3.979 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.409 13.417 -1.655 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.867 13.832 -3.270 1.00 1.00 H new ATOM 903 N THR A 63 -16.075 13.852 -1.702 1.00 1.00 N ATOM 904 CA THR A 63 -16.840 13.555 -0.502 1.00 1.00 C ATOM 905 C THR A 63 -17.874 12.464 -0.784 1.00 1.00 C ATOM 906 O THR A 63 -18.380 11.829 0.140 1.00 1.00 O ATOM 907 CB THR A 63 -17.456 14.861 0.002 1.00 1.00 C ATOM 908 OG1 THR A 63 -18.316 15.270 -1.058 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.429 15.992 0.104 1.00 1.00 C ATOM 0 H THR A 63 -16.629 14.192 -2.488 1.00 1.00 H new ATOM 0 HA THR A 63 -16.200 13.156 0.285 1.00 1.00 H new ATOM 0 HB THR A 63 -17.912 14.694 0.978 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.759 16.110 -0.815 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.918 16.896 0.466 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.639 15.704 0.797 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.998 16.182 -0.879 1.00 1.00 H new ATOM 915 N LYS A 64 -18.158 12.281 -2.066 1.00 1.00 N ATOM 916 CA LYS A 64 -19.123 11.278 -2.482 1.00 1.00 C ATOM 917 C LYS A 64 -18.655 9.899 -2.012 1.00 1.00 C ATOM 918 O LYS A 64 -17.455 9.644 -1.925 1.00 1.00 O ATOM 919 CB LYS A 64 -19.369 11.363 -3.989 1.00 1.00 C ATOM 920 CG LYS A 64 -20.123 10.130 -4.492 1.00 1.00 C ATOM 921 CD LYS A 64 -21.098 10.504 -5.612 1.00 1.00 C ATOM 922 CE LYS A 64 -22.532 10.581 -5.084 1.00 1.00 C ATOM 923 NZ LYS A 64 -22.732 11.822 -4.304 1.00 1.00 N ATOM 0 H LYS A 64 -17.737 12.810 -2.829 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.090 11.463 -2.014 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -19.941 12.262 -4.217 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -18.417 11.450 -4.512 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -19.412 9.388 -4.856 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.669 9.671 -3.668 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -20.813 11.464 -6.043 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -21.040 9.766 -6.412 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -23.234 10.551 -5.917 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -22.742 9.714 -4.458 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -23.710 11.858 -3.953 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -22.075 11.835 -3.498 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -22.552 12.647 -4.911 1.00 1.00 H new ATOM 936 N CYS A 65 -19.627 9.046 -1.722 1.00 1.00 N ATOM 937 CA CYS A 65 -19.328 7.700 -1.264 1.00 1.00 C ATOM 938 C CYS A 65 -18.635 6.947 -2.402 1.00 1.00 C ATOM 939 O CYS A 65 -17.501 6.495 -2.252 1.00 1.00 O ATOM 940 CB CYS A 65 -20.586 6.975 -0.783 1.00 1.00 C ATOM 941 SG CYS A 65 -21.963 8.073 -0.287 1.00 1.00 S ATOM 0 H CYS A 65 -20.621 9.261 -1.795 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.662 7.746 -0.402 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -20.934 6.315 -1.578 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.322 6.342 0.064 1.00 1.00 H new ATOM 0 HG CYS A 65 -22.974 7.353 0.099 1.00 1.00 H new ATOM 946 N GLY A 66 -19.347 6.836 -3.514 1.00 1.00 N ATOM 947 CA GLY A 66 -18.815 6.146 -4.677 1.00 1.00 C ATOM 948 C GLY A 66 -17.373 6.576 -4.958 1.00 1.00 C ATOM 949 O GLY A 66 -16.610 5.836 -5.575 1.00 1.00 O ATOM 0 H GLY A 66 -20.287 7.212 -3.634 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -18.852 5.069 -4.514 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.437 6.358 -5.546 1.00 1.00 H new ATOM 953 N GLU A 67 -17.045 7.772 -4.492 1.00 1.00 N ATOM 954 CA GLU A 67 -15.710 8.311 -4.685 1.00 1.00 C ATOM 955 C GLU A 67 -14.726 7.650 -3.718 1.00 1.00 C ATOM 956 O GLU A 67 -13.568 7.422 -4.064 1.00 1.00 O ATOM 957 CB GLU A 67 -15.703 9.832 -4.521 1.00 1.00 C ATOM 958 CG GLU A 67 -16.505 10.507 -5.636 1.00 1.00 C ATOM 959 CD GLU A 67 -15.785 10.387 -6.980 1.00 1.00 C ATOM 960 OE1 GLU A 67 -14.796 9.647 -7.090 1.00 1.00 O ATOM 961 OE2 GLU A 67 -16.289 11.095 -7.934 1.00 1.00 O ATOM 0 H GLU A 67 -17.682 8.383 -3.981 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.393 8.088 -5.704 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.125 10.099 -3.552 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.676 10.198 -4.534 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.492 10.050 -5.706 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.657 11.559 -5.394 1.00 1.00 H new ATOM 969 N CYS A 68 -15.223 7.362 -2.524 1.00 1.00 N ATOM 970 CA CYS A 68 -14.402 6.733 -1.503 1.00 1.00 C ATOM 971 C CYS A 68 -14.630 5.221 -1.568 1.00 1.00 C ATOM 972 O CYS A 68 -13.681 4.443 -1.628 1.00 1.00 O ATOM 973 CB CYS A 68 -14.700 7.295 -0.112 1.00 1.00 C ATOM 974 SG CYS A 68 -13.518 8.634 0.287 1.00 1.00 S ATOM 0 H CYS A 68 -16.184 7.553 -2.241 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.351 6.950 -1.693 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.720 7.676 -0.076 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.629 6.502 0.633 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.781 9.107 1.469 1.00 1.00 H new ATOM 979 N HIS A 69 -15.909 4.843 -1.555 1.00 1.00 N ATOM 980 CA HIS A 69 -16.321 3.444 -1.609 1.00 1.00 C ATOM 981 C HIS A 69 -16.514 3.016 -3.076 1.00 1.00 C ATOM 982 O HIS A 69 -16.784 3.856 -3.935 1.00 1.00 O ATOM 983 CB HIS A 69 -17.565 3.259 -0.728 1.00 1.00 C ATOM 984 CG HIS A 69 -17.401 3.543 0.747 1.00 1.00 C ATOM 985 ND1 HIS A 69 -16.672 2.765 1.553 1.00 1.00 N ATOM 986 CD2 HIS A 69 -17.900 4.550 1.537 1.00 1.00 C ATOM 987 CE1 HIS A 69 -16.716 3.268 2.797 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.460 4.371 2.843 1.00 1.00 N ATOM 0 H HIS A 69 -16.687 5.500 -1.507 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.552 2.784 -1.207 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.354 3.905 -1.113 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -17.912 2.232 -0.840 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.165 1.926 1.269 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.535 5.355 1.196 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.213 2.834 3.649 1.00 1.00 H new ATOM 996 N LYS A 70 -16.370 1.721 -3.312 1.00 1.00 N ATOM 997 CA LYS A 70 -16.526 1.183 -4.652 1.00 1.00 C ATOM 998 C LYS A 70 -17.458 -0.031 -4.605 1.00 1.00 C ATOM 999 O LYS A 70 -17.151 -1.028 -3.953 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.160 0.884 -5.273 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.287 0.613 -6.774 1.00 1.00 C ATOM 1002 CD LYS A 70 -14.883 1.843 -7.589 1.00 1.00 C ATOM 1003 CE LYS A 70 -15.012 1.572 -9.090 1.00 1.00 C ATOM 1004 NZ LYS A 70 -13.694 1.694 -9.753 1.00 1.00 N ATOM 0 H LYS A 70 -16.147 1.028 -2.597 1.00 1.00 H new ATOM 0 HA LYS A 70 -16.993 1.920 -5.305 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -14.489 1.727 -5.108 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -14.714 0.020 -4.780 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -14.657 -0.233 -7.049 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -16.314 0.336 -7.012 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -15.512 2.689 -7.313 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -13.855 2.119 -7.353 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -15.416 0.573 -9.252 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -15.716 2.276 -9.534 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -13.799 1.507 -10.771 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -13.323 2.656 -9.614 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -13.033 1.005 -9.341 1.00 1.00 H new ATOM 1017 N LYS A 71 -18.577 0.094 -5.303 1.00 1.00 N ATOM 1018 CA LYS A 71 -19.554 -0.979 -5.348 1.00 1.00 C ATOM 1019 C LYS A 71 -19.883 -1.303 -6.807 1.00 1.00 C ATOM 1020 O LYS A 71 -20.757 -0.677 -7.405 1.00 1.00 O ATOM 1021 CB LYS A 71 -20.781 -0.622 -4.507 1.00 1.00 C ATOM 1022 CG LYS A 71 -20.774 -1.382 -3.178 1.00 1.00 C ATOM 1023 CD LYS A 71 -22.139 -1.299 -2.492 1.00 1.00 C ATOM 1024 CE LYS A 71 -22.486 -2.620 -1.802 1.00 1.00 C ATOM 1025 NZ LYS A 71 -22.784 -3.667 -2.806 1.00 1.00 N ATOM 0 H LYS A 71 -18.828 0.923 -5.842 1.00 1.00 H new ATOM 0 HA LYS A 71 -19.144 -1.886 -4.904 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -20.796 0.451 -4.316 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -21.689 -0.860 -5.062 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -20.514 -2.426 -3.353 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -20.008 -0.968 -2.522 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -22.133 -0.492 -1.759 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -22.906 -1.056 -3.228 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -21.655 -2.938 -1.173 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -23.346 -2.480 -1.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -23.346 -4.422 -2.364 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -23.322 -3.251 -3.593 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -21.894 -4.064 -3.168 1.00 1.00 H new