USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 67 TYR OH : rot -124:sc= 1.26 USER MOD Set 1.2: A 78 THR OG1 : rot -70:sc= 1.25 USER MOD Set 2.1: A 58 THR OG1 : rot -160:sc= 1.05 USER MOD Set 2.2: A 60 LYS NZ :NH3+ -172:sc= 1.25 (180deg=-0.00406) USER MOD Set 3.1: A 55 LYS NZ :NH3+ 166:sc= 3 (180deg=1.39) USER MOD Set 3.2: A 74 TYR OH : rot 30:sc= 0.748 USER MOD Set 4.1: A 49 THR OG1 : rot 120:sc= 0.863 USER MOD Set 4.2: A 105 HEC O2D : rot -111:sc= 1.17 USER MOD Set 5.1: A 48 TYR OH : rot 120:sc= -0.842 USER MOD Set 5.2: A 105 HEC O2A : rot 166:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -166:sc= -0.789 (180deg=-1.19) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= 1.15 (180deg=0.606) 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) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0.493 (180deg=0.377) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 19 THR OG1 : rot 70:sc= 0.857 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.767 X(o=-0.77,f=-0.63) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.03 USER MOD Single : A 31 ASN : amide:sc= -0.878 K(o=-0.88,f=-4!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -111:sc= 1.7 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 120:sc= 0.245 USER MOD Single : A 52 ASN : amide:sc= -0.787 K(o=-0.79,f=-2.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.78) USER MOD Single : A 63 THR OG1 : rot 18:sc= 0.808 USER MOD Single : A 65 MET CE :methyl -169:sc= 0 (180deg=-0.117) USER MOD Single : A 70 ASN : amide:sc= -0.899 K(o=-0.9,f=-3.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 177:sc= 1.04 (180deg=0.971) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0492) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.307 (180deg=-0.307) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= 0.773 (180deg=0.272) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0482 USER MOD Single : A 97 TYR OH : rot -167:sc= 0.0147 USER MOD Single : A 99 LYS NZ :NH3+ -151:sc= 1.3 (180deg=-2.23!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 102 THR OG1 : rot 79:sc= 1.12 USER MOD Single : A 103 ASN : amide:sc= -0.125 K(o=-0.12,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.677 10.258 5.534 1.00 0.00 N ATOM 2 CA GLY A 1 -10.590 10.788 6.338 1.00 0.00 C ATOM 3 C GLY A 1 -10.183 12.067 5.637 1.00 0.00 C ATOM 4 O GLY A 1 -11.088 12.744 5.153 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.171 9.513 6.066 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.345 11.022 5.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.295 9.859 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.912 10.982 7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.759 10.085 6.394 1.00 0.00 H new ATOM 10 N ASP A 2 -8.888 12.358 5.532 1.00 0.00 N ATOM 11 CA ASP A 2 -8.423 13.655 5.075 1.00 0.00 C ATOM 12 C ASP A 2 -7.286 13.460 4.083 1.00 0.00 C ATOM 13 O ASP A 2 -7.526 13.283 2.895 1.00 0.00 O ATOM 14 CB ASP A 2 -8.007 14.488 6.297 1.00 0.00 C ATOM 15 CG ASP A 2 -9.206 14.895 7.139 1.00 0.00 C ATOM 16 OD1 ASP A 2 -9.785 15.955 6.828 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.499 14.132 8.086 1.00 0.00 O ATOM 0 H ASP A 2 -8.140 11.703 5.761 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.213 14.198 4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.312 13.913 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.477 15.380 5.965 1.00 0.00 H new ATOM 22 N VAL A 3 -6.053 13.501 4.590 1.00 0.00 N ATOM 23 CA VAL A 3 -4.800 13.396 3.869 1.00 0.00 C ATOM 24 C VAL A 3 -3.671 13.368 4.905 1.00 0.00 C ATOM 25 O VAL A 3 -2.913 12.402 5.004 1.00 0.00 O ATOM 26 CB VAL A 3 -4.711 14.536 2.834 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.933 15.961 3.363 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.386 14.495 2.085 1.00 0.00 C ATOM 0 H VAL A 3 -5.902 13.618 5.592 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.719 12.478 3.287 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.554 14.332 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.845 16.672 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.928 16.035 3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.184 16.189 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.351 15.310 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.564 14.603 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.293 13.543 1.563 1.00 0.00 H new ATOM 38 N GLU A 4 -3.630 14.397 5.750 1.00 0.00 N ATOM 39 CA GLU A 4 -2.665 14.509 6.830 1.00 0.00 C ATOM 40 C GLU A 4 -2.936 13.456 7.898 1.00 0.00 C ATOM 41 O GLU A 4 -2.024 12.781 8.372 1.00 0.00 O ATOM 42 CB GLU A 4 -2.734 15.919 7.424 1.00 0.00 C ATOM 43 CG GLU A 4 -2.215 16.995 6.455 1.00 0.00 C ATOM 44 CD GLU A 4 -0.852 16.652 5.867 1.00 0.00 C ATOM 45 OE1 GLU A 4 0.113 16.556 6.649 1.00 0.00 O ATOM 46 OE2 GLU A 4 -0.792 16.446 4.634 1.00 0.00 O ATOM 0 H GLU A 4 -4.277 15.184 5.699 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.662 14.336 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.765 16.145 7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.150 15.951 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.933 17.125 5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.150 17.949 6.979 1.00 0.00 H new ATOM 53 N LYS A 5 -4.208 13.287 8.259 1.00 0.00 N ATOM 54 CA LYS A 5 -4.587 12.166 9.104 1.00 0.00 C ATOM 55 C LYS A 5 -4.098 10.865 8.465 1.00 0.00 C ATOM 56 O LYS A 5 -3.442 10.072 9.133 1.00 0.00 O ATOM 57 CB LYS A 5 -6.094 12.131 9.382 1.00 0.00 C ATOM 58 CG LYS A 5 -6.566 13.385 10.133 1.00 0.00 C ATOM 59 CD LYS A 5 -7.679 13.052 11.138 1.00 0.00 C ATOM 60 CE LYS A 5 -7.098 12.479 12.444 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.154 12.057 13.387 1.00 0.00 N ATOM 0 H LYS A 5 -4.975 13.900 7.984 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.108 12.288 10.076 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.635 12.047 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.335 11.244 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.723 13.835 10.657 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.928 14.124 9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.255 13.951 11.357 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.367 12.332 10.696 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.459 11.627 12.212 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.468 13.230 12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.717 11.678 14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.749 12.874 13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.741 11.321 12.945 1.00 0.00 H new ATOM 75 N GLY A 6 -4.326 10.699 7.157 1.00 0.00 N ATOM 76 CA GLY A 6 -3.878 9.516 6.435 1.00 0.00 C ATOM 77 C GLY A 6 -2.404 9.235 6.705 1.00 0.00 C ATOM 78 O GLY A 6 -2.055 8.134 7.131 1.00 0.00 O ATOM 0 H GLY A 6 -4.822 11.377 6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.476 8.655 6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.035 9.657 5.366 1.00 0.00 H new ATOM 82 N LYS A 7 -1.534 10.230 6.492 1.00 0.00 N ATOM 83 CA LYS A 7 -0.102 10.013 6.665 1.00 0.00 C ATOM 84 C LYS A 7 0.267 9.669 8.106 1.00 0.00 C ATOM 85 O LYS A 7 1.179 8.875 8.337 1.00 0.00 O ATOM 86 CB LYS A 7 0.750 11.083 5.965 1.00 0.00 C ATOM 87 CG LYS A 7 0.949 12.340 6.790 1.00 0.00 C ATOM 88 CD LYS A 7 1.543 13.503 5.973 1.00 0.00 C ATOM 89 CE LYS A 7 3.045 13.320 5.693 1.00 0.00 C ATOM 90 NZ LYS A 7 3.591 14.384 4.824 1.00 0.00 N ATOM 0 H LYS A 7 -1.794 11.174 6.205 1.00 0.00 H new ATOM 0 HA LYS A 7 0.169 9.106 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.725 10.659 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.277 11.350 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.008 12.649 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.608 12.118 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.008 13.589 5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.388 14.438 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.589 13.311 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.208 12.351 5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.567 14.600 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.584 14.062 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.007 15.240 4.914 1.00 0.00 H new ATOM 104 N LYS A 8 -0.478 10.203 9.076 1.00 0.00 N ATOM 105 CA LYS A 8 -0.232 9.915 10.477 1.00 0.00 C ATOM 106 C LYS A 8 -0.591 8.465 10.780 1.00 0.00 C ATOM 107 O LYS A 8 0.226 7.724 11.327 1.00 0.00 O ATOM 108 CB LYS A 8 -1.035 10.875 11.373 1.00 0.00 C ATOM 109 CG LYS A 8 -0.242 12.138 11.732 1.00 0.00 C ATOM 110 CD LYS A 8 0.469 12.012 13.092 1.00 0.00 C ATOM 111 CE LYS A 8 1.464 10.841 13.149 1.00 0.00 C ATOM 112 NZ LYS A 8 2.159 10.756 14.450 1.00 0.00 N ATOM 0 H LYS A 8 -1.258 10.839 8.909 1.00 0.00 H new ATOM 0 HA LYS A 8 0.827 10.063 10.688 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.956 11.159 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.324 10.358 12.288 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.497 12.334 10.955 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.916 12.994 11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.998 12.941 13.305 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.278 11.884 13.875 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.933 9.907 12.962 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.200 10.954 12.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.818 9.952 14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.688 11.635 14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.460 10.621 15.209 1.00 0.00 H new ATOM 126 N ILE A 9 -1.823 8.074 10.459 1.00 0.00 N ATOM 127 CA ILE A 9 -2.355 6.779 10.826 1.00 0.00 C ATOM 128 C ILE A 9 -1.558 5.722 10.072 1.00 0.00 C ATOM 129 O ILE A 9 -1.139 4.731 10.664 1.00 0.00 O ATOM 130 CB ILE A 9 -3.866 6.759 10.532 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.688 7.377 11.682 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.394 5.333 10.352 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.730 8.903 11.673 1.00 0.00 C ATOM 0 H ILE A 9 -2.477 8.655 9.935 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.252 6.566 11.890 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.982 7.338 9.616 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.708 6.997 11.629 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.271 7.042 12.632 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.464 5.364 10.146 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.878 4.857 9.518 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.216 4.762 11.263 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.328 9.255 12.514 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.717 9.295 11.758 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.176 9.249 10.740 1.00 0.00 H new ATOM 145 N PHE A 10 -1.315 5.951 8.777 1.00 0.00 N ATOM 146 CA PHE A 10 -0.420 5.133 7.980 1.00 0.00 C ATOM 147 C PHE A 10 0.881 4.901 8.736 1.00 0.00 C ATOM 148 O PHE A 10 1.165 3.776 9.129 1.00 0.00 O ATOM 149 CB PHE A 10 -0.154 5.838 6.639 1.00 0.00 C ATOM 150 CG PHE A 10 1.000 5.286 5.825 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.811 4.198 4.968 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.303 5.754 6.049 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.920 3.546 4.410 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.415 5.089 5.530 1.00 0.00 C ATOM 155 CZ PHE A 10 3.220 3.989 4.686 1.00 0.00 C ATOM 0 H PHE A 10 -1.742 6.718 8.257 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.878 4.163 7.786 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.060 5.784 6.035 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.036 6.893 6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.188 3.860 4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.449 6.649 6.636 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.771 2.695 3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.413 5.419 5.776 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.069 3.484 4.249 1.00 0.00 H new ATOM 165 N VAL A 11 1.667 5.952 8.973 1.00 0.00 N ATOM 166 CA VAL A 11 2.961 5.789 9.600 1.00 0.00 C ATOM 167 C VAL A 11 2.804 5.011 10.916 1.00 0.00 C ATOM 168 O VAL A 11 3.598 4.121 11.207 1.00 0.00 O ATOM 169 CB VAL A 11 3.651 7.161 9.748 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.714 7.131 10.841 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.311 7.663 8.454 1.00 0.00 C ATOM 0 H VAL A 11 1.425 6.915 8.739 1.00 0.00 H new ATOM 0 HA VAL A 11 3.623 5.191 8.974 1.00 0.00 H new ATOM 0 HB VAL A 11 2.848 7.850 10.010 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.182 8.112 10.921 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.250 6.872 11.793 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.471 6.387 10.592 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.775 8.632 8.635 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.071 6.951 8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.555 7.763 7.675 1.00 0.00 H new ATOM 181 N GLN A 12 1.748 5.306 11.682 1.00 0.00 N ATOM 182 CA GLN A 12 1.459 4.623 12.934 1.00 0.00 C ATOM 183 C GLN A 12 1.352 3.093 12.793 1.00 0.00 C ATOM 184 O GLN A 12 1.687 2.395 13.749 1.00 0.00 O ATOM 185 CB GLN A 12 0.201 5.231 13.573 1.00 0.00 C ATOM 186 CG GLN A 12 0.163 5.039 15.091 1.00 0.00 C ATOM 187 CD GLN A 12 -1.118 5.631 15.667 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.184 6.822 15.953 1.00 0.00 O ATOM 189 NE2 GLN A 12 -2.151 4.811 15.833 1.00 0.00 N ATOM 0 H GLN A 12 1.070 6.030 11.444 1.00 0.00 H new ATOM 0 HA GLN A 12 2.310 4.781 13.596 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.159 6.296 13.344 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.684 4.775 13.130 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.221 3.978 15.332 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.030 5.517 15.547 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.065 3.825 15.586 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.030 5.168 16.208 1.00 0.00 H new ATOM 198 N LYS A 13 0.859 2.556 11.664 1.00 0.00 N ATOM 199 CA LYS A 13 0.663 1.109 11.506 1.00 0.00 C ATOM 200 C LYS A 13 0.902 0.571 10.083 1.00 0.00 C ATOM 201 O LYS A 13 0.325 -0.442 9.686 1.00 0.00 O ATOM 202 CB LYS A 13 -0.682 0.670 12.116 1.00 0.00 C ATOM 203 CG LYS A 13 -1.802 1.712 12.138 1.00 0.00 C ATOM 204 CD LYS A 13 -2.302 2.056 10.736 1.00 0.00 C ATOM 205 CE LYS A 13 -3.056 0.895 10.086 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.983 1.392 9.055 1.00 0.00 N ATOM 0 H LYS A 13 0.589 3.105 10.848 1.00 0.00 H new ATOM 0 HA LYS A 13 1.458 0.631 12.078 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.038 -0.200 11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.500 0.345 13.140 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.633 1.337 12.736 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.443 2.618 12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.956 2.926 10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.455 2.332 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.347 0.198 9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.610 0.343 10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.398 0.587 8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.741 1.943 9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.466 1.997 8.386 1.00 0.00 H new ATOM 220 N CYS A 14 1.783 1.221 9.323 1.00 0.00 N ATOM 221 CA CYS A 14 2.205 0.792 7.994 1.00 0.00 C ATOM 222 C CYS A 14 3.720 0.992 7.853 1.00 0.00 C ATOM 223 O CYS A 14 4.414 0.095 7.380 1.00 0.00 O ATOM 224 CB CYS A 14 1.494 1.557 6.903 1.00 0.00 C ATOM 225 SG CYS A 14 -0.329 1.605 6.947 1.00 0.00 S ATOM 0 H CYS A 14 2.234 2.084 9.625 1.00 0.00 H new ATOM 0 HA CYS A 14 1.948 -0.262 7.885 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.857 2.585 6.924 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.795 1.132 5.945 1.00 0.00 H new ATOM 230 N ALA A 15 4.249 2.151 8.272 1.00 0.00 N ATOM 231 CA ALA A 15 5.667 2.502 8.124 1.00 0.00 C ATOM 232 C ALA A 15 6.629 1.471 8.696 1.00 0.00 C ATOM 233 O ALA A 15 7.733 1.320 8.177 1.00 0.00 O ATOM 234 CB ALA A 15 5.977 3.855 8.742 1.00 0.00 C ATOM 0 H ALA A 15 3.697 2.878 8.728 1.00 0.00 H new ATOM 0 HA ALA A 15 5.825 2.534 7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.036 4.080 8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.380 4.624 8.252 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.738 3.833 9.805 1.00 0.00 H new ATOM 240 N GLN A 16 6.214 0.763 9.749 1.00 0.00 N ATOM 241 CA GLN A 16 6.924 -0.386 10.289 1.00 0.00 C ATOM 242 C GLN A 16 7.495 -1.283 9.179 1.00 0.00 C ATOM 243 O GLN A 16 8.606 -1.793 9.309 1.00 0.00 O ATOM 244 CB GLN A 16 5.984 -1.143 11.239 1.00 0.00 C ATOM 245 CG GLN A 16 4.714 -1.683 10.561 1.00 0.00 C ATOM 246 CD GLN A 16 3.750 -2.287 11.574 1.00 0.00 C ATOM 247 OE1 GLN A 16 2.693 -1.727 11.842 1.00 0.00 O ATOM 248 NE2 GLN A 16 4.101 -3.435 12.145 1.00 0.00 N ATOM 0 H GLN A 16 5.357 0.982 10.257 1.00 0.00 H new ATOM 0 HA GLN A 16 7.791 -0.045 10.854 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.528 -1.976 11.685 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.695 -0.479 12.053 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.218 -0.876 10.022 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.988 -2.438 9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.988 -3.876 11.901 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.484 -3.875 12.828 1.00 0.00 H new ATOM 257 N CYS A 17 6.729 -1.450 8.096 1.00 0.00 N ATOM 258 CA CYS A 17 7.100 -2.183 6.900 1.00 0.00 C ATOM 259 C CYS A 17 7.385 -1.232 5.719 1.00 0.00 C ATOM 260 O CYS A 17 8.197 -1.572 4.862 1.00 0.00 O ATOM 261 CB CYS A 17 6.000 -3.163 6.572 1.00 0.00 C ATOM 262 SG CYS A 17 5.782 -4.420 7.878 1.00 0.00 S ATOM 0 H CYS A 17 5.790 -1.056 8.035 1.00 0.00 H new ATOM 0 HA CYS A 17 8.025 -2.729 7.083 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.064 -2.622 6.431 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.227 -3.658 5.628 1.00 0.00 H new ATOM 267 N HIS A 18 6.727 -0.062 5.640 1.00 0.00 N ATOM 268 CA HIS A 18 6.719 0.799 4.454 1.00 0.00 C ATOM 269 C HIS A 18 7.180 2.225 4.749 1.00 0.00 C ATOM 270 O HIS A 18 6.346 3.119 4.872 1.00 0.00 O ATOM 271 CB HIS A 18 5.287 0.893 3.922 1.00 0.00 C ATOM 272 CG HIS A 18 4.786 -0.367 3.307 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.964 -0.706 1.993 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.805 -1.160 3.827 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.111 -1.699 1.725 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.405 -2.041 2.810 1.00 0.00 N ATOM 0 H HIS A 18 6.178 0.314 6.413 1.00 0.00 H new ATOM 0 HA HIS A 18 7.407 0.352 3.737 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.624 1.175 4.740 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.237 1.692 3.182 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.623 -0.281 1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.411 -1.118 4.832 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.005 -2.166 0.757 1.00 0.00 H new ATOM 284 N THR A 19 8.478 2.508 4.792 1.00 0.00 N ATOM 285 CA THR A 19 8.922 3.855 5.127 1.00 0.00 C ATOM 286 C THR A 19 8.849 4.815 3.923 1.00 0.00 C ATOM 287 O THR A 19 9.859 5.399 3.530 1.00 0.00 O ATOM 288 CB THR A 19 10.317 3.775 5.752 1.00 0.00 C ATOM 289 OG1 THR A 19 11.239 3.212 4.838 1.00 0.00 O ATOM 290 CG2 THR A 19 10.316 2.918 7.023 1.00 0.00 C ATOM 0 H THR A 19 9.225 1.840 4.604 1.00 0.00 H new ATOM 0 HA THR A 19 8.241 4.286 5.861 1.00 0.00 H new ATOM 0 HB THR A 19 10.610 4.794 6.005 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.405 3.846 4.109 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.323 2.884 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.635 3.353 7.755 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.989 1.907 6.780 1.00 0.00 H new ATOM 298 N VAL A 20 7.663 5.004 3.328 1.00 0.00 N ATOM 299 CA VAL A 20 7.437 5.932 2.236 1.00 0.00 C ATOM 300 C VAL A 20 7.423 7.379 2.751 1.00 0.00 C ATOM 301 O VAL A 20 6.390 8.048 2.781 1.00 0.00 O ATOM 302 CB VAL A 20 6.186 5.509 1.449 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.862 5.714 2.195 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.171 6.235 0.103 1.00 0.00 C ATOM 0 H VAL A 20 6.822 4.499 3.607 1.00 0.00 H new ATOM 0 HA VAL A 20 8.262 5.898 1.524 1.00 0.00 H new ATOM 0 HB VAL A 20 6.259 4.431 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.035 5.389 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.868 5.129 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.740 6.770 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.286 5.939 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.151 7.312 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.065 5.972 -0.462 1.00 0.00 H new ATOM 314 N GLU A 21 8.603 7.863 3.136 1.00 0.00 N ATOM 315 CA GLU A 21 8.859 9.239 3.525 1.00 0.00 C ATOM 316 C GLU A 21 10.348 9.517 3.291 1.00 0.00 C ATOM 317 O GLU A 21 10.964 10.333 3.970 1.00 0.00 O ATOM 318 CB GLU A 21 8.385 9.467 4.970 1.00 0.00 C ATOM 319 CG GLU A 21 8.936 8.445 5.977 1.00 0.00 C ATOM 320 CD GLU A 21 8.208 8.556 7.311 1.00 0.00 C ATOM 321 OE1 GLU A 21 8.175 9.683 7.849 1.00 0.00 O ATOM 322 OE2 GLU A 21 7.674 7.517 7.752 1.00 0.00 O ATOM 0 H GLU A 21 9.438 7.279 3.186 1.00 0.00 H new ATOM 0 HA GLU A 21 8.296 9.953 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.681 10.468 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.296 9.434 4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.823 7.437 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.003 8.611 6.125 1.00 0.00 H new ATOM 329 N LYS A 22 10.908 8.831 2.282 1.00 0.00 N ATOM 330 CA LYS A 22 12.324 8.797 1.963 1.00 0.00 C ATOM 331 C LYS A 22 13.143 8.187 3.114 1.00 0.00 C ATOM 332 O LYS A 22 12.594 7.597 4.042 1.00 0.00 O ATOM 333 CB LYS A 22 12.792 10.186 1.503 1.00 0.00 C ATOM 334 CG LYS A 22 11.827 10.762 0.450 1.00 0.00 C ATOM 335 CD LYS A 22 12.382 12.001 -0.271 1.00 0.00 C ATOM 336 CE LYS A 22 13.374 11.624 -1.384 1.00 0.00 C ATOM 337 NZ LYS A 22 13.897 12.814 -2.090 1.00 0.00 N ATOM 0 H LYS A 22 10.351 8.263 1.644 1.00 0.00 H new ATOM 0 HA LYS A 22 12.498 8.128 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.848 10.859 2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.796 10.117 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.603 9.991 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.886 11.023 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.557 12.571 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.877 12.649 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.205 11.064 -0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.882 10.966 -2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.562 12.514 -2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.108 13.336 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.390 13.431 -1.413 1.00 0.00 H new ATOM 351 N GLY A 23 14.472 8.252 3.020 1.00 0.00 N ATOM 352 CA GLY A 23 15.363 7.695 4.029 1.00 0.00 C ATOM 353 C GLY A 23 15.658 6.224 3.751 1.00 0.00 C ATOM 354 O GLY A 23 16.810 5.865 3.511 1.00 0.00 O ATOM 0 H GLY A 23 14.958 8.694 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.296 8.259 4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.910 7.798 5.015 1.00 0.00 H new ATOM 358 N GLY A 24 14.630 5.371 3.758 1.00 0.00 N ATOM 359 CA GLY A 24 14.754 3.944 3.550 1.00 0.00 C ATOM 360 C GLY A 24 13.591 3.473 2.690 1.00 0.00 C ATOM 361 O GLY A 24 12.554 4.131 2.614 1.00 0.00 O ATOM 0 H GLY A 24 13.668 5.672 3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.702 3.714 3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.753 3.421 4.506 1.00 0.00 H new ATOM 365 N LYS A 25 13.801 2.345 2.021 1.00 0.00 N ATOM 366 CA LYS A 25 12.843 1.661 1.182 1.00 0.00 C ATOM 367 C LYS A 25 12.941 0.156 1.404 1.00 0.00 C ATOM 368 O LYS A 25 13.921 -0.313 1.982 1.00 0.00 O ATOM 369 CB LYS A 25 13.128 2.003 -0.285 1.00 0.00 C ATOM 370 CG LYS A 25 14.560 1.687 -0.748 1.00 0.00 C ATOM 371 CD LYS A 25 15.375 2.973 -0.930 1.00 0.00 C ATOM 372 CE LYS A 25 16.867 2.640 -1.072 1.00 0.00 C ATOM 373 NZ LYS A 25 17.675 3.830 -1.410 1.00 0.00 N ATOM 0 H LYS A 25 14.698 1.861 2.056 1.00 0.00 H new ATOM 0 HA LYS A 25 11.833 1.983 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.427 1.456 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.935 3.064 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.049 1.043 -0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.529 1.136 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.029 3.509 -1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.222 3.633 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.231 2.208 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.997 1.883 -1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.675 3.558 -1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.346 4.228 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.574 4.543 -0.660 1.00 0.00 H new ATOM 387 N HIS A 26 11.957 -0.577 0.874 1.00 0.00 N ATOM 388 CA HIS A 26 11.839 -2.014 0.934 1.00 0.00 C ATOM 389 C HIS A 26 11.747 -2.429 2.404 1.00 0.00 C ATOM 390 O HIS A 26 11.408 -1.626 3.268 1.00 0.00 O ATOM 391 CB HIS A 26 13.022 -2.638 0.195 1.00 0.00 C ATOM 392 CG HIS A 26 13.361 -2.040 -1.149 1.00 0.00 C ATOM 393 ND1 HIS A 26 14.612 -2.064 -1.725 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.493 -1.499 -2.061 1.00 0.00 C ATOM 395 CE1 HIS A 26 14.499 -1.541 -2.957 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.230 -1.181 -3.206 1.00 0.00 N ATOM 0 H HIS A 26 11.184 -0.147 0.366 1.00 0.00 H new ATOM 0 HA HIS A 26 10.936 -2.373 0.440 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.902 -2.565 0.834 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.817 -3.699 0.055 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.433 -1.346 -1.921 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.317 -1.426 -3.652 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.873 -0.758 -4.063 1.00 0.00 H new ATOM 404 N LYS A 27 12.107 -3.684 2.667 1.00 0.00 N ATOM 405 CA LYS A 27 12.326 -4.240 3.994 1.00 0.00 C ATOM 406 C LYS A 27 10.993 -4.695 4.579 1.00 0.00 C ATOM 407 O LYS A 27 10.503 -4.153 5.566 1.00 0.00 O ATOM 408 CB LYS A 27 13.126 -3.274 4.890 1.00 0.00 C ATOM 409 CG LYS A 27 13.776 -4.011 6.073 1.00 0.00 C ATOM 410 CD LYS A 27 14.896 -3.181 6.720 1.00 0.00 C ATOM 411 CE LYS A 27 14.401 -1.963 7.515 1.00 0.00 C ATOM 412 NZ LYS A 27 13.717 -2.346 8.768 1.00 0.00 N ATOM 0 H LYS A 27 12.260 -4.368 1.926 1.00 0.00 H new ATOM 0 HA LYS A 27 12.957 -5.126 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.898 -2.782 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.465 -2.493 5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.016 -4.240 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.182 -4.963 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.472 -3.825 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.576 -2.839 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.247 -1.318 7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.719 -1.381 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.402 -1.490 9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.893 -2.940 8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.374 -2.878 9.374 1.00 0.00 H new ATOM 426 N THR A 28 10.430 -5.718 3.927 1.00 0.00 N ATOM 427 CA THR A 28 9.151 -6.326 4.259 1.00 0.00 C ATOM 428 C THR A 28 7.980 -5.447 3.800 1.00 0.00 C ATOM 429 O THR A 28 6.849 -5.716 4.178 1.00 0.00 O ATOM 430 CB THR A 28 9.082 -6.717 5.753 1.00 0.00 C ATOM 431 OG1 THR A 28 10.351 -7.174 6.190 1.00 0.00 O ATOM 432 CG2 THR A 28 8.093 -7.859 6.021 1.00 0.00 C ATOM 0 H THR A 28 10.876 -6.158 3.122 1.00 0.00 H new ATOM 0 HA THR A 28 9.061 -7.259 3.704 1.00 0.00 H new ATOM 0 HB THR A 28 8.758 -5.822 6.285 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.302 -7.419 7.138 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.086 -8.092 7.086 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.094 -7.556 5.709 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.396 -8.742 5.459 1.00 0.00 H new ATOM 440 N GLY A 29 8.217 -4.457 2.934 1.00 0.00 N ATOM 441 CA GLY A 29 7.172 -3.609 2.398 1.00 0.00 C ATOM 442 C GLY A 29 7.802 -2.687 1.354 1.00 0.00 C ATOM 443 O GLY A 29 8.780 -2.010 1.663 1.00 0.00 O ATOM 0 H GLY A 29 9.149 -4.228 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.384 -4.213 1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.710 -3.025 3.194 1.00 0.00 H new ATOM 447 N PRO A 30 7.326 -2.671 0.100 1.00 0.00 N ATOM 448 CA PRO A 30 7.853 -1.764 -0.911 1.00 0.00 C ATOM 449 C PRO A 30 7.625 -0.318 -0.486 1.00 0.00 C ATOM 450 O PRO A 30 6.512 0.047 -0.115 1.00 0.00 O ATOM 451 CB PRO A 30 7.090 -2.057 -2.209 1.00 0.00 C ATOM 452 CG PRO A 30 5.867 -2.856 -1.750 1.00 0.00 C ATOM 453 CD PRO A 30 6.257 -3.495 -0.424 1.00 0.00 C ATOM 0 HA PRO A 30 8.925 -1.908 -1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.798 -1.137 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.699 -2.628 -2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.999 -2.207 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.598 -3.615 -2.485 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.411 -3.524 0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.587 -4.524 -0.566 1.00 0.00 H new ATOM 461 N ASN A 31 8.645 0.535 -0.595 1.00 0.00 N ATOM 462 CA ASN A 31 8.404 1.972 -0.610 1.00 0.00 C ATOM 463 C ASN A 31 7.342 2.308 -1.662 1.00 0.00 C ATOM 464 O ASN A 31 7.529 2.047 -2.851 1.00 0.00 O ATOM 465 CB ASN A 31 9.689 2.760 -0.884 1.00 0.00 C ATOM 466 CG ASN A 31 10.346 2.416 -2.221 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.492 1.247 -2.564 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.792 3.422 -2.970 1.00 0.00 N ATOM 0 H ASN A 31 9.624 0.261 -0.672 1.00 0.00 H new ATOM 0 HA ASN A 31 8.045 2.263 0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.463 3.826 -0.864 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.400 2.570 -0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.268 3.230 -3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.658 4.385 -2.662 1.00 0.00 H new ATOM 475 N LEU A 32 6.230 2.901 -1.224 1.00 0.00 N ATOM 476 CA LEU A 32 5.050 3.167 -2.037 1.00 0.00 C ATOM 477 C LEU A 32 5.270 4.405 -2.924 1.00 0.00 C ATOM 478 O LEU A 32 4.437 5.306 -2.990 1.00 0.00 O ATOM 479 CB LEU A 32 3.841 3.324 -1.097 1.00 0.00 C ATOM 480 CG LEU A 32 3.637 2.152 -0.121 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.471 2.461 0.824 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.344 0.852 -0.877 1.00 0.00 C ATOM 0 H LEU A 32 6.126 3.219 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 32 4.858 2.336 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.960 4.243 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.940 3.440 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 32 4.555 2.023 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.331 1.628 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.691 3.367 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.561 2.608 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.204 0.040 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.438 0.973 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.181 0.617 -1.535 1.00 0.00 H new ATOM 494 N HIS A 33 6.422 4.459 -3.595 1.00 0.00 N ATOM 495 CA HIS A 33 6.903 5.630 -4.302 1.00 0.00 C ATOM 496 C HIS A 33 6.276 5.646 -5.696 1.00 0.00 C ATOM 497 O HIS A 33 6.771 4.990 -6.617 1.00 0.00 O ATOM 498 CB HIS A 33 8.437 5.596 -4.310 1.00 0.00 C ATOM 499 CG HIS A 33 9.078 6.921 -4.629 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.002 8.059 -3.854 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.958 7.174 -5.648 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.813 8.978 -4.404 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.424 8.482 -5.492 1.00 0.00 N ATOM 0 H HIS A 33 7.058 3.664 -3.659 1.00 0.00 H new ATOM 0 HA HIS A 33 6.610 6.560 -3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.788 5.260 -3.334 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.770 4.858 -5.040 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.241 6.486 -6.431 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.954 9.979 -4.023 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.096 8.965 -6.088 1.00 0.00 H new ATOM 511 N GLY A 34 5.143 6.333 -5.818 1.00 0.00 N ATOM 512 CA GLY A 34 4.343 6.406 -7.027 1.00 0.00 C ATOM 513 C GLY A 34 3.003 5.755 -6.730 1.00 0.00 C ATOM 514 O GLY A 34 2.008 6.449 -6.533 1.00 0.00 O ATOM 0 H GLY A 34 4.747 6.872 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.206 7.443 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.844 5.894 -7.849 1.00 0.00 H new ATOM 518 N LEU A 35 2.989 4.424 -6.641 1.00 0.00 N ATOM 519 CA LEU A 35 1.813 3.648 -6.274 1.00 0.00 C ATOM 520 C LEU A 35 0.736 3.781 -7.364 1.00 0.00 C ATOM 521 O LEU A 35 0.630 2.934 -8.248 1.00 0.00 O ATOM 522 CB LEU A 35 1.330 4.060 -4.861 1.00 0.00 C ATOM 523 CG LEU A 35 1.074 2.886 -3.912 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.349 3.427 -2.676 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.214 1.820 -4.581 1.00 0.00 C ATOM 0 H LEU A 35 3.811 3.849 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 35 2.058 2.587 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.075 4.717 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.412 4.639 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 35 2.024 2.427 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.154 2.610 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.972 4.177 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.595 3.880 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.047 0.998 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.744 2.253 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.723 1.446 -5.469 1.00 0.00 H new ATOM 537 N PHE A 36 -0.009 4.883 -7.344 1.00 0.00 N ATOM 538 CA PHE A 36 -1.022 5.223 -8.323 1.00 0.00 C ATOM 539 C PHE A 36 -0.359 5.358 -9.684 1.00 0.00 C ATOM 540 O PHE A 36 0.505 6.213 -9.861 1.00 0.00 O ATOM 541 CB PHE A 36 -1.707 6.530 -7.905 1.00 0.00 C ATOM 542 CG PHE A 36 -2.510 6.369 -6.633 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.786 5.787 -6.710 1.00 0.00 C ATOM 544 CD2 PHE A 36 -1.901 6.539 -5.375 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.430 5.363 -5.540 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.565 6.132 -4.207 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.849 5.576 -4.286 1.00 0.00 C ATOM 0 H PHE A 36 0.085 5.588 -6.613 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.782 4.444 -8.381 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.953 7.304 -7.762 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.363 6.868 -8.707 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.269 5.667 -7.668 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.919 6.984 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.386 4.866 -5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.086 6.248 -3.246 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.385 5.314 -3.386 1.00 0.00 H new ATOM 557 N GLY A 37 -0.731 4.498 -10.636 1.00 0.00 N ATOM 558 CA GLY A 37 -0.126 4.528 -11.961 1.00 0.00 C ATOM 559 C GLY A 37 1.083 3.595 -12.060 1.00 0.00 C ATOM 560 O GLY A 37 1.541 3.302 -13.165 1.00 0.00 O ATOM 0 H GLY A 37 -1.444 3.779 -10.511 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.868 4.240 -12.705 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.182 5.547 -12.196 1.00 0.00 H new ATOM 564 N ARG A 38 1.609 3.105 -10.930 1.00 0.00 N ATOM 565 CA ARG A 38 2.718 2.171 -10.945 1.00 0.00 C ATOM 566 C ARG A 38 2.183 0.832 -11.455 1.00 0.00 C ATOM 567 O ARG A 38 1.446 0.150 -10.744 1.00 0.00 O ATOM 568 CB ARG A 38 3.327 2.049 -9.537 1.00 0.00 C ATOM 569 CG ARG A 38 4.651 1.273 -9.551 1.00 0.00 C ATOM 570 CD ARG A 38 5.872 2.180 -9.791 1.00 0.00 C ATOM 571 NE ARG A 38 6.466 2.677 -8.531 1.00 0.00 N ATOM 572 CZ ARG A 38 7.186 1.930 -7.674 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.361 0.624 -7.901 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.720 2.499 -6.591 1.00 0.00 N ATOM 0 H ARG A 38 1.276 3.347 -9.997 1.00 0.00 H new ATOM 0 HA ARG A 38 3.516 2.516 -11.602 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.494 3.045 -9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.619 1.547 -8.878 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.772 0.753 -8.601 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.612 0.511 -10.329 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.626 1.627 -10.351 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.575 3.028 -10.408 1.00 0.00 H new ATOM 0 HE ARG A 38 6.319 3.658 -8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.948 0.190 -8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.908 0.062 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.581 3.494 -6.417 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.267 1.938 -5.937 1.00 0.00 H new ATOM 588 N LYS A 39 2.557 0.458 -12.683 1.00 0.00 N ATOM 589 CA LYS A 39 2.293 -0.869 -13.221 1.00 0.00 C ATOM 590 C LYS A 39 2.807 -1.910 -12.227 1.00 0.00 C ATOM 591 O LYS A 39 4.015 -2.079 -12.062 1.00 0.00 O ATOM 592 CB LYS A 39 2.935 -1.037 -14.608 1.00 0.00 C ATOM 593 CG LYS A 39 2.208 -0.213 -15.685 1.00 0.00 C ATOM 594 CD LYS A 39 2.991 1.018 -16.168 1.00 0.00 C ATOM 595 CE LYS A 39 4.126 0.622 -17.127 1.00 0.00 C ATOM 596 NZ LYS A 39 4.844 1.800 -17.658 1.00 0.00 N ATOM 0 H LYS A 39 3.052 1.073 -13.329 1.00 0.00 H new ATOM 0 HA LYS A 39 1.220 -1.008 -13.356 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.980 -0.732 -14.563 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.922 -2.090 -14.888 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.999 -0.856 -16.540 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.246 0.114 -15.290 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.313 1.708 -16.670 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.406 1.547 -15.310 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.830 -0.026 -16.606 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.715 0.045 -17.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.600 1.486 -18.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.179 2.407 -18.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.259 2.337 -16.870 1.00 0.00 H new ATOM 610 N THR A 40 1.885 -2.556 -11.517 1.00 0.00 N ATOM 611 CA THR A 40 2.176 -3.527 -10.501 1.00 0.00 C ATOM 612 C THR A 40 2.817 -4.766 -11.123 1.00 0.00 C ATOM 613 O THR A 40 2.754 -4.986 -12.331 1.00 0.00 O ATOM 614 CB THR A 40 0.833 -3.845 -9.855 1.00 0.00 C ATOM 615 OG1 THR A 40 0.147 -2.635 -9.570 1.00 0.00 O ATOM 616 CG2 THR A 40 0.969 -4.720 -8.617 1.00 0.00 C ATOM 0 H THR A 40 0.885 -2.403 -11.648 1.00 0.00 H new ATOM 0 HA THR A 40 2.887 -3.160 -9.761 1.00 0.00 H new ATOM 0 HB THR A 40 0.247 -4.429 -10.564 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.108 -2.502 -8.600 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.019 -4.914 -8.199 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.440 -5.664 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.583 -4.209 -7.876 1.00 0.00 H new ATOM 624 N GLY A 41 3.413 -5.594 -10.270 1.00 0.00 N ATOM 625 CA GLY A 41 3.957 -6.874 -10.672 1.00 0.00 C ATOM 626 C GLY A 41 5.441 -6.792 -11.041 1.00 0.00 C ATOM 627 O GLY A 41 6.034 -7.789 -11.445 1.00 0.00 O ATOM 0 H GLY A 41 3.529 -5.389 -9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.827 -7.591 -9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.394 -7.252 -11.525 1.00 0.00 H new ATOM 631 N GLN A 42 6.073 -5.622 -10.875 1.00 0.00 N ATOM 632 CA GLN A 42 7.485 -5.447 -11.188 1.00 0.00 C ATOM 633 C GLN A 42 8.068 -4.278 -10.381 1.00 0.00 C ATOM 634 O GLN A 42 8.098 -3.143 -10.850 1.00 0.00 O ATOM 635 CB GLN A 42 7.652 -5.284 -12.711 1.00 0.00 C ATOM 636 CG GLN A 42 9.008 -5.825 -13.177 1.00 0.00 C ATOM 637 CD GLN A 42 9.204 -5.623 -14.675 1.00 0.00 C ATOM 638 OE1 GLN A 42 9.960 -4.755 -15.097 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.533 -6.425 -15.497 1.00 0.00 N ATOM 0 H GLN A 42 5.618 -4.780 -10.522 1.00 0.00 H new ATOM 0 HA GLN A 42 8.054 -6.330 -10.895 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.850 -5.811 -13.227 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.565 -4.231 -12.979 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.808 -5.323 -12.633 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.079 -6.886 -12.939 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.911 -7.139 -15.118 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.641 -6.326 -16.506 1.00 0.00 H new ATOM 648 N ALA A 43 8.530 -4.551 -9.157 1.00 0.00 N ATOM 649 CA ALA A 43 9.216 -3.565 -8.325 1.00 0.00 C ATOM 650 C ALA A 43 10.726 -3.611 -8.601 1.00 0.00 C ATOM 651 O ALA A 43 11.346 -4.659 -8.411 1.00 0.00 O ATOM 652 CB ALA A 43 8.929 -3.824 -6.845 1.00 0.00 C ATOM 0 H ALA A 43 8.437 -5.466 -8.716 1.00 0.00 H new ATOM 0 HA ALA A 43 8.845 -2.571 -8.573 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.447 -3.081 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.856 -3.755 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.279 -4.820 -6.575 1.00 0.00 H new ATOM 658 N PRO A 44 11.339 -2.504 -9.051 1.00 0.00 N ATOM 659 CA PRO A 44 12.755 -2.465 -9.376 1.00 0.00 C ATOM 660 C PRO A 44 13.603 -2.355 -8.104 1.00 0.00 C ATOM 661 O PRO A 44 13.963 -1.255 -7.688 1.00 0.00 O ATOM 662 CB PRO A 44 12.916 -1.246 -10.292 1.00 0.00 C ATOM 663 CG PRO A 44 11.827 -0.292 -9.804 1.00 0.00 C ATOM 664 CD PRO A 44 10.700 -1.240 -9.391 1.00 0.00 C ATOM 0 HA PRO A 44 13.097 -3.374 -9.870 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.908 -0.804 -10.202 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.779 -1.510 -11.341 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.169 0.317 -8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.510 0.394 -10.589 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.148 -0.841 -8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.984 -1.371 -10.202 1.00 0.00 H new ATOM 672 N GLY A 45 13.951 -3.494 -7.500 1.00 0.00 N ATOM 673 CA GLY A 45 14.942 -3.548 -6.429 1.00 0.00 C ATOM 674 C GLY A 45 14.663 -4.709 -5.483 1.00 0.00 C ATOM 675 O GLY A 45 15.492 -5.598 -5.310 1.00 0.00 O ATOM 0 H GLY A 45 13.553 -4.402 -7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.939 -3.655 -6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.932 -2.611 -5.873 1.00 0.00 H new ATOM 679 N PHE A 46 13.477 -4.691 -4.879 1.00 0.00 N ATOM 680 CA PHE A 46 12.934 -5.756 -4.053 1.00 0.00 C ATOM 681 C PHE A 46 11.602 -6.107 -4.697 1.00 0.00 C ATOM 682 O PHE A 46 10.916 -5.204 -5.168 1.00 0.00 O ATOM 683 CB PHE A 46 12.787 -5.254 -2.605 1.00 0.00 C ATOM 684 CG PHE A 46 11.466 -5.528 -1.908 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.383 -4.658 -2.123 1.00 0.00 C ATOM 686 CD2 PHE A 46 11.276 -6.690 -1.138 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.114 -4.989 -1.629 1.00 0.00 C ATOM 688 CE2 PHE A 46 10.008 -6.993 -0.607 1.00 0.00 C ATOM 689 CZ PHE A 46 8.930 -6.133 -0.839 1.00 0.00 C ATOM 0 H PHE A 46 12.843 -3.896 -4.958 1.00 0.00 H new ATOM 0 HA PHE A 46 13.571 -6.639 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.583 -5.702 -2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.954 -4.177 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.529 -3.737 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 46 12.108 -7.353 -0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.269 -4.357 -1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.868 -7.889 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.962 -6.349 -0.412 1.00 0.00 H new ATOM 699 N THR A 47 11.254 -7.392 -4.740 1.00 0.00 N ATOM 700 CA THR A 47 9.948 -7.843 -5.184 1.00 0.00 C ATOM 701 C THR A 47 9.382 -8.797 -4.136 1.00 0.00 C ATOM 702 O THR A 47 9.927 -8.927 -3.042 1.00 0.00 O ATOM 703 CB THR A 47 10.013 -8.413 -6.610 1.00 0.00 C ATOM 704 OG1 THR A 47 8.707 -8.574 -7.142 1.00 0.00 O ATOM 705 CG2 THR A 47 10.743 -9.755 -6.647 1.00 0.00 C ATOM 0 H THR A 47 11.879 -8.150 -4.465 1.00 0.00 H new ATOM 0 HA THR A 47 9.252 -7.008 -5.263 1.00 0.00 H new ATOM 0 HB THR A 47 10.570 -7.700 -7.218 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.614 -8.030 -7.952 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.769 -10.127 -7.671 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.762 -9.625 -6.282 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.219 -10.472 -6.014 1.00 0.00 H new ATOM 713 N TYR A 48 8.260 -9.421 -4.475 1.00 0.00 N ATOM 714 CA TYR A 48 7.312 -9.964 -3.519 1.00 0.00 C ATOM 715 C TYR A 48 6.803 -11.332 -3.958 1.00 0.00 C ATOM 716 O TYR A 48 7.278 -11.892 -4.945 1.00 0.00 O ATOM 717 CB TYR A 48 6.167 -8.958 -3.328 1.00 0.00 C ATOM 718 CG TYR A 48 6.075 -7.820 -4.323 1.00 0.00 C ATOM 719 CD1 TYR A 48 5.384 -8.005 -5.532 1.00 0.00 C ATOM 720 CD2 TYR A 48 6.634 -6.568 -4.019 1.00 0.00 C ATOM 721 CE1 TYR A 48 5.220 -6.928 -6.414 1.00 0.00 C ATOM 722 CE2 TYR A 48 6.528 -5.509 -4.935 1.00 0.00 C ATOM 723 CZ TYR A 48 5.813 -5.689 -6.132 1.00 0.00 C ATOM 724 OH TYR A 48 5.881 -4.755 -7.118 1.00 0.00 O ATOM 0 H TYR A 48 7.981 -9.565 -5.445 1.00 0.00 H new ATOM 0 HA TYR A 48 7.809 -10.117 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.226 -9.508 -3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.257 -8.528 -2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.980 -8.975 -5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.146 -6.420 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.635 -7.053 -7.313 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.994 -4.559 -4.721 1.00 0.00 H new ATOM 0 HH TYR A 48 5.396 -3.950 -6.840 1.00 0.00 H new ATOM 734 N THR A 49 5.838 -11.868 -3.204 1.00 0.00 N ATOM 735 CA THR A 49 5.203 -13.136 -3.524 1.00 0.00 C ATOM 736 C THR A 49 4.653 -13.106 -4.949 1.00 0.00 C ATOM 737 O THR A 49 4.104 -12.093 -5.368 1.00 0.00 O ATOM 738 CB THR A 49 4.060 -13.408 -2.541 1.00 0.00 C ATOM 739 OG1 THR A 49 3.143 -12.329 -2.535 1.00 0.00 O ATOM 740 CG2 THR A 49 4.587 -13.642 -1.124 1.00 0.00 C ATOM 0 H THR A 49 5.480 -11.429 -2.356 1.00 0.00 H new ATOM 0 HA THR A 49 5.946 -13.929 -3.445 1.00 0.00 H new ATOM 0 HB THR A 49 3.551 -14.313 -2.873 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.257 -12.651 -2.803 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.751 -13.832 -0.451 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.257 -14.502 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.130 -12.759 -0.787 1.00 0.00 H new ATOM 748 N ASP A 50 4.751 -14.224 -5.672 1.00 0.00 N ATOM 749 CA ASP A 50 4.260 -14.363 -7.045 1.00 0.00 C ATOM 750 C ASP A 50 2.774 -14.034 -7.131 1.00 0.00 C ATOM 751 O ASP A 50 2.320 -13.460 -8.108 1.00 0.00 O ATOM 752 CB ASP A 50 4.569 -15.775 -7.550 1.00 0.00 C ATOM 753 CG ASP A 50 4.637 -15.793 -9.069 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.556 -15.866 -9.687 1.00 0.00 O ATOM 755 OD2 ASP A 50 5.776 -15.716 -9.578 1.00 0.00 O ATOM 0 H ASP A 50 5.183 -15.075 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 50 4.772 -13.648 -7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.516 -16.118 -7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.800 -16.467 -7.206 1.00 0.00 H new ATOM 760 N ALA A 51 2.007 -14.295 -6.075 1.00 0.00 N ATOM 761 CA ALA A 51 0.612 -13.887 -6.020 1.00 0.00 C ATOM 762 C ALA A 51 0.447 -12.377 -6.226 1.00 0.00 C ATOM 763 O ALA A 51 -0.496 -11.943 -6.891 1.00 0.00 O ATOM 764 CB ALA A 51 0.017 -14.349 -4.689 1.00 0.00 C ATOM 0 H ALA A 51 2.333 -14.789 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 51 0.069 -14.359 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.030 -14.049 -4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.088 -15.434 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.568 -13.893 -3.866 1.00 0.00 H new ATOM 770 N ASN A 52 1.352 -11.571 -5.663 1.00 0.00 N ATOM 771 CA ASN A 52 1.354 -10.128 -5.867 1.00 0.00 C ATOM 772 C ASN A 52 2.036 -9.803 -7.197 1.00 0.00 C ATOM 773 O ASN A 52 1.530 -9.020 -7.999 1.00 0.00 O ATOM 774 CB ASN A 52 2.045 -9.447 -4.677 1.00 0.00 C ATOM 775 CG ASN A 52 1.929 -7.922 -4.734 1.00 0.00 C ATOM 776 OD1 ASN A 52 2.248 -7.296 -5.738 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.465 -7.297 -3.656 1.00 0.00 N ATOM 0 H ASN A 52 2.100 -11.904 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 52 0.334 -9.747 -5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.604 -9.808 -3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.098 -9.729 -4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.370 -6.281 -3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.204 -7.833 -2.828 1.00 0.00 H new ATOM 784 N LYS A 53 3.183 -10.433 -7.461 1.00 0.00 N ATOM 785 CA LYS A 53 3.990 -10.143 -8.630 1.00 0.00 C ATOM 786 C LYS A 53 3.200 -10.421 -9.912 1.00 0.00 C ATOM 787 O LYS A 53 3.364 -9.741 -10.920 1.00 0.00 O ATOM 788 CB LYS A 53 5.314 -10.911 -8.591 1.00 0.00 C ATOM 789 CG LYS A 53 6.335 -10.176 -9.462 1.00 0.00 C ATOM 790 CD LYS A 53 7.663 -10.929 -9.529 1.00 0.00 C ATOM 791 CE LYS A 53 8.631 -10.117 -10.401 1.00 0.00 C ATOM 792 NZ LYS A 53 9.884 -10.852 -10.662 1.00 0.00 N ATOM 0 H LYS A 53 3.573 -11.161 -6.862 1.00 0.00 H new ATOM 0 HA LYS A 53 4.240 -9.082 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.677 -10.986 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.171 -11.929 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.934 -10.053 -10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.503 -9.176 -9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.074 -11.064 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.515 -11.924 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.149 -9.873 -11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.860 -9.173 -9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.511 -10.270 -11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.357 -11.063 -9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.668 -11.741 -11.156 1.00 0.00 H new ATOM 806 N ASN A 54 2.326 -11.422 -9.864 1.00 0.00 N ATOM 807 CA ASN A 54 1.522 -11.864 -10.984 1.00 0.00 C ATOM 808 C ASN A 54 0.270 -10.985 -11.152 1.00 0.00 C ATOM 809 O ASN A 54 -0.512 -11.196 -12.074 1.00 0.00 O ATOM 810 CB ASN A 54 1.124 -13.334 -10.784 1.00 0.00 C ATOM 811 CG ASN A 54 0.481 -13.956 -12.022 1.00 0.00 C ATOM 812 OD1 ASN A 54 0.813 -13.619 -13.153 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.440 -14.896 -11.820 1.00 0.00 N ATOM 0 H ASN A 54 2.157 -11.961 -9.015 1.00 0.00 H new ATOM 0 HA ASN A 54 2.115 -11.772 -11.894 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.009 -13.910 -10.514 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.429 -13.405 -9.947 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.886 -15.353 -12.616 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.700 -15.160 -10.870 1.00 0.00 H new ATOM 820 N LYS A 55 0.013 -10.039 -10.234 1.00 0.00 N ATOM 821 CA LYS A 55 -1.311 -9.420 -10.122 1.00 0.00 C ATOM 822 C LYS A 55 -1.675 -8.585 -11.357 1.00 0.00 C ATOM 823 O LYS A 55 -2.848 -8.507 -11.715 1.00 0.00 O ATOM 824 CB LYS A 55 -1.417 -8.594 -8.830 1.00 0.00 C ATOM 825 CG LYS A 55 -2.871 -8.334 -8.397 1.00 0.00 C ATOM 826 CD LYS A 55 -3.497 -9.577 -7.735 1.00 0.00 C ATOM 827 CE LYS A 55 -4.806 -10.077 -8.363 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.991 -9.487 -7.705 1.00 0.00 N ATOM 0 H LYS A 55 0.700 -9.691 -9.566 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.042 -10.227 -10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.893 -9.115 -8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.911 -7.639 -8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.899 -7.497 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.464 -8.046 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.769 -10.387 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.682 -9.352 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.818 -9.829 -9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.853 -11.164 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.833 -9.653 -8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.126 -9.928 -6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.848 -8.464 -7.586 1.00 0.00 H new ATOM 842 N GLY A 56 -0.684 -7.943 -11.988 1.00 0.00 N ATOM 843 CA GLY A 56 -0.857 -7.251 -13.261 1.00 0.00 C ATOM 844 C GLY A 56 -1.923 -6.151 -13.219 1.00 0.00 C ATOM 845 O GLY A 56 -2.753 -6.048 -14.120 1.00 0.00 O ATOM 0 H GLY A 56 0.267 -7.892 -11.622 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.095 -6.812 -13.559 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.127 -7.978 -14.027 1.00 0.00 H new ATOM 849 N ILE A 57 -1.879 -5.310 -12.184 1.00 0.00 N ATOM 850 CA ILE A 57 -2.716 -4.125 -12.026 1.00 0.00 C ATOM 851 C ILE A 57 -1.830 -2.869 -12.063 1.00 0.00 C ATOM 852 O ILE A 57 -0.716 -2.919 -12.581 1.00 0.00 O ATOM 853 CB ILE A 57 -3.579 -4.261 -10.754 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.746 -4.620 -9.516 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.681 -5.305 -10.982 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.378 -4.100 -8.226 1.00 0.00 C ATOM 0 H ILE A 57 -1.234 -5.443 -11.405 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.421 -4.026 -12.852 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.031 -3.289 -10.558 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.637 -5.703 -9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.744 -4.204 -9.621 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.287 -5.397 -10.081 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.312 -4.992 -11.814 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.227 -6.269 -11.214 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.753 -4.378 -7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.463 -3.014 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.370 -4.536 -8.105 1.00 0.00 H new ATOM 868 N THR A 58 -2.325 -1.724 -11.579 1.00 0.00 N ATOM 869 CA THR A 58 -1.691 -0.421 -11.706 1.00 0.00 C ATOM 870 C THR A 58 -1.717 0.317 -10.359 1.00 0.00 C ATOM 871 O THR A 58 -1.783 1.548 -10.339 1.00 0.00 O ATOM 872 CB THR A 58 -2.499 0.352 -12.763 1.00 0.00 C ATOM 873 OG1 THR A 58 -3.051 -0.533 -13.728 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.641 1.395 -13.458 1.00 0.00 C ATOM 0 H THR A 58 -3.209 -1.686 -11.072 1.00 0.00 H new ATOM 0 HA THR A 58 -0.646 -0.514 -12.002 1.00 0.00 H new ATOM 0 HB THR A 58 -3.311 0.860 -12.242 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.278 -0.032 -14.539 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.240 1.924 -14.199 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.264 2.105 -12.722 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.802 0.905 -13.953 1.00 0.00 H new ATOM 882 N TRP A 59 -1.777 -0.457 -9.267 1.00 0.00 N ATOM 883 CA TRP A 59 -2.234 -0.048 -7.943 1.00 0.00 C ATOM 884 C TRP A 59 -3.049 1.242 -7.941 1.00 0.00 C ATOM 885 O TRP A 59 -2.602 2.279 -7.457 1.00 0.00 O ATOM 886 CB TRP A 59 -1.070 0.007 -6.962 1.00 0.00 C ATOM 887 CG TRP A 59 -0.593 -1.324 -6.500 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.645 -1.832 -6.665 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.330 -2.300 -5.710 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.703 -3.073 -6.074 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.493 -3.429 -5.490 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.607 -2.319 -5.110 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.903 -4.532 -4.727 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -3.001 -3.388 -4.288 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.158 -4.497 -4.104 1.00 0.00 C ATOM 0 H TRP A 59 -1.492 -1.436 -9.291 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.929 -0.818 -7.608 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.240 0.534 -7.431 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.370 0.594 -6.094 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.460 -1.343 -7.178 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.536 -3.662 -6.069 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.290 -1.501 -5.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.262 -5.395 -4.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.960 -3.357 -3.793 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.477 -5.321 -3.483 1.00 0.00 H new ATOM 906 N LYS A 60 -4.270 1.158 -8.471 1.00 0.00 N ATOM 907 CA LYS A 60 -5.167 2.294 -8.516 1.00 0.00 C ATOM 908 C LYS A 60 -6.054 2.305 -7.267 1.00 0.00 C ATOM 909 O LYS A 60 -6.118 1.322 -6.519 1.00 0.00 O ATOM 910 CB LYS A 60 -5.977 2.288 -9.822 1.00 0.00 C ATOM 911 CG LYS A 60 -6.734 0.979 -10.092 1.00 0.00 C ATOM 912 CD LYS A 60 -6.042 0.035 -11.087 1.00 0.00 C ATOM 913 CE LYS A 60 -6.309 0.496 -12.531 1.00 0.00 C ATOM 914 NZ LYS A 60 -5.754 -0.427 -13.547 1.00 0.00 N ATOM 0 H LYS A 60 -4.655 0.304 -8.876 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.591 3.219 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.693 3.109 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.302 2.482 -10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.872 0.453 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.727 1.220 -10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.969 0.017 -10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.408 -0.982 -10.949 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.384 0.590 -12.683 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.879 1.487 -12.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.845 0.000 -14.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.750 -0.605 -13.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.277 -1.326 -13.522 1.00 0.00 H new ATOM 928 N GLU A 61 -6.781 3.413 -7.097 1.00 0.00 N ATOM 929 CA GLU A 61 -7.665 3.701 -5.958 1.00 0.00 C ATOM 930 C GLU A 61 -8.846 2.743 -5.810 1.00 0.00 C ATOM 931 O GLU A 61 -9.573 2.808 -4.822 1.00 0.00 O ATOM 932 CB GLU A 61 -8.051 5.198 -5.899 1.00 0.00 C ATOM 933 CG GLU A 61 -8.447 5.886 -7.220 1.00 0.00 C ATOM 934 CD GLU A 61 -8.273 7.395 -7.097 1.00 0.00 C ATOM 935 OE1 GLU A 61 -7.136 7.890 -7.273 1.00 0.00 O ATOM 936 OE2 GLU A 61 -9.250 8.094 -6.751 1.00 0.00 O ATOM 0 H GLU A 61 -6.771 4.170 -7.780 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.076 3.499 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.883 5.303 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.209 5.745 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.831 5.506 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.482 5.650 -7.466 1.00 0.00 H new ATOM 943 N GLU A 62 -8.975 1.808 -6.743 1.00 0.00 N ATOM 944 CA GLU A 62 -9.944 0.740 -6.716 1.00 0.00 C ATOM 945 C GLU A 62 -9.323 -0.471 -6.009 1.00 0.00 C ATOM 946 O GLU A 62 -9.845 -1.022 -5.041 1.00 0.00 O ATOM 947 CB GLU A 62 -10.317 0.407 -8.174 1.00 0.00 C ATOM 948 CG GLU A 62 -10.361 1.638 -9.103 1.00 0.00 C ATOM 949 CD GLU A 62 -10.635 1.227 -10.546 1.00 0.00 C ATOM 950 OE1 GLU A 62 -9.848 0.393 -11.051 1.00 0.00 O ATOM 951 OE2 GLU A 62 -11.604 1.762 -11.120 1.00 0.00 O ATOM 0 H GLU A 62 -8.379 1.779 -7.570 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.845 1.026 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.596 -0.309 -8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.291 -0.081 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.136 2.326 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.413 2.173 -9.048 1.00 0.00 H new ATOM 958 N THR A 63 -8.158 -0.873 -6.514 1.00 0.00 N ATOM 959 CA THR A 63 -7.438 -2.067 -6.133 1.00 0.00 C ATOM 960 C THR A 63 -6.848 -1.905 -4.740 1.00 0.00 C ATOM 961 O THR A 63 -6.881 -2.844 -3.947 1.00 0.00 O ATOM 962 CB THR A 63 -6.363 -2.347 -7.194 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.733 -1.154 -7.639 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.016 -3.002 -8.416 1.00 0.00 C ATOM 0 H THR A 63 -7.673 -0.341 -7.237 1.00 0.00 H new ATOM 0 HA THR A 63 -8.111 -2.923 -6.089 1.00 0.00 H new ATOM 0 HB THR A 63 -5.618 -2.997 -6.735 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.901 -0.435 -6.994 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.256 -3.202 -9.171 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.487 -3.939 -8.118 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.770 -2.332 -8.829 1.00 0.00 H new ATOM 972 N LEU A 64 -6.338 -0.707 -4.426 1.00 0.00 N ATOM 973 CA LEU A 64 -5.943 -0.405 -3.061 1.00 0.00 C ATOM 974 C LEU A 64 -7.103 -0.663 -2.110 1.00 0.00 C ATOM 975 O LEU A 64 -6.894 -1.222 -1.043 1.00 0.00 O ATOM 976 CB LEU A 64 -5.483 1.050 -2.917 1.00 0.00 C ATOM 977 CG LEU A 64 -3.957 1.195 -3.017 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.579 1.792 -4.367 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.427 2.087 -1.889 1.00 0.00 C ATOM 0 H LEU A 64 -6.194 0.052 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.106 -1.057 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.954 1.655 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.820 1.441 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.508 0.206 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.495 1.892 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.930 1.138 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.040 2.774 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.344 2.178 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.882 3.075 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.678 1.643 -0.926 1.00 0.00 H new ATOM 991 N MET A 65 -8.318 -0.249 -2.467 1.00 0.00 N ATOM 992 CA MET A 65 -9.441 -0.374 -1.566 1.00 0.00 C ATOM 993 C MET A 65 -9.707 -1.848 -1.242 1.00 0.00 C ATOM 994 O MET A 65 -9.778 -2.213 -0.067 1.00 0.00 O ATOM 995 CB MET A 65 -10.644 0.373 -2.154 1.00 0.00 C ATOM 996 CG MET A 65 -11.605 0.762 -1.032 1.00 0.00 C ATOM 997 SD MET A 65 -12.824 2.048 -1.405 1.00 0.00 S ATOM 998 CE MET A 65 -11.745 3.495 -1.531 1.00 0.00 C ATOM 0 H MET A 65 -8.540 0.172 -3.369 1.00 0.00 H new ATOM 0 HA MET A 65 -9.223 0.094 -0.606 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.308 1.264 -2.684 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.155 -0.257 -2.882 1.00 0.00 H new ATOM 0 HG2 MET A 65 -12.142 -0.134 -0.720 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.013 1.093 -0.178 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.352 4.400 -1.563 1.00 0.00 H new ATOM 0 HE2 MET A 65 -11.083 3.532 -0.665 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.149 3.426 -2.441 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.798 -2.698 -2.274 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.003 -4.136 -2.071 1.00 0.00 C ATOM 1010 C GLU A 66 -8.872 -4.726 -1.213 1.00 0.00 C ATOM 1011 O GLU A 66 -9.115 -5.454 -0.252 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.128 -4.856 -3.429 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.484 -5.553 -3.642 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.544 -6.990 -3.132 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.773 -7.836 -3.638 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.457 -7.330 -2.348 1.00 0.00 O ATOM 0 H GLU A 66 -9.733 -2.415 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.937 -4.289 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.973 -4.132 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.333 -5.597 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.259 -4.971 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.717 -5.549 -4.707 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.624 -4.404 -1.559 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.444 -4.906 -0.870 1.00 0.00 C ATOM 1025 C TYR A 67 -6.450 -4.524 0.604 1.00 0.00 C ATOM 1026 O TYR A 67 -6.461 -5.392 1.465 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.206 -4.379 -1.589 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.882 -4.922 -1.094 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.644 -6.308 -1.055 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.825 -4.037 -0.834 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.383 -6.808 -0.701 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.548 -4.541 -0.559 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.320 -5.924 -0.489 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.070 -6.411 -0.269 1.00 0.00 O ATOM 0 H TYR A 67 -7.407 -3.779 -2.336 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.440 -5.996 -0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.299 -4.609 -2.650 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.190 -3.293 -1.498 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.441 -6.994 -1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.996 -2.971 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.233 -7.872 -0.592 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.728 -3.857 -0.399 1.00 0.00 H new ATOM 0 HH TYR A 67 0.271 -6.064 0.582 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.443 -3.231 0.909 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.462 -2.744 2.281 1.00 0.00 C ATOM 1046 C LEU A 68 -7.664 -3.294 3.052 1.00 0.00 C ATOM 1047 O LEU A 68 -7.541 -3.564 4.245 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.427 -1.205 2.326 1.00 0.00 C ATOM 1049 CG LEU A 68 -5.022 -0.575 2.273 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.096 -1.135 3.357 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.341 -0.711 0.910 1.00 0.00 C ATOM 0 H LEU A 68 -6.424 -2.490 0.208 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.561 -3.111 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.011 -0.820 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.921 -0.874 3.239 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.191 0.486 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.117 -0.661 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.521 -0.931 4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.989 -2.212 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.356 -0.245 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.234 -1.767 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.947 -0.218 0.150 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.819 -3.465 2.398 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.953 -4.114 3.037 1.00 0.00 C ATOM 1065 C GLU A 69 -9.630 -5.567 3.406 1.00 0.00 C ATOM 1066 O GLU A 69 -9.963 -5.996 4.509 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.204 -3.991 2.155 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.456 -4.504 2.882 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.747 -3.928 2.312 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.795 -2.686 2.174 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.680 -4.725 2.086 1.00 0.00 O ATOM 0 H GLU A 69 -8.985 -3.164 1.438 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.166 -3.603 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.349 -2.949 1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.059 -4.556 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.489 -5.592 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.386 -4.250 3.940 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.005 -6.330 2.498 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.731 -7.749 2.705 1.00 0.00 C ATOM 1080 C ASN A 70 -7.566 -8.229 1.833 1.00 0.00 C ATOM 1081 O ASN A 70 -7.784 -8.773 0.751 1.00 0.00 O ATOM 1082 CB ASN A 70 -9.985 -8.554 2.363 1.00 0.00 C ATOM 1083 CG ASN A 70 -9.925 -9.961 2.944 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -8.850 -10.506 3.188 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.087 -10.574 3.158 1.00 0.00 N ATOM 0 H ASN A 70 -8.677 -5.975 1.600 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.454 -7.897 3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.865 -8.038 2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.097 -8.611 1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.102 -11.522 3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.963 -10.096 2.946 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.311 -8.069 2.265 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.183 -8.205 1.362 1.00 0.00 C ATOM 1094 C PRO A 71 -4.943 -9.666 0.996 1.00 0.00 C ATOM 1095 O PRO A 71 -4.738 -10.003 -0.169 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.005 -7.544 2.079 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.377 -7.620 3.557 1.00 0.00 C ATOM 1098 CD PRO A 71 -5.908 -7.573 3.563 1.00 0.00 C ATOM 0 HA PRO A 71 -5.353 -7.718 0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.071 -8.067 1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.869 -6.512 1.755 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.005 -8.537 4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.951 -6.788 4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.317 -8.189 4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.270 -6.558 3.726 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.031 -10.532 2.006 1.00 0.00 N ATOM 1107 CA LYS A 72 -4.957 -11.979 1.876 1.00 0.00 C ATOM 1108 C LYS A 72 -6.055 -12.556 0.969 1.00 0.00 C ATOM 1109 O LYS A 72 -5.938 -13.710 0.561 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.016 -12.584 3.287 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.663 -12.447 4.010 1.00 0.00 C ATOM 1112 CD LYS A 72 -2.877 -13.764 3.933 1.00 0.00 C ATOM 1113 CE LYS A 72 -3.407 -14.758 4.983 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.061 -16.158 4.663 1.00 0.00 N ATOM 0 H LYS A 72 -5.161 -10.229 2.971 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.018 -12.242 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.793 -12.086 3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.292 -13.637 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.082 -11.643 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.827 -12.175 5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.969 -14.193 2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.817 -13.575 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.999 -14.501 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.490 -14.662 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.440 -16.786 5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.472 -16.416 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.027 -16.259 4.621 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.115 -11.792 0.670 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.140 -12.184 -0.286 1.00 0.00 C ATOM 1130 C LYS A 73 -7.812 -11.590 -1.658 1.00 0.00 C ATOM 1131 O LYS A 73 -7.730 -12.327 -2.639 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.514 -11.756 0.246 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.679 -12.031 -0.715 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.089 -10.735 -1.429 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.135 -10.995 -2.514 1.00 0.00 C ATOM 1136 NZ LYS A 73 -12.459 -9.747 -3.234 1.00 0.00 N ATOM 0 H LYS A 73 -7.279 -10.878 1.093 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.167 -13.267 -0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.704 -12.274 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.487 -10.690 0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.387 -12.783 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.528 -12.436 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.487 -10.029 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.209 -10.271 -1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.761 -11.740 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.039 -11.407 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.132 -9.953 -3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.884 -9.065 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.590 -9.343 -3.637 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.639 -10.264 -1.744 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.338 -9.586 -3.009 1.00 0.00 C ATOM 1152 C TYR A 74 -6.162 -10.216 -3.770 1.00 0.00 C ATOM 1153 O TYR A 74 -6.148 -10.243 -5.011 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.034 -8.113 -2.730 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.754 -7.303 -3.985 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.725 -7.253 -5.000 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.451 -6.845 -4.260 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.371 -6.864 -6.299 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.098 -6.447 -5.559 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.046 -6.516 -6.590 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.614 -6.741 -7.863 1.00 0.00 O ATOM 0 H TYR A 74 -7.704 -9.636 -0.943 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.217 -9.691 -3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.878 -7.670 -2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.173 -8.048 -2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.749 -7.516 -4.778 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.719 -6.800 -3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.120 -6.833 -7.076 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.100 -6.089 -5.764 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.369 -6.662 -8.483 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.160 -10.668 -3.010 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.009 -11.421 -3.496 1.00 0.00 C ATOM 1173 C ILE A 75 -3.999 -12.808 -2.837 1.00 0.00 C ATOM 1174 O ILE A 75 -3.959 -12.890 -1.608 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.718 -10.640 -3.194 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.642 -9.440 -4.144 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.478 -11.519 -3.413 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.541 -8.446 -3.798 1.00 0.00 C ATOM 0 H ILE A 75 -5.131 -10.512 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.073 -11.557 -4.576 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.738 -10.318 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.484 -9.803 -5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.601 -8.922 -4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.580 -10.942 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.525 -12.385 -2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.448 -11.855 -4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.552 -7.626 -4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.708 -8.053 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.574 -8.947 -3.835 1.00 0.00 H new ATOM 1190 N PRO A 76 -3.989 -13.906 -3.617 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.012 -15.261 -3.084 1.00 0.00 C ATOM 1192 C PRO A 76 -2.647 -15.645 -2.499 1.00 0.00 C ATOM 1193 O PRO A 76 -1.911 -16.436 -3.086 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.420 -16.147 -4.268 1.00 0.00 C ATOM 1195 CG PRO A 76 -3.836 -15.405 -5.468 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.014 -13.938 -5.074 1.00 0.00 C ATOM 0 HA PRO A 76 -4.712 -15.373 -2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.012 -17.154 -4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.503 -16.247 -4.343 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.788 -15.657 -5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.367 -15.644 -6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.217 -13.323 -5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.955 -13.543 -5.457 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.318 -15.101 -1.324 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.111 -15.451 -0.584 1.00 0.00 C ATOM 1206 C GLY A 77 -0.043 -14.373 -0.734 1.00 0.00 C ATOM 1207 O GLY A 77 1.038 -14.625 -1.259 1.00 0.00 O ATOM 0 H GLY A 77 -2.891 -14.398 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.353 -15.583 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.723 -16.404 -0.944 1.00 0.00 H new ATOM 1211 N THR A 78 -0.354 -13.174 -0.241 1.00 0.00 N ATOM 1212 CA THR A 78 0.572 -12.067 -0.141 1.00 0.00 C ATOM 1213 C THR A 78 1.390 -12.281 1.141 1.00 0.00 C ATOM 1214 O THR A 78 0.926 -12.952 2.065 1.00 0.00 O ATOM 1215 CB THR A 78 -0.264 -10.773 -0.175 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.418 -9.663 -0.717 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.934 -10.438 1.157 1.00 0.00 C ATOM 0 H THR A 78 -1.286 -12.949 0.107 1.00 0.00 H new ATOM 0 HA THR A 78 1.288 -11.996 -0.960 1.00 0.00 H new ATOM 0 HB THR A 78 -1.069 -11.001 -0.873 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.122 -9.378 -0.098 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.504 -9.515 1.055 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.604 -11.249 1.441 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.172 -10.311 1.926 1.00 0.00 H new ATOM 1225 N LYS A 79 2.599 -11.726 1.206 1.00 0.00 N ATOM 1226 CA LYS A 79 3.423 -11.710 2.409 1.00 0.00 C ATOM 1227 C LYS A 79 2.975 -10.594 3.363 1.00 0.00 C ATOM 1228 O LYS A 79 3.322 -10.635 4.541 1.00 0.00 O ATOM 1229 CB LYS A 79 4.905 -11.632 2.005 1.00 0.00 C ATOM 1230 CG LYS A 79 5.864 -11.356 3.173 1.00 0.00 C ATOM 1231 CD LYS A 79 7.310 -11.724 2.800 1.00 0.00 C ATOM 1232 CE LYS A 79 7.633 -13.188 3.136 1.00 0.00 C ATOM 1233 NZ LYS A 79 7.780 -13.408 4.592 1.00 0.00 N ATOM 0 H LYS A 79 3.039 -11.267 0.409 1.00 0.00 H new ATOM 0 HA LYS A 79 3.294 -12.635 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.190 -12.571 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.025 -10.847 1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.813 -10.303 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.553 -11.929 4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.465 -11.553 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.000 -11.069 3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.841 -13.831 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.554 -13.480 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.193 -14.348 4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.404 -12.679 4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.847 -13.353 5.047 1.00 0.00 H new ATOM 1247 N MET A 80 2.215 -9.606 2.882 1.00 0.00 N ATOM 1248 CA MET A 80 1.611 -8.574 3.716 1.00 0.00 C ATOM 1249 C MET A 80 0.689 -9.188 4.777 1.00 0.00 C ATOM 1250 O MET A 80 -0.008 -10.170 4.526 1.00 0.00 O ATOM 1251 CB MET A 80 0.861 -7.591 2.817 1.00 0.00 C ATOM 1252 CG MET A 80 0.260 -6.378 3.524 1.00 0.00 C ATOM 1253 SD MET A 80 0.246 -4.908 2.472 1.00 0.00 S ATOM 1254 CE MET A 80 -1.417 -4.234 2.720 1.00 0.00 C ATOM 0 H MET A 80 2.002 -9.503 1.890 1.00 0.00 H new ATOM 0 HA MET A 80 2.392 -8.038 4.256 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.545 -7.238 2.045 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.059 -8.128 2.311 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.759 -6.609 3.835 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.830 -6.169 4.429 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.536 -3.330 2.122 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.158 -4.972 2.414 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.559 -3.993 3.774 1.00 0.00 H new ATOM 1264 N ILE A 81 0.700 -8.597 5.974 1.00 0.00 N ATOM 1265 CA ILE A 81 0.078 -9.134 7.177 1.00 0.00 C ATOM 1266 C ILE A 81 -0.893 -8.081 7.711 1.00 0.00 C ATOM 1267 O ILE A 81 -0.510 -7.253 8.534 1.00 0.00 O ATOM 1268 CB ILE A 81 1.175 -9.457 8.210 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.319 -10.328 7.661 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.580 -10.088 9.479 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.893 -11.740 7.240 1.00 0.00 C ATOM 0 H ILE A 81 1.159 -7.700 6.133 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.468 -10.054 6.967 1.00 0.00 H new ATOM 0 HB ILE A 81 1.621 -8.495 8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.763 -9.824 6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.096 -10.407 8.421 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.380 -10.304 10.187 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.129 -9.395 9.932 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.066 -11.014 9.219 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.760 -12.285 6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.477 -12.266 8.099 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.139 -11.674 6.456 1.00 0.00 H new ATOM 1283 N PHE A 82 -2.136 -8.064 7.218 1.00 0.00 N ATOM 1284 CA PHE A 82 -3.062 -6.997 7.579 1.00 0.00 C ATOM 1285 C PHE A 82 -4.513 -7.378 7.263 1.00 0.00 C ATOM 1286 O PHE A 82 -5.098 -6.882 6.308 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.610 -5.702 6.882 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.083 -4.451 7.575 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.582 -4.128 8.850 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.039 -3.627 6.964 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.098 -3.025 9.547 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.506 -2.493 7.639 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.085 -2.221 8.953 1.00 0.00 C ATOM 0 H PHE A 82 -2.515 -8.764 6.580 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.041 -6.832 8.656 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.521 -5.689 6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.980 -5.702 5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.801 -4.729 9.292 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.413 -3.866 5.979 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.737 -2.795 10.538 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.195 -1.822 7.147 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.518 -1.398 9.503 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.085 -8.294 8.053 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.366 -8.943 7.769 1.00 0.00 C ATOM 1305 C ALA A 83 -7.516 -7.977 7.453 1.00 0.00 C ATOM 1306 O ALA A 83 -8.307 -8.253 6.556 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.746 -9.855 8.940 1.00 0.00 C ATOM 0 H ALA A 83 -4.660 -8.610 8.925 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.218 -9.522 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.700 -10.339 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.976 -10.614 9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.833 -9.261 9.850 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.636 -6.882 8.211 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.674 -5.872 8.052 1.00 0.00 C ATOM 1315 C GLY A 84 -8.072 -4.505 8.368 1.00 0.00 C ATOM 1316 O GLY A 84 -6.930 -4.444 8.822 1.00 0.00 O ATOM 0 H GLY A 84 -6.992 -6.673 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.065 -5.888 7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.511 -6.081 8.719 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.816 -3.412 8.139 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.267 -2.069 8.178 1.00 0.00 C ATOM 1322 C ILE A 85 -8.605 -1.429 9.521 1.00 0.00 C ATOM 1323 O ILE A 85 -7.724 -0.971 10.244 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.767 -1.285 6.946 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -8.071 0.079 6.844 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -10.286 -1.056 6.908 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -6.725 0.058 6.116 1.00 0.00 C ATOM 0 H ILE A 85 -9.812 -3.446 7.923 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.179 -2.071 8.113 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.514 -1.921 6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.736 0.773 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.918 0.470 7.850 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.547 -0.498 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.799 -2.018 6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.591 -0.490 7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.308 1.065 6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.038 -0.607 6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.868 -0.299 5.096 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.900 -1.417 9.841 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.494 -0.905 11.051 1.00 0.00 C ATOM 1341 C LYS A 86 -11.993 -1.150 10.923 1.00 0.00 C ATOM 1342 O LYS A 86 -12.577 -1.914 11.685 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.176 0.587 11.235 1.00 0.00 C ATOM 1344 CG LYS A 86 -11.147 1.243 12.228 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.725 2.627 12.745 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.811 2.585 13.978 1.00 0.00 C ATOM 1347 NZ LYS A 86 -8.512 1.949 13.690 1.00 0.00 N ATOM 0 H LYS A 86 -10.603 -1.796 9.206 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.094 -1.405 11.933 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.153 0.702 11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.236 1.096 10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.122 1.334 11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.272 0.577 13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.213 3.161 11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.620 3.200 12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.644 3.600 14.339 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.310 2.040 14.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.838 2.179 14.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.635 0.918 13.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.146 2.302 12.782 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.603 -0.475 9.943 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.024 -0.555 9.652 1.00 0.00 C ATOM 1363 C LYS A 87 -14.293 0.082 8.289 1.00 0.00 C ATOM 1364 O LYS A 87 -14.730 -0.603 7.366 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.844 0.111 10.775 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.348 -0.096 10.553 1.00 0.00 C ATOM 1367 CD LYS A 87 -17.136 0.244 11.825 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.627 -0.063 11.616 1.00 0.00 C ATOM 1369 NZ LYS A 87 -19.420 0.133 12.848 1.00 0.00 N ATOM 0 H LYS A 87 -12.102 0.157 9.318 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.336 -1.598 9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.554 -0.307 11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.621 1.177 10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.689 0.532 9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.539 -1.130 10.266 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.752 -0.333 12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.004 1.297 12.074 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.020 0.579 10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.739 -1.092 11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.418 -0.086 12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.064 -0.498 13.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.336 1.121 13.161 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.015 1.386 8.168 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.226 2.168 6.949 1.00 0.00 C ATOM 1385 C LYS A 88 -13.486 3.510 6.993 1.00 0.00 C ATOM 1386 O LYS A 88 -12.833 3.857 6.017 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.719 2.376 6.640 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.882 2.985 5.235 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.352 3.152 4.830 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.417 3.726 3.402 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.802 3.967 2.945 1.00 0.00 N ATOM 0 H LYS A 88 -13.628 1.937 8.934 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.803 1.581 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.247 1.424 6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.166 3.034 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.388 3.956 5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.379 2.349 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.866 2.192 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.861 3.818 5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.859 4.662 3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -16.927 3.036 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.787 4.353 1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.331 3.071 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.264 4.647 3.582 1.00 0.00 H new ATOM 1405 N THR A 89 -13.574 4.269 8.090 1.00 0.00 N ATOM 1406 CA THR A 89 -12.913 5.565 8.246 1.00 0.00 C ATOM 1407 C THR A 89 -11.468 5.529 7.743 1.00 0.00 C ATOM 1408 O THR A 89 -11.022 6.405 7.005 1.00 0.00 O ATOM 1409 CB THR A 89 -12.961 5.930 9.735 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.277 5.715 10.203 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.525 7.374 10.002 1.00 0.00 C ATOM 0 H THR A 89 -14.117 3.993 8.908 1.00 0.00 H new ATOM 0 HA THR A 89 -13.429 6.316 7.647 1.00 0.00 H new ATOM 0 HB THR A 89 -12.254 5.295 10.269 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.327 5.942 11.155 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.578 7.578 11.071 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.501 7.515 9.656 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.185 8.058 9.469 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.758 4.475 8.140 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.375 4.238 7.780 1.00 0.00 C ATOM 1421 C GLU A 90 -9.236 4.107 6.251 1.00 0.00 C ATOM 1422 O GLU A 90 -8.389 4.732 5.623 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.896 3.029 8.600 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.402 3.103 8.968 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.071 2.636 10.385 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -7.889 2.857 11.307 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.963 2.090 10.547 1.00 0.00 O ATOM 0 H GLU A 90 -11.147 3.746 8.738 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.722 5.074 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.486 2.960 9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.080 2.117 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.836 2.498 8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.063 4.132 8.850 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.171 3.401 5.606 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.248 3.291 4.149 1.00 0.00 C ATOM 1436 C ARG A 91 -10.401 4.657 3.455 1.00 0.00 C ATOM 1437 O ARG A 91 -10.323 4.717 2.231 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.401 2.356 3.711 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.924 1.022 3.123 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.058 0.307 2.367 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.291 0.126 3.149 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.489 -0.760 4.136 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -12.506 -1.574 4.524 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.674 -0.797 4.750 1.00 0.00 N ATOM 0 H ARG A 91 -10.905 2.884 6.090 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.297 2.861 3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.041 2.156 4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.013 2.871 2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.088 1.199 2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.556 0.380 3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.293 0.876 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.702 -0.671 2.042 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.075 0.736 2.917 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.594 -1.526 4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.666 -2.245 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.415 -0.156 4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.838 -1.466 5.502 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.653 5.737 4.201 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.955 7.051 3.672 1.00 0.00 C ATOM 1460 C GLU A 92 -9.872 8.063 4.076 1.00 0.00 C ATOM 1461 O GLU A 92 -9.954 9.242 3.738 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.353 7.404 4.207 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.985 8.572 3.453 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.812 8.099 2.265 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.797 7.371 2.523 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -13.444 8.477 1.135 1.00 0.00 O ATOM 0 H GLU A 92 -10.650 5.710 5.221 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.960 7.072 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.001 6.531 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.282 7.654 5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.618 9.143 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.202 9.246 3.105 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.889 7.640 4.866 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.727 8.417 5.262 1.00 0.00 C ATOM 1475 C ASP A 93 -6.473 7.841 4.611 1.00 0.00 C ATOM 1476 O ASP A 93 -5.730 8.550 3.930 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.653 8.523 6.794 1.00 0.00 C ATOM 1478 CG ASP A 93 -6.805 7.532 7.568 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -6.911 6.328 7.273 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -6.113 8.004 8.491 1.00 0.00 O ATOM 0 H ASP A 93 -8.885 6.701 5.264 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.812 9.442 4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.291 9.522 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.671 8.451 7.177 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.276 6.533 4.758 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.130 5.821 4.208 1.00 0.00 C ATOM 1487 C LEU A 94 -5.029 6.051 2.706 1.00 0.00 C ATOM 1488 O LEU A 94 -3.983 6.430 2.179 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.275 4.322 4.513 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.314 3.813 5.586 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.921 3.722 4.986 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.236 4.624 6.879 1.00 0.00 C ATOM 0 H LEU A 94 -6.919 5.930 5.271 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.216 6.198 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.298 4.123 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.112 3.757 3.595 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.721 2.848 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.223 3.360 5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.933 3.033 4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.607 4.708 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.520 4.159 7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.914 5.640 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.218 4.651 7.351 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.156 5.868 2.024 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.213 5.969 0.566 1.00 0.00 C ATOM 1506 C ILE A 95 -6.291 7.441 0.143 1.00 0.00 C ATOM 1507 O ILE A 95 -6.383 7.745 -1.044 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.351 5.066 0.046 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.982 3.603 0.361 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.634 5.164 -1.463 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -8.117 2.899 1.083 1.00 0.00 C ATOM 0 H ILE A 95 -7.051 5.647 2.461 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.301 5.597 0.099 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.256 5.409 0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.752 3.075 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.082 3.575 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.450 4.490 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.913 6.187 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.740 4.884 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.831 1.869 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.328 3.415 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.008 2.907 0.455 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.191 8.365 1.104 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.168 9.787 0.846 1.00 0.00 C ATOM 1525 C ALA A 96 -4.709 10.234 0.874 1.00 0.00 C ATOM 1526 O ALA A 96 -4.226 10.816 -0.095 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.044 10.507 1.870 1.00 0.00 C ATOM 0 H ALA A 96 -6.123 8.130 2.094 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.581 10.035 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.026 11.579 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.068 10.141 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.664 10.315 2.873 1.00 0.00 H new ATOM 1533 N TYR A 97 -3.980 9.893 1.948 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.548 10.161 2.015 1.00 0.00 C ATOM 1535 C TYR A 97 -1.848 9.657 0.770 1.00 0.00 C ATOM 1536 O TYR A 97 -1.134 10.412 0.122 1.00 0.00 O ATOM 1537 CB TYR A 97 -1.877 9.504 3.225 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.345 9.490 3.185 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.372 10.563 2.615 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.376 8.409 3.726 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.777 10.579 2.627 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.784 8.416 3.723 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.489 9.492 3.156 1.00 0.00 C ATOM 1544 OH TYR A 97 3.854 9.537 3.151 1.00 0.00 O ATOM 0 H TYR A 97 -4.363 9.434 2.774 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.455 11.243 2.104 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.198 10.025 4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.233 8.477 3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.166 11.383 2.163 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.155 7.568 4.147 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.310 11.430 2.228 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.326 7.590 4.159 1.00 0.00 H new ATOM 0 HH TYR A 97 4.211 8.647 3.352 1.00 0.00 H new ATOM 1554 N LEU A 98 -1.993 8.375 0.454 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.181 7.784 -0.599 1.00 0.00 C ATOM 1556 C LEU A 98 -1.452 8.447 -1.958 1.00 0.00 C ATOM 1557 O LEU A 98 -0.580 8.472 -2.829 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.367 6.265 -0.596 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.013 5.642 0.768 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.353 4.150 0.751 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.458 5.856 1.152 1.00 0.00 C ATOM 0 H LEU A 98 -2.651 7.738 0.902 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.126 7.975 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.401 6.026 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.741 5.822 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.608 6.149 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.103 3.709 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.418 4.022 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.781 3.655 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.651 5.397 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.101 5.399 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.668 6.924 1.208 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.638 9.047 -2.101 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.074 9.758 -3.300 1.00 0.00 C ATOM 1575 C LYS A 99 -2.319 11.083 -3.483 1.00 0.00 C ATOM 1576 O LYS A 99 -2.401 11.700 -4.542 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.597 9.971 -3.216 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.333 9.322 -4.393 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.857 9.388 -4.183 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.505 10.555 -4.940 1.00 0.00 C ATOM 1581 NZ LYS A 99 -7.764 10.203 -6.351 1.00 0.00 N ATOM 0 H LYS A 99 -3.340 9.049 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.842 9.159 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.970 9.554 -2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.813 11.039 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.066 9.829 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.020 8.283 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.307 8.451 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.070 9.487 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.441 10.831 -4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.853 11.427 -4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.724 11.062 -6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.044 9.528 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.707 9.771 -6.434 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.584 11.505 -2.454 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.714 12.641 -2.364 1.00 0.00 C ATOM 1597 C LYS A 100 0.733 12.126 -2.314 1.00 0.00 C ATOM 1598 O LYS A 100 1.584 12.740 -2.935 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.146 13.445 -1.122 1.00 0.00 C ATOM 1600 CG LYS A 100 0.037 13.939 -0.297 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.422 14.916 0.790 1.00 0.00 C ATOM 1602 CE LYS A 100 0.762 15.676 1.389 1.00 0.00 C ATOM 1603 NZ LYS A 100 0.358 16.736 2.331 1.00 0.00 N ATOM 0 H LYS A 100 -1.597 10.990 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.774 13.311 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.745 14.299 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.785 12.822 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.544 13.091 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.761 14.428 -0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.135 15.624 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.942 14.370 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.414 14.971 1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.346 16.119 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.205 17.213 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.241 17.428 1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.175 16.316 3.119 1.00 0.00 H new ATOM 1617 N ALA A 101 1.029 11.023 -1.609 1.00 0.00 N ATOM 1618 CA ALA A 101 2.372 10.455 -1.482 1.00 0.00 C ATOM 1619 C ALA A 101 2.994 10.185 -2.845 1.00 0.00 C ATOM 1620 O ALA A 101 4.172 10.458 -3.063 1.00 0.00 O ATOM 1621 CB ALA A 101 2.338 9.164 -0.660 1.00 0.00 C ATOM 0 H ALA A 101 0.322 10.492 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 101 2.989 11.190 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.346 8.758 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.950 9.377 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.693 8.436 -1.152 1.00 0.00 H new ATOM 1627 N THR A 102 2.169 9.668 -3.761 1.00 0.00 N ATOM 1628 CA THR A 102 2.481 9.526 -5.179 1.00 0.00 C ATOM 1629 C THR A 102 3.252 10.736 -5.729 1.00 0.00 C ATOM 1630 O THR A 102 4.160 10.576 -6.542 1.00 0.00 O ATOM 1631 CB THR A 102 1.163 9.275 -5.932 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.376 8.958 -7.290 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.182 10.445 -5.863 1.00 0.00 C ATOM 0 H THR A 102 1.237 9.327 -3.524 1.00 0.00 H new ATOM 0 HA THR A 102 3.150 8.678 -5.326 1.00 0.00 H new ATOM 0 HB THR A 102 0.721 8.424 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.647 8.020 -7.368 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.723 10.194 -6.416 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.073 10.645 -4.822 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.641 11.331 -6.301 1.00 0.00 H new ATOM 1641 N ASN A 103 2.885 11.937 -5.272 1.00 0.00 N ATOM 1642 CA ASN A 103 3.449 13.213 -5.684 1.00 0.00 C ATOM 1643 C ASN A 103 3.590 14.153 -4.472 1.00 0.00 C ATOM 1644 O ASN A 103 3.080 15.272 -4.505 1.00 0.00 O ATOM 1645 CB ASN A 103 2.522 13.786 -6.766 1.00 0.00 C ATOM 1646 CG ASN A 103 3.070 15.035 -7.448 1.00 0.00 C ATOM 1647 OD1 ASN A 103 4.267 15.300 -7.439 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.193 15.792 -8.103 1.00 0.00 N ATOM 0 H ASN A 103 2.151 12.044 -4.572 1.00 0.00 H new ATOM 0 HA ASN A 103 4.453 13.094 -6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.343 13.020 -7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.557 14.022 -6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.511 16.615 -8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.202 15.549 -8.094 1.00 0.00 H new ATOM 1655 N GLU A 104 4.255 13.681 -3.408 1.00 0.00 N ATOM 1656 CA GLU A 104 4.701 14.504 -2.281 1.00 0.00 C ATOM 1657 C GLU A 104 6.008 15.176 -2.716 1.00 0.00 C ATOM 1658 O GLU A 104 6.938 14.415 -3.067 1.00 0.00 O ATOM 1659 CB GLU A 104 4.952 13.625 -1.033 1.00 0.00 C ATOM 1660 CG GLU A 104 3.789 13.496 -0.033 1.00 0.00 C ATOM 1661 CD GLU A 104 3.776 14.535 1.084 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.721 15.744 0.783 1.00 0.00 O ATOM 1663 OE2 GLU A 104 3.706 14.110 2.261 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.066 16.424 -2.686 1.00 0.00 O ATOM 0 H GLU A 104 4.502 12.696 -3.307 1.00 0.00 H new ATOM 0 HA GLU A 104 3.943 15.242 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.223 12.625 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.815 14.027 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.850 13.564 -0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.825 12.503 0.416 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.898 -3.259 2.762 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.692 -4.425 -0.510 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.032 -0.760 1.453 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.126 -2.365 5.981 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.960 -5.791 4.031 1.00 0.00 C HETATM 1677 NA HEC A 105 1.393 -2.730 0.817 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.837 -3.316 -0.351 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.292 -2.533 -1.441 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.497 -1.546 -0.892 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.622 -1.642 0.542 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.395 -0.571 -1.630 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.559 -2.750 -2.910 1.00 0.00 C HETATM 1684 CBA HEC A 105 2.657 -1.844 -3.487 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.499 -2.488 -4.592 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.114 -3.574 -5.080 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.525 -1.864 -4.940 1.00 0.00 O HETATM 1688 NB HEC A 105 0.799 -1.828 3.569 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.131 -0.895 2.846 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.452 0.020 3.789 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.223 -0.469 5.060 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.619 -1.625 4.911 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.028 1.351 3.419 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.866 -0.026 6.362 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.389 -0.107 6.276 1.00 0.00 C HETATM 1696 NC HEC A 105 2.435 -3.958 4.659 1.00 0.00 N HETATM 1697 C1C HEC A 105 2.000 -3.416 5.817 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.629 -4.114 6.909 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.532 -4.989 6.352 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.309 -4.962 4.925 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.381 -3.854 8.375 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.725 -5.634 7.030 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.374 -6.836 7.909 1.00 0.00 C HETATM 1704 ND HEC A 105 3.103 -4.833 1.914 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.834 -5.712 2.653 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.501 -6.610 1.745 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.169 -6.228 0.471 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.260 -5.104 0.575 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.407 -7.757 2.118 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.668 -6.905 -0.784 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.620 -7.819 -1.429 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.551 -9.198 -0.775 1.00 0.00 C HETATM 1713 O1D HEC A 105 2.844 -9.291 0.250 1.00 0.00 O HETATM 1714 O2D HEC A 105 4.169 -10.155 -1.297 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.260 -7.379 2.681 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.856 -8.471 2.730 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.760 -8.251 1.213 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.643 -2.822 8.611 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.328 -4.022 8.601 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.993 -4.529 8.973 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.255 1.967 2.961 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -1.846 1.210 2.712 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.404 1.846 4.314 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.208 0.030 -2.311 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.144 -1.122 -2.198 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.892 0.082 -0.913 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.642 -7.343 -1.365 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.850 -7.936 -2.488 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.690 -6.523 8.698 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.898 -7.605 7.301 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.283 -7.238 8.356 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.743 0.540 5.474 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.688 -1.135 6.071 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.825 0.216 7.222 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 2.194 -0.940 -3.882 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.318 -1.536 -2.677 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.972 -6.145 -1.504 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.556 -7.491 -0.546 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.842 -3.791 -3.067 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.636 -2.583 -3.465 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.617 -6.559 4.437 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.816 -2.099 6.991 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.538 0.081 1.058 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.921 -4.768 -1.519 1.00 0.00 H new HETATM 0 H2D HEC A 105 3.527 -10.796 -1.668 1.00 0.00 H new HETATM 0 H2A HEC A 105 5.103 -2.453 -5.468 1.00 0.00 H new