USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 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 20 HIS : no HE2:sc= -1.14 K(o=-5.5,f=-6.3) USER MOD Set 1.2: A 55 HIS : no HD1:sc= -4.33! C(o=-5.5!,f=-5.7!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -2.8! C(o=-6.9!,f=-11!) USER MOD Set 2.2: A 21 GLN : amide:sc= -3.28! C(o=-6.9!,f=-12!) USER MOD Set 2.3: A 31 HIS :FLIP no HE2:sc= -0.802 F(o=-8.6!,f=-6.9) USER MOD Set 3.1: A 10 ASN :FLIP amide:sc= -3.37! C(o=-5.5!,f=-3.3!) USER MOD Set 3.2: A 47 HIS : no HD1:sc= -0.0362 X(o=-3.3,f=-3.3) USER MOD Set 3.3: A 69 HIS : no HE2:sc= 0.139 K(o=-3.3,f=-4.3) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 158:sc= -0.582 (180deg=-1.21) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.122) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -158:sc= -0.0497 (180deg=-0.326) USER MOD Single : A 65 CYS SG : rot 67:sc= 0.141 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= 0.211 (180deg=0.094) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0906) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 2.058 2.560 -2.094 1.00 1.00 N ATOM 12 CA ASP A 2 1.467 3.793 -2.585 1.00 1.00 C ATOM 13 C ASP A 2 -0.044 3.604 -2.735 1.00 1.00 C ATOM 14 O ASP A 2 -0.666 4.216 -3.602 1.00 1.00 O ATOM 15 CB ASP A 2 2.034 4.170 -3.954 1.00 1.00 C ATOM 16 CG ASP A 2 2.142 3.013 -4.950 1.00 1.00 C ATOM 17 OD1 ASP A 2 2.697 1.950 -4.637 1.00 1.00 O ATOM 18 OD2 ASP A 2 1.619 3.240 -6.108 1.00 1.00 O ATOM 0 HA ASP A 2 1.696 4.584 -1.871 1.00 1.00 H new ATOM 0 HB2 ASP A 2 1.406 4.947 -4.389 1.00 1.00 H new ATOM 0 HB3 ASP A 2 3.025 4.603 -3.814 1.00 1.00 H new ATOM 24 N ASP A 3 -0.590 2.754 -1.877 1.00 1.00 N ATOM 25 CA ASP A 3 -2.016 2.476 -1.904 1.00 1.00 C ATOM 26 C ASP A 3 -2.416 1.758 -0.613 1.00 1.00 C ATOM 27 O ASP A 3 -1.820 0.743 -0.254 1.00 1.00 O ATOM 28 CB ASP A 3 -2.379 1.570 -3.081 1.00 1.00 C ATOM 29 CG ASP A 3 -2.664 2.301 -4.395 1.00 1.00 C ATOM 30 OD1 ASP A 3 -1.873 2.232 -5.348 1.00 1.00 O ATOM 31 OD2 ASP A 3 -3.766 2.970 -4.419 1.00 1.00 O ATOM 0 H ASP A 3 -0.070 2.249 -1.159 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.542 3.425 -2.005 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -1.563 0.866 -3.244 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -3.257 0.983 -2.811 1.00 1.00 H new ATOM 37 N ILE A 4 -3.421 2.311 0.047 1.00 1.00 N ATOM 38 CA ILE A 4 -3.907 1.737 1.290 1.00 1.00 C ATOM 39 C ILE A 4 -5.394 1.406 1.146 1.00 1.00 C ATOM 40 O ILE A 4 -6.226 2.306 1.044 1.00 1.00 O ATOM 41 CB ILE A 4 -3.593 2.661 2.468 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.095 2.963 2.544 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.128 2.081 3.778 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.695 3.401 3.954 1.00 1.00 C ATOM 0 H ILE A 4 -3.913 3.152 -0.255 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.391 0.801 1.505 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.105 3.609 2.304 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.527 2.077 2.260 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.842 3.747 1.830 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.891 2.758 4.599 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.209 1.960 3.708 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.666 1.111 3.962 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.625 3.609 3.981 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.247 4.301 4.226 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.927 2.605 4.662 1.00 1.00 H new ATOM 51 N VAL A 5 -5.683 0.113 1.145 1.00 1.00 N ATOM 52 CA VAL A 5 -7.056 -0.347 1.015 1.00 1.00 C ATOM 53 C VAL A 5 -7.661 -0.527 2.409 1.00 1.00 C ATOM 54 O VAL A 5 -7.091 -1.219 3.253 1.00 1.00 O ATOM 55 CB VAL A 5 -7.103 -1.623 0.174 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.539 -2.125 0.018 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.448 -1.403 -1.192 1.00 1.00 C ATOM 0 H VAL A 5 -4.990 -0.631 1.232 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.660 0.394 0.490 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.535 -2.391 0.699 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.543 -3.033 -0.584 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.958 -2.339 1.001 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.140 -1.360 -0.474 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.495 -2.326 -1.771 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.976 -0.613 -1.726 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.406 -1.114 -1.054 1.00 1.00 H new ATOM 63 N LEU A 6 -8.808 0.105 2.607 1.00 1.00 N ATOM 64 CA LEU A 6 -9.497 0.023 3.884 1.00 1.00 C ATOM 65 C LEU A 6 -10.684 -0.934 3.757 1.00 1.00 C ATOM 66 O LEU A 6 -11.820 -0.499 3.568 1.00 1.00 O ATOM 67 CB LEU A 6 -9.883 1.419 4.376 1.00 1.00 C ATOM 68 CG LEU A 6 -8.746 2.442 4.452 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.279 3.866 4.281 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.949 2.279 5.748 1.00 1.00 C ATOM 0 H LEU A 6 -9.278 0.676 1.905 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.836 -0.387 4.648 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.657 1.814 3.717 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.326 1.324 5.367 1.00 1.00 H new ATOM 0 HG LEU A 6 -8.060 2.254 3.626 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.452 4.574 4.339 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.768 3.958 3.311 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.998 4.083 5.071 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -7.148 3.017 5.778 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.610 2.426 6.602 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.521 1.277 5.789 1.00 1.00 H new ATOM 78 N LYS A 7 -10.382 -2.219 3.866 1.00 1.00 N ATOM 79 CA LYS A 7 -11.409 -3.241 3.767 1.00 1.00 C ATOM 80 C LYS A 7 -12.686 -2.744 4.448 1.00 1.00 C ATOM 81 O LYS A 7 -12.677 -2.428 5.637 1.00 1.00 O ATOM 82 CB LYS A 7 -10.897 -4.573 4.319 1.00 1.00 C ATOM 83 CG LYS A 7 -10.019 -5.291 3.293 1.00 1.00 C ATOM 84 CD LYS A 7 -9.932 -6.788 3.596 1.00 1.00 C ATOM 85 CE LYS A 7 -8.612 -7.133 4.287 1.00 1.00 C ATOM 86 NZ LYS A 7 -8.820 -8.184 5.308 1.00 1.00 N ATOM 0 H LYS A 7 -9.439 -2.576 4.022 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.657 -3.430 2.722 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.327 -4.397 5.231 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.741 -5.208 4.588 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -10.426 -5.142 2.293 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.019 -4.857 3.298 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.767 -7.083 4.232 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.021 -7.356 2.670 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -7.886 -7.474 3.548 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -8.196 -6.241 4.755 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -7.914 -8.406 5.767 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -9.496 -7.845 6.022 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -9.197 -9.040 4.853 1.00 1.00 H new ATOM 99 N ALA A 8 -13.754 -2.688 3.665 1.00 1.00 N ATOM 100 CA ALA A 8 -15.035 -2.234 4.178 1.00 1.00 C ATOM 101 C ALA A 8 -16.100 -3.290 3.881 1.00 1.00 C ATOM 102 O ALA A 8 -15.849 -4.240 3.141 1.00 1.00 O ATOM 103 CB ALA A 8 -15.376 -0.873 3.567 1.00 1.00 C ATOM 0 H ALA A 8 -13.758 -2.950 2.679 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.992 -2.104 5.259 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.337 -0.532 3.952 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.603 -0.152 3.831 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.431 -0.965 2.482 1.00 1.00 H new ATOM 109 N LYS A 9 -17.268 -3.089 4.474 1.00 1.00 N ATOM 110 CA LYS A 9 -18.374 -4.012 4.283 1.00 1.00 C ATOM 111 C LYS A 9 -19.242 -3.527 3.120 1.00 1.00 C ATOM 112 O LYS A 9 -19.605 -4.310 2.243 1.00 1.00 O ATOM 113 CB LYS A 9 -19.146 -4.200 5.590 1.00 1.00 C ATOM 114 CG LYS A 9 -19.746 -5.606 5.674 1.00 1.00 C ATOM 115 CD LYS A 9 -20.151 -5.944 7.111 1.00 1.00 C ATOM 116 CE LYS A 9 -19.425 -7.196 7.606 1.00 1.00 C ATOM 117 NZ LYS A 9 -20.281 -8.392 7.436 1.00 1.00 N ATOM 0 H LYS A 9 -17.472 -2.300 5.087 1.00 1.00 H new ATOM 0 HA LYS A 9 -18.003 -5.001 4.014 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.481 -4.033 6.437 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.940 -3.457 5.658 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -20.617 -5.673 5.022 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -19.021 -6.337 5.315 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -19.920 -5.103 7.765 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -21.229 -6.100 7.162 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -18.494 -7.326 7.054 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -19.159 -7.078 8.656 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -19.774 -9.233 7.777 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -21.158 -8.272 7.982 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -20.514 -8.512 6.430 1.00 1.00 H new ATOM 130 N ASN A 10 -19.550 -2.239 3.150 1.00 1.00 N ATOM 131 CA ASN A 10 -20.369 -1.641 2.109 1.00 1.00 C ATOM 132 C ASN A 10 -19.526 -1.458 0.845 1.00 1.00 C ATOM 133 O ASN A 10 -20.060 -1.176 -0.226 1.00 1.00 O ATOM 134 CB ASN A 10 -20.884 -0.265 2.536 1.00 1.00 C ATOM 135 CG ASN A 10 -20.088 0.853 1.860 1.00 1.00 C ATOM 136 OD1 ASN A 10 -19.367 1.588 2.701 1.00 1.00 O flip ATOM 137 ND2 ASN A 10 -20.126 1.036 0.654 1.00 1.00 N flip ATOM 0 H ASN A 10 -19.247 -1.593 3.879 1.00 1.00 H new ATOM 0 HA ASN A 10 -21.216 -2.302 1.925 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.939 -0.172 2.279 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.810 -0.165 3.619 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -20.701 0.434 0.065 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -19.583 1.791 0.235 1.00 1.00 H new ATOM 143 N GLY A 11 -18.222 -1.628 1.012 1.00 1.00 N ATOM 144 CA GLY A 11 -17.301 -1.485 -0.102 1.00 1.00 C ATOM 145 C GLY A 11 -15.957 -0.923 0.367 1.00 1.00 C ATOM 146 O GLY A 11 -15.914 -0.014 1.193 1.00 1.00 O ATOM 0 H GLY A 11 -17.782 -1.863 1.902 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.148 -2.453 -0.579 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -17.733 -0.824 -0.854 1.00 1.00 H new ATOM 150 N ASP A 12 -14.892 -1.488 -0.182 1.00 1.00 N ATOM 151 CA ASP A 12 -13.550 -1.055 0.169 1.00 1.00 C ATOM 152 C ASP A 12 -13.341 0.382 -0.312 1.00 1.00 C ATOM 153 O ASP A 12 -14.080 0.869 -1.167 1.00 1.00 O ATOM 154 CB ASP A 12 -12.494 -1.936 -0.502 1.00 1.00 C ATOM 155 CG ASP A 12 -12.679 -3.440 -0.293 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.090 -3.889 0.788 1.00 1.00 O ATOM 157 OD2 ASP A 12 -12.377 -4.174 -1.310 1.00 1.00 O ATOM 0 H ASP A 12 -14.931 -2.242 -0.868 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.445 -1.126 1.252 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -12.498 -1.730 -1.572 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -11.512 -1.650 -0.126 1.00 1.00 H new ATOM 163 N VAL A 13 -12.330 1.022 0.258 1.00 1.00 N ATOM 164 CA VAL A 13 -12.015 2.394 -0.101 1.00 1.00 C ATOM 165 C VAL A 13 -10.605 2.450 -0.691 1.00 1.00 C ATOM 166 O VAL A 13 -9.659 1.931 -0.100 1.00 1.00 O ATOM 167 CB VAL A 13 -12.190 3.307 1.115 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.427 4.620 0.929 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.672 3.569 1.394 1.00 1.00 C ATOM 0 H VAL A 13 -11.719 0.615 0.966 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.703 2.757 -0.865 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.771 2.796 1.981 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.568 5.250 1.807 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.365 4.409 0.801 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -11.803 5.138 0.047 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.769 4.220 2.263 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.126 4.050 0.527 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -14.178 2.624 1.591 1.00 1.00 H new ATOM 175 N LYS A 14 -10.508 3.084 -1.850 1.00 1.00 N ATOM 176 CA LYS A 14 -9.230 3.215 -2.528 1.00 1.00 C ATOM 177 C LYS A 14 -8.565 4.528 -2.107 1.00 1.00 C ATOM 178 O LYS A 14 -8.852 5.582 -2.673 1.00 1.00 O ATOM 179 CB LYS A 14 -9.407 3.074 -4.040 1.00 1.00 C ATOM 180 CG LYS A 14 -8.076 3.274 -4.770 1.00 1.00 C ATOM 181 CD LYS A 14 -7.130 2.101 -4.515 1.00 1.00 C ATOM 182 CE LYS A 14 -6.882 1.306 -5.799 1.00 1.00 C ATOM 183 NZ LYS A 14 -7.500 -0.035 -5.706 1.00 1.00 N ATOM 0 H LYS A 14 -11.295 3.513 -2.337 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.559 2.408 -2.233 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -9.808 2.088 -4.272 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.134 3.805 -4.394 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -8.256 3.375 -5.840 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.610 4.201 -4.436 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -6.182 2.472 -4.124 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.554 1.446 -3.754 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -7.294 1.844 -6.652 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -5.810 1.208 -5.972 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -7.322 -0.561 -6.585 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -7.088 -0.552 -4.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -8.525 0.064 -5.563 1.00 1.00 H new ATOM 196 N PHE A 15 -7.693 4.422 -1.116 1.00 1.00 N ATOM 197 CA PHE A 15 -6.986 5.588 -0.613 1.00 1.00 C ATOM 198 C PHE A 15 -5.485 5.479 -0.884 1.00 1.00 C ATOM 199 O PHE A 15 -4.775 4.656 -0.310 1.00 1.00 O ATOM 200 CB PHE A 15 -7.217 5.633 0.899 1.00 1.00 C ATOM 201 CG PHE A 15 -6.863 6.974 1.543 1.00 1.00 C ATOM 202 CD1 PHE A 15 -7.110 8.134 0.877 1.00 1.00 C ATOM 203 CD2 PHE A 15 -6.301 7.007 2.781 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.781 9.380 1.475 1.00 1.00 C ATOM 205 CE2 PHE A 15 -5.973 8.252 3.379 1.00 1.00 C ATOM 206 CZ PHE A 15 -6.220 9.413 2.713 1.00 1.00 C ATOM 0 H PHE A 15 -7.460 3.547 -0.647 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.353 6.487 -1.108 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.264 5.409 1.103 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.625 4.848 1.370 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.556 8.108 -0.106 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -6.104 6.086 3.309 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.977 10.301 0.946 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -5.527 8.278 4.362 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.970 10.360 3.168 1.00 1.00 H new ATOM 216 N PRO A 16 -5.010 6.341 -1.786 1.00 1.00 N ATOM 217 CA PRO A 16 -3.623 6.415 -2.194 1.00 1.00 C ATOM 218 C PRO A 16 -2.849 7.283 -1.213 1.00 1.00 C ATOM 219 O PRO A 16 -2.919 8.506 -1.309 1.00 1.00 O ATOM 220 CB PRO A 16 -3.656 7.052 -3.581 1.00 1.00 C ATOM 221 CG PRO A 16 -4.865 7.976 -3.480 1.00 1.00 C ATOM 222 CD PRO A 16 -5.816 7.322 -2.481 1.00 1.00 C ATOM 0 HA PRO A 16 -3.133 5.441 -2.213 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.740 7.601 -3.799 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.776 6.308 -4.368 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.569 8.969 -3.143 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.344 8.098 -4.451 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.228 8.056 -1.789 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.659 6.853 -2.988 1.00 1.00 H new ATOM 230 N HIS A 17 -2.128 6.645 -0.290 1.00 1.00 N ATOM 231 CA HIS A 17 -1.336 7.341 0.717 1.00 1.00 C ATOM 232 C HIS A 17 -0.218 8.149 0.033 1.00 1.00 C ATOM 233 O HIS A 17 -0.127 9.361 0.224 1.00 1.00 O ATOM 234 CB HIS A 17 -0.836 6.320 1.750 1.00 1.00 C ATOM 235 CG HIS A 17 -0.171 6.876 2.988 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.153 7.041 3.081 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.694 7.300 4.185 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.442 7.548 4.290 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.337 7.728 5.013 1.00 1.00 N ATOM 0 H HIS A 17 -2.079 5.628 -0.222 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.936 8.069 1.263 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.684 5.711 2.064 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.130 5.653 1.255 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.832 6.818 2.353 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.743 7.301 4.443 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.440 7.780 4.632 1.00 1.00 H new ATOM 247 N LYS A 18 0.594 7.449 -0.744 1.00 1.00 N ATOM 248 CA LYS A 18 1.691 8.088 -1.450 1.00 1.00 C ATOM 249 C LYS A 18 1.206 9.411 -2.045 1.00 1.00 C ATOM 250 O LYS A 18 1.984 10.352 -2.190 1.00 1.00 O ATOM 251 CB LYS A 18 2.293 7.132 -2.482 1.00 1.00 C ATOM 252 CG LYS A 18 2.963 7.906 -3.620 1.00 1.00 C ATOM 253 CD LYS A 18 4.200 8.654 -3.121 1.00 1.00 C ATOM 254 CE LYS A 18 5.389 8.435 -4.059 1.00 1.00 C ATOM 255 NZ LYS A 18 6.373 9.530 -3.913 1.00 1.00 N ATOM 0 H LYS A 18 0.514 6.444 -0.901 1.00 1.00 H new ATOM 0 HA LYS A 18 2.501 8.326 -0.761 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.024 6.483 -1.999 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.512 6.488 -2.886 1.00 1.00 H new ATOM 0 HG2 LYS A 18 3.247 7.217 -4.415 1.00 1.00 H new ATOM 0 HG3 LYS A 18 2.254 8.614 -4.049 1.00 1.00 H new ATOM 0 HD2 LYS A 18 3.981 9.719 -3.049 1.00 1.00 H new ATOM 0 HD3 LYS A 18 4.456 8.313 -2.118 1.00 1.00 H new ATOM 0 HE2 LYS A 18 5.864 7.479 -3.837 1.00 1.00 H new ATOM 0 HE3 LYS A 18 5.041 8.386 -5.091 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 7.173 9.366 -4.557 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 5.921 10.437 -4.147 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 6.718 9.558 -2.932 1.00 1.00 H new ATOM 268 N ALA A 19 -0.077 9.440 -2.375 1.00 1.00 N ATOM 269 CA ALA A 19 -0.675 10.632 -2.951 1.00 1.00 C ATOM 270 C ALA A 19 -0.881 11.676 -1.852 1.00 1.00 C ATOM 271 O ALA A 19 -0.561 12.850 -2.030 1.00 1.00 O ATOM 272 CB ALA A 19 -1.982 10.259 -3.654 1.00 1.00 C ATOM 0 H ALA A 19 -0.719 8.657 -2.254 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.015 11.069 -3.701 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.431 11.153 -4.086 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.777 9.538 -4.445 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.671 9.820 -2.932 1.00 1.00 H new ATOM 278 N HIS A 20 -1.420 11.210 -0.725 1.00 1.00 N ATOM 279 CA HIS A 20 -1.691 12.056 0.432 1.00 1.00 C ATOM 280 C HIS A 20 -0.398 12.259 1.242 1.00 1.00 C ATOM 281 O HIS A 20 -0.445 12.760 2.365 1.00 1.00 O ATOM 282 CB HIS A 20 -2.850 11.444 1.234 1.00 1.00 C ATOM 283 CG HIS A 20 -4.249 11.782 0.772 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.693 11.490 -0.453 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.292 12.402 1.420 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.962 11.911 -0.566 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.381 12.482 0.562 1.00 1.00 N ATOM 0 H HIS A 20 -1.681 10.233 -0.591 1.00 1.00 H new ATOM 0 HA HIS A 20 -2.011 13.054 0.131 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.739 10.360 1.218 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.749 11.760 2.272 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.155 11.023 -1.183 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -5.268 12.769 2.436 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.565 11.801 -1.455 1.00 1.00 H new ATOM 295 N GLN A 21 0.715 11.863 0.643 1.00 1.00 N ATOM 296 CA GLN A 21 2.006 11.998 1.296 1.00 1.00 C ATOM 297 C GLN A 21 2.775 13.185 0.710 1.00 1.00 C ATOM 298 O GLN A 21 3.751 13.648 1.297 1.00 1.00 O ATOM 299 CB GLN A 21 2.817 10.708 1.179 1.00 1.00 C ATOM 300 CG GLN A 21 3.698 10.500 2.413 1.00 1.00 C ATOM 301 CD GLN A 21 4.118 9.034 2.546 1.00 1.00 C ATOM 302 OE1 GLN A 21 3.304 8.126 2.538 1.00 1.00 O ATOM 303 NE2 GLN A 21 5.430 8.857 2.671 1.00 1.00 N ATOM 0 H GLN A 21 0.750 11.448 -0.288 1.00 1.00 H new ATOM 0 HA GLN A 21 1.837 12.187 2.356 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.143 9.860 1.062 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.440 10.746 0.285 1.00 1.00 H new ATOM 0 HG2 GLN A 21 4.584 11.131 2.342 1.00 1.00 H new ATOM 0 HG3 GLN A 21 3.157 10.810 3.307 1.00 1.00 H new ATOM 0 HE21 GLN A 21 6.056 9.663 2.670 1.00 1.00 H new ATOM 0 HE22 GLN A 21 5.811 7.916 2.768 1.00 1.00 H new ATOM 311 N LYS A 22 2.306 13.643 -0.441 1.00 1.00 N ATOM 312 CA LYS A 22 2.937 14.767 -1.113 1.00 1.00 C ATOM 313 C LYS A 22 1.968 15.950 -1.138 1.00 1.00 C ATOM 314 O LYS A 22 2.386 17.097 -1.287 1.00 1.00 O ATOM 315 CB LYS A 22 3.436 14.351 -2.498 1.00 1.00 C ATOM 316 CG LYS A 22 4.214 15.487 -3.164 1.00 1.00 C ATOM 317 CD LYS A 22 4.719 15.069 -4.547 1.00 1.00 C ATOM 318 CE LYS A 22 6.110 14.442 -4.456 1.00 1.00 C ATOM 319 NZ LYS A 22 7.129 15.357 -5.018 1.00 1.00 N ATOM 0 H LYS A 22 1.496 13.256 -0.926 1.00 1.00 H new ATOM 0 HA LYS A 22 3.822 15.091 -0.565 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.074 13.472 -2.410 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.589 14.069 -3.124 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.575 16.365 -3.256 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.058 15.772 -2.536 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.024 14.357 -4.992 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.750 15.938 -5.205 1.00 1.00 H new ATOM 0 HE2 LYS A 22 6.347 14.219 -3.416 1.00 1.00 H new ATOM 0 HE3 LYS A 22 6.125 13.496 -4.997 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 8.068 14.916 -4.948 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 6.910 15.549 -6.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 7.126 16.250 -4.485 1.00 1.00 H new ATOM 332 N ALA A 23 0.691 15.632 -0.990 1.00 1.00 N ATOM 333 CA ALA A 23 -0.342 16.654 -0.993 1.00 1.00 C ATOM 334 C ALA A 23 -0.293 17.427 0.327 1.00 1.00 C ATOM 335 O ALA A 23 -1.023 18.401 0.507 1.00 1.00 O ATOM 336 CB ALA A 23 -1.705 16.004 -1.239 1.00 1.00 C ATOM 0 H ALA A 23 0.347 14.680 -0.867 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.172 17.368 -1.799 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.479 16.771 -1.241 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.697 15.495 -2.203 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.912 15.282 -0.449 1.00 1.00 H new ATOM 391 N LYS A 28 1.510 15.447 9.192 1.00 1.00 N ATOM 392 CA LYS A 28 1.417 15.718 10.615 1.00 1.00 C ATOM 393 C LYS A 28 0.020 16.250 10.940 1.00 1.00 C ATOM 394 O LYS A 28 -0.321 16.440 12.106 1.00 1.00 O ATOM 395 CB LYS A 28 2.548 16.650 11.059 1.00 1.00 C ATOM 396 CG LYS A 28 2.584 16.783 12.583 1.00 1.00 C ATOM 397 CD LYS A 28 3.523 17.911 13.013 1.00 1.00 C ATOM 398 CE LYS A 28 4.858 17.354 13.509 1.00 1.00 C ATOM 399 NZ LYS A 28 5.910 18.393 13.442 1.00 1.00 N ATOM 0 HA LYS A 28 1.549 14.799 11.186 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.503 16.265 10.702 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.412 17.633 10.608 1.00 1.00 H new ATOM 0 HG2 LYS A 28 1.579 16.978 12.958 1.00 1.00 H new ATOM 0 HG3 LYS A 28 2.913 15.843 13.026 1.00 1.00 H new ATOM 0 HD2 LYS A 28 3.695 18.585 12.174 1.00 1.00 H new ATOM 0 HD3 LYS A 28 3.054 18.498 13.803 1.00 1.00 H new ATOM 0 HE2 LYS A 28 4.753 17.000 14.535 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.148 16.495 12.904 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.810 17.998 13.782 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 6.022 18.711 12.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 5.639 19.201 14.038 1.00 1.00 H new ATOM 412 N LYS A 29 -0.752 16.476 9.886 1.00 1.00 N ATOM 413 CA LYS A 29 -2.105 16.982 10.045 1.00 1.00 C ATOM 414 C LYS A 29 -3.022 15.841 10.490 1.00 1.00 C ATOM 415 O LYS A 29 -4.064 16.079 11.098 1.00 1.00 O ATOM 416 CB LYS A 29 -2.567 17.681 8.764 1.00 1.00 C ATOM 417 CG LYS A 29 -3.719 18.646 9.053 1.00 1.00 C ATOM 418 CD LYS A 29 -3.966 19.576 7.864 1.00 1.00 C ATOM 419 CE LYS A 29 -2.863 20.629 7.752 1.00 1.00 C ATOM 420 NZ LYS A 29 -3.155 21.782 8.633 1.00 1.00 N ATOM 0 H LYS A 29 -0.466 16.318 8.920 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.141 17.741 10.826 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.733 18.226 8.321 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.885 16.937 8.034 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.625 18.081 9.272 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -3.490 19.237 9.940 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -4.011 18.992 6.945 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -4.932 20.067 7.977 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -1.904 20.189 8.025 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -2.777 20.966 6.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -2.396 22.487 8.545 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -4.061 22.211 8.355 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -3.214 21.459 9.620 1.00 1.00 H new ATOM 433 N CYS A 30 -2.602 14.627 10.167 1.00 1.00 N ATOM 434 CA CYS A 30 -3.374 13.449 10.526 1.00 1.00 C ATOM 435 C CYS A 30 -2.611 12.687 11.610 1.00 1.00 C ATOM 436 O CYS A 30 -3.206 12.162 12.549 1.00 1.00 O ATOM 437 CB CYS A 30 -3.663 12.570 9.307 1.00 1.00 C ATOM 438 SG CYS A 30 -3.826 13.609 7.810 1.00 1.00 S ATOM 0 H CYS A 30 -1.738 14.433 9.661 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.347 13.752 10.913 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -2.859 11.846 9.172 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.580 12.002 9.467 1.00 1.00 H new ATOM 0 HG CYS A 30 -4.069 12.852 6.781 1.00 1.00 H new ATOM 443 N HIS A 31 -1.288 12.647 11.447 1.00 1.00 N ATOM 444 CA HIS A 31 -0.395 11.967 12.378 1.00 1.00 C ATOM 445 C HIS A 31 0.086 12.957 13.455 1.00 1.00 C ATOM 446 O HIS A 31 1.274 13.001 13.768 1.00 1.00 O ATOM 447 CB HIS A 31 0.738 11.299 11.584 1.00 1.00 C ATOM 448 CG HIS A 31 0.327 10.298 10.528 1.00 1.00 C ATOM 449 ND1 HIS A 31 0.714 10.154 9.217 1.00 1.00 N flip ATOM 450 CD2 HIS A 31 -0.557 9.324 10.765 1.00 1.00 C flip ATOM 451 CE1 HIS A 31 0.046 9.070 8.658 1.00 1.00 C flip ATOM 452 NE2 HIS A 31 -0.716 8.601 9.645 1.00 1.00 N flip ATOM 0 H HIS A 31 -0.807 13.087 10.663 1.00 1.00 H new ATOM 0 HA HIS A 31 -0.911 11.172 12.916 1.00 1.00 H new ATOM 0 HB2 HIS A 31 1.323 12.082 11.102 1.00 1.00 H new ATOM 0 HB3 HIS A 31 1.399 10.797 12.291 1.00 1.00 H new ATOM 0 HD1 HIS A 31 1.385 10.748 8.731 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -1.061 9.147 11.704 1.00 1.00 H new ATOM 0 HE1 HIS A 31 0.127 8.693 7.649 1.00 1.00 H new ATOM 460 N GLU A 32 -0.859 13.719 13.986 1.00 1.00 N ATOM 461 CA GLU A 32 -0.542 14.696 15.014 1.00 1.00 C ATOM 462 C GLU A 32 0.626 14.204 15.872 1.00 1.00 C ATOM 463 O GLU A 32 1.683 14.832 15.907 1.00 1.00 O ATOM 464 CB GLU A 32 -1.767 14.999 15.879 1.00 1.00 C ATOM 465 CG GLU A 32 -1.585 16.309 16.649 1.00 1.00 C ATOM 466 CD GLU A 32 -1.467 17.496 15.691 1.00 1.00 C ATOM 467 OE1 GLU A 32 -2.471 17.916 15.098 1.00 1.00 O ATOM 468 OE2 GLU A 32 -0.279 17.988 15.576 1.00 1.00 O ATOM 0 H GLU A 32 -1.844 13.680 13.724 1.00 1.00 H new ATOM 0 HA GLU A 32 -0.244 15.624 14.526 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -2.654 15.064 15.249 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.933 14.181 16.580 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.431 16.461 17.320 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.692 16.249 17.271 1.00 1.00 H new ATOM 476 N LYS A 33 0.396 13.085 16.542 1.00 1.00 N ATOM 477 CA LYS A 33 1.416 12.501 17.398 1.00 1.00 C ATOM 478 C LYS A 33 2.577 12.006 16.534 1.00 1.00 C ATOM 479 O LYS A 33 3.674 12.561 16.584 1.00 1.00 O ATOM 480 CB LYS A 33 0.809 11.419 18.292 1.00 1.00 C ATOM 481 CG LYS A 33 0.448 11.983 19.669 1.00 1.00 C ATOM 482 CD LYS A 33 -0.372 10.975 20.476 1.00 1.00 C ATOM 483 CE LYS A 33 -0.822 11.577 21.808 1.00 1.00 C ATOM 484 NZ LYS A 33 0.121 11.211 22.888 1.00 1.00 N ATOM 0 H LYS A 33 -0.482 12.566 16.510 1.00 1.00 H new ATOM 0 HA LYS A 33 1.821 13.252 18.077 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.083 11.009 17.818 1.00 1.00 H new ATOM 0 HB3 LYS A 33 1.516 10.597 18.406 1.00 1.00 H new ATOM 0 HG2 LYS A 33 1.358 12.235 20.213 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -0.119 12.907 19.551 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -1.244 10.665 19.900 1.00 1.00 H new ATOM 0 HD3 LYS A 33 0.223 10.080 20.660 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -0.882 12.662 21.722 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -1.822 11.221 22.055 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -0.200 11.628 23.785 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 0.158 10.176 22.981 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 1.069 11.572 22.658 1.00 1.00 H new ATOM 497 N GLY A 34 2.297 10.966 15.761 1.00 1.00 N ATOM 498 CA GLY A 34 3.305 10.391 14.887 1.00 1.00 C ATOM 499 C GLY A 34 2.701 9.301 13.999 1.00 1.00 C ATOM 500 O GLY A 34 1.513 8.994 14.058 1.00 1.00 O ATOM 0 H GLY A 34 1.387 10.507 15.722 1.00 1.00 H new ATOM 0 HA2 GLY A 34 3.741 11.173 14.265 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.114 9.972 15.485 1.00 1.00 H new ATOM 504 N PRO A 35 3.561 8.716 13.162 1.00 1.00 N ATOM 505 CA PRO A 35 3.208 7.662 12.234 1.00 1.00 C ATOM 506 C PRO A 35 2.666 6.466 13.003 1.00 1.00 C ATOM 507 O PRO A 35 2.206 6.643 14.130 1.00 1.00 O ATOM 508 CB PRO A 35 4.513 7.311 11.524 1.00 1.00 C ATOM 509 CG PRO A 35 5.641 7.779 12.562 1.00 1.00 C ATOM 510 CD PRO A 35 4.965 9.051 13.066 1.00 1.00 C ATOM 0 HA PRO A 35 2.436 7.962 11.526 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.580 6.244 11.312 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.604 7.832 10.571 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.817 7.051 13.353 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.602 7.970 12.085 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.365 9.354 14.033 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.126 9.882 12.380 1.00 1.00 H new ATOM 518 N GLY A 36 2.727 5.291 12.393 1.00 1.00 N ATOM 519 CA GLY A 36 2.236 4.086 13.040 1.00 1.00 C ATOM 520 C GLY A 36 0.710 4.004 12.959 1.00 1.00 C ATOM 521 O GLY A 36 0.050 4.981 12.607 1.00 1.00 O ATOM 0 H GLY A 36 3.109 5.148 11.458 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.677 3.209 12.566 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.550 4.076 14.084 1.00 1.00 H new ATOM 525 N LYS A 37 0.194 2.829 13.289 1.00 1.00 N ATOM 526 CA LYS A 37 -1.242 2.607 13.258 1.00 1.00 C ATOM 527 C LYS A 37 -1.942 3.713 14.047 1.00 1.00 C ATOM 528 O LYS A 37 -1.669 3.903 15.233 1.00 1.00 O ATOM 529 CB LYS A 37 -1.576 1.196 13.747 1.00 1.00 C ATOM 530 CG LYS A 37 -1.083 0.981 15.179 1.00 1.00 C ATOM 531 CD LYS A 37 0.169 0.102 15.202 1.00 1.00 C ATOM 532 CE LYS A 37 1.022 0.397 16.437 1.00 1.00 C ATOM 533 NZ LYS A 37 1.344 -0.856 17.156 1.00 1.00 N ATOM 0 H LYS A 37 0.744 2.021 13.579 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.614 2.662 12.235 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -2.653 1.037 13.702 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -1.117 0.460 13.086 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.864 1.944 15.640 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.870 0.515 15.772 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.120 -0.949 15.198 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.756 0.275 14.300 1.00 1.00 H new ATOM 0 HE2 LYS A 37 1.942 0.899 16.139 1.00 1.00 H new ATOM 0 HE3 LYS A 37 0.488 1.077 17.101 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 1.923 -0.638 17.992 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 0.463 -1.320 17.457 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 1.872 -1.492 16.525 1.00 1.00 H new ATOM 546 N ILE A 38 -2.832 4.415 13.361 1.00 1.00 N ATOM 547 CA ILE A 38 -3.573 5.498 13.984 1.00 1.00 C ATOM 548 C ILE A 38 -4.510 4.923 15.048 1.00 1.00 C ATOM 549 O ILE A 38 -5.674 4.640 14.768 1.00 1.00 O ATOM 550 CB ILE A 38 -4.289 6.338 12.924 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.288 7.155 12.104 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.366 7.220 13.557 1.00 1.00 C ATOM 553 CD1 ILE A 38 -3.677 7.175 10.625 1.00 1.00 C ATOM 0 H ILE A 38 -3.057 4.255 12.379 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.893 6.181 14.492 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.793 5.660 12.235 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -3.246 8.175 12.486 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -2.290 6.731 12.215 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -5.859 7.806 12.781 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -6.102 6.592 14.060 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.906 7.892 14.282 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -2.949 7.762 10.065 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -3.694 6.156 10.240 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.665 7.621 10.515 1.00 1.00 H new ATOM 560 N GLU A 39 -3.967 4.767 16.247 1.00 1.00 N ATOM 561 CA GLU A 39 -4.740 4.230 17.354 1.00 1.00 C ATOM 562 C GLU A 39 -5.713 3.161 16.854 1.00 1.00 C ATOM 563 O GLU A 39 -5.292 2.126 16.340 1.00 1.00 O ATOM 564 CB GLU A 39 -5.484 5.344 18.095 1.00 1.00 C ATOM 565 CG GLU A 39 -4.503 6.296 18.781 1.00 1.00 C ATOM 566 CD GLU A 39 -4.749 6.341 20.291 1.00 1.00 C ATOM 567 OE1 GLU A 39 -5.866 6.656 20.728 1.00 1.00 O ATOM 568 OE2 GLU A 39 -3.729 6.033 21.019 1.00 1.00 O ATOM 0 H GLU A 39 -3.001 5.003 16.476 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.051 3.765 18.060 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -6.106 5.900 17.393 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -6.153 4.908 18.837 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -3.480 5.974 18.585 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -4.608 7.297 18.362 1.00 1.00 H new ATOM 576 N GLY A 40 -6.996 3.448 17.021 1.00 1.00 N ATOM 577 CA GLY A 40 -8.032 2.524 16.592 1.00 1.00 C ATOM 578 C GLY A 40 -9.003 3.200 15.622 1.00 1.00 C ATOM 579 O GLY A 40 -10.187 3.343 15.922 1.00 1.00 O ATOM 0 H GLY A 40 -7.341 4.308 17.448 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.576 1.659 16.111 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.578 2.155 17.461 1.00 1.00 H new ATOM 583 N PHE A 41 -8.466 3.597 14.478 1.00 1.00 N ATOM 584 CA PHE A 41 -9.270 4.256 13.462 1.00 1.00 C ATOM 585 C PHE A 41 -10.655 3.614 13.360 1.00 1.00 C ATOM 586 O PHE A 41 -10.792 2.399 13.488 1.00 1.00 O ATOM 587 CB PHE A 41 -8.540 4.078 12.129 1.00 1.00 C ATOM 588 CG PHE A 41 -9.315 4.603 10.920 1.00 1.00 C ATOM 589 CD1 PHE A 41 -9.226 5.916 10.573 1.00 1.00 C ATOM 590 CD2 PHE A 41 -10.093 3.759 10.191 1.00 1.00 C ATOM 591 CE1 PHE A 41 -9.946 6.403 9.451 1.00 1.00 C ATOM 592 CE2 PHE A 41 -10.813 4.247 9.069 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.724 5.559 8.722 1.00 1.00 C ATOM 0 H PHE A 41 -7.484 3.475 14.232 1.00 1.00 H new ATOM 0 HA PHE A 41 -9.403 5.308 13.716 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.579 4.590 12.182 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.329 3.019 11.981 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -8.608 6.587 11.151 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -10.163 2.717 10.466 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -9.876 7.445 9.176 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -11.431 3.576 8.491 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.271 5.930 7.868 1.00 1.00 H new ATOM 603 N GLY A 42 -11.648 4.460 13.129 1.00 1.00 N ATOM 604 CA GLY A 42 -13.018 3.992 13.008 1.00 1.00 C ATOM 605 C GLY A 42 -13.757 4.738 11.895 1.00 1.00 C ATOM 606 O GLY A 42 -13.246 5.718 11.354 1.00 1.00 O ATOM 0 H GLY A 42 -11.531 5.468 13.022 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -13.023 2.922 12.799 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.540 4.135 13.954 1.00 1.00 H new ATOM 610 N LYS A 43 -14.947 4.246 11.586 1.00 1.00 N ATOM 611 CA LYS A 43 -15.762 4.855 10.547 1.00 1.00 C ATOM 612 C LYS A 43 -16.134 6.278 10.965 1.00 1.00 C ATOM 613 O LYS A 43 -15.815 7.239 10.265 1.00 1.00 O ATOM 614 CB LYS A 43 -16.969 3.972 10.227 1.00 1.00 C ATOM 615 CG LYS A 43 -16.556 2.762 9.386 1.00 1.00 C ATOM 616 CD LYS A 43 -16.022 1.635 10.271 1.00 1.00 C ATOM 617 CE LYS A 43 -14.496 1.557 10.197 1.00 1.00 C ATOM 618 NZ LYS A 43 -14.027 0.208 10.587 1.00 1.00 N ATOM 0 H LYS A 43 -15.367 3.433 12.036 1.00 1.00 H new ATOM 0 HA LYS A 43 -15.198 4.933 9.617 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.433 3.634 11.154 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.718 4.554 9.690 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -17.411 2.404 8.813 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -15.792 3.058 8.667 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -16.332 1.800 11.303 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -16.454 0.685 9.957 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -14.163 1.786 9.185 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -14.055 2.306 10.855 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.989 0.172 10.531 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.329 0.004 11.561 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -14.433 -0.500 9.943 1.00 1.00 H new ATOM 631 N GLU A 44 -16.803 6.370 12.105 1.00 1.00 N ATOM 632 CA GLU A 44 -17.223 7.661 12.625 1.00 1.00 C ATOM 633 C GLU A 44 -16.114 8.697 12.431 1.00 1.00 C ATOM 634 O GLU A 44 -16.391 9.882 12.252 1.00 1.00 O ATOM 635 CB GLU A 44 -17.623 7.555 14.098 1.00 1.00 C ATOM 636 CG GLU A 44 -16.400 7.678 15.009 1.00 1.00 C ATOM 637 CD GLU A 44 -15.485 6.459 14.867 1.00 1.00 C ATOM 638 OE1 GLU A 44 -14.266 6.616 14.704 1.00 1.00 O ATOM 639 OE2 GLU A 44 -16.083 5.319 14.932 1.00 1.00 O ATOM 0 H GLU A 44 -17.065 5.572 12.683 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.101 7.988 12.067 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.342 8.338 14.341 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -18.119 6.601 14.276 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -15.847 8.583 14.760 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -16.723 7.776 16.046 1.00 1.00 H new ATOM 647 N MET A 45 -14.882 8.213 12.475 1.00 1.00 N ATOM 648 CA MET A 45 -13.730 9.082 12.306 1.00 1.00 C ATOM 649 C MET A 45 -13.511 9.423 10.831 1.00 1.00 C ATOM 650 O MET A 45 -13.234 10.572 10.491 1.00 1.00 O ATOM 651 CB MET A 45 -12.483 8.390 12.861 1.00 1.00 C ATOM 652 CG MET A 45 -11.741 9.301 13.842 1.00 1.00 C ATOM 653 SD MET A 45 -12.135 8.837 15.521 1.00 1.00 S ATOM 654 CE MET A 45 -13.509 9.933 15.831 1.00 1.00 C ATOM 0 H MET A 45 -14.656 7.230 12.625 1.00 1.00 H new ATOM 0 HA MET A 45 -13.915 10.009 12.849 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.769 7.465 13.363 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.820 8.116 12.041 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.666 9.227 13.678 1.00 1.00 H new ATOM 0 HG3 MET A 45 -12.019 10.340 13.668 1.00 1.00 H new ATOM 0 HE1 MET A 45 -14.117 9.534 16.643 1.00 1.00 H new ATOM 0 HE2 MET A 45 -13.133 10.918 16.109 1.00 1.00 H new ATOM 0 HE3 MET A 45 -14.117 10.017 14.931 1.00 1.00 H new ATOM 664 N ALA A 46 -13.643 8.404 9.995 1.00 1.00 N ATOM 665 CA ALA A 46 -13.464 8.581 8.564 1.00 1.00 C ATOM 666 C ALA A 46 -14.334 9.745 8.086 1.00 1.00 C ATOM 667 O ALA A 46 -13.825 10.765 7.624 1.00 1.00 O ATOM 668 CB ALA A 46 -13.791 7.272 7.842 1.00 1.00 C ATOM 0 H ALA A 46 -13.872 7.452 10.281 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.428 8.829 8.334 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.657 7.405 6.769 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.125 6.485 8.196 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.824 6.992 8.046 1.00 1.00 H new ATOM 674 N HIS A 47 -15.647 9.555 8.212 1.00 1.00 N ATOM 675 CA HIS A 47 -16.634 10.552 7.810 1.00 1.00 C ATOM 676 C HIS A 47 -16.440 11.837 8.637 1.00 1.00 C ATOM 677 O HIS A 47 -17.026 12.872 8.317 1.00 1.00 O ATOM 678 CB HIS A 47 -18.036 9.936 7.918 1.00 1.00 C ATOM 679 CG HIS A 47 -18.239 8.589 7.264 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.898 7.590 7.860 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.845 8.108 6.038 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.914 6.530 7.038 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.277 6.795 5.899 1.00 1.00 N ATOM 0 H HIS A 47 -16.055 8.703 8.597 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.503 10.847 6.769 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.286 9.842 8.975 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.749 10.636 7.483 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.287 8.664 5.299 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.382 5.585 7.270 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -18.137 6.173 5.103 1.00 1.00 H new ATOM 691 N GLY A 48 -15.623 11.728 9.673 1.00 1.00 N ATOM 692 CA GLY A 48 -15.352 12.864 10.537 1.00 1.00 C ATOM 693 C GLY A 48 -14.268 13.762 9.936 1.00 1.00 C ATOM 694 O GLY A 48 -14.252 13.998 8.729 1.00 1.00 O ATOM 0 H GLY A 48 -15.139 10.869 9.934 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.266 13.440 10.685 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -15.035 12.512 11.519 1.00 1.00 H new ATOM 698 N LYS A 49 -13.390 14.237 10.806 1.00 1.00 N ATOM 699 CA LYS A 49 -12.304 15.103 10.377 1.00 1.00 C ATOM 700 C LYS A 49 -11.033 14.270 10.198 1.00 1.00 C ATOM 701 O LYS A 49 -9.963 14.654 10.668 1.00 1.00 O ATOM 702 CB LYS A 49 -12.140 16.276 11.347 1.00 1.00 C ATOM 703 CG LYS A 49 -12.110 17.608 10.595 1.00 1.00 C ATOM 704 CD LYS A 49 -11.310 18.657 11.369 1.00 1.00 C ATOM 705 CE LYS A 49 -11.826 20.066 11.077 1.00 1.00 C ATOM 706 NZ LYS A 49 -10.739 21.059 11.228 1.00 1.00 N ATOM 0 H LYS A 49 -13.408 14.039 11.806 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.531 15.549 9.409 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.961 16.277 12.064 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -11.219 16.155 11.917 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -11.668 17.463 9.609 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -13.128 17.964 10.439 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -11.378 18.455 12.438 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -10.256 18.588 11.098 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -12.228 20.110 10.065 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -12.644 20.308 11.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -11.107 22.010 11.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -10.374 21.029 12.201 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.971 20.837 10.563 1.00 1.00 H new ATOM 719 N GLY A 50 -11.193 13.145 9.517 1.00 1.00 N ATOM 720 CA GLY A 50 -10.071 12.255 9.269 1.00 1.00 C ATOM 721 C GLY A 50 -10.257 11.488 7.959 1.00 1.00 C ATOM 722 O GLY A 50 -9.799 10.355 7.827 1.00 1.00 O ATOM 0 H GLY A 50 -12.082 12.829 9.129 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -9.147 12.832 9.228 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.971 11.551 10.095 1.00 1.00 H new ATOM 726 N CYS A 51 -10.932 12.139 7.021 1.00 1.00 N ATOM 727 CA CYS A 51 -11.185 11.532 5.726 1.00 1.00 C ATOM 728 C CYS A 51 -11.996 12.520 4.883 1.00 1.00 C ATOM 729 O CYS A 51 -11.475 13.107 3.937 1.00 1.00 O ATOM 730 CB CYS A 51 -11.892 10.182 5.861 1.00 1.00 C ATOM 731 SG CYS A 51 -11.322 8.896 4.691 1.00 1.00 S ATOM 0 H CYS A 51 -11.310 13.080 7.133 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.238 11.323 5.229 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.753 9.815 6.878 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.962 10.333 5.720 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.986 7.797 4.897 1.00 1.00 H new ATOM 736 N LYS A 52 -13.258 12.670 5.259 1.00 1.00 N ATOM 737 CA LYS A 52 -14.145 13.576 4.550 1.00 1.00 C ATOM 738 C LYS A 52 -14.043 14.972 5.168 1.00 1.00 C ATOM 739 O LYS A 52 -13.736 15.941 4.476 1.00 1.00 O ATOM 740 CB LYS A 52 -15.569 13.018 4.523 1.00 1.00 C ATOM 741 CG LYS A 52 -16.527 13.993 3.832 1.00 1.00 C ATOM 742 CD LYS A 52 -17.655 13.241 3.122 1.00 1.00 C ATOM 743 CE LYS A 52 -19.023 13.686 3.643 1.00 1.00 C ATOM 744 NZ LYS A 52 -19.496 12.769 4.703 1.00 1.00 N ATOM 0 H LYS A 52 -13.686 12.180 6.044 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.842 13.667 3.507 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.579 12.061 4.001 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.909 12.829 5.541 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -16.948 14.678 4.568 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -15.978 14.598 3.111 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -17.596 13.418 2.048 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -17.535 12.169 3.275 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -18.957 14.701 4.035 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -19.742 13.706 2.824 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.426 13.085 5.046 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -19.578 11.806 4.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -18.818 12.770 5.491 1.00 1.00 H new ATOM 757 N GLY A 53 -14.307 15.031 6.466 1.00 1.00 N ATOM 758 CA GLY A 53 -14.248 16.292 7.185 1.00 1.00 C ATOM 759 C GLY A 53 -13.163 17.202 6.608 1.00 1.00 C ATOM 760 O GLY A 53 -13.412 18.375 6.334 1.00 1.00 O ATOM 0 H GLY A 53 -14.562 14.226 7.038 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -15.215 16.792 7.129 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -14.047 16.104 8.240 1.00 1.00 H new ATOM 764 N CYS A 54 -11.981 16.627 6.440 1.00 1.00 N ATOM 765 CA CYS A 54 -10.856 17.373 5.900 1.00 1.00 C ATOM 766 C CYS A 54 -11.317 18.079 4.623 1.00 1.00 C ATOM 767 O CYS A 54 -11.377 19.306 4.568 1.00 1.00 O ATOM 768 CB CYS A 54 -9.648 16.469 5.648 1.00 1.00 C ATOM 769 SG CYS A 54 -8.149 17.207 6.395 1.00 1.00 S ATOM 0 H CYS A 54 -11.778 15.654 6.668 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.526 18.116 6.626 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.827 15.481 6.072 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.502 16.334 4.576 1.00 1.00 H new ATOM 0 HG CYS A 54 -7.129 16.431 6.178 1.00 1.00 H new ATOM 774 N HIS A 55 -11.635 17.268 3.614 1.00 1.00 N ATOM 775 CA HIS A 55 -12.094 17.758 2.319 1.00 1.00 C ATOM 776 C HIS A 55 -13.149 18.860 2.525 1.00 1.00 C ATOM 777 O HIS A 55 -13.105 19.891 1.854 1.00 1.00 O ATOM 778 CB HIS A 55 -12.579 16.566 1.481 1.00 1.00 C ATOM 779 CG HIS A 55 -11.657 15.372 1.399 1.00 1.00 C ATOM 780 ND1 HIS A 55 -12.084 14.119 1.584 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.309 15.283 1.146 1.00 1.00 C ATOM 782 CE1 HIS A 55 -11.043 13.282 1.452 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.923 13.948 1.181 1.00 1.00 N ATOM 0 H HIS A 55 -11.581 16.251 3.674 1.00 1.00 H new ATOM 0 HA HIS A 55 -11.285 18.225 1.758 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.534 16.231 1.887 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.770 16.918 0.467 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.653 16.118 0.951 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -11.106 12.209 1.553 1.00 1.00 H new ATOM 0 HE2 HIS A 55 -8.990 13.564 1.032 1.00 1.00 H new ATOM 791 N GLU A 56 -14.064 18.603 3.448 1.00 1.00 N ATOM 792 CA GLU A 56 -15.118 19.560 3.743 1.00 1.00 C ATOM 793 C GLU A 56 -14.516 20.881 4.225 1.00 1.00 C ATOM 794 O GLU A 56 -15.100 21.945 4.021 1.00 1.00 O ATOM 795 CB GLU A 56 -16.098 18.995 4.773 1.00 1.00 C ATOM 796 CG GLU A 56 -17.003 20.096 5.329 1.00 1.00 C ATOM 797 CD GLU A 56 -17.865 20.709 4.222 1.00 1.00 C ATOM 798 OE1 GLU A 56 -18.499 19.973 3.451 1.00 1.00 O ATOM 799 OE2 GLU A 56 -17.862 21.998 4.180 1.00 1.00 O ATOM 0 H GLU A 56 -14.098 17.747 4.001 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.676 19.751 2.826 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.707 18.217 4.313 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.545 18.527 5.588 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -17.644 19.685 6.109 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -16.394 20.872 5.793 1.00 1.00 H new ATOM 807 N GLU A 57 -13.356 20.772 4.856 1.00 1.00 N ATOM 808 CA GLU A 57 -12.669 21.944 5.369 1.00 1.00 C ATOM 809 C GLU A 57 -11.650 22.452 4.346 1.00 1.00 C ATOM 810 O GLU A 57 -11.669 23.624 3.975 1.00 1.00 O ATOM 811 CB GLU A 57 -11.996 21.643 6.709 1.00 1.00 C ATOM 812 CG GLU A 57 -12.200 22.795 7.695 1.00 1.00 C ATOM 813 CD GLU A 57 -10.973 23.708 7.734 1.00 1.00 C ATOM 814 OE1 GLU A 57 -10.295 23.878 6.710 1.00 1.00 O ATOM 815 OE2 GLU A 57 -10.732 24.250 8.880 1.00 1.00 O ATOM 0 H GLU A 57 -12.874 19.889 5.024 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.407 22.728 5.539 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.406 20.724 7.128 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.930 21.475 6.555 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -13.078 23.373 7.408 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -12.393 22.396 8.691 1.00 1.00 H new ATOM 823 N MET A 58 -10.785 21.544 3.919 1.00 1.00 N ATOM 824 CA MET A 58 -9.761 21.885 2.947 1.00 1.00 C ATOM 825 C MET A 58 -10.387 22.367 1.637 1.00 1.00 C ATOM 826 O MET A 58 -9.713 22.979 0.810 1.00 1.00 O ATOM 827 CB MET A 58 -8.886 20.659 2.674 1.00 1.00 C ATOM 828 CG MET A 58 -7.401 21.024 2.718 1.00 1.00 C ATOM 829 SD MET A 58 -7.110 22.508 1.769 1.00 1.00 S ATOM 830 CE MET A 58 -5.496 22.958 2.385 1.00 1.00 C ATOM 0 H MET A 58 -10.772 20.572 4.229 1.00 1.00 H new ATOM 0 HA MET A 58 -9.153 22.692 3.356 1.00 1.00 H new ATOM 0 HB2 MET A 58 -9.096 19.886 3.413 1.00 1.00 H new ATOM 0 HB3 MET A 58 -9.133 20.242 1.698 1.00 1.00 H new ATOM 0 HG2 MET A 58 -7.085 21.175 3.750 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.804 20.204 2.319 1.00 1.00 H new ATOM 0 HE1 MET A 58 -5.161 23.871 1.894 1.00 1.00 H new ATOM 0 HE2 MET A 58 -5.550 23.124 3.461 1.00 1.00 H new ATOM 0 HE3 MET A 58 -4.790 22.154 2.177 1.00 1.00 H new ATOM 840 N LYS A 59 -11.670 22.072 1.488 1.00 1.00 N ATOM 841 CA LYS A 59 -12.395 22.467 0.291 1.00 1.00 C ATOM 842 C LYS A 59 -11.742 21.822 -0.932 1.00 1.00 C ATOM 843 O LYS A 59 -11.830 22.352 -2.039 1.00 1.00 O ATOM 844 CB LYS A 59 -12.494 23.991 0.205 1.00 1.00 C ATOM 845 CG LYS A 59 -13.606 24.415 -0.757 1.00 1.00 C ATOM 846 CD LYS A 59 -13.039 25.211 -1.934 1.00 1.00 C ATOM 847 CE LYS A 59 -14.011 26.308 -2.372 1.00 1.00 C ATOM 848 NZ LYS A 59 -13.306 27.339 -3.166 1.00 1.00 N ATOM 0 H LYS A 59 -12.226 21.564 2.176 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.423 22.106 0.330 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -12.688 24.403 1.195 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -11.542 24.403 -0.130 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -14.127 23.532 -1.128 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -14.341 25.019 -0.225 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -12.086 25.657 -1.651 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -12.841 24.540 -2.770 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -14.817 25.873 -2.963 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -14.470 26.766 -1.496 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -13.981 28.076 -3.455 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -12.553 27.766 -2.590 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -12.889 26.901 -4.012 1.00 1.00 H new ATOM 861 N LYS A 60 -11.100 20.688 -0.692 1.00 1.00 N ATOM 862 CA LYS A 60 -10.432 19.966 -1.761 1.00 1.00 C ATOM 863 C LYS A 60 -10.534 18.462 -1.496 1.00 1.00 C ATOM 864 O LYS A 60 -10.206 17.997 -0.406 1.00 1.00 O ATOM 865 CB LYS A 60 -8.995 20.464 -1.928 1.00 1.00 C ATOM 866 CG LYS A 60 -8.254 20.462 -0.590 1.00 1.00 C ATOM 867 CD LYS A 60 -6.762 20.737 -0.788 1.00 1.00 C ATOM 868 CE LYS A 60 -6.537 22.119 -1.404 1.00 1.00 C ATOM 869 NZ LYS A 60 -6.288 22.005 -2.858 1.00 1.00 N ATOM 0 H LYS A 60 -11.028 20.252 0.227 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.924 20.157 -2.715 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.467 19.830 -2.641 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -9.002 21.472 -2.342 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.682 21.218 0.068 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.388 19.499 -0.098 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.246 20.674 0.170 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.330 19.972 -1.434 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.409 22.749 -1.227 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.689 22.605 -0.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -6.706 22.822 -3.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -5.263 21.983 -3.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -6.720 21.129 -3.217 1.00 1.00 H new ATOM 882 N GLY A 61 -10.990 17.744 -2.511 1.00 1.00 N ATOM 883 CA GLY A 61 -11.139 16.303 -2.403 1.00 1.00 C ATOM 884 C GLY A 61 -12.593 15.883 -2.632 1.00 1.00 C ATOM 885 O GLY A 61 -13.508 16.702 -2.686 1.00 1.00 O ATOM 0 H GLY A 61 -11.262 18.134 -3.414 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.496 15.812 -3.133 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.812 15.973 -1.417 1.00 1.00 H new ATOM 889 N PRO A 62 -12.785 14.569 -2.770 1.00 1.00 N ATOM 890 CA PRO A 62 -14.076 13.953 -2.992 1.00 1.00 C ATOM 891 C PRO A 62 -14.871 13.949 -1.694 1.00 1.00 C ATOM 892 O PRO A 62 -14.273 13.776 -0.633 1.00 1.00 O ATOM 893 CB PRO A 62 -13.757 12.530 -3.443 1.00 1.00 C ATOM 894 CG PRO A 62 -12.178 12.474 -3.667 1.00 1.00 C ATOM 895 CD PRO A 62 -11.732 13.579 -2.712 1.00 1.00 C ATOM 0 HA PRO A 62 -14.677 14.483 -3.731 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.069 11.805 -2.691 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -14.289 12.285 -4.362 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -11.755 11.504 -3.407 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.897 12.678 -4.700 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.604 13.198 -1.699 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.775 14.002 -3.017 1.00 1.00 H new ATOM 903 N THR A 63 -16.178 14.137 -1.798 1.00 1.00 N ATOM 904 CA THR A 63 -17.028 14.153 -0.620 1.00 1.00 C ATOM 905 C THR A 63 -18.197 13.182 -0.793 1.00 1.00 C ATOM 906 O THR A 63 -19.027 13.037 0.104 1.00 1.00 O ATOM 907 CB THR A 63 -17.469 15.597 -0.374 1.00 1.00 C ATOM 908 OG1 THR A 63 -17.972 16.026 -1.636 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.288 16.533 -0.106 1.00 1.00 C ATOM 0 H THR A 63 -16.669 14.280 -2.680 1.00 1.00 H new ATOM 0 HA THR A 63 -16.488 13.809 0.262 1.00 1.00 H new ATOM 0 HB THR A 63 -18.155 15.627 0.472 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.282 16.953 -1.567 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.657 17.545 0.062 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.747 16.193 0.777 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.618 16.529 -0.966 1.00 1.00 H new ATOM 915 N LYS A 64 -18.225 12.541 -1.952 1.00 1.00 N ATOM 916 CA LYS A 64 -19.280 11.587 -2.254 1.00 1.00 C ATOM 917 C LYS A 64 -18.850 10.194 -1.790 1.00 1.00 C ATOM 918 O LYS A 64 -17.664 9.947 -1.570 1.00 1.00 O ATOM 919 CB LYS A 64 -19.654 11.653 -3.736 1.00 1.00 C ATOM 920 CG LYS A 64 -20.458 12.918 -4.043 1.00 1.00 C ATOM 921 CD LYS A 64 -19.971 13.578 -5.335 1.00 1.00 C ATOM 922 CE LYS A 64 -21.037 14.514 -5.906 1.00 1.00 C ATOM 923 NZ LYS A 64 -22.173 13.736 -6.450 1.00 1.00 N ATOM 0 H LYS A 64 -17.535 12.663 -2.693 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.189 11.839 -1.708 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.750 11.636 -4.344 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -20.237 10.773 -4.007 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -21.515 12.668 -4.134 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.367 13.621 -3.215 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -19.057 14.138 -5.139 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -19.724 12.811 -6.069 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -21.391 15.189 -5.127 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -20.603 15.133 -6.691 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -22.690 14.314 -7.143 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -21.815 12.877 -6.914 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -22.814 13.469 -5.675 1.00 1.00 H new ATOM 936 N CYS A 65 -19.835 9.319 -1.655 1.00 1.00 N ATOM 937 CA CYS A 65 -19.573 7.957 -1.221 1.00 1.00 C ATOM 938 C CYS A 65 -18.836 7.228 -2.347 1.00 1.00 C ATOM 939 O CYS A 65 -17.707 6.778 -2.163 1.00 1.00 O ATOM 940 CB CYS A 65 -20.860 7.234 -0.819 1.00 1.00 C ATOM 941 SG CYS A 65 -22.198 8.327 -0.215 1.00 1.00 S ATOM 0 H CYS A 65 -20.817 9.527 -1.839 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.948 7.971 -0.328 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.228 6.673 -1.678 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.624 6.508 -0.041 1.00 1.00 H new ATOM 0 HG CYS A 65 -22.621 9.075 -1.190 1.00 1.00 H new ATOM 946 N GLY A 66 -19.507 7.134 -3.486 1.00 1.00 N ATOM 947 CA GLY A 66 -18.930 6.466 -4.640 1.00 1.00 C ATOM 948 C GLY A 66 -17.485 6.917 -4.869 1.00 1.00 C ATOM 949 O GLY A 66 -16.707 6.215 -5.512 1.00 1.00 O ATOM 0 H GLY A 66 -20.444 7.509 -3.634 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -18.959 5.386 -4.492 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.527 6.682 -5.526 1.00 1.00 H new ATOM 953 N GLU A 67 -17.172 8.085 -4.329 1.00 1.00 N ATOM 954 CA GLU A 67 -15.835 8.637 -4.466 1.00 1.00 C ATOM 955 C GLU A 67 -14.855 7.888 -3.561 1.00 1.00 C ATOM 956 O GLU A 67 -13.694 7.697 -3.919 1.00 1.00 O ATOM 957 CB GLU A 67 -15.827 10.137 -4.160 1.00 1.00 C ATOM 958 CG GLU A 67 -16.606 10.917 -5.220 1.00 1.00 C ATOM 959 CD GLU A 67 -15.792 11.054 -6.508 1.00 1.00 C ATOM 960 OE1 GLU A 67 -15.093 10.109 -6.904 1.00 1.00 O ATOM 961 OE2 GLU A 67 -15.903 12.193 -7.105 1.00 1.00 O ATOM 0 H GLU A 67 -17.821 8.664 -3.796 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.515 8.508 -5.500 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.266 10.314 -3.178 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.799 10.498 -4.120 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.547 10.409 -5.432 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.857 11.906 -4.837 1.00 1.00 H new ATOM 969 N CYS A 68 -15.359 7.483 -2.404 1.00 1.00 N ATOM 970 CA CYS A 68 -14.543 6.758 -1.445 1.00 1.00 C ATOM 971 C CYS A 68 -14.872 5.269 -1.563 1.00 1.00 C ATOM 972 O CYS A 68 -13.977 4.429 -1.621 1.00 1.00 O ATOM 973 CB CYS A 68 -14.749 7.277 -0.020 1.00 1.00 C ATOM 974 SG CYS A 68 -13.536 8.597 0.347 1.00 1.00 S ATOM 0 H CYS A 68 -16.322 7.643 -2.109 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.488 6.915 -1.669 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.763 7.662 0.093 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.637 6.460 0.693 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.721 9.032 1.558 1.00 1.00 H new ATOM 979 N HIS A 69 -16.173 4.980 -1.595 1.00 1.00 N ATOM 980 CA HIS A 69 -16.678 3.616 -1.706 1.00 1.00 C ATOM 981 C HIS A 69 -16.963 3.283 -3.181 1.00 1.00 C ATOM 982 O HIS A 69 -17.188 4.186 -3.987 1.00 1.00 O ATOM 983 CB HIS A 69 -17.893 3.460 -0.777 1.00 1.00 C ATOM 984 CG HIS A 69 -17.665 3.734 0.691 1.00 1.00 C ATOM 985 ND1 HIS A 69 -16.884 2.962 1.454 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.145 4.724 1.514 1.00 1.00 C ATOM 987 CE1 HIS A 69 -16.879 3.453 2.704 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.641 4.542 2.796 1.00 1.00 N ATOM 0 H HIS A 69 -16.906 5.688 -1.544 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.936 2.888 -1.378 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.679 4.128 -1.130 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.270 2.442 -0.878 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.376 2.136 1.138 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.810 5.519 1.212 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.329 3.021 3.527 1.00 1.00 H new ATOM 996 N LYS A 70 -16.943 1.993 -3.486 1.00 1.00 N ATOM 997 CA LYS A 70 -17.197 1.541 -4.844 1.00 1.00 C ATOM 998 C LYS A 70 -17.196 0.013 -4.875 1.00 1.00 C ATOM 999 O LYS A 70 -16.526 -0.629 -4.066 1.00 1.00 O ATOM 1000 CB LYS A 70 -16.199 2.177 -5.815 1.00 1.00 C ATOM 1001 CG LYS A 70 -16.207 1.451 -7.161 1.00 1.00 C ATOM 1002 CD LYS A 70 -15.064 1.939 -8.054 1.00 1.00 C ATOM 1003 CE LYS A 70 -15.102 1.248 -9.419 1.00 1.00 C ATOM 1004 NZ LYS A 70 -14.543 -0.118 -9.324 1.00 1.00 N ATOM 0 H LYS A 70 -16.755 1.247 -2.816 1.00 1.00 H new ATOM 0 HA LYS A 70 -18.182 1.867 -5.177 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -16.449 3.228 -5.963 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -15.197 2.145 -5.386 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -16.114 0.377 -7.000 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -17.161 1.617 -7.662 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -15.137 3.018 -8.187 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.108 1.741 -7.569 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -16.129 1.203 -9.782 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -14.533 1.830 -10.144 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -14.277 -0.451 -10.273 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -13.702 -0.107 -8.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -15.257 -0.758 -8.920 1.00 1.00 H new ATOM 1017 N LYS A 71 -17.954 -0.529 -5.817 1.00 1.00 N ATOM 1018 CA LYS A 71 -18.050 -1.971 -5.965 1.00 1.00 C ATOM 1019 C LYS A 71 -17.448 -2.383 -7.310 1.00 1.00 C ATOM 1020 O LYS A 71 -17.104 -1.530 -8.127 1.00 1.00 O ATOM 1021 CB LYS A 71 -19.495 -2.435 -5.770 1.00 1.00 C ATOM 1022 CG LYS A 71 -19.558 -3.665 -4.862 1.00 1.00 C ATOM 1023 CD LYS A 71 -20.936 -4.327 -4.930 1.00 1.00 C ATOM 1024 CE LYS A 71 -20.962 -5.429 -5.990 1.00 1.00 C ATOM 1025 NZ LYS A 71 -21.631 -4.950 -7.220 1.00 1.00 N ATOM 0 H LYS A 71 -18.508 0.006 -6.486 1.00 1.00 H new ATOM 0 HA LYS A 71 -17.471 -2.473 -5.189 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -20.085 -1.628 -5.336 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -19.939 -2.670 -6.737 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -18.792 -4.381 -5.160 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -19.341 -3.374 -3.834 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -21.190 -4.747 -3.957 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -21.693 -3.577 -5.161 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -19.944 -5.743 -6.221 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -21.485 -6.303 -5.602 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -21.822 -5.757 -7.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -22.527 -4.486 -6.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -21.014 -4.270 -7.708 1.00 1.00 H new