USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= 0.189 K(o=-1.6,f=-14!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 177:sc= -1.79 (180deg=-1.92) USER MOD Set 2.1: A 49 THR OG1 : rot 103:sc= 1.21 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -113:sc= -0.0092 (180deg=-0.634) USER MOD Set 3.1: A 16 GLN : amide:sc= 0.867 K(o=1.9,f=-13!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ -170:sc= 1 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.196 (180deg=0.00051) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 130:sc= 1.07 (180deg=-0.508!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 99:sc= 0.443 USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 1.09 (180deg=0.942) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=-0.026) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.198 K(o=-0.2,f=-3.1!) USER MOD Single : A 33 HIS : no HE2:sc= 0.356 K(o=0.36,f=-3.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -84:sc= 0.0871 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.16) USER MOD Single : A 63 THR OG1 : rot -164:sc= 0.783 USER MOD Single : A 65 MET CE :methyl 167:sc= 0 (180deg=-0.0423) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0989 USER MOD Single : A 70 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.79) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 40:sc= 1.16 USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.246 USER MOD Single : A 80 MET CE :methyl -132:sc= 0 (180deg=-0.062) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0976) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -87:sc= 1.18 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 110 HEC O2A : rot -140:sc= -0.0279 USER MOD Single : A 110 HEC O2D : rot -30:sc= -0.378 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.295 -4.453 -15.524 1.00 10.00 N ATOM 2 CA GLY A 1 -3.909 -4.261 -15.158 1.00 10.00 C ATOM 3 C GLY A 1 -3.277 -5.641 -15.310 1.00 10.00 C ATOM 4 O GLY A 1 -3.968 -6.640 -15.122 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.908 -4.029 -14.798 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.478 -3.998 -16.441 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.497 -5.471 -15.596 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.425 -3.530 -15.806 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.816 -3.893 -14.136 1.00 10.00 H new ATOM 10 N ASP A 2 -2.045 -5.690 -15.771 1.00 10.00 N ATOM 11 CA ASP A 2 -1.268 -6.908 -15.960 1.00 10.00 C ATOM 12 C ASP A 2 -0.821 -7.488 -14.611 1.00 10.00 C ATOM 13 O ASP A 2 -0.109 -6.830 -13.855 1.00 10.00 O ATOM 14 CB ASP A 2 -0.041 -6.599 -16.814 1.00 10.00 C ATOM 15 CG ASP A 2 0.621 -7.880 -17.288 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.995 -8.676 -16.401 1.00 10.00 O ATOM 17 OD2 ASP A 2 0.744 -8.050 -18.517 1.00 10.00 O ATOM 0 H ASP A 2 -1.532 -4.850 -16.037 1.00 10.00 H new ATOM 0 HA ASP A 2 -1.895 -7.645 -16.461 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.333 -5.995 -17.673 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.670 -6.009 -16.237 1.00 10.00 H new ATOM 22 N VAL A 3 -1.213 -8.726 -14.306 1.00 10.00 N ATOM 23 CA VAL A 3 -0.811 -9.408 -13.080 1.00 10.00 C ATOM 24 C VAL A 3 0.690 -9.740 -13.089 1.00 10.00 C ATOM 25 O VAL A 3 1.352 -9.620 -12.058 1.00 10.00 O ATOM 26 CB VAL A 3 -1.682 -10.665 -12.880 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.261 -11.467 -11.637 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.166 -10.286 -12.760 1.00 10.00 C ATOM 0 H VAL A 3 -1.820 -9.284 -14.906 1.00 10.00 H new ATOM 0 HA VAL A 3 -0.972 -8.741 -12.233 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.534 -11.293 -13.759 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.901 -12.343 -11.535 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.224 -11.786 -11.744 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.359 -10.841 -10.750 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.762 -11.188 -12.620 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.304 -9.623 -11.906 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.486 -9.778 -13.669 1.00 10.00 H new ATOM 38 N GLU A 4 1.242 -10.163 -14.229 1.00 10.00 N ATOM 39 CA GLU A 4 2.651 -10.517 -14.328 1.00 10.00 C ATOM 40 C GLU A 4 3.485 -9.260 -14.124 1.00 10.00 C ATOM 41 O GLU A 4 4.340 -9.207 -13.237 1.00 10.00 O ATOM 42 CB GLU A 4 2.957 -11.152 -15.693 1.00 10.00 C ATOM 43 CG GLU A 4 2.890 -12.685 -15.631 1.00 10.00 C ATOM 44 CD GLU A 4 4.113 -13.283 -14.944 1.00 10.00 C ATOM 45 OE1 GLU A 4 5.230 -13.109 -15.474 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.930 -13.884 -13.862 1.00 10.00 O ATOM 0 H GLU A 4 0.724 -10.268 -15.102 1.00 10.00 H new ATOM 0 HA GLU A 4 2.898 -11.250 -13.560 1.00 10.00 H new ATOM 0 HB2 GLU A 4 2.245 -10.786 -16.433 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.949 -10.844 -16.024 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.990 -12.987 -15.096 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.810 -13.086 -16.642 1.00 10.00 H new ATOM 53 N LYS A 5 3.232 -8.231 -14.933 1.00 10.00 N ATOM 54 CA LYS A 5 3.949 -6.987 -14.757 1.00 10.00 C ATOM 55 C LYS A 5 3.704 -6.447 -13.356 1.00 10.00 C ATOM 56 O LYS A 5 4.668 -6.098 -12.692 1.00 10.00 O ATOM 57 CB LYS A 5 3.701 -5.970 -15.862 1.00 10.00 C ATOM 58 CG LYS A 5 4.443 -6.350 -17.150 1.00 10.00 C ATOM 59 CD LYS A 5 5.310 -5.187 -17.657 1.00 10.00 C ATOM 60 CE LYS A 5 6.572 -5.015 -16.793 1.00 10.00 C ATOM 61 NZ LYS A 5 7.386 -3.859 -17.224 1.00 10.00 N ATOM 0 H LYS A 5 2.553 -8.240 -15.694 1.00 10.00 H new ATOM 0 HA LYS A 5 5.014 -7.199 -14.852 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.632 -5.902 -16.063 1.00 10.00 H new ATOM 0 HB3 LYS A 5 4.026 -4.984 -15.531 1.00 10.00 H new ATOM 0 HG2 LYS A 5 5.071 -7.222 -16.967 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.723 -6.631 -17.918 1.00 10.00 H new ATOM 0 HD2 LYS A 5 5.597 -5.369 -18.693 1.00 10.00 H new ATOM 0 HD3 LYS A 5 4.729 -4.265 -17.645 1.00 10.00 H new ATOM 0 HE2 LYS A 5 6.282 -4.885 -15.750 1.00 10.00 H new ATOM 0 HE3 LYS A 5 7.174 -5.922 -16.846 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 8.226 -3.780 -16.616 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 7.685 -3.994 -18.211 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 6.821 -2.989 -17.149 1.00 10.00 H new ATOM 75 N GLY A 6 2.463 -6.449 -12.867 1.00 10.00 N ATOM 76 CA GLY A 6 2.143 -6.069 -11.499 1.00 10.00 C ATOM 77 C GLY A 6 3.036 -6.758 -10.460 1.00 10.00 C ATOM 78 O GLY A 6 3.560 -6.109 -9.551 1.00 10.00 O ATOM 0 H GLY A 6 1.648 -6.718 -13.418 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.242 -4.988 -11.396 1.00 10.00 H new ATOM 0 HA3 GLY A 6 1.101 -6.315 -11.294 1.00 10.00 H new ATOM 82 N LYS A 7 3.214 -8.077 -10.598 1.00 10.00 N ATOM 83 CA LYS A 7 4.013 -8.898 -9.711 1.00 10.00 C ATOM 84 C LYS A 7 5.425 -8.349 -9.713 1.00 10.00 C ATOM 85 O LYS A 7 6.013 -8.105 -8.662 1.00 10.00 O ATOM 86 CB LYS A 7 3.907 -10.359 -10.161 1.00 10.00 C ATOM 87 CG LYS A 7 4.620 -11.342 -9.227 1.00 10.00 C ATOM 88 CD LYS A 7 4.273 -12.799 -9.581 1.00 10.00 C ATOM 89 CE LYS A 7 4.844 -13.195 -10.950 1.00 10.00 C ATOM 90 NZ LYS A 7 4.341 -14.494 -11.438 1.00 10.00 N ATOM 0 H LYS A 7 2.788 -8.609 -11.357 1.00 10.00 H new ATOM 0 HA LYS A 7 3.659 -8.870 -8.680 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.854 -10.634 -10.229 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.326 -10.453 -11.163 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.698 -11.195 -9.295 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.335 -11.138 -8.195 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.668 -13.465 -8.814 1.00 10.00 H new ATOM 0 HD3 LYS A 7 3.190 -12.926 -9.586 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.597 -12.421 -11.677 1.00 10.00 H new ATOM 0 HE3 LYS A 7 5.931 -13.235 -10.885 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 3.998 -14.389 -12.414 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 5.109 -15.195 -11.414 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 3.561 -14.815 -10.830 1.00 10.00 H new ATOM 104 N LYS A 8 5.961 -8.121 -10.909 1.00 10.00 N ATOM 105 CA LYS A 8 7.304 -7.603 -11.022 1.00 10.00 C ATOM 106 C LYS A 8 7.389 -6.162 -10.497 1.00 10.00 C ATOM 107 O LYS A 8 8.343 -5.827 -9.805 1.00 10.00 O ATOM 108 CB LYS A 8 7.836 -7.791 -12.448 1.00 10.00 C ATOM 109 CG LYS A 8 8.454 -9.186 -12.663 1.00 10.00 C ATOM 110 CD LYS A 8 7.464 -10.336 -12.408 1.00 10.00 C ATOM 111 CE LYS A 8 7.984 -11.710 -12.856 1.00 10.00 C ATOM 112 NZ LYS A 8 9.150 -12.164 -12.068 1.00 10.00 N ATOM 0 H LYS A 8 5.487 -8.287 -11.797 1.00 10.00 H new ATOM 0 HA LYS A 8 7.970 -8.179 -10.379 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.023 -7.643 -13.159 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.586 -7.028 -12.657 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.827 -9.257 -13.685 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.312 -9.301 -12.001 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.232 -10.375 -11.344 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.531 -10.123 -12.930 1.00 10.00 H new ATOM 0 HE2 LYS A 8 7.183 -12.444 -12.767 1.00 10.00 H new ATOM 0 HE3 LYS A 8 8.259 -11.664 -13.910 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 9.460 -13.095 -12.412 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 9.927 -11.480 -12.172 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 8.884 -12.236 -11.065 1.00 10.00 H new ATOM 126 N ILE A 9 6.400 -5.311 -10.773 1.00 10.00 N ATOM 127 CA ILE A 9 6.370 -3.932 -10.325 1.00 10.00 C ATOM 128 C ILE A 9 6.463 -3.907 -8.806 1.00 10.00 C ATOM 129 O ILE A 9 7.370 -3.281 -8.269 1.00 10.00 O ATOM 130 CB ILE A 9 5.114 -3.217 -10.865 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.250 -2.964 -12.378 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.885 -1.878 -10.154 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.921 -2.564 -13.028 1.00 10.00 C ATOM 0 H ILE A 9 5.584 -5.574 -11.326 1.00 10.00 H new ATOM 0 HA ILE A 9 7.224 -3.383 -10.721 1.00 10.00 H new ATOM 0 HB ILE A 9 4.261 -3.868 -10.674 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.985 -2.177 -12.547 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.631 -3.864 -12.861 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.993 -1.400 -10.558 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.752 -2.051 -9.086 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.747 -1.230 -10.312 1.00 10.00 H new ATOM 0 HD11 ILE A 9 4.073 -2.397 -14.094 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.192 -3.362 -12.886 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.552 -1.648 -12.567 1.00 10.00 H new ATOM 145 N PHE A 10 5.562 -4.601 -8.108 1.00 10.00 N ATOM 146 CA PHE A 10 5.608 -4.660 -6.652 1.00 10.00 C ATOM 147 C PHE A 10 7.018 -5.016 -6.157 1.00 10.00 C ATOM 148 O PHE A 10 7.537 -4.407 -5.219 1.00 10.00 O ATOM 149 CB PHE A 10 4.572 -5.665 -6.145 1.00 10.00 C ATOM 150 CG PHE A 10 4.587 -5.804 -4.639 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.944 -4.837 -3.843 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.389 -6.790 -4.032 1.00 10.00 C ATOM 153 CE1 PHE A 10 4.043 -4.899 -2.445 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.485 -6.852 -2.632 1.00 10.00 C ATOM 155 CZ PHE A 10 4.761 -5.945 -1.843 1.00 10.00 C ATOM 0 H PHE A 10 4.796 -5.127 -8.528 1.00 10.00 H new ATOM 0 HA PHE A 10 5.365 -3.676 -6.252 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.579 -5.352 -6.468 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.762 -6.638 -6.598 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.374 -4.047 -4.309 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.930 -7.498 -4.643 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.569 -4.145 -1.834 1.00 10.00 H new ATOM 0 HE2 PHE A 10 6.114 -7.595 -2.164 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.756 -6.052 -0.768 1.00 10.00 H new ATOM 165 N VAL A 11 7.652 -5.988 -6.816 1.00 10.00 N ATOM 166 CA VAL A 11 8.990 -6.443 -6.464 1.00 10.00 C ATOM 167 C VAL A 11 10.064 -5.397 -6.794 1.00 10.00 C ATOM 168 O VAL A 11 11.083 -5.313 -6.116 1.00 10.00 O ATOM 169 CB VAL A 11 9.260 -7.806 -7.121 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.679 -8.319 -6.849 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.277 -8.839 -6.565 1.00 10.00 C ATOM 0 H VAL A 11 7.246 -6.481 -7.612 1.00 10.00 H new ATOM 0 HA VAL A 11 9.043 -6.574 -5.383 1.00 10.00 H new ATOM 0 HB VAL A 11 9.141 -7.670 -8.196 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.816 -9.285 -7.336 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.405 -7.608 -7.243 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.826 -8.430 -5.775 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.466 -9.807 -7.029 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.408 -8.922 -5.486 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.256 -8.525 -6.784 1.00 10.00 H new ATOM 181 N GLN A 12 9.863 -4.605 -7.843 1.00 10.00 N ATOM 182 CA GLN A 12 10.816 -3.589 -8.271 1.00 10.00 C ATOM 183 C GLN A 12 10.560 -2.237 -7.597 1.00 10.00 C ATOM 184 O GLN A 12 11.392 -1.338 -7.700 1.00 10.00 O ATOM 185 CB GLN A 12 10.769 -3.484 -9.797 1.00 10.00 C ATOM 186 CG GLN A 12 11.254 -4.813 -10.403 1.00 10.00 C ATOM 187 CD GLN A 12 11.077 -4.881 -11.915 1.00 10.00 C ATOM 188 OE1 GLN A 12 10.880 -3.875 -12.589 1.00 10.00 O ATOM 189 NE2 GLN A 12 11.136 -6.091 -12.465 1.00 10.00 N ATOM 0 H GLN A 12 9.026 -4.652 -8.424 1.00 10.00 H new ATOM 0 HA GLN A 12 11.817 -3.887 -7.961 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.754 -3.267 -10.129 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.399 -2.662 -10.138 1.00 10.00 H new ATOM 0 HG2 GLN A 12 12.307 -4.953 -10.160 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.708 -5.636 -9.942 1.00 10.00 H new ATOM 0 HE21 GLN A 12 11.301 -6.910 -11.880 1.00 10.00 H new ATOM 0 HE22 GLN A 12 11.016 -6.200 -13.472 1.00 10.00 H new ATOM 198 N LYS A 13 9.408 -2.073 -6.941 1.00 10.00 N ATOM 199 CA LYS A 13 8.995 -0.823 -6.324 1.00 10.00 C ATOM 200 C LYS A 13 8.970 -0.891 -4.796 1.00 10.00 C ATOM 201 O LYS A 13 9.385 0.072 -4.152 1.00 10.00 O ATOM 202 CB LYS A 13 7.615 -0.428 -6.855 1.00 10.00 C ATOM 203 CG LYS A 13 7.602 -0.092 -8.355 1.00 10.00 C ATOM 204 CD LYS A 13 8.597 0.997 -8.788 1.00 10.00 C ATOM 205 CE LYS A 13 8.478 2.296 -7.966 1.00 10.00 C ATOM 206 NZ LYS A 13 9.617 3.210 -8.172 1.00 10.00 N ATOM 0 H LYS A 13 8.728 -2.824 -6.825 1.00 10.00 H new ATOM 0 HA LYS A 13 9.735 -0.068 -6.590 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.917 -1.244 -6.669 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.254 0.435 -6.295 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.815 -1.001 -8.917 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.597 0.225 -8.632 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.612 0.609 -8.696 1.00 10.00 H new ATOM 0 HD3 LYS A 13 8.438 1.226 -9.842 1.00 10.00 H new ATOM 0 HE2 LYS A 13 7.554 2.808 -8.236 1.00 10.00 H new ATOM 0 HE3 LYS A 13 8.406 2.045 -6.908 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 9.484 4.066 -7.596 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.498 2.736 -7.889 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 9.673 3.474 -9.176 1.00 10.00 H new ATOM 220 N CYS A 14 8.430 -1.971 -4.222 1.00 10.00 N ATOM 221 CA CYS A 14 8.108 -2.050 -2.800 1.00 10.00 C ATOM 222 C CYS A 14 8.948 -3.151 -2.128 1.00 10.00 C ATOM 223 O CYS A 14 9.794 -2.841 -1.293 1.00 10.00 O ATOM 224 CB CYS A 14 6.610 -2.220 -2.587 1.00 10.00 C ATOM 225 SG CYS A 14 5.544 -1.703 -3.992 1.00 10.00 S ATOM 0 H CYS A 14 8.203 -2.821 -4.739 1.00 10.00 H new ATOM 0 HA CYS A 14 8.373 -1.110 -2.316 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.409 -3.269 -2.369 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.320 -1.649 -1.705 1.00 10.00 H new ATOM 230 N ALA A 15 8.724 -4.420 -2.501 1.00 10.00 N ATOM 231 CA ALA A 15 9.367 -5.656 -2.020 1.00 10.00 C ATOM 232 C ALA A 15 10.106 -5.623 -0.678 1.00 10.00 C ATOM 233 O ALA A 15 9.668 -6.225 0.300 1.00 10.00 O ATOM 234 CB ALA A 15 10.295 -6.221 -3.099 1.00 10.00 C ATOM 0 H ALA A 15 8.024 -4.628 -3.213 1.00 10.00 H new ATOM 0 HA ALA A 15 8.512 -6.300 -1.816 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.765 -7.134 -2.733 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.717 -6.445 -3.996 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.065 -5.487 -3.337 1.00 10.00 H new ATOM 240 N GLN A 16 11.284 -5.002 -0.608 1.00 10.00 N ATOM 241 CA GLN A 16 12.086 -4.963 0.602 1.00 10.00 C ATOM 242 C GLN A 16 11.527 -3.900 1.555 1.00 10.00 C ATOM 243 O GLN A 16 12.258 -3.054 2.060 1.00 10.00 O ATOM 244 CB GLN A 16 13.556 -4.763 0.212 1.00 10.00 C ATOM 245 CG GLN A 16 14.186 -6.079 -0.280 1.00 10.00 C ATOM 246 CD GLN A 16 15.189 -6.614 0.737 1.00 10.00 C ATOM 247 OE1 GLN A 16 14.789 -7.137 1.776 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.482 -6.474 0.465 1.00 10.00 N ATOM 0 H GLN A 16 11.705 -4.511 -1.397 1.00 10.00 H new ATOM 0 HA GLN A 16 12.037 -5.903 1.152 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.628 -4.008 -0.571 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.115 -4.388 1.069 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.405 -6.820 -0.451 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.683 -5.914 -1.236 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.775 -6.035 -0.408 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.182 -6.806 1.129 1.00 10.00 H new ATOM 257 N CYS A 17 10.226 -4.005 1.835 1.00 10.00 N ATOM 258 CA CYS A 17 9.486 -3.190 2.779 1.00 10.00 C ATOM 259 C CYS A 17 8.126 -3.836 3.028 1.00 10.00 C ATOM 260 O CYS A 17 7.770 -4.050 4.181 1.00 10.00 O ATOM 261 CB CYS A 17 9.346 -1.762 2.309 1.00 10.00 C ATOM 262 SG CYS A 17 8.591 -0.838 3.677 1.00 10.00 S ATOM 0 H CYS A 17 9.636 -4.701 1.380 1.00 10.00 H new ATOM 0 HA CYS A 17 10.041 -3.144 3.716 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.318 -1.343 2.048 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.725 -1.707 1.415 1.00 10.00 H new ATOM 267 N HIS A 18 7.388 -4.169 1.959 1.00 10.00 N ATOM 268 CA HIS A 18 6.078 -4.798 2.057 1.00 10.00 C ATOM 269 C HIS A 18 6.145 -6.225 1.554 1.00 10.00 C ATOM 270 O HIS A 18 6.924 -6.543 0.661 1.00 10.00 O ATOM 271 CB HIS A 18 5.064 -4.068 1.181 1.00 10.00 C ATOM 272 CG HIS A 18 4.498 -2.830 1.815 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.578 -2.769 2.839 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.576 -1.592 1.255 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.116 -1.503 2.883 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.703 -0.746 1.934 1.00 10.00 N ATOM 0 H HIS A 18 7.692 -4.005 0.999 1.00 10.00 H new ATOM 0 HA HIS A 18 5.778 -4.764 3.104 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.540 -3.798 0.238 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.247 -4.749 0.942 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.299 -3.537 3.449 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.208 -1.313 0.425 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.376 -1.144 3.583 1.00 10.00 H new ATOM 284 N THR A 19 5.237 -7.049 2.064 1.00 10.00 N ATOM 285 CA THR A 19 5.098 -8.432 1.667 1.00 10.00 C ATOM 286 C THR A 19 3.626 -8.687 1.364 1.00 10.00 C ATOM 287 O THR A 19 2.805 -8.557 2.262 1.00 10.00 O ATOM 288 CB THR A 19 5.564 -9.296 2.838 1.00 10.00 C ATOM 289 OG1 THR A 19 6.790 -8.839 3.378 1.00 10.00 O ATOM 290 CG2 THR A 19 5.747 -10.727 2.366 1.00 10.00 C ATOM 0 H THR A 19 4.567 -6.762 2.778 1.00 10.00 H new ATOM 0 HA THR A 19 5.691 -8.667 0.783 1.00 10.00 H new ATOM 0 HB THR A 19 4.802 -9.235 3.615 1.00 10.00 H new ATOM 0 HG1 THR A 19 6.614 -8.297 4.175 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.079 -11.345 3.200 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.799 -11.109 1.986 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.494 -10.756 1.573 1.00 10.00 H new ATOM 298 N VAL A 20 3.268 -9.035 0.130 1.00 10.00 N ATOM 299 CA VAL A 20 1.870 -9.265 -0.234 1.00 10.00 C ATOM 300 C VAL A 20 1.530 -10.757 -0.280 1.00 10.00 C ATOM 301 O VAL A 20 0.501 -11.145 -0.827 1.00 10.00 O ATOM 302 CB VAL A 20 1.571 -8.570 -1.560 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.699 -7.055 -1.426 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.470 -9.023 -2.702 1.00 10.00 C ATOM 0 H VAL A 20 3.928 -9.164 -0.637 1.00 10.00 H new ATOM 0 HA VAL A 20 1.231 -8.835 0.538 1.00 10.00 H new ATOM 0 HB VAL A 20 0.547 -8.852 -1.803 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.481 -6.585 -2.385 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.994 -6.695 -0.677 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.714 -6.801 -1.120 1.00 10.00 H new ATOM 0 HG21 VAL A 20 2.200 -8.487 -3.612 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.510 -8.813 -2.452 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.345 -10.094 -2.861 1.00 10.00 H new ATOM 314 N GLU A 21 2.402 -11.577 0.306 1.00 10.00 N ATOM 315 CA GLU A 21 2.338 -13.023 0.312 1.00 10.00 C ATOM 316 C GLU A 21 1.966 -13.476 1.721 1.00 10.00 C ATOM 317 O GLU A 21 2.336 -12.820 2.699 1.00 10.00 O ATOM 318 CB GLU A 21 3.732 -13.569 -0.034 1.00 10.00 C ATOM 319 CG GLU A 21 4.269 -13.089 -1.395 1.00 10.00 C ATOM 320 CD GLU A 21 3.825 -13.972 -2.555 1.00 10.00 C ATOM 321 OE1 GLU A 21 2.771 -14.627 -2.410 1.00 10.00 O ATOM 322 OE2 GLU A 21 4.569 -13.985 -3.559 1.00 10.00 O ATOM 0 H GLU A 21 3.212 -11.223 0.814 1.00 10.00 H new ATOM 0 HA GLU A 21 1.603 -13.383 -0.408 1.00 10.00 H new ATOM 0 HB2 GLU A 21 4.432 -13.272 0.747 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.696 -14.658 -0.032 1.00 10.00 H new ATOM 0 HG2 GLU A 21 3.932 -12.068 -1.573 1.00 10.00 H new ATOM 0 HG3 GLU A 21 5.358 -13.063 -1.361 1.00 10.00 H new ATOM 329 N LYS A 22 1.333 -14.647 1.826 1.00 10.00 N ATOM 330 CA LYS A 22 0.972 -15.283 3.092 1.00 10.00 C ATOM 331 C LYS A 22 2.128 -15.420 4.083 1.00 10.00 C ATOM 332 O LYS A 22 1.902 -15.556 5.282 1.00 10.00 O ATOM 333 CB LYS A 22 0.295 -16.635 2.833 1.00 10.00 C ATOM 334 CG LYS A 22 1.145 -17.519 1.906 1.00 10.00 C ATOM 335 CD LYS A 22 1.235 -18.988 2.349 1.00 10.00 C ATOM 336 CE LYS A 22 0.120 -19.890 1.797 1.00 10.00 C ATOM 337 NZ LYS A 22 -1.179 -19.673 2.462 1.00 10.00 N ATOM 0 H LYS A 22 1.051 -15.192 1.011 1.00 10.00 H new ATOM 0 HA LYS A 22 0.266 -14.609 3.578 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.132 -17.149 3.780 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -0.686 -16.473 2.385 1.00 10.00 H new ATOM 0 HG2 LYS A 22 0.727 -17.479 0.900 1.00 10.00 H new ATOM 0 HG3 LYS A 22 2.152 -17.105 1.850 1.00 10.00 H new ATOM 0 HD2 LYS A 22 2.199 -19.390 2.036 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.211 -19.028 3.438 1.00 10.00 H new ATOM 0 HE2 LYS A 22 0.009 -19.709 0.728 1.00 10.00 H new ATOM 0 HE3 LYS A 22 0.412 -20.933 1.915 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -1.874 -20.354 2.096 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -1.070 -19.806 3.488 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -1.509 -18.705 2.271 1.00 10.00 H new ATOM 351 N GLY A 23 3.361 -15.388 3.580 1.00 10.00 N ATOM 352 CA GLY A 23 4.557 -15.388 4.401 1.00 10.00 C ATOM 353 C GLY A 23 4.527 -14.242 5.411 1.00 10.00 C ATOM 354 O GLY A 23 4.733 -14.472 6.598 1.00 10.00 O ATOM 0 H GLY A 23 3.553 -15.361 2.579 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.642 -16.339 4.927 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.438 -15.295 3.766 1.00 10.00 H new ATOM 358 N GLY A 24 4.271 -13.021 4.924 1.00 10.00 N ATOM 359 CA GLY A 24 4.223 -11.806 5.724 1.00 10.00 C ATOM 360 C GLY A 24 5.553 -11.441 6.402 1.00 10.00 C ATOM 361 O GLY A 24 6.082 -12.187 7.221 1.00 10.00 O ATOM 0 H GLY A 24 4.088 -12.854 3.935 1.00 10.00 H new ATOM 0 HA2 GLY A 24 3.914 -10.977 5.087 1.00 10.00 H new ATOM 0 HA3 GLY A 24 3.457 -11.920 6.491 1.00 10.00 H new ATOM 365 N LYS A 25 6.104 -10.262 6.096 1.00 10.00 N ATOM 366 CA LYS A 25 7.220 -9.695 6.838 1.00 10.00 C ATOM 367 C LYS A 25 6.966 -8.203 7.020 1.00 10.00 C ATOM 368 O LYS A 25 6.709 -7.507 6.039 1.00 10.00 O ATOM 369 CB LYS A 25 8.551 -9.939 6.111 1.00 10.00 C ATOM 370 CG LYS A 25 8.905 -11.429 5.999 1.00 10.00 C ATOM 371 CD LYS A 25 10.274 -11.580 5.320 1.00 10.00 C ATOM 372 CE LYS A 25 10.727 -13.048 5.224 1.00 10.00 C ATOM 373 NZ LYS A 25 11.714 -13.413 6.264 1.00 10.00 N ATOM 0 H LYS A 25 5.783 -9.678 5.324 1.00 10.00 H new ATOM 0 HA LYS A 25 7.296 -10.180 7.811 1.00 10.00 H new ATOM 0 HB2 LYS A 25 8.498 -9.507 5.112 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.349 -9.420 6.641 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.926 -11.884 6.989 1.00 10.00 H new ATOM 0 HG3 LYS A 25 8.142 -11.953 5.423 1.00 10.00 H new ATOM 0 HD2 LYS A 25 10.228 -11.151 4.319 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.017 -11.010 5.877 1.00 10.00 H new ATOM 0 HE2 LYS A 25 9.857 -13.698 5.311 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.160 -13.226 4.240 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 11.983 -14.411 6.152 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 12.558 -12.813 6.167 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 11.295 -13.271 7.205 1.00 10.00 H new ATOM 387 N HIS A 26 7.028 -7.756 8.280 1.00 10.00 N ATOM 388 CA HIS A 26 6.807 -6.382 8.699 1.00 10.00 C ATOM 389 C HIS A 26 7.878 -5.457 8.111 1.00 10.00 C ATOM 390 O HIS A 26 7.561 -4.513 7.401 1.00 10.00 O ATOM 391 CB HIS A 26 6.802 -6.317 10.237 1.00 10.00 C ATOM 392 CG HIS A 26 5.817 -7.252 10.903 1.00 10.00 C ATOM 393 ND1 HIS A 26 6.133 -8.371 11.645 1.00 10.00 N ATOM 394 CD2 HIS A 26 4.455 -7.113 10.935 1.00 10.00 C ATOM 395 CE1 HIS A 26 4.980 -8.898 12.095 1.00 10.00 C ATOM 396 NE2 HIS A 26 3.934 -8.169 11.682 1.00 10.00 N ATOM 0 H HIS A 26 7.243 -8.374 9.062 1.00 10.00 H new ATOM 0 HA HIS A 26 5.841 -6.041 8.326 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.804 -6.546 10.601 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.578 -5.295 10.544 1.00 10.00 H new ATOM 0 HD2 HIS A 26 3.885 -6.325 10.465 1.00 10.00 H new ATOM 0 HE1 HIS A 26 4.907 -9.786 12.705 1.00 10.00 H new ATOM 0 HE2 HIS A 26 2.949 -8.351 11.876 1.00 10.00 H new ATOM 404 N LYS A 27 9.153 -5.709 8.432 1.00 10.00 N ATOM 405 CA LYS A 27 10.280 -4.842 8.087 1.00 10.00 C ATOM 406 C LYS A 27 10.030 -3.385 8.510 1.00 10.00 C ATOM 407 O LYS A 27 10.435 -2.989 9.600 1.00 10.00 O ATOM 408 CB LYS A 27 10.642 -4.970 6.595 1.00 10.00 C ATOM 409 CG LYS A 27 11.248 -6.341 6.273 1.00 10.00 C ATOM 410 CD LYS A 27 11.650 -6.406 4.793 1.00 10.00 C ATOM 411 CE LYS A 27 12.250 -7.783 4.471 1.00 10.00 C ATOM 412 NZ LYS A 27 12.629 -7.917 3.049 1.00 10.00 N ATOM 0 H LYS A 27 9.433 -6.541 8.951 1.00 10.00 H new ATOM 0 HA LYS A 27 11.147 -5.180 8.655 1.00 10.00 H new ATOM 0 HB2 LYS A 27 9.749 -4.816 5.990 1.00 10.00 H new ATOM 0 HB3 LYS A 27 11.350 -4.187 6.324 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.120 -6.519 6.903 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.527 -7.127 6.497 1.00 10.00 H new ATOM 0 HD2 LYS A 27 10.780 -6.223 4.163 1.00 10.00 H new ATOM 0 HD3 LYS A 27 12.375 -5.623 4.570 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.129 -7.948 5.095 1.00 10.00 H new ATOM 0 HE3 LYS A 27 11.528 -8.559 4.726 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 12.868 -8.908 2.845 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 11.833 -7.622 2.448 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 13.453 -7.315 2.851 1.00 10.00 H new ATOM 426 N THR A 28 9.362 -2.613 7.651 1.00 10.00 N ATOM 427 CA THR A 28 8.978 -1.225 7.876 1.00 10.00 C ATOM 428 C THR A 28 7.465 -1.029 7.718 1.00 10.00 C ATOM 429 O THR A 28 6.918 -0.133 8.359 1.00 10.00 O ATOM 430 CB THR A 28 9.801 -0.307 6.963 1.00 10.00 C ATOM 431 OG1 THR A 28 11.164 -0.376 7.325 1.00 10.00 O ATOM 432 CG2 THR A 28 9.344 1.156 7.017 1.00 10.00 C ATOM 0 H THR A 28 9.062 -2.957 6.739 1.00 10.00 H new ATOM 0 HA THR A 28 9.204 -0.952 8.907 1.00 10.00 H new ATOM 0 HB THR A 28 9.650 -0.660 5.943 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.688 0.210 6.740 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.964 1.756 6.350 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.302 1.224 6.703 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.440 1.530 8.036 1.00 10.00 H new ATOM 440 N GLY A 29 6.772 -1.819 6.886 1.00 10.00 N ATOM 441 CA GLY A 29 5.346 -1.645 6.652 1.00 10.00 C ATOM 442 C GLY A 29 4.676 -2.987 6.443 1.00 10.00 C ATOM 443 O GLY A 29 5.325 -3.931 6.007 1.00 10.00 O ATOM 0 H GLY A 29 7.188 -2.590 6.363 1.00 10.00 H new ATOM 0 HA2 GLY A 29 4.892 -1.133 7.501 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.189 -1.013 5.778 1.00 10.00 H new ATOM 447 N PRO A 30 3.398 -3.116 6.818 1.00 10.00 N ATOM 448 CA PRO A 30 2.861 -4.421 7.100 1.00 10.00 C ATOM 449 C PRO A 30 2.742 -5.252 5.842 1.00 10.00 C ATOM 450 O PRO A 30 2.829 -4.753 4.716 1.00 10.00 O ATOM 451 CB PRO A 30 1.523 -4.191 7.811 1.00 10.00 C ATOM 452 CG PRO A 30 1.111 -2.777 7.392 1.00 10.00 C ATOM 453 CD PRO A 30 2.429 -2.064 7.083 1.00 10.00 C ATOM 0 HA PRO A 30 3.522 -5.001 7.744 1.00 10.00 H new ATOM 0 HB2 PRO A 30 0.780 -4.928 7.508 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.628 -4.271 8.893 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.458 -2.797 6.520 1.00 10.00 H new ATOM 0 HG3 PRO A 30 0.564 -2.271 8.188 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.324 -1.404 6.222 1.00 10.00 H new ATOM 0 HD3 PRO A 30 2.744 -1.445 7.923 1.00 10.00 H new ATOM 461 N ASN A 31 2.564 -6.553 6.063 1.00 10.00 N ATOM 462 CA ASN A 31 2.319 -7.461 4.976 1.00 10.00 C ATOM 463 C ASN A 31 1.047 -6.989 4.288 1.00 10.00 C ATOM 464 O ASN A 31 -0.031 -6.979 4.878 1.00 10.00 O ATOM 465 CB ASN A 31 2.258 -8.911 5.461 1.00 10.00 C ATOM 466 CG ASN A 31 1.106 -9.197 6.417 1.00 10.00 C ATOM 467 OD1 ASN A 31 0.913 -8.480 7.394 1.00 10.00 O ATOM 468 ND2 ASN A 31 0.366 -10.274 6.170 1.00 10.00 N ATOM 0 H ASN A 31 2.587 -6.988 6.985 1.00 10.00 H new ATOM 0 HA ASN A 31 3.137 -7.454 4.256 1.00 10.00 H new ATOM 0 HB2 ASN A 31 2.171 -9.569 4.596 1.00 10.00 H new ATOM 0 HB3 ASN A 31 3.197 -9.158 5.956 1.00 10.00 H new ATOM 0 HD21 ASN A 31 -0.392 -10.528 6.803 1.00 10.00 H new ATOM 0 HD22 ASN A 31 0.557 -10.846 5.347 1.00 10.00 H new ATOM 475 N LEU A 32 1.189 -6.550 3.043 1.00 10.00 N ATOM 476 CA LEU A 32 0.153 -5.903 2.261 1.00 10.00 C ATOM 477 C LEU A 32 -0.745 -7.006 1.688 1.00 10.00 C ATOM 478 O LEU A 32 -1.066 -7.010 0.507 1.00 10.00 O ATOM 479 CB LEU A 32 0.858 -5.043 1.190 1.00 10.00 C ATOM 480 CG LEU A 32 0.524 -3.557 1.236 1.00 10.00 C ATOM 481 CD1 LEU A 32 1.450 -2.806 0.274 1.00 10.00 C ATOM 482 CD2 LEU A 32 -0.907 -3.356 0.768 1.00 10.00 C ATOM 0 H LEU A 32 2.068 -6.641 2.533 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.488 -5.237 2.839 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.936 -5.162 1.302 1.00 10.00 H new ATOM 0 HB3 LEU A 32 0.595 -5.429 0.205 1.00 10.00 H new ATOM 0 HG LEU A 32 0.649 -3.186 2.253 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.217 -1.742 0.301 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.487 -2.958 0.574 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.306 -3.183 -0.738 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.154 -2.295 0.798 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -1.011 -3.724 -0.253 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.584 -3.905 1.422 1.00 10.00 H new ATOM 494 N HIS A 33 -1.105 -7.979 2.527 1.00 10.00 N ATOM 495 CA HIS A 33 -1.701 -9.247 2.163 1.00 10.00 C ATOM 496 C HIS A 33 -3.070 -9.285 2.839 1.00 10.00 C ATOM 497 O HIS A 33 -3.167 -9.347 4.062 1.00 10.00 O ATOM 498 CB HIS A 33 -0.765 -10.376 2.610 1.00 10.00 C ATOM 499 CG HIS A 33 -1.227 -11.750 2.201 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.315 -12.265 0.923 1.00 10.00 N ATOM 501 CD2 HIS A 33 -1.586 -12.741 3.069 1.00 10.00 C ATOM 502 CE1 HIS A 33 -1.770 -13.524 1.027 1.00 10.00 C ATOM 503 NE2 HIS A 33 -1.939 -13.863 2.316 1.00 10.00 N ATOM 0 H HIS A 33 -0.977 -7.889 3.535 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.838 -9.372 1.089 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.227 -10.198 2.194 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.666 -10.345 3.695 1.00 10.00 H new ATOM 0 HD1 HIS A 33 -1.078 -11.778 0.058 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.595 -12.670 4.147 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -1.972 -14.175 0.189 1.00 10.00 H new ATOM 511 N GLY A 34 -4.115 -9.163 2.024 1.00 10.00 N ATOM 512 CA GLY A 34 -5.498 -8.966 2.438 1.00 10.00 C ATOM 513 C GLY A 34 -5.910 -7.492 2.386 1.00 10.00 C ATOM 514 O GLY A 34 -6.825 -7.084 3.097 1.00 10.00 O ATOM 0 H GLY A 34 -4.014 -9.201 1.010 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.156 -9.549 1.793 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.630 -9.343 3.452 1.00 10.00 H new ATOM 518 N LEU A 35 -5.254 -6.690 1.536 1.00 10.00 N ATOM 519 CA LEU A 35 -5.548 -5.269 1.404 1.00 10.00 C ATOM 520 C LEU A 35 -7.015 -5.051 1.017 1.00 10.00 C ATOM 521 O LEU A 35 -7.748 -4.329 1.695 1.00 10.00 O ATOM 522 CB LEU A 35 -4.592 -4.638 0.371 1.00 10.00 C ATOM 523 CG LEU A 35 -4.674 -3.104 0.279 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.205 -2.405 1.556 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.926 -2.577 -0.944 1.00 10.00 C ATOM 0 H LEU A 35 -4.506 -7.015 0.924 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.391 -4.779 2.365 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.569 -4.920 0.621 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.808 -5.060 -0.610 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.730 -2.862 0.162 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.286 -1.325 1.431 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.827 -2.721 2.393 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.167 -2.670 1.756 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -4.004 -1.490 -0.978 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.876 -2.863 -0.880 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.363 -3.001 -1.848 1.00 10.00 H new ATOM 537 N PHE A 36 -7.444 -5.698 -0.073 1.00 10.00 N ATOM 538 CA PHE A 36 -8.791 -5.583 -0.620 1.00 10.00 C ATOM 539 C PHE A 36 -9.813 -6.337 0.224 1.00 10.00 C ATOM 540 O PHE A 36 -10.415 -7.306 -0.232 1.00 10.00 O ATOM 541 CB PHE A 36 -8.811 -6.076 -2.069 1.00 10.00 C ATOM 542 CG PHE A 36 -7.835 -5.348 -2.961 1.00 10.00 C ATOM 543 CD1 PHE A 36 -7.896 -3.954 -3.075 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.882 -6.055 -3.698 1.00 10.00 C ATOM 545 CE1 PHE A 36 -6.965 -3.262 -3.862 1.00 10.00 C ATOM 546 CE2 PHE A 36 -5.940 -5.356 -4.465 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.920 -3.957 -4.474 1.00 10.00 C ATOM 0 H PHE A 36 -6.847 -6.329 -0.608 1.00 10.00 H new ATOM 0 HA PHE A 36 -9.074 -4.530 -0.599 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.583 -7.142 -2.086 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.817 -5.959 -2.471 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -8.667 -3.407 -2.552 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -6.871 -7.135 -3.677 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -7.056 -2.194 -3.995 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -5.221 -5.904 -5.056 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.109 -3.423 -4.947 1.00 10.00 H new ATOM 557 N GLY A 37 -10.031 -5.854 1.443 1.00 10.00 N ATOM 558 CA GLY A 37 -11.051 -6.359 2.344 1.00 10.00 C ATOM 559 C GLY A 37 -10.676 -6.090 3.796 1.00 10.00 C ATOM 560 O GLY A 37 -10.868 -6.951 4.652 1.00 10.00 O ATOM 0 H GLY A 37 -9.490 -5.084 1.837 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.007 -5.887 2.118 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.180 -7.430 2.190 1.00 10.00 H new ATOM 564 N ARG A 38 -10.164 -4.890 4.089 1.00 10.00 N ATOM 565 CA ARG A 38 -9.824 -4.473 5.436 1.00 10.00 C ATOM 566 C ARG A 38 -9.905 -2.948 5.496 1.00 10.00 C ATOM 567 O ARG A 38 -9.868 -2.278 4.461 1.00 10.00 O ATOM 568 CB ARG A 38 -8.414 -4.963 5.816 1.00 10.00 C ATOM 569 CG ARG A 38 -8.362 -5.488 7.259 1.00 10.00 C ATOM 570 CD ARG A 38 -8.675 -6.994 7.321 1.00 10.00 C ATOM 571 NE ARG A 38 -9.626 -7.347 8.387 1.00 10.00 N ATOM 572 CZ ARG A 38 -9.412 -7.228 9.707 1.00 10.00 C ATOM 573 NH1 ARG A 38 -8.274 -6.686 10.156 1.00 10.00 N ATOM 574 NH2 ARG A 38 -10.338 -7.663 10.571 1.00 10.00 N ATOM 0 H ARG A 38 -9.975 -4.179 3.383 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.522 -4.909 6.151 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.107 -5.753 5.131 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -7.702 -4.146 5.701 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -7.374 -5.303 7.680 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.077 -4.941 7.873 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -9.081 -7.314 6.361 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.747 -7.545 7.474 1.00 10.00 H new ATOM 0 HE ARG A 38 -10.531 -7.716 8.096 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.568 -6.363 9.495 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -8.113 -6.596 11.159 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -11.201 -8.082 10.225 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -10.180 -7.575 11.575 1.00 10.00 H new ATOM 588 N LYS A 39 -10.021 -2.408 6.711 1.00 10.00 N ATOM 589 CA LYS A 39 -9.966 -0.988 6.987 1.00 10.00 C ATOM 590 C LYS A 39 -8.533 -0.615 7.372 1.00 10.00 C ATOM 591 O LYS A 39 -7.790 -1.444 7.890 1.00 10.00 O ATOM 592 CB LYS A 39 -10.964 -0.717 8.114 1.00 10.00 C ATOM 593 CG LYS A 39 -11.405 0.746 8.166 1.00 10.00 C ATOM 594 CD LYS A 39 -12.752 0.855 8.882 1.00 10.00 C ATOM 595 CE LYS A 39 -13.919 0.475 7.950 1.00 10.00 C ATOM 596 NZ LYS A 39 -15.211 1.016 8.421 1.00 10.00 N ATOM 0 H LYS A 39 -10.160 -2.972 7.549 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.233 -0.381 6.122 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.839 -1.353 7.980 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.513 -0.991 9.068 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -10.656 1.343 8.687 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -11.486 1.147 7.156 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -12.755 0.203 9.755 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -12.891 1.873 9.245 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -13.716 0.848 6.946 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -13.986 -0.611 7.879 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.966 0.735 7.763 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -15.420 0.641 9.368 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.158 2.054 8.464 1.00 10.00 H new ATOM 610 N THR A 40 -8.165 0.636 7.104 1.00 10.00 N ATOM 611 CA THR A 40 -6.828 1.190 7.287 1.00 10.00 C ATOM 612 C THR A 40 -6.172 0.798 8.610 1.00 10.00 C ATOM 613 O THR A 40 -5.263 -0.028 8.645 1.00 10.00 O ATOM 614 CB THR A 40 -6.917 2.715 7.166 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.999 3.185 7.954 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.132 3.155 5.721 1.00 10.00 C ATOM 0 H THR A 40 -8.823 1.323 6.736 1.00 10.00 H new ATOM 0 HA THR A 40 -6.188 0.769 6.511 1.00 10.00 H new ATOM 0 HB THR A 40 -5.973 3.134 7.515 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.832 3.114 7.442 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.190 4.243 5.677 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.299 2.811 5.108 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.061 2.727 5.345 1.00 10.00 H new ATOM 624 N GLY A 41 -6.613 1.424 9.699 1.00 10.00 N ATOM 625 CA GLY A 41 -6.082 1.191 11.035 1.00 10.00 C ATOM 626 C GLY A 41 -6.511 -0.155 11.626 1.00 10.00 C ATOM 627 O GLY A 41 -7.033 -0.191 12.737 1.00 10.00 O ATOM 0 H GLY A 41 -7.361 2.117 9.675 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -4.993 1.235 11.000 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.412 1.993 11.696 1.00 10.00 H new ATOM 631 N GLN A 42 -6.285 -1.252 10.898 1.00 10.00 N ATOM 632 CA GLN A 42 -6.477 -2.622 11.369 1.00 10.00 C ATOM 633 C GLN A 42 -5.362 -3.534 10.848 1.00 10.00 C ATOM 634 O GLN A 42 -5.630 -4.560 10.220 1.00 10.00 O ATOM 635 CB GLN A 42 -7.854 -3.158 10.954 1.00 10.00 C ATOM 636 CG GLN A 42 -9.014 -2.371 11.570 1.00 10.00 C ATOM 637 CD GLN A 42 -10.323 -3.151 11.482 1.00 10.00 C ATOM 638 OE1 GLN A 42 -10.459 -4.081 10.690 1.00 10.00 O ATOM 639 NE2 GLN A 42 -11.297 -2.796 12.315 1.00 10.00 N ATOM 0 H GLN A 42 -5.953 -1.207 9.935 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.433 -2.614 12.458 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.937 -3.126 9.868 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.935 -4.204 11.250 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.791 -2.148 12.613 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.122 -1.416 11.056 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -11.157 -2.020 12.962 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -12.184 -3.300 12.307 1.00 10.00 H new ATOM 648 N ALA A 43 -4.109 -3.171 11.134 1.00 10.00 N ATOM 649 CA ALA A 43 -2.954 -3.981 10.772 1.00 10.00 C ATOM 650 C ALA A 43 -2.828 -5.176 11.726 1.00 10.00 C ATOM 651 O ALA A 43 -3.056 -5.016 12.926 1.00 10.00 O ATOM 652 CB ALA A 43 -1.687 -3.129 10.839 1.00 10.00 C ATOM 0 H ALA A 43 -3.872 -2.308 11.623 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.085 -4.353 9.756 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.824 -3.738 10.568 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -1.774 -2.293 10.145 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.558 -2.748 11.852 1.00 10.00 H new ATOM 658 N PRO A 44 -2.454 -6.368 11.236 1.00 10.00 N ATOM 659 CA PRO A 44 -2.302 -7.539 12.080 1.00 10.00 C ATOM 660 C PRO A 44 -1.024 -7.437 12.921 1.00 10.00 C ATOM 661 O PRO A 44 0.065 -7.690 12.417 1.00 10.00 O ATOM 662 CB PRO A 44 -2.276 -8.730 11.115 1.00 10.00 C ATOM 663 CG PRO A 44 -1.707 -8.137 9.825 1.00 10.00 C ATOM 664 CD PRO A 44 -2.223 -6.697 9.838 1.00 10.00 C ATOM 0 HA PRO A 44 -3.113 -7.644 12.801 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -1.651 -9.539 11.494 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.273 -9.143 10.961 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.618 -8.173 9.813 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -2.054 -8.680 8.946 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.496 -6.018 9.392 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -3.142 -6.606 9.259 1.00 10.00 H new ATOM 672 N GLY A 45 -1.166 -7.088 14.207 1.00 10.00 N ATOM 673 CA GLY A 45 -0.093 -7.137 15.198 1.00 10.00 C ATOM 674 C GLY A 45 1.179 -6.438 14.720 1.00 10.00 C ATOM 675 O GLY A 45 2.245 -7.045 14.651 1.00 10.00 O ATOM 0 H GLY A 45 -2.051 -6.757 14.591 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.435 -6.670 16.122 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.134 -8.177 15.432 1.00 10.00 H new ATOM 679 N PHE A 46 1.054 -5.150 14.396 1.00 10.00 N ATOM 680 CA PHE A 46 2.093 -4.348 13.772 1.00 10.00 C ATOM 681 C PHE A 46 1.986 -2.922 14.329 1.00 10.00 C ATOM 682 O PHE A 46 0.908 -2.515 14.764 1.00 10.00 O ATOM 683 CB PHE A 46 1.871 -4.391 12.256 1.00 10.00 C ATOM 684 CG PHE A 46 2.615 -3.326 11.478 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.999 -3.448 11.253 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.953 -2.135 11.124 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.711 -2.397 10.650 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.669 -1.078 10.541 1.00 10.00 C ATOM 689 CZ PHE A 46 4.051 -1.203 10.317 1.00 10.00 C ATOM 0 H PHE A 46 0.197 -4.625 14.569 1.00 10.00 H new ATOM 0 HA PHE A 46 3.094 -4.724 13.984 1.00 10.00 H new ATOM 0 HB2 PHE A 46 2.174 -5.370 11.886 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.804 -4.290 12.055 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.515 -4.351 11.544 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.892 -2.035 11.301 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.765 -2.508 10.443 1.00 10.00 H new ATOM 0 HE2 PHE A 46 2.158 -0.168 10.264 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.605 -0.381 9.889 1.00 10.00 H new ATOM 699 N THR A 47 3.092 -2.173 14.324 1.00 10.00 N ATOM 700 CA THR A 47 3.165 -0.816 14.855 1.00 10.00 C ATOM 701 C THR A 47 2.669 0.191 13.803 1.00 10.00 C ATOM 702 O THR A 47 3.398 0.571 12.889 1.00 10.00 O ATOM 703 CB THR A 47 4.581 -0.538 15.398 1.00 10.00 C ATOM 704 OG1 THR A 47 4.687 0.809 15.807 1.00 10.00 O ATOM 705 CG2 THR A 47 5.725 -0.885 14.433 1.00 10.00 C ATOM 0 H THR A 47 3.978 -2.503 13.942 1.00 10.00 H new ATOM 0 HA THR A 47 2.496 -0.699 15.707 1.00 10.00 H new ATOM 0 HB THR A 47 4.702 -1.211 16.247 1.00 10.00 H new ATOM 0 HG1 THR A 47 5.589 0.976 16.152 1.00 10.00 H new ATOM 0 HG21 THR A 47 6.681 -0.655 14.904 1.00 10.00 H new ATOM 0 HG22 THR A 47 5.687 -1.947 14.190 1.00 10.00 H new ATOM 0 HG23 THR A 47 5.620 -0.300 13.519 1.00 10.00 H new ATOM 713 N TYR A 48 1.404 0.604 13.915 1.00 10.00 N ATOM 714 CA TYR A 48 0.764 1.540 13.001 1.00 10.00 C ATOM 715 C TYR A 48 1.101 2.974 13.400 1.00 10.00 C ATOM 716 O TYR A 48 1.419 3.240 14.558 1.00 10.00 O ATOM 717 CB TYR A 48 -0.755 1.312 13.007 1.00 10.00 C ATOM 718 CG TYR A 48 -1.400 1.376 14.382 1.00 10.00 C ATOM 719 CD1 TYR A 48 -1.697 2.620 14.972 1.00 10.00 C ATOM 720 CD2 TYR A 48 -1.633 0.189 15.103 1.00 10.00 C ATOM 721 CE1 TYR A 48 -2.194 2.678 16.286 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.151 0.249 16.409 1.00 10.00 C ATOM 723 CZ TYR A 48 -2.415 1.492 17.006 1.00 10.00 C ATOM 724 OH TYR A 48 -2.901 1.540 18.278 1.00 10.00 O ATOM 0 H TYR A 48 0.786 0.287 14.662 1.00 10.00 H new ATOM 0 HA TYR A 48 1.136 1.372 11.990 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.224 2.058 12.365 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -0.964 0.337 12.567 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -1.543 3.532 14.414 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -1.414 -0.768 14.653 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -2.406 3.634 16.742 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -2.346 -0.663 16.954 1.00 10.00 H new ATOM 0 HH TYR A 48 -2.994 0.629 18.627 1.00 10.00 H new ATOM 734 N THR A 49 0.986 3.900 12.446 1.00 10.00 N ATOM 735 CA THR A 49 1.242 5.312 12.673 1.00 10.00 C ATOM 736 C THR A 49 -0.071 6.044 12.993 1.00 10.00 C ATOM 737 O THR A 49 -1.126 5.657 12.479 1.00 10.00 O ATOM 738 CB THR A 49 1.906 5.900 11.414 1.00 10.00 C ATOM 739 OG1 THR A 49 2.846 5.004 10.848 1.00 10.00 O ATOM 740 CG2 THR A 49 2.639 7.199 11.737 1.00 10.00 C ATOM 0 H THR A 49 0.710 3.683 11.488 1.00 10.00 H new ATOM 0 HA THR A 49 1.909 5.439 13.525 1.00 10.00 H new ATOM 0 HB THR A 49 1.101 6.084 10.703 1.00 10.00 H new ATOM 0 HG1 THR A 49 2.454 4.573 10.060 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.099 7.593 10.830 1.00 10.00 H new ATOM 0 HG22 THR A 49 1.931 7.928 12.131 1.00 10.00 H new ATOM 0 HG23 THR A 49 3.412 7.005 12.481 1.00 10.00 H new ATOM 748 N ASP A 50 -0.010 7.124 13.787 1.00 10.00 N ATOM 749 CA ASP A 50 -1.142 7.994 14.128 1.00 10.00 C ATOM 750 C ASP A 50 -1.557 8.846 12.925 1.00 10.00 C ATOM 751 O ASP A 50 -1.499 10.072 12.943 1.00 10.00 O ATOM 752 CB ASP A 50 -0.794 8.876 15.335 1.00 10.00 C ATOM 753 CG ASP A 50 -0.581 8.064 16.601 1.00 10.00 C ATOM 754 OD1 ASP A 50 -1.517 7.315 16.956 1.00 10.00 O ATOM 755 OD2 ASP A 50 0.517 8.203 17.180 1.00 10.00 O ATOM 0 H ASP A 50 0.861 7.425 14.224 1.00 10.00 H new ATOM 0 HA ASP A 50 -1.991 7.366 14.398 1.00 10.00 H new ATOM 0 HB2 ASP A 50 0.108 9.447 15.116 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -1.595 9.596 15.499 1.00 10.00 H new ATOM 760 N ALA A 51 -1.992 8.164 11.871 1.00 10.00 N ATOM 761 CA ALA A 51 -2.412 8.731 10.604 1.00 10.00 C ATOM 762 C ALA A 51 -3.268 7.691 9.891 1.00 10.00 C ATOM 763 O ALA A 51 -4.357 7.999 9.408 1.00 10.00 O ATOM 764 CB ALA A 51 -1.192 9.127 9.764 1.00 10.00 C ATOM 0 H ALA A 51 -2.063 7.147 11.883 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.995 9.638 10.762 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.525 9.551 8.816 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.602 9.867 10.305 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.581 8.245 9.572 1.00 10.00 H new ATOM 770 N ASN A 52 -2.805 6.435 9.851 1.00 10.00 N ATOM 771 CA ASN A 52 -3.534 5.397 9.140 1.00 10.00 C ATOM 772 C ASN A 52 -4.926 5.218 9.739 1.00 10.00 C ATOM 773 O ASN A 52 -5.926 5.315 9.029 1.00 10.00 O ATOM 774 CB ASN A 52 -2.770 4.066 9.091 1.00 10.00 C ATOM 775 CG ASN A 52 -3.083 3.267 7.820 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.581 3.800 6.824 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.823 1.965 7.845 1.00 10.00 N ATOM 0 H ASN A 52 -1.942 6.124 10.297 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.639 5.726 8.106 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.699 4.261 9.141 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -3.026 3.469 9.966 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.035 1.387 7.032 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.411 1.543 8.677 1.00 10.00 H new ATOM 784 N LYS A 53 -4.978 5.009 11.058 1.00 10.00 N ATOM 785 CA LYS A 53 -6.224 4.874 11.804 1.00 10.00 C ATOM 786 C LYS A 53 -7.055 6.141 11.674 1.00 10.00 C ATOM 787 O LYS A 53 -8.273 6.074 11.537 1.00 10.00 O ATOM 788 CB LYS A 53 -5.915 4.557 13.279 1.00 10.00 C ATOM 789 CG LYS A 53 -7.090 3.900 14.034 1.00 10.00 C ATOM 790 CD LYS A 53 -8.098 4.880 14.659 1.00 10.00 C ATOM 791 CE LYS A 53 -7.548 5.533 15.937 1.00 10.00 C ATOM 792 NZ LYS A 53 -8.410 6.637 16.409 1.00 10.00 N ATOM 0 H LYS A 53 -4.145 4.929 11.640 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.806 4.050 11.391 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.050 3.895 13.325 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.638 5.480 13.789 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.624 3.246 13.344 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.685 3.268 14.824 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -8.348 5.655 13.934 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -9.022 4.351 14.891 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -7.461 4.780 16.720 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -6.544 5.913 15.747 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -8.003 7.050 17.273 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -8.473 7.368 15.672 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -9.361 6.271 16.615 1.00 10.00 H new ATOM 806 N ASN A 54 -6.386 7.294 11.718 1.00 10.00 N ATOM 807 CA ASN A 54 -7.031 8.589 11.575 1.00 10.00 C ATOM 808 C ASN A 54 -7.841 8.661 10.278 1.00 10.00 C ATOM 809 O ASN A 54 -8.845 9.361 10.214 1.00 10.00 O ATOM 810 CB ASN A 54 -5.982 9.708 11.636 1.00 10.00 C ATOM 811 CG ASN A 54 -6.560 10.942 12.311 1.00 10.00 C ATOM 812 OD1 ASN A 54 -6.931 11.912 11.661 1.00 10.00 O ATOM 813 ND2 ASN A 54 -6.638 10.900 13.639 1.00 10.00 N ATOM 0 H ASN A 54 -5.377 7.350 11.855 1.00 10.00 H new ATOM 0 HA ASN A 54 -7.728 8.723 12.402 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.105 9.363 12.184 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.650 9.959 10.629 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -7.018 11.695 14.153 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -6.318 10.073 14.143 1.00 10.00 H new ATOM 820 N LYS A 55 -7.404 7.919 9.255 1.00 10.00 N ATOM 821 CA LYS A 55 -8.057 7.868 7.960 1.00 10.00 C ATOM 822 C LYS A 55 -9.369 7.087 8.057 1.00 10.00 C ATOM 823 O LYS A 55 -10.429 7.597 7.706 1.00 10.00 O ATOM 824 CB LYS A 55 -7.072 7.250 6.953 1.00 10.00 C ATOM 825 CG LYS A 55 -7.162 7.904 5.569 1.00 10.00 C ATOM 826 CD LYS A 55 -5.812 7.923 4.827 1.00 10.00 C ATOM 827 CE LYS A 55 -5.134 6.564 4.591 1.00 10.00 C ATOM 828 NZ LYS A 55 -4.430 6.072 5.792 1.00 10.00 N ATOM 0 H LYS A 55 -6.573 7.331 9.313 1.00 10.00 H new ATOM 0 HA LYS A 55 -8.322 8.868 7.617 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.056 7.351 7.334 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.273 6.183 6.861 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.895 7.368 4.966 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.525 8.926 5.678 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.963 8.401 3.859 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.123 8.553 5.390 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -5.885 5.834 4.288 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.425 6.652 3.768 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -4.032 5.131 5.600 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -3.662 6.729 6.038 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -5.099 6.010 6.586 1.00 10.00 H new ATOM 842 N GLY A 56 -9.299 5.838 8.526 1.00 10.00 N ATOM 843 CA GLY A 56 -10.484 5.038 8.805 1.00 10.00 C ATOM 844 C GLY A 56 -11.256 4.628 7.548 1.00 10.00 C ATOM 845 O GLY A 56 -12.457 4.369 7.620 1.00 10.00 O ATOM 0 H GLY A 56 -8.420 5.359 8.721 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.187 4.141 9.348 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.147 5.602 9.461 1.00 10.00 H new ATOM 849 N ILE A 57 -10.562 4.513 6.411 1.00 10.00 N ATOM 850 CA ILE A 57 -11.147 4.174 5.116 1.00 10.00 C ATOM 851 C ILE A 57 -10.783 2.740 4.749 1.00 10.00 C ATOM 852 O ILE A 57 -10.028 2.084 5.474 1.00 10.00 O ATOM 853 CB ILE A 57 -10.710 5.181 4.031 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.202 5.138 3.754 1.00 10.00 C ATOM 855 CG2 ILE A 57 -11.186 6.585 4.419 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.779 5.947 2.525 1.00 10.00 C ATOM 0 H ILE A 57 -9.553 4.657 6.368 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.233 4.240 5.183 1.00 10.00 H new ATOM 0 HB ILE A 57 -11.182 4.895 3.091 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.670 5.516 4.627 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.896 4.101 3.618 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.878 7.298 3.654 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.273 6.590 4.504 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.746 6.867 5.376 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.700 5.870 2.392 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -9.282 5.556 1.641 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -9.053 6.993 2.666 1.00 10.00 H new ATOM 868 N THR A 58 -11.328 2.265 3.628 1.00 10.00 N ATOM 869 CA THR A 58 -11.080 0.951 3.075 1.00 10.00 C ATOM 870 C THR A 58 -10.104 1.063 1.899 1.00 10.00 C ATOM 871 O THR A 58 -10.039 2.080 1.202 1.00 10.00 O ATOM 872 CB THR A 58 -12.420 0.343 2.644 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.109 1.263 1.822 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.290 0.048 3.870 1.00 10.00 C ATOM 0 H THR A 58 -11.978 2.814 3.065 1.00 10.00 H new ATOM 0 HA THR A 58 -10.624 0.298 3.819 1.00 10.00 H new ATOM 0 HB THR A 58 -12.223 -0.583 2.103 1.00 10.00 H new ATOM 0 HG1 THR A 58 -13.965 0.876 1.544 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.238 -0.383 3.548 1.00 10.00 H new ATOM 0 HG22 THR A 58 -12.773 -0.657 4.522 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.478 0.974 4.414 1.00 10.00 H new ATOM 882 N TRP A 59 -9.333 0.002 1.678 1.00 10.00 N ATOM 883 CA TRP A 59 -8.367 -0.062 0.599 1.00 10.00 C ATOM 884 C TRP A 59 -8.919 -0.914 -0.529 1.00 10.00 C ATOM 885 O TRP A 59 -8.507 -2.055 -0.692 1.00 10.00 O ATOM 886 CB TRP A 59 -7.066 -0.609 1.160 1.00 10.00 C ATOM 887 CG TRP A 59 -6.386 0.333 2.084 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.268 0.163 3.414 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.794 1.627 1.777 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.520 1.206 3.926 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.248 2.165 2.975 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.675 2.411 0.610 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.588 3.402 3.014 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -5.063 3.674 0.649 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.508 4.169 1.842 1.00 10.00 C ATOM 0 H TRP A 59 -9.366 -0.842 2.251 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.172 0.926 0.182 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.269 -1.542 1.686 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.394 -0.848 0.336 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -6.688 -0.652 3.985 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.206 1.260 4.895 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.060 2.034 -0.326 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.148 3.759 3.933 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -5.018 4.273 -0.249 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -4.023 5.134 1.856 1.00 10.00 H new ATOM 906 N LYS A 60 -9.871 -0.364 -1.289 1.00 10.00 N ATOM 907 CA LYS A 60 -10.572 -1.125 -2.318 1.00 10.00 C ATOM 908 C LYS A 60 -9.829 -1.144 -3.661 1.00 10.00 C ATOM 909 O LYS A 60 -9.876 -2.161 -4.339 1.00 10.00 O ATOM 910 CB LYS A 60 -12.033 -0.673 -2.445 1.00 10.00 C ATOM 911 CG LYS A 60 -12.197 0.753 -2.982 1.00 10.00 C ATOM 912 CD LYS A 60 -13.648 1.020 -3.414 1.00 10.00 C ATOM 913 CE LYS A 60 -13.606 2.090 -4.510 1.00 10.00 C ATOM 914 NZ LYS A 60 -14.921 2.480 -5.051 1.00 10.00 N ATOM 0 H LYS A 60 -10.172 0.607 -1.208 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.588 -2.165 -1.991 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.560 -1.362 -3.105 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.510 -0.740 -1.467 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.906 1.470 -2.214 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.529 0.905 -3.830 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -14.113 0.107 -3.786 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -14.245 1.360 -2.568 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.116 2.978 -4.111 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -12.987 1.725 -5.329 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -14.791 3.181 -5.808 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.401 1.641 -5.435 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.500 2.893 -4.292 1.00 10.00 H new ATOM 928 N GLU A 61 -9.170 -0.031 -4.021 1.00 10.00 N ATOM 929 CA GLU A 61 -8.335 0.199 -5.209 1.00 10.00 C ATOM 930 C GLU A 61 -8.349 1.684 -5.560 1.00 10.00 C ATOM 931 O GLU A 61 -7.298 2.292 -5.703 1.00 10.00 O ATOM 932 CB GLU A 61 -8.683 -0.668 -6.438 1.00 10.00 C ATOM 933 CG GLU A 61 -10.148 -0.573 -6.910 1.00 10.00 C ATOM 934 CD GLU A 61 -10.596 -1.837 -7.649 1.00 10.00 C ATOM 935 OE1 GLU A 61 -9.785 -2.380 -8.432 1.00 10.00 O ATOM 936 OE2 GLU A 61 -11.752 -2.254 -7.415 1.00 10.00 O ATOM 0 H GLU A 61 -9.212 0.804 -3.436 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.329 -0.121 -4.936 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -8.032 -0.379 -7.263 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.459 -1.709 -6.204 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.796 -0.407 -6.049 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.262 0.290 -7.566 1.00 10.00 H new ATOM 943 N GLU A 62 -9.533 2.285 -5.657 1.00 10.00 N ATOM 944 CA GLU A 62 -9.694 3.707 -5.954 1.00 10.00 C ATOM 945 C GLU A 62 -8.928 4.561 -4.929 1.00 10.00 C ATOM 946 O GLU A 62 -8.258 5.527 -5.276 1.00 10.00 O ATOM 947 CB GLU A 62 -11.197 4.015 -5.981 1.00 10.00 C ATOM 948 CG GLU A 62 -11.648 5.091 -6.975 1.00 10.00 C ATOM 949 CD GLU A 62 -13.166 5.071 -7.154 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.846 4.504 -6.265 1.00 10.00 O ATOM 951 OE2 GLU A 62 -13.631 5.577 -8.194 1.00 10.00 O ATOM 0 H GLU A 62 -10.417 1.793 -5.530 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.270 3.955 -6.927 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.732 3.093 -6.208 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.502 4.323 -4.981 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.333 6.073 -6.621 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.163 4.928 -7.937 1.00 10.00 H new ATOM 958 N THR A 63 -8.988 4.185 -3.649 1.00 10.00 N ATOM 959 CA THR A 63 -8.282 4.907 -2.605 1.00 10.00 C ATOM 960 C THR A 63 -6.762 4.798 -2.819 1.00 10.00 C ATOM 961 O THR A 63 -6.062 5.806 -2.982 1.00 10.00 O ATOM 962 CB THR A 63 -8.752 4.391 -1.234 1.00 10.00 C ATOM 963 OG1 THR A 63 -8.702 2.976 -1.177 1.00 10.00 O ATOM 964 CG2 THR A 63 -10.210 4.784 -0.979 1.00 10.00 C ATOM 0 H THR A 63 -9.522 3.382 -3.317 1.00 10.00 H new ATOM 0 HA THR A 63 -8.513 5.971 -2.644 1.00 10.00 H new ATOM 0 HB THR A 63 -8.088 4.833 -0.491 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.237 2.660 -0.419 1.00 10.00 H new ATOM 0 HG21 THR A 63 -10.523 4.409 -0.004 1.00 10.00 H new ATOM 0 HG22 THR A 63 -10.303 5.870 -0.997 1.00 10.00 H new ATOM 0 HG23 THR A 63 -10.844 4.353 -1.754 1.00 10.00 H new ATOM 972 N LEU A 64 -6.248 3.563 -2.835 1.00 10.00 N ATOM 973 CA LEU A 64 -4.832 3.310 -3.048 1.00 10.00 C ATOM 974 C LEU A 64 -4.324 3.946 -4.340 1.00 10.00 C ATOM 975 O LEU A 64 -3.247 4.523 -4.330 1.00 10.00 O ATOM 976 CB LEU A 64 -4.403 1.841 -2.886 1.00 10.00 C ATOM 977 CG LEU A 64 -5.273 0.741 -3.469 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.409 -0.427 -3.945 1.00 10.00 C ATOM 979 CD2 LEU A 64 -6.301 0.263 -2.436 1.00 10.00 C ATOM 0 H LEU A 64 -6.805 2.719 -2.701 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.329 3.815 -2.223 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -3.410 1.740 -3.325 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.301 1.646 -1.818 1.00 10.00 H new ATOM 0 HG LEU A 64 -5.811 1.145 -4.327 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -5.048 -1.207 -4.360 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -3.717 -0.079 -4.712 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -3.846 -0.829 -3.103 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -6.915 -0.525 -2.872 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -5.782 -0.124 -1.559 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -6.937 1.098 -2.142 1.00 10.00 H new ATOM 991 N MET A 65 -5.084 3.898 -5.430 1.00 10.00 N ATOM 992 CA MET A 65 -4.734 4.545 -6.685 1.00 10.00 C ATOM 993 C MET A 65 -4.201 5.966 -6.472 1.00 10.00 C ATOM 994 O MET A 65 -3.149 6.303 -7.012 1.00 10.00 O ATOM 995 CB MET A 65 -5.953 4.543 -7.614 1.00 10.00 C ATOM 996 CG MET A 65 -6.073 3.285 -8.483 1.00 10.00 C ATOM 997 SD MET A 65 -6.129 3.638 -10.258 1.00 10.00 S ATOM 998 CE MET A 65 -6.376 1.971 -10.904 1.00 10.00 C ATOM 0 H MET A 65 -5.974 3.400 -5.464 1.00 10.00 H new ATOM 0 HA MET A 65 -3.926 3.980 -7.150 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.856 4.644 -7.012 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.904 5.417 -8.263 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.227 2.629 -8.277 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.974 2.742 -8.200 1.00 10.00 H new ATOM 0 HE1 MET A 65 -6.662 2.026 -11.954 1.00 10.00 H new ATOM 0 HE2 MET A 65 -5.450 1.403 -10.809 1.00 10.00 H new ATOM 0 HE3 MET A 65 -7.165 1.475 -10.339 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.881 6.795 -5.678 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.390 8.137 -5.434 1.00 10.00 C ATOM 1010 C GLU A 66 -3.237 8.066 -4.444 1.00 10.00 C ATOM 1011 O GLU A 66 -2.213 8.705 -4.655 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.521 9.062 -4.974 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.200 9.708 -6.190 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.872 8.714 -7.131 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -8.058 8.429 -6.872 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -6.201 8.295 -8.108 1.00 10.00 O ATOM 0 H GLU A 66 -5.754 6.561 -5.205 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.013 8.573 -6.359 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.252 8.496 -4.397 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.124 9.835 -4.316 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.946 10.421 -5.839 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -5.456 10.275 -6.749 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.377 7.278 -3.378 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.359 7.160 -2.341 1.00 10.00 C ATOM 1025 C TYR A 67 -0.974 6.874 -2.940 1.00 10.00 C ATOM 1026 O TYR A 67 -0.014 7.581 -2.650 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.795 6.071 -1.359 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.050 6.040 -0.038 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.121 7.132 0.847 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.346 4.882 0.344 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.452 7.090 2.083 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.698 4.831 1.588 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.736 5.937 2.449 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.072 5.884 3.635 1.00 10.00 O ATOM 0 H TYR A 67 -4.203 6.703 -3.211 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.265 8.107 -1.809 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.858 6.198 -1.153 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.678 5.102 -1.844 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.693 8.007 0.575 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.305 4.032 -0.321 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.488 7.940 2.748 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.168 3.937 1.883 1.00 10.00 H new ATOM 0 HH TYR A 67 0.367 5.013 3.725 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.881 5.876 -3.821 1.00 10.00 N ATOM 1045 CA LEU A 68 0.343 5.455 -4.497 1.00 10.00 C ATOM 1046 C LEU A 68 0.936 6.538 -5.404 1.00 10.00 C ATOM 1047 O LEU A 68 2.084 6.402 -5.828 1.00 10.00 O ATOM 1048 CB LEU A 68 0.074 4.186 -5.323 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.397 2.972 -4.510 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.537 1.758 -5.436 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.528 2.648 -3.339 1.00 10.00 C ATOM 0 H LEU A 68 -1.690 5.318 -4.092 1.00 10.00 H new ATOM 0 HA LEU A 68 1.077 5.256 -3.716 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.679 4.414 -6.077 1.00 10.00 H new ATOM 0 HB3 LEU A 68 0.986 3.917 -5.855 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.365 3.223 -4.078 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.871 0.896 -4.858 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -1.266 1.977 -6.216 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.427 1.536 -5.893 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.144 1.781 -2.801 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.527 2.429 -3.715 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.573 3.503 -2.664 1.00 10.00 H new ATOM 1063 N GLU A 69 0.169 7.586 -5.715 1.00 10.00 N ATOM 1064 CA GLU A 69 0.610 8.716 -6.521 1.00 10.00 C ATOM 1065 C GLU A 69 0.451 10.038 -5.760 1.00 10.00 C ATOM 1066 O GLU A 69 0.578 11.110 -6.350 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.172 8.686 -7.848 1.00 10.00 C ATOM 1068 CG GLU A 69 0.670 8.104 -8.999 1.00 10.00 C ATOM 1069 CD GLU A 69 1.184 9.197 -9.923 1.00 10.00 C ATOM 1070 OE1 GLU A 69 0.312 9.804 -10.582 1.00 10.00 O ATOM 1071 OE2 GLU A 69 2.419 9.379 -9.971 1.00 10.00 O ATOM 0 H GLU A 69 -0.799 7.670 -5.403 1.00 10.00 H new ATOM 0 HA GLU A 69 1.675 8.638 -6.740 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.076 8.090 -7.723 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.489 9.697 -8.105 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.512 7.547 -8.589 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.068 7.397 -9.570 1.00 10.00 H new ATOM 1078 N ASN A 70 0.154 9.995 -4.455 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.196 11.192 -3.702 1.00 10.00 C ATOM 1080 C ASN A 70 -0.449 10.862 -2.225 1.00 10.00 C ATOM 1081 O ASN A 70 -1.508 11.183 -1.686 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.405 11.903 -4.366 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.075 13.340 -4.752 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.387 14.050 -4.023 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -1.584 13.794 -5.894 1.00 10.00 N ATOM 0 H ASN A 70 0.151 9.137 -3.903 1.00 10.00 H new ATOM 0 HA ASN A 70 0.646 11.884 -3.723 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.710 11.349 -5.254 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.252 11.896 -3.680 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -1.407 14.755 -6.185 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.152 13.181 -6.479 1.00 10.00 H new ATOM 1092 N PRO A 71 0.518 10.262 -1.512 1.00 10.00 N ATOM 1093 CA PRO A 71 0.293 9.863 -0.131 1.00 10.00 C ATOM 1094 C PRO A 71 0.009 11.086 0.750 1.00 10.00 C ATOM 1095 O PRO A 71 -0.794 11.020 1.679 1.00 10.00 O ATOM 1096 CB PRO A 71 1.540 9.073 0.280 1.00 10.00 C ATOM 1097 CG PRO A 71 2.636 9.582 -0.660 1.00 10.00 C ATOM 1098 CD PRO A 71 1.879 9.957 -1.937 1.00 10.00 C ATOM 0 HA PRO A 71 -0.590 9.236 -0.011 1.00 10.00 H new ATOM 0 HB2 PRO A 71 1.797 9.251 1.324 1.00 10.00 H new ATOM 0 HB3 PRO A 71 1.386 8.000 0.168 1.00 10.00 H new ATOM 0 HG2 PRO A 71 3.158 10.441 -0.238 1.00 10.00 H new ATOM 0 HG3 PRO A 71 3.387 8.815 -0.851 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.338 10.816 -2.427 1.00 10.00 H new ATOM 0 HD3 PRO A 71 1.891 9.137 -2.655 1.00 10.00 H new ATOM 1106 N LYS A 72 0.637 12.223 0.429 1.00 10.00 N ATOM 1107 CA LYS A 72 0.460 13.453 1.185 1.00 10.00 C ATOM 1108 C LYS A 72 -0.961 13.994 1.083 1.00 10.00 C ATOM 1109 O LYS A 72 -1.455 14.603 2.027 1.00 10.00 O ATOM 1110 CB LYS A 72 1.394 14.561 0.691 1.00 10.00 C ATOM 1111 CG LYS A 72 2.850 14.124 0.545 1.00 10.00 C ATOM 1112 CD LYS A 72 3.245 13.880 -0.925 1.00 10.00 C ATOM 1113 CE LYS A 72 4.741 14.131 -1.196 1.00 10.00 C ATOM 1114 NZ LYS A 72 4.971 14.734 -2.526 1.00 10.00 N ATOM 0 H LYS A 72 1.278 12.309 -0.360 1.00 10.00 H new ATOM 0 HA LYS A 72 0.688 13.188 2.218 1.00 10.00 H new ATOM 0 HB2 LYS A 72 1.035 14.922 -0.273 1.00 10.00 H new ATOM 0 HB3 LYS A 72 1.345 15.400 1.385 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.500 14.888 0.971 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.012 13.211 1.118 1.00 10.00 H new ATOM 0 HD2 LYS A 72 3.000 12.853 -1.196 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.651 14.530 -1.568 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.143 14.789 -0.426 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.285 13.189 -1.126 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 5.990 14.886 -2.667 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 4.611 14.095 -3.264 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 4.474 15.646 -2.585 1.00 10.00 H new ATOM 1128 N LYS A 73 -1.581 13.840 -0.092 1.00 10.00 N ATOM 1129 CA LYS A 73 -2.864 14.456 -0.400 1.00 10.00 C ATOM 1130 C LYS A 73 -3.929 13.972 0.585 1.00 10.00 C ATOM 1131 O LYS A 73 -4.857 14.710 0.903 1.00 10.00 O ATOM 1132 CB LYS A 73 -3.222 14.142 -1.858 1.00 10.00 C ATOM 1133 CG LYS A 73 -4.410 14.948 -2.399 1.00 10.00 C ATOM 1134 CD LYS A 73 -4.603 14.597 -3.884 1.00 10.00 C ATOM 1135 CE LYS A 73 -5.956 15.059 -4.447 1.00 10.00 C ATOM 1136 NZ LYS A 73 -6.056 16.528 -4.576 1.00 10.00 N ATOM 0 H LYS A 73 -1.200 13.281 -0.855 1.00 10.00 H new ATOM 0 HA LYS A 73 -2.808 15.539 -0.291 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -2.351 14.334 -2.484 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -3.448 13.079 -1.945 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -5.313 14.716 -1.835 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -4.227 16.016 -2.283 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -3.801 15.052 -4.465 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -4.514 13.518 -4.010 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -6.112 14.602 -5.424 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -6.755 14.702 -3.797 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -6.989 16.780 -4.960 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -5.936 16.968 -3.641 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -5.313 16.872 -5.218 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.773 12.739 1.074 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.547 12.232 2.190 1.00 10.00 C ATOM 1152 C TYR A 74 -4.121 12.922 3.486 1.00 10.00 C ATOM 1153 O TYR A 74 -4.955 13.517 4.163 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.373 10.717 2.284 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.139 9.968 1.216 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -4.581 9.767 -0.060 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -6.457 9.551 1.473 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -5.291 9.035 -1.026 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -7.149 8.787 0.523 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.561 8.519 -0.721 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.245 7.769 -1.623 1.00 10.00 O ATOM 0 H TYR A 74 -3.102 12.069 0.700 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.603 12.449 2.031 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.314 10.473 2.203 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.704 10.379 3.266 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -3.609 10.175 -0.296 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.936 9.819 2.403 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -4.861 8.869 -2.003 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -8.134 8.405 0.749 1.00 10.00 H new ATOM 0 HH TYR A 74 -6.625 7.169 -2.087 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.838 12.817 3.851 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.324 13.421 5.075 1.00 10.00 C ATOM 1173 C ILE A 75 -0.800 13.613 4.983 1.00 10.00 C ATOM 1174 O ILE A 75 -0.068 12.631 4.857 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.770 12.600 6.305 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.132 13.139 7.598 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.515 11.091 6.166 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -3.091 13.009 8.785 1.00 10.00 C ATOM 0 H ILE A 75 -2.136 12.314 3.308 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.748 14.417 5.200 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.851 12.725 6.363 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -1.213 12.592 7.808 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -1.857 14.185 7.462 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.853 10.580 7.067 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -3.062 10.707 5.305 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.449 10.913 6.027 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -2.612 13.398 9.684 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -3.999 13.577 8.583 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -3.345 11.960 8.934 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.281 14.853 5.051 1.00 10.00 N ATOM 1191 CA PRO A 76 1.150 15.115 4.976 1.00 10.00 C ATOM 1192 C PRO A 76 1.834 14.813 6.319 1.00 10.00 C ATOM 1193 O PRO A 76 2.403 15.698 6.952 1.00 10.00 O ATOM 1194 CB PRO A 76 1.258 16.585 4.553 1.00 10.00 C ATOM 1195 CG PRO A 76 0.018 17.219 5.180 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.026 16.105 5.093 1.00 10.00 C ATOM 0 HA PRO A 76 1.664 14.473 4.261 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.175 17.044 4.922 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.261 16.693 3.468 1.00 10.00 H new ATOM 0 HG2 PRO A 76 0.198 17.522 6.211 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.297 18.110 4.637 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.696 16.131 5.953 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.645 16.220 4.203 1.00 10.00 H new ATOM 1204 N GLY A 77 1.803 13.547 6.744 1.00 10.00 N ATOM 1205 CA GLY A 77 2.490 13.069 7.939 1.00 10.00 C ATOM 1206 C GLY A 77 2.375 11.552 7.976 1.00 10.00 C ATOM 1207 O GLY A 77 1.574 11.003 8.730 1.00 10.00 O ATOM 0 H GLY A 77 1.289 12.814 6.255 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.537 13.371 7.922 1.00 10.00 H new ATOM 0 HA3 GLY A 77 2.046 13.506 8.834 1.00 10.00 H new ATOM 1211 N THR A 78 3.130 10.861 7.115 1.00 10.00 N ATOM 1212 CA THR A 78 3.077 9.406 7.030 1.00 10.00 C ATOM 1213 C THR A 78 4.439 8.832 6.630 1.00 10.00 C ATOM 1214 O THR A 78 5.188 8.387 7.498 1.00 10.00 O ATOM 1215 CB THR A 78 1.896 8.970 6.138 1.00 10.00 C ATOM 1216 OG1 THR A 78 0.695 9.554 6.595 1.00 10.00 O ATOM 1217 CG2 THR A 78 1.691 7.456 6.147 1.00 10.00 C ATOM 0 H THR A 78 3.787 11.293 6.466 1.00 10.00 H new ATOM 0 HA THR A 78 2.875 8.978 8.012 1.00 10.00 H new ATOM 0 HB THR A 78 2.140 9.298 5.128 1.00 10.00 H new ATOM 0 HG1 THR A 78 -0.064 9.150 6.125 1.00 10.00 H new ATOM 0 HG21 THR A 78 0.849 7.199 5.505 1.00 10.00 H new ATOM 0 HG22 THR A 78 2.591 6.965 5.778 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.486 7.123 7.164 1.00 10.00 H new ATOM 1225 N LYS A 79 4.753 8.811 5.331 1.00 10.00 N ATOM 1226 CA LYS A 79 6.019 8.342 4.778 1.00 10.00 C ATOM 1227 C LYS A 79 5.975 8.590 3.272 1.00 10.00 C ATOM 1228 O LYS A 79 5.559 7.736 2.491 1.00 10.00 O ATOM 1229 CB LYS A 79 6.313 6.869 5.122 1.00 10.00 C ATOM 1230 CG LYS A 79 5.243 5.905 4.595 1.00 10.00 C ATOM 1231 CD LYS A 79 4.940 4.752 5.555 1.00 10.00 C ATOM 1232 CE LYS A 79 4.361 5.201 6.910 1.00 10.00 C ATOM 1233 NZ LYS A 79 5.308 5.131 8.044 1.00 10.00 N ATOM 0 H LYS A 79 4.105 9.133 4.612 1.00 10.00 H new ATOM 0 HA LYS A 79 6.845 8.894 5.227 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.281 6.591 4.706 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.389 6.763 6.204 1.00 10.00 H new ATOM 0 HG2 LYS A 79 4.325 6.461 4.405 1.00 10.00 H new ATOM 0 HG3 LYS A 79 5.571 5.496 3.639 1.00 10.00 H new ATOM 0 HD2 LYS A 79 4.235 4.071 5.078 1.00 10.00 H new ATOM 0 HD3 LYS A 79 5.857 4.189 5.732 1.00 10.00 H new ATOM 0 HE2 LYS A 79 4.005 6.227 6.815 1.00 10.00 H new ATOM 0 HE3 LYS A 79 3.493 4.583 7.141 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 4.995 4.399 8.713 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 6.256 4.893 7.690 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 5.340 6.051 8.527 1.00 10.00 H new ATOM 1247 N MET A 80 6.340 9.800 2.868 1.00 10.00 N ATOM 1248 CA MET A 80 6.456 10.122 1.458 1.00 10.00 C ATOM 1249 C MET A 80 7.779 9.572 0.961 1.00 10.00 C ATOM 1250 O MET A 80 8.763 9.725 1.685 1.00 10.00 O ATOM 1251 CB MET A 80 6.472 11.634 1.263 1.00 10.00 C ATOM 1252 CG MET A 80 5.286 12.303 1.951 1.00 10.00 C ATOM 1253 SD MET A 80 5.493 12.836 3.668 1.00 10.00 S ATOM 1254 CE MET A 80 6.594 14.247 3.405 1.00 10.00 C ATOM 0 H MET A 80 6.560 10.571 3.498 1.00 10.00 H new ATOM 0 HA MET A 80 5.613 9.694 0.916 1.00 10.00 H new ATOM 0 HB2 MET A 80 7.401 12.043 1.660 1.00 10.00 H new ATOM 0 HB3 MET A 80 6.452 11.864 0.198 1.00 10.00 H new ATOM 0 HG2 MET A 80 5.006 13.176 1.361 1.00 10.00 H new ATOM 0 HG3 MET A 80 4.445 11.611 1.915 1.00 10.00 H new ATOM 0 HE1 MET A 80 7.432 14.189 4.099 1.00 10.00 H new ATOM 0 HE2 MET A 80 6.968 14.231 2.381 1.00 10.00 H new ATOM 0 HE3 MET A 80 6.045 15.173 3.576 1.00 10.00 H new ATOM 1264 N ILE A 81 7.812 8.952 -0.231 1.00 10.00 N ATOM 1265 CA ILE A 81 9.040 8.342 -0.727 1.00 10.00 C ATOM 1266 C ILE A 81 9.511 8.905 -2.062 1.00 10.00 C ATOM 1267 O ILE A 81 10.610 9.443 -2.169 1.00 10.00 O ATOM 1268 CB ILE A 81 8.974 6.789 -0.772 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.918 6.124 0.132 1.00 10.00 C ATOM 1270 CG2 ILE A 81 10.361 6.174 -0.545 1.00 10.00 C ATOM 1271 CD1 ILE A 81 8.202 6.213 1.631 1.00 10.00 C ATOM 0 H ILE A 81 7.010 8.865 -0.855 1.00 10.00 H new ATOM 0 HA ILE A 81 9.792 8.618 0.012 1.00 10.00 H new ATOM 0 HB ILE A 81 8.628 6.569 -1.782 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.950 6.584 -0.067 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.835 5.073 -0.145 1.00 10.00 H new ATOM 0 HG21 ILE A 81 10.287 5.087 -0.581 1.00 10.00 H new ATOM 0 HG22 ILE A 81 11.043 6.518 -1.323 1.00 10.00 H new ATOM 0 HG23 ILE A 81 10.739 6.480 0.430 1.00 10.00 H new ATOM 0 HD11 ILE A 81 7.403 5.717 2.183 1.00 10.00 H new ATOM 0 HD12 ILE A 81 9.152 5.726 1.851 1.00 10.00 H new ATOM 0 HD13 ILE A 81 8.253 7.260 1.930 1.00 10.00 H new ATOM 1283 N PHE A 82 8.686 8.751 -3.091 1.00 10.00 N ATOM 1284 CA PHE A 82 8.936 9.241 -4.430 1.00 10.00 C ATOM 1285 C PHE A 82 7.611 9.825 -4.913 1.00 10.00 C ATOM 1286 O PHE A 82 6.596 9.650 -4.237 1.00 10.00 O ATOM 1287 CB PHE A 82 9.499 8.104 -5.303 1.00 10.00 C ATOM 1288 CG PHE A 82 8.773 6.767 -5.222 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.497 6.632 -5.793 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.376 5.650 -4.608 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.825 5.399 -5.759 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.706 4.411 -4.578 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.430 4.284 -5.158 1.00 10.00 C ATOM 0 H PHE A 82 7.794 8.263 -3.007 1.00 10.00 H new ATOM 0 HA PHE A 82 9.695 10.022 -4.477 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.492 8.435 -6.342 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.541 7.945 -5.026 1.00 10.00 H new ATOM 0 HD1 PHE A 82 7.028 7.484 -6.263 1.00 10.00 H new ATOM 0 HD2 PHE A 82 10.354 5.744 -4.160 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.841 5.309 -6.196 1.00 10.00 H new ATOM 0 HE2 PHE A 82 9.172 3.557 -4.109 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.919 3.333 -5.141 1.00 10.00 H new ATOM 1303 N ALA A 83 7.621 10.551 -6.036 1.00 10.00 N ATOM 1304 CA ALA A 83 6.451 11.284 -6.512 1.00 10.00 C ATOM 1305 C ALA A 83 5.226 10.369 -6.585 1.00 10.00 C ATOM 1306 O ALA A 83 4.200 10.639 -5.963 1.00 10.00 O ATOM 1307 CB ALA A 83 6.759 11.919 -7.871 1.00 10.00 C ATOM 0 H ALA A 83 8.440 10.645 -6.637 1.00 10.00 H new ATOM 0 HA ALA A 83 6.216 12.079 -5.805 1.00 10.00 H new ATOM 0 HB1 ALA A 83 5.884 12.465 -8.224 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.599 12.606 -7.770 1.00 10.00 H new ATOM 0 HB3 ALA A 83 7.013 11.138 -8.588 1.00 10.00 H new ATOM 1313 N GLY A 84 5.378 9.268 -7.317 1.00 10.00 N ATOM 1314 CA GLY A 84 4.400 8.211 -7.445 1.00 10.00 C ATOM 1315 C GLY A 84 5.031 7.111 -8.286 1.00 10.00 C ATOM 1316 O GLY A 84 6.214 7.214 -8.610 1.00 10.00 O ATOM 0 H GLY A 84 6.225 9.088 -7.857 1.00 10.00 H new ATOM 0 HA2 GLY A 84 4.116 7.830 -6.464 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.491 8.583 -7.918 1.00 10.00 H new ATOM 1320 N ILE A 85 4.279 6.050 -8.594 1.00 10.00 N ATOM 1321 CA ILE A 85 4.781 4.893 -9.330 1.00 10.00 C ATOM 1322 C ILE A 85 5.421 5.323 -10.649 1.00 10.00 C ATOM 1323 O ILE A 85 6.645 5.419 -10.730 1.00 10.00 O ATOM 1324 CB ILE A 85 3.659 3.839 -9.469 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.553 3.057 -8.174 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.749 2.857 -10.653 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.756 2.156 -7.935 1.00 10.00 C ATOM 0 H ILE A 85 3.295 5.973 -8.335 1.00 10.00 H new ATOM 0 HA ILE A 85 5.585 4.409 -8.775 1.00 10.00 H new ATOM 0 HB ILE A 85 2.768 4.427 -9.688 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.453 3.753 -7.341 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.647 2.451 -8.193 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.898 2.176 -10.626 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.738 3.414 -11.590 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.674 2.285 -10.582 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.628 1.620 -6.995 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.842 1.440 -8.752 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.661 2.762 -7.887 1.00 10.00 H new ATOM 1339 N LYS A 86 4.601 5.534 -11.678 1.00 10.00 N ATOM 1340 CA LYS A 86 5.026 6.048 -12.977 1.00 10.00 C ATOM 1341 C LYS A 86 3.941 6.944 -13.572 1.00 10.00 C ATOM 1342 O LYS A 86 4.206 8.079 -13.956 1.00 10.00 O ATOM 1343 CB LYS A 86 5.356 4.908 -13.955 1.00 10.00 C ATOM 1344 CG LYS A 86 6.154 3.768 -13.318 1.00 10.00 C ATOM 1345 CD LYS A 86 6.881 2.958 -14.384 1.00 10.00 C ATOM 1346 CE LYS A 86 8.326 3.440 -14.551 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.993 2.757 -15.676 1.00 10.00 N ATOM 0 H LYS A 86 3.599 5.347 -11.629 1.00 10.00 H new ATOM 0 HA LYS A 86 5.933 6.632 -12.820 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.427 4.508 -14.361 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.922 5.312 -14.794 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.875 4.174 -12.608 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.484 3.119 -12.755 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.875 1.903 -14.111 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.353 3.044 -15.334 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.335 4.517 -14.720 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.881 3.257 -13.631 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.969 3.105 -15.763 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 9.005 1.732 -15.502 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.476 2.953 -16.557 1.00 10.00 H new ATOM 1361 N LYS A 87 2.731 6.392 -13.691 1.00 10.00 N ATOM 1362 CA LYS A 87 1.557 7.033 -14.251 1.00 10.00 C ATOM 1363 C LYS A 87 0.336 6.194 -13.858 1.00 10.00 C ATOM 1364 O LYS A 87 0.253 5.768 -12.710 1.00 10.00 O ATOM 1365 CB LYS A 87 1.744 7.265 -15.757 1.00 10.00 C ATOM 1366 CG LYS A 87 2.241 6.065 -16.578 1.00 10.00 C ATOM 1367 CD LYS A 87 2.589 6.495 -18.012 1.00 10.00 C ATOM 1368 CE LYS A 87 1.397 7.144 -18.735 1.00 10.00 C ATOM 1369 NZ LYS A 87 1.689 7.421 -20.157 1.00 10.00 N ATOM 0 H LYS A 87 2.543 5.438 -13.382 1.00 10.00 H new ATOM 0 HA LYS A 87 1.396 8.033 -13.847 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.791 7.592 -16.173 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.449 8.086 -15.891 1.00 10.00 H new ATOM 0 HG2 LYS A 87 3.119 5.630 -16.100 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.474 5.291 -16.601 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.421 7.198 -17.986 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.924 5.626 -18.578 1.00 10.00 H new ATOM 0 HE2 LYS A 87 0.530 6.486 -18.665 1.00 10.00 H new ATOM 0 HE3 LYS A 87 1.132 8.074 -18.232 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 0.857 7.858 -20.603 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 2.499 8.069 -20.225 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 1.916 6.531 -20.645 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.584 5.910 -14.788 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.790 5.139 -14.501 1.00 10.00 C ATOM 1385 C LYS A 88 -1.543 3.660 -14.798 1.00 10.00 C ATOM 1386 O LYS A 88 -1.946 2.802 -14.024 1.00 10.00 O ATOM 1387 CB LYS A 88 -3.030 5.714 -15.223 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.194 5.292 -16.692 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.391 5.950 -17.402 1.00 10.00 C ATOM 1390 CE LYS A 88 -5.768 5.431 -16.938 1.00 10.00 C ATOM 1391 NZ LYS A 88 -6.377 6.257 -15.875 1.00 10.00 N ATOM 0 H LYS A 88 -0.509 6.210 -15.760 1.00 10.00 H new ATOM 0 HA LYS A 88 -2.020 5.223 -13.439 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.922 5.411 -14.674 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.983 6.802 -15.179 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.282 5.540 -17.235 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.308 4.209 -16.738 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.348 7.027 -17.239 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -4.297 5.786 -18.475 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -6.443 5.397 -17.793 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -5.660 4.408 -16.577 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -7.041 5.677 -15.322 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -5.631 6.622 -15.249 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -6.889 7.054 -16.305 1.00 10.00 H new ATOM 1405 N THR A 89 -0.876 3.375 -15.921 1.00 10.00 N ATOM 1406 CA THR A 89 -0.687 2.039 -16.458 1.00 10.00 C ATOM 1407 C THR A 89 -0.058 1.146 -15.399 1.00 10.00 C ATOM 1408 O THR A 89 -0.730 0.302 -14.813 1.00 10.00 O ATOM 1409 CB THR A 89 0.161 2.172 -17.733 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.544 3.011 -18.629 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.493 0.825 -18.379 1.00 10.00 C ATOM 0 H THR A 89 -0.441 4.098 -16.495 1.00 10.00 H new ATOM 0 HA THR A 89 -1.631 1.565 -16.725 1.00 10.00 H new ATOM 0 HB THR A 89 1.126 2.606 -17.472 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.026 3.117 -19.454 1.00 10.00 H new ATOM 0 HG21 THR A 89 1.093 0.989 -19.274 1.00 10.00 H new ATOM 0 HG22 THR A 89 1.053 0.211 -17.674 1.00 10.00 H new ATOM 0 HG23 THR A 89 -0.431 0.314 -18.650 1.00 10.00 H new ATOM 1419 N GLU A 90 1.209 1.396 -15.087 1.00 10.00 N ATOM 1420 CA GLU A 90 1.919 0.630 -14.092 1.00 10.00 C ATOM 1421 C GLU A 90 1.206 0.603 -12.744 1.00 10.00 C ATOM 1422 O GLU A 90 1.111 -0.447 -12.118 1.00 10.00 O ATOM 1423 CB GLU A 90 3.291 1.265 -13.946 1.00 10.00 C ATOM 1424 CG GLU A 90 4.206 0.795 -15.091 1.00 10.00 C ATOM 1425 CD GLU A 90 4.240 1.761 -16.269 1.00 10.00 C ATOM 1426 OE1 GLU A 90 3.274 2.549 -16.401 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.270 1.727 -16.978 1.00 10.00 O ATOM 0 H GLU A 90 1.763 2.135 -15.520 1.00 10.00 H new ATOM 0 HA GLU A 90 1.982 -0.409 -14.416 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.203 2.351 -13.961 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.727 0.994 -12.985 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.218 0.664 -14.708 1.00 10.00 H new ATOM 0 HG3 GLU A 90 3.868 -0.181 -15.440 1.00 10.00 H new ATOM 1434 N ARG A 91 0.729 1.761 -12.281 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.018 1.877 -11.033 1.00 10.00 C ATOM 1436 C ARG A 91 -1.174 0.861 -11.024 1.00 10.00 C ATOM 1437 O ARG A 91 -1.442 0.216 -10.012 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.521 3.326 -10.924 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.270 3.680 -9.633 1.00 10.00 C ATOM 1440 CD ARG A 91 -1.633 5.180 -9.633 1.00 10.00 C ATOM 1441 NE ARG A 91 -3.045 5.467 -9.970 1.00 10.00 N ATOM 1442 CZ ARG A 91 -3.600 6.698 -9.883 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -2.832 7.784 -9.751 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -4.927 6.852 -9.933 1.00 10.00 N ATOM 0 H ARG A 91 0.853 2.649 -12.767 1.00 10.00 H new ATOM 0 HA ARG A 91 0.609 1.652 -10.170 1.00 10.00 H new ATOM 0 HB2 ARG A 91 0.334 3.995 -11.020 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -1.179 3.526 -11.770 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -2.175 3.078 -9.550 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.651 3.446 -8.767 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -1.416 5.594 -8.648 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -0.990 5.697 -10.345 1.00 10.00 H new ATOM 0 HE ARG A 91 -3.632 4.695 -10.285 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -1.817 7.690 -9.715 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -3.261 8.707 -9.686 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -5.531 6.037 -10.038 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -5.335 7.784 -9.866 1.00 10.00 H new ATOM 1458 N GLU A 92 -1.849 0.714 -12.165 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.026 -0.120 -12.326 1.00 10.00 C ATOM 1460 C GLU A 92 -2.631 -1.597 -12.462 1.00 10.00 C ATOM 1461 O GLU A 92 -3.221 -2.473 -11.824 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.821 0.435 -13.515 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.091 -0.364 -13.797 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.226 0.498 -14.346 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -5.925 1.548 -14.960 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -7.383 0.088 -14.123 1.00 10.00 O ATOM 0 H GLU A 92 -1.578 1.190 -13.025 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.669 -0.090 -11.446 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -4.086 1.474 -13.317 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.189 0.431 -14.403 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -4.865 -1.156 -14.511 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.421 -0.848 -12.878 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.599 -1.884 -13.257 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.989 -3.209 -13.324 1.00 10.00 C ATOM 1475 C ASP A 93 -0.630 -3.673 -11.906 1.00 10.00 C ATOM 1476 O ASP A 93 -0.881 -4.814 -11.524 1.00 10.00 O ATOM 1477 CB ASP A 93 0.251 -3.181 -14.232 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.052 -2.820 -15.681 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.155 -3.188 -16.145 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.832 -2.198 -16.308 1.00 10.00 O ATOM 0 H ASP A 93 -1.162 -1.200 -13.874 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.697 -3.917 -13.755 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.966 -2.463 -13.831 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.731 -4.159 -14.204 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.091 -2.761 -11.094 1.00 10.00 N ATOM 1486 CA LEU A 94 0.183 -3.007 -9.686 1.00 10.00 C ATOM 1487 C LEU A 94 -1.058 -3.553 -8.975 1.00 10.00 C ATOM 1488 O LEU A 94 -1.003 -4.647 -8.407 1.00 10.00 O ATOM 1489 CB LEU A 94 0.712 -1.732 -9.011 1.00 10.00 C ATOM 1490 CG LEU A 94 1.944 -2.025 -8.157 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.553 -0.712 -7.676 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.599 -2.886 -6.951 1.00 10.00 C ATOM 0 H LEU A 94 0.168 -1.824 -11.403 1.00 10.00 H new ATOM 0 HA LEU A 94 0.959 -3.768 -9.610 1.00 10.00 H new ATOM 0 HB2 LEU A 94 0.962 -0.992 -9.772 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -0.070 -1.297 -8.388 1.00 10.00 H new ATOM 0 HG LEU A 94 2.657 -2.572 -8.774 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.432 -0.920 -7.066 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.843 -0.109 -8.536 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.820 -0.167 -7.081 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.501 -3.073 -6.368 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.867 -2.368 -6.331 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.182 -3.835 -7.289 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.178 -2.813 -9.029 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.456 -3.279 -8.499 1.00 10.00 C ATOM 1506 C ILE A 95 -3.750 -4.689 -8.988 1.00 10.00 C ATOM 1507 O ILE A 95 -4.172 -5.518 -8.193 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.619 -2.309 -8.816 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.744 -1.260 -7.712 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.988 -3.010 -8.907 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.630 -0.225 -7.721 1.00 10.00 C ATOM 0 H ILE A 95 -2.216 -1.880 -9.441 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.371 -3.302 -7.413 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.375 -1.869 -9.783 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.702 -0.750 -7.815 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.753 -1.763 -6.745 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.760 -2.274 -9.132 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.961 -3.760 -9.698 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.213 -3.493 -7.956 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.787 0.485 -6.909 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.670 -0.723 -7.587 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.634 0.305 -8.673 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.552 -4.970 -10.274 1.00 10.00 N ATOM 1524 CA ALA A 96 -3.842 -6.292 -10.818 1.00 10.00 C ATOM 1525 C ALA A 96 -3.143 -7.409 -10.046 1.00 10.00 C ATOM 1526 O ALA A 96 -3.794 -8.358 -9.610 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.472 -6.364 -12.289 1.00 10.00 C ATOM 0 H ALA A 96 -3.193 -4.302 -10.956 1.00 10.00 H new ATOM 0 HA ALA A 96 -4.916 -6.444 -10.710 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.697 -7.359 -12.673 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.045 -5.622 -12.845 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.407 -6.162 -12.407 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.822 -7.309 -9.874 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.109 -8.293 -9.069 1.00 10.00 C ATOM 1535 C TYR A 97 -1.672 -8.327 -7.670 1.00 10.00 C ATOM 1536 O TYR A 97 -2.059 -9.389 -7.180 1.00 10.00 O ATOM 1537 CB TYR A 97 0.376 -7.977 -8.984 1.00 10.00 C ATOM 1538 CG TYR A 97 1.124 -8.839 -7.981 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.045 -10.243 -8.064 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.893 -8.245 -6.962 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.750 -11.044 -7.153 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.681 -9.050 -6.121 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.573 -10.450 -6.186 1.00 10.00 C ATOM 1544 OH TYR A 97 3.346 -11.248 -5.401 1.00 10.00 O ATOM 0 H TYR A 97 -1.239 -6.573 -10.273 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.237 -9.261 -9.554 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.824 -8.108 -9.969 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.501 -6.928 -8.714 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.440 -10.704 -8.831 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.878 -7.174 -6.827 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.659 -12.119 -7.197 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.369 -8.593 -5.425 1.00 10.00 H new ATOM 0 HH TYR A 97 3.862 -10.694 -4.779 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.681 -7.151 -7.043 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.202 -6.993 -5.703 1.00 10.00 C ATOM 1556 C LEU A 98 -3.525 -7.755 -5.568 1.00 10.00 C ATOM 1557 O LEU A 98 -3.673 -8.501 -4.611 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.284 -5.499 -5.317 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.316 -5.123 -4.183 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.260 -4.129 -4.644 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -2.027 -4.573 -2.949 1.00 10.00 C ATOM 0 H LEU A 98 -1.326 -6.288 -7.456 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.518 -7.436 -4.979 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -2.064 -4.889 -6.193 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.303 -5.263 -5.012 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.829 -6.056 -3.901 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.403 -3.890 -3.812 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.320 -4.566 -5.457 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.746 -3.218 -4.994 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.290 -4.326 -2.184 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.584 -3.676 -3.220 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.715 -5.324 -2.561 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.463 -7.647 -6.520 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.754 -8.327 -6.435 1.00 10.00 C ATOM 1575 C LYS A 99 -5.584 -9.810 -6.117 1.00 10.00 C ATOM 1576 O LYS A 99 -6.079 -10.268 -5.088 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.655 -8.067 -7.657 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.302 -6.673 -7.582 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.345 -6.423 -8.682 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.747 -6.778 -8.170 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.807 -6.400 -9.128 1.00 10.00 N ATOM 0 H LYS A 99 -4.345 -7.088 -7.365 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.290 -7.886 -5.594 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.066 -8.149 -8.571 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.432 -8.830 -7.709 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.776 -6.553 -6.608 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.522 -5.915 -7.652 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.316 -5.378 -8.991 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -8.108 -7.022 -9.561 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.800 -7.849 -7.977 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -9.923 -6.274 -7.220 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -11.736 -6.659 -8.738 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -10.775 -5.374 -9.294 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -10.657 -6.900 -10.027 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.860 -10.558 -6.949 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.646 -11.960 -6.688 1.00 10.00 C ATOM 1597 C LYS A 100 -3.827 -12.125 -5.401 1.00 10.00 C ATOM 1598 O LYS A 100 -4.168 -12.943 -4.554 1.00 10.00 O ATOM 1599 CB LYS A 100 -3.977 -12.586 -7.920 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.715 -14.073 -7.672 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.423 -15.023 -8.646 1.00 10.00 C ATOM 1602 CE LYS A 100 -3.718 -15.100 -10.007 1.00 10.00 C ATOM 1603 NZ LYS A 100 -4.257 -16.200 -10.834 1.00 10.00 N ATOM 0 H LYS A 100 -4.419 -10.210 -7.800 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.587 -12.484 -6.522 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.616 -12.461 -8.794 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.039 -12.074 -8.135 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.641 -14.252 -7.728 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.027 -14.318 -6.657 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.469 -16.020 -8.207 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.451 -14.690 -8.791 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -3.839 -14.154 -10.535 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -2.649 -15.247 -9.856 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -3.759 -16.224 -11.747 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -4.119 -17.105 -10.340 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -5.272 -16.046 -10.998 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.741 -11.363 -5.261 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.762 -11.566 -4.201 1.00 10.00 C ATOM 1619 C ALA A 101 -2.409 -11.454 -2.818 1.00 10.00 C ATOM 1620 O ALA A 101 -2.163 -12.258 -1.922 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.637 -10.543 -4.372 1.00 10.00 C ATOM 0 H ALA A 101 -2.518 -10.586 -5.883 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.351 -12.573 -4.274 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.104 -10.682 -3.585 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.164 -10.681 -5.344 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -1.048 -9.536 -4.308 1.00 10.00 H new ATOM 1627 N THR A 102 -3.242 -10.430 -2.655 1.00 10.00 N ATOM 1628 CA THR A 102 -3.920 -10.118 -1.413 1.00 10.00 C ATOM 1629 C THR A 102 -5.122 -11.023 -1.181 1.00 10.00 C ATOM 1630 O THR A 102 -5.377 -11.406 -0.042 1.00 10.00 O ATOM 1631 CB THR A 102 -4.309 -8.638 -1.407 1.00 10.00 C ATOM 1632 OG1 THR A 102 -5.217 -8.332 -2.434 1.00 10.00 O ATOM 1633 CG2 THR A 102 -3.039 -7.789 -1.525 1.00 10.00 C ATOM 0 H THR A 102 -3.466 -9.780 -3.408 1.00 10.00 H new ATOM 0 HA THR A 102 -3.238 -10.304 -0.583 1.00 10.00 H new ATOM 0 HB THR A 102 -4.814 -8.412 -0.468 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.724 -8.112 -3.252 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.306 -6.732 -1.522 1.00 10.00 H new ATOM 0 HG22 THR A 102 -2.381 -8.000 -0.682 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.525 -8.030 -2.456 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.860 -11.348 -2.246 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.959 -12.302 -2.179 1.00 10.00 C ATOM 1643 C ASN A 103 -6.455 -13.665 -1.700 1.00 10.00 C ATOM 1644 O ASN A 103 -7.089 -14.296 -0.858 1.00 10.00 O ATOM 1645 CB ASN A 103 -7.598 -12.399 -3.567 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.816 -13.312 -3.625 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -9.534 -13.488 -2.648 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.112 -13.832 -4.814 1.00 10.00 N ATOM 0 H ASN A 103 -5.709 -10.955 -3.175 1.00 10.00 H new ATOM 0 HA ASN A 103 -7.707 -11.966 -1.461 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.889 -11.400 -3.892 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.852 -12.760 -4.275 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.956 -14.394 -4.929 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -8.495 -13.669 -5.610 1.00 10.00 H new ATOM 1655 N GLU A 104 -5.298 -14.070 -2.232 1.00 10.00 N ATOM 1656 CA GLU A 104 -4.760 -15.418 -2.185 1.00 10.00 C ATOM 1657 C GLU A 104 -5.551 -16.315 -3.158 1.00 10.00 C ATOM 1658 O GLU A 104 -5.100 -17.457 -3.394 1.00 10.00 O ATOM 1659 CB GLU A 104 -4.663 -15.941 -0.739 1.00 10.00 C ATOM 1660 CG GLU A 104 -3.480 -16.909 -0.569 1.00 10.00 C ATOM 1661 CD GLU A 104 -3.516 -17.695 0.733 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -4.560 -18.300 1.052 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -2.450 -17.753 1.382 1.00 10.00 O ATOM 1664 OXT GLU A 104 -6.561 -15.824 -3.717 1.00 10.00 O ATOM 0 H GLU A 104 -4.685 -13.426 -2.732 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.727 -15.427 -2.531 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -4.549 -15.101 -0.054 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -5.590 -16.447 -0.471 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -3.471 -17.608 -1.405 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -2.549 -16.343 -0.616 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.844 5.134 0.493 1.00 10.00 N HETATM 1673 C2 IMD A 105 4.081 3.817 0.348 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.410 3.102 1.264 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.702 4.040 2.023 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.970 5.294 1.545 1.00 10.00 C HETATM 0 HN1 IMD A 105 4.242 5.881 -0.076 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.570 6.235 1.923 1.00 10.00 H new HETATM 0 H4 IMD A 105 2.043 3.809 2.860 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.732 3.388 -0.413 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.457 1.148 1.523 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.961 1.558 3.804 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.134 0.307 -0.857 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.941 0.983 -0.838 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.782 1.365 4.003 1.00 10.00 C HETATM 1686 NA HEC A 110 1.449 1.014 1.467 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.625 1.233 2.520 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.740 1.081 2.081 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.699 0.691 0.765 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.697 0.661 0.392 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.880 0.387 -0.139 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.966 1.332 2.929 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.379 0.189 3.878 1.00 10.00 C HETATM 1694 CGA HEC A 110 -1.237 -0.759 4.262 1.00 10.00 C HETATM 1695 O1A HEC A 110 -0.638 -0.533 5.337 1.00 10.00 O HETATM 1696 O2A HEC A 110 -0.946 -1.658 3.445 1.00 10.00 O HETATM 1697 NB HEC A 110 3.525 0.751 -0.457 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.459 0.373 -1.212 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.941 -0.018 -2.514 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.286 0.276 -2.556 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.649 0.716 -1.225 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.123 -0.721 -3.578 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.217 0.075 -3.743 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.681 0.703 -5.043 1.00 10.00 C HETATM 1705 NC HEC A 110 5.468 1.264 1.557 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.289 1.178 0.478 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.657 1.263 0.930 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.618 1.246 2.307 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.220 1.319 2.689 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.888 1.280 0.044 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.750 0.921 3.267 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.181 1.319 2.880 1.00 10.00 C HETATM 1713 ND HEC A 110 3.383 1.430 3.525 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.454 1.458 4.347 1.00 10.00 C HETATM 1715 C2D HEC A 110 3.973 1.646 5.701 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.605 1.759 5.630 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.245 1.567 4.249 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.802 1.800 6.957 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.650 2.112 6.753 1.00 10.00 C HETATM 1720 CBD HEC A 110 0.921 3.452 6.509 1.00 10.00 C HETATM 1721 CGD HEC A 110 0.800 4.373 7.732 1.00 10.00 C HETATM 1722 O1D HEC A 110 1.631 4.241 8.662 1.00 10.00 O HETATM 1723 O2D HEC A 110 -0.094 5.247 7.697 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.417 0.911 7.098 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.445 2.675 6.863 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.142 1.925 7.815 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.926 0.363 -0.544 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.842 2.139 -0.626 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.782 1.351 0.664 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.768 -1.677 -3.192 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.269 -0.100 -3.850 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.742 -0.893 -4.459 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.460 -0.433 0.284 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.511 1.272 -0.223 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.518 0.104 -1.127 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 1.445 3.992 5.720 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 -0.081 3.238 6.137 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.457 0.824 1.949 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 10.234 2.399 2.746 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.869 1.017 3.670 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.721 0.252 -5.296 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.552 1.776 -4.902 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.390 0.526 -5.852 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.797 0.621 4.787 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -3.173 -0.390 3.406 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.914 1.316 6.863 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.202 2.168 7.691 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -1.793 2.228 3.525 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.804 1.547 2.266 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.524 1.326 4.800 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.717 1.042 -1.601 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.407 -0.038 -1.592 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.165 1.821 4.501 1.00 10.00 H new HETATM 0 H2D HEC A 110 -0.250 5.519 6.768 1.00 10.00 H new HETATM 0 H2A HEC A 110 -0.751 -2.488 3.928 1.00 10.00 H new