USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=30 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 55 LYS NZ :NH3+ 148:sc= 1.4 (180deg=0) USER MOD Set 1.2: A 74 TYR OH : rot 110:sc= 0.972 USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 ASN : amide:sc= 0.0335 K(o=3.3,f=1.1!) USER MOD Set 2.3: A 67 TYR OH : rot -127:sc= 1.31 USER MOD Set 2.4: A 78 THR OG1 : rot 171:sc= 0.865 USER MOD Set 2.5: A 105 HEC O2D : rot -85:sc= 1.05 USER MOD Set 3.1: A 26 HIS : no HD1:sc= -0.734 K(o=-1.5,f=-0.89) USER MOD Set 3.2: A 31 ASN : amide:sc= -0.789 K(o=-1.5,f=-4.4!) USER MOD Set 3.3: A 33 HIS : no HE2:sc= 0.0135 K(o=-1.5,f=-6.8!) USER MOD Single : A 1 GLY N :NH3+ -131:sc= -1.68! (180deg=-3.8!) USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= -0.226 (180deg=-0.246) USER MOD Single : A 7 LYS NZ :NH3+ -148:sc= 0.0448! (180deg=-0.687!) 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=-0.11) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.0703 (180deg=-0.366) USER MOD Single : A 16 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.03) USER MOD Single : A 19 THR OG1 : rot -38:sc= 0.915 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.54 (180deg=-1.06) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -116:sc= 1.46 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 47 THR OG1 : rot 122:sc= 1.11 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0681 X(o=-0.068,f=-0.068) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 1.14 (180deg=0.921) USER MOD Single : A 63 THR OG1 : rot 20:sc= 0.925 USER MOD Single : A 65 MET CE :methyl 170:sc= -0.0532 (180deg=-0.221) USER MOD Single : A 70 ASN : amide:sc= 0.753 K(o=0.75,f=-0.079) USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= -0.142 (180deg=-0.159) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 169:sc= -0.213 (180deg=-0.238) USER MOD Single : A 86 LYS NZ :NH3+ -155:sc= 0.233 (180deg=-0.691!) 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 -66:sc= 1.06 USER MOD Single : A 97 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -125:sc= 2.26 (180deg=-1.73) USER MOD Single : A 100 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.01) USER MOD Single : A 102 THR OG1 : rot -45:sc= 1.28 USER MOD Single : A 103 ASN : amide:sc=-0.00498 X(o=-0.005,f=0) USER MOD Single : A 105 HEC O2A : rot -142:sc= 1.91 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.920 10.209 2.733 1.00 0.00 N ATOM 2 CA GLY A 1 -10.961 10.609 4.131 1.00 0.00 C ATOM 3 C GLY A 1 -9.884 11.660 4.287 1.00 0.00 C ATOM 4 O GLY A 1 -9.635 12.381 3.320 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.882 10.227 2.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.315 10.867 2.201 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.533 9.246 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.940 11.009 4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.776 9.759 4.787 1.00 0.00 H new ATOM 10 N ASP A 2 -9.241 11.726 5.439 1.00 0.00 N ATOM 11 CA ASP A 2 -8.326 12.789 5.781 1.00 0.00 C ATOM 12 C ASP A 2 -6.967 12.448 5.191 1.00 0.00 C ATOM 13 O ASP A 2 -6.415 11.383 5.451 1.00 0.00 O ATOM 14 CB ASP A 2 -8.208 12.900 7.300 1.00 0.00 C ATOM 15 CG ASP A 2 -9.402 13.549 7.988 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.539 13.353 7.507 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.141 14.235 9.000 1.00 0.00 O ATOM 0 H ASP A 2 -9.345 11.027 6.174 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.687 13.739 5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.067 11.901 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.313 13.473 7.540 1.00 0.00 H new ATOM 22 N VAL A 3 -6.393 13.376 4.434 1.00 0.00 N ATOM 23 CA VAL A 3 -5.056 13.221 3.886 1.00 0.00 C ATOM 24 C VAL A 3 -4.032 13.081 5.020 1.00 0.00 C ATOM 25 O VAL A 3 -3.163 12.205 5.001 1.00 0.00 O ATOM 26 CB VAL A 3 -4.781 14.381 2.909 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.761 15.765 3.576 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.479 14.172 2.131 1.00 0.00 C ATOM 0 H VAL A 3 -6.844 14.256 4.184 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.967 12.301 3.308 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.625 14.367 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.562 16.528 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.727 15.958 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.980 15.791 4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.321 15.011 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.644 14.108 2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.543 13.248 1.556 1.00 0.00 H new ATOM 38 N GLU A 4 -4.171 13.932 6.038 1.00 0.00 N ATOM 39 CA GLU A 4 -3.238 13.989 7.152 1.00 0.00 C ATOM 40 C GLU A 4 -3.458 12.808 8.070 1.00 0.00 C ATOM 41 O GLU A 4 -2.516 12.112 8.447 1.00 0.00 O ATOM 42 CB GLU A 4 -3.427 15.285 7.946 1.00 0.00 C ATOM 43 CG GLU A 4 -2.602 16.415 7.334 1.00 0.00 C ATOM 44 CD GLU A 4 -1.109 16.166 7.546 1.00 0.00 C ATOM 45 OE1 GLU A 4 -0.618 16.481 8.650 1.00 0.00 O ATOM 46 OE2 GLU A 4 -0.484 15.593 6.623 1.00 0.00 O ATOM 0 H GLU A 4 -4.938 14.601 6.108 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.225 13.960 6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.481 15.561 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.128 15.130 8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.816 16.492 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.886 17.366 7.786 1.00 0.00 H new ATOM 53 N LYS A 5 -4.712 12.598 8.467 1.00 0.00 N ATOM 54 CA LYS A 5 -4.977 11.506 9.382 1.00 0.00 C ATOM 55 C LYS A 5 -4.702 10.191 8.674 1.00 0.00 C ATOM 56 O LYS A 5 -4.179 9.300 9.321 1.00 0.00 O ATOM 57 CB LYS A 5 -6.332 11.575 10.086 1.00 0.00 C ATOM 58 CG LYS A 5 -6.565 12.974 10.674 1.00 0.00 C ATOM 59 CD LYS A 5 -7.615 12.977 11.794 1.00 0.00 C ATOM 60 CE LYS A 5 -6.989 12.822 13.190 1.00 0.00 C ATOM 61 NZ LYS A 5 -6.214 11.573 13.331 1.00 0.00 N ATOM 0 H LYS A 5 -5.524 13.146 8.181 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.288 11.595 10.222 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.127 11.334 9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.374 10.829 10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.623 13.362 11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.884 13.649 9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.181 13.908 11.755 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.324 12.166 11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.338 13.673 13.388 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.778 12.842 13.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.857 11.494 14.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.826 10.759 13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.413 11.585 12.668 1.00 0.00 H new ATOM 75 N GLY A 6 -4.930 10.085 7.362 1.00 0.00 N ATOM 76 CA GLY A 6 -4.413 8.964 6.590 1.00 0.00 C ATOM 77 C GLY A 6 -2.913 8.815 6.831 1.00 0.00 C ATOM 78 O GLY A 6 -2.481 7.773 7.321 1.00 0.00 O ATOM 0 H GLY A 6 -5.467 10.761 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.929 8.047 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.606 9.122 5.529 1.00 0.00 H new ATOM 82 N LYS A 7 -2.117 9.854 6.543 1.00 0.00 N ATOM 83 CA LYS A 7 -0.680 9.825 6.702 1.00 0.00 C ATOM 84 C LYS A 7 -0.249 9.390 8.099 1.00 0.00 C ATOM 85 O LYS A 7 0.682 8.600 8.258 1.00 0.00 O ATOM 86 CB LYS A 7 -0.100 11.191 6.286 1.00 0.00 C ATOM 87 CG LYS A 7 1.420 11.064 6.209 1.00 0.00 C ATOM 88 CD LYS A 7 2.152 12.088 5.325 1.00 0.00 C ATOM 89 CE LYS A 7 2.554 13.398 6.021 1.00 0.00 C ATOM 90 NZ LYS A 7 1.584 14.493 5.811 1.00 0.00 N ATOM 0 H LYS A 7 -2.470 10.743 6.189 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.268 9.061 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.505 11.497 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.381 11.958 7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.820 11.139 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.661 10.065 5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.051 11.619 4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.514 12.330 4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.660 13.216 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.531 13.712 5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.086 15.404 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.094 14.353 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.888 14.494 6.584 1.00 0.00 H new ATOM 104 N LYS A 8 -0.920 9.914 9.113 1.00 0.00 N ATOM 105 CA LYS A 8 -0.506 9.744 10.492 1.00 0.00 C ATOM 106 C LYS A 8 -0.900 8.354 10.991 1.00 0.00 C ATOM 107 O LYS A 8 -0.097 7.673 11.627 1.00 0.00 O ATOM 108 CB LYS A 8 -1.080 10.890 11.341 1.00 0.00 C ATOM 109 CG LYS A 8 -0.244 11.199 12.593 1.00 0.00 C ATOM 110 CD LYS A 8 0.862 12.251 12.369 1.00 0.00 C ATOM 111 CE LYS A 8 1.990 11.778 11.435 1.00 0.00 C ATOM 112 NZ LYS A 8 3.145 12.703 11.418 1.00 0.00 N ATOM 0 H LYS A 8 -1.768 10.470 9.000 1.00 0.00 H new ATOM 0 HA LYS A 8 0.579 9.799 10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.148 11.788 10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.095 10.634 11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.908 11.549 13.383 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.214 10.276 12.948 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.413 13.153 11.953 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.292 12.524 13.333 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.326 10.790 11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.598 11.674 10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.874 12.336 10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.834 13.640 11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.539 12.784 12.377 1.00 0.00 H new ATOM 126 N ILE A 9 -2.124 7.922 10.678 1.00 0.00 N ATOM 127 CA ILE A 9 -2.651 6.627 11.066 1.00 0.00 C ATOM 128 C ILE A 9 -1.795 5.566 10.387 1.00 0.00 C ATOM 129 O ILE A 9 -1.351 4.607 11.018 1.00 0.00 O ATOM 130 CB ILE A 9 -4.132 6.567 10.639 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.978 7.432 11.596 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.678 5.139 10.596 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.394 7.711 11.077 1.00 0.00 C ATOM 0 H ILE A 9 -2.784 8.480 10.136 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.613 6.456 12.142 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.196 6.957 9.623 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.046 6.931 12.562 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.467 8.380 11.763 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.724 5.158 10.289 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.102 4.550 9.882 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.598 4.689 11.586 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.932 8.324 11.800 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.335 8.239 10.125 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.922 6.768 10.936 1.00 0.00 H new ATOM 145 N PHE A 10 -1.551 5.776 9.093 1.00 0.00 N ATOM 146 CA PHE A 10 -0.637 4.979 8.308 1.00 0.00 C ATOM 147 C PHE A 10 0.695 4.854 9.024 1.00 0.00 C ATOM 148 O PHE A 10 1.079 3.764 9.420 1.00 0.00 O ATOM 149 CB PHE A 10 -0.462 5.651 6.935 1.00 0.00 C ATOM 150 CG PHE A 10 0.680 5.132 6.099 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.510 4.008 5.288 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.958 5.683 6.253 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.627 3.402 4.695 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.077 5.068 5.695 1.00 0.00 C ATOM 155 CZ PHE A 10 2.910 3.931 4.891 1.00 0.00 C ATOM 0 H PHE A 10 -1.997 6.522 8.560 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.035 3.974 8.172 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.387 5.530 6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.320 6.721 7.089 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.478 3.607 5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.078 6.599 6.813 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.498 2.522 4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.065 5.464 5.880 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.766 3.465 4.425 1.00 0.00 H new ATOM 165 N VAL A 11 1.405 5.962 9.208 1.00 0.00 N ATOM 166 CA VAL A 11 2.733 5.943 9.781 1.00 0.00 C ATOM 167 C VAL A 11 2.702 5.210 11.125 1.00 0.00 C ATOM 168 O VAL A 11 3.633 4.481 11.452 1.00 0.00 O ATOM 169 CB VAL A 11 3.309 7.373 9.858 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.259 7.545 11.043 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.052 7.785 8.579 1.00 0.00 C ATOM 0 H VAL A 11 1.071 6.894 8.962 1.00 0.00 H new ATOM 0 HA VAL A 11 3.416 5.386 9.139 1.00 0.00 H new ATOM 0 HB VAL A 11 2.441 8.020 9.986 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.641 8.566 11.058 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.723 7.344 11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.091 6.848 10.946 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.435 8.799 8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.882 7.101 8.404 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.367 7.748 7.732 1.00 0.00 H new ATOM 181 N GLN A 12 1.620 5.371 11.889 1.00 0.00 N ATOM 182 CA GLN A 12 1.442 4.646 13.129 1.00 0.00 C ATOM 183 C GLN A 12 1.622 3.133 12.925 1.00 0.00 C ATOM 184 O GLN A 12 2.341 2.514 13.707 1.00 0.00 O ATOM 185 CB GLN A 12 0.078 4.995 13.744 1.00 0.00 C ATOM 186 CG GLN A 12 0.136 5.020 15.273 1.00 0.00 C ATOM 187 CD GLN A 12 -1.263 5.127 15.876 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.116 5.855 15.380 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.531 4.378 16.942 1.00 0.00 N ATOM 0 H GLN A 12 0.854 6.004 11.660 1.00 0.00 H new ATOM 0 HA GLN A 12 2.216 4.952 13.833 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.249 5.968 13.376 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.665 4.266 13.420 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.623 4.115 15.636 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.743 5.863 15.603 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.807 3.779 17.339 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.460 4.403 17.362 1.00 0.00 H new ATOM 198 N LYS A 13 0.918 2.520 11.955 1.00 0.00 N ATOM 199 CA LYS A 13 0.799 1.047 11.895 1.00 0.00 C ATOM 200 C LYS A 13 1.288 0.374 10.607 1.00 0.00 C ATOM 201 O LYS A 13 1.314 -0.855 10.536 1.00 0.00 O ATOM 202 CB LYS A 13 -0.655 0.649 12.146 1.00 0.00 C ATOM 203 CG LYS A 13 -1.103 1.192 13.508 1.00 0.00 C ATOM 204 CD LYS A 13 -2.431 1.934 13.426 1.00 0.00 C ATOM 205 CE LYS A 13 -3.608 1.036 13.836 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.567 0.661 15.264 1.00 0.00 N ATOM 0 H LYS A 13 0.427 3.013 11.209 1.00 0.00 H new ATOM 0 HA LYS A 13 1.473 0.685 12.671 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.294 1.045 11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.756 -0.436 12.124 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.194 0.366 14.214 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.338 1.863 13.899 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.399 2.811 14.073 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.585 2.294 12.409 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.544 1.553 13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.600 0.132 13.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.526 0.424 15.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.946 -0.164 15.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.200 1.458 15.822 1.00 0.00 H new ATOM 220 N CYS A 14 1.649 1.148 9.591 1.00 0.00 N ATOM 221 CA CYS A 14 2.029 0.666 8.271 1.00 0.00 C ATOM 222 C CYS A 14 3.539 0.877 8.117 1.00 0.00 C ATOM 223 O CYS A 14 4.239 0.003 7.615 1.00 0.00 O ATOM 224 CB CYS A 14 1.289 1.408 7.180 1.00 0.00 C ATOM 225 SG CYS A 14 -0.543 1.479 7.241 1.00 0.00 S ATOM 0 H CYS A 14 1.686 2.164 9.667 1.00 0.00 H new ATOM 0 HA CYS A 14 1.770 -0.389 8.177 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.658 2.433 7.170 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.570 0.959 6.227 1.00 0.00 H new ATOM 230 N ALA A 15 4.057 2.030 8.569 1.00 0.00 N ATOM 231 CA ALA A 15 5.462 2.417 8.413 1.00 0.00 C ATOM 232 C ALA A 15 6.474 1.418 8.954 1.00 0.00 C ATOM 233 O ALA A 15 7.591 1.361 8.439 1.00 0.00 O ATOM 234 CB ALA A 15 5.729 3.758 9.063 1.00 0.00 C ATOM 0 H ALA A 15 3.500 2.729 9.061 1.00 0.00 H new ATOM 0 HA ALA A 15 5.604 2.459 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.778 4.023 8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.103 4.519 8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.498 3.699 10.127 1.00 0.00 H new ATOM 240 N GLN A 16 6.095 0.656 9.984 1.00 0.00 N ATOM 241 CA GLN A 16 6.866 -0.472 10.485 1.00 0.00 C ATOM 242 C GLN A 16 7.400 -1.341 9.339 1.00 0.00 C ATOM 243 O GLN A 16 8.513 -1.853 9.413 1.00 0.00 O ATOM 244 CB GLN A 16 6.001 -1.290 11.458 1.00 0.00 C ATOM 245 CG GLN A 16 4.585 -1.598 10.945 1.00 0.00 C ATOM 246 CD GLN A 16 3.929 -2.699 11.769 1.00 0.00 C ATOM 247 OE1 GLN A 16 3.392 -2.447 12.843 1.00 0.00 O ATOM 248 NE2 GLN A 16 3.981 -3.935 11.281 1.00 0.00 N ATOM 0 H GLN A 16 5.228 0.813 10.498 1.00 0.00 H new ATOM 0 HA GLN A 16 7.736 -0.094 11.021 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.509 -2.230 11.673 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.923 -0.747 12.400 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.975 -0.695 10.988 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.632 -1.902 9.899 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.435 -4.111 10.385 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.567 -4.707 11.803 1.00 0.00 H new ATOM 257 N CYS A 17 6.588 -1.498 8.290 1.00 0.00 N ATOM 258 CA CYS A 17 6.899 -2.240 7.088 1.00 0.00 C ATOM 259 C CYS A 17 7.167 -1.280 5.913 1.00 0.00 C ATOM 260 O CYS A 17 7.959 -1.621 5.038 1.00 0.00 O ATOM 261 CB CYS A 17 5.766 -3.196 6.804 1.00 0.00 C ATOM 262 SG CYS A 17 5.539 -4.431 8.134 1.00 0.00 S ATOM 0 H CYS A 17 5.654 -1.088 8.265 1.00 0.00 H new ATOM 0 HA CYS A 17 7.812 -2.820 7.226 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.842 -2.631 6.676 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.958 -3.712 5.863 1.00 0.00 H new ATOM 267 N HIS A 18 6.538 -0.092 5.879 1.00 0.00 N ATOM 268 CA HIS A 18 6.550 0.822 4.732 1.00 0.00 C ATOM 269 C HIS A 18 6.899 2.252 5.128 1.00 0.00 C ATOM 270 O HIS A 18 6.018 3.108 5.154 1.00 0.00 O ATOM 271 CB HIS A 18 5.149 0.878 4.122 1.00 0.00 C ATOM 272 CG HIS A 18 4.694 -0.404 3.528 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.938 -0.793 2.237 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.679 -1.166 4.029 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.093 -1.797 1.973 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.315 -2.070 3.028 1.00 0.00 N ATOM 0 H HIS A 18 5.997 0.264 6.667 1.00 0.00 H new ATOM 0 HA HIS A 18 7.300 0.443 4.038 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.441 1.180 4.893 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.130 1.649 3.352 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.629 -0.395 1.601 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.240 -1.086 5.013 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.045 -2.320 1.029 1.00 0.00 H new ATOM 284 N THR A 19 8.156 2.571 5.408 1.00 0.00 N ATOM 285 CA THR A 19 8.512 3.919 5.836 1.00 0.00 C ATOM 286 C THR A 19 8.575 4.907 4.646 1.00 0.00 C ATOM 287 O THR A 19 9.615 5.511 4.365 1.00 0.00 O ATOM 288 CB THR A 19 9.815 3.815 6.633 1.00 0.00 C ATOM 289 OG1 THR A 19 9.856 2.610 7.379 1.00 0.00 O ATOM 290 CG2 THR A 19 10.026 5.010 7.569 1.00 0.00 C ATOM 0 H THR A 19 8.940 1.922 5.348 1.00 0.00 H new ATOM 0 HA THR A 19 7.741 4.340 6.481 1.00 0.00 H new ATOM 0 HB THR A 19 10.625 3.818 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.963 2.412 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.964 4.887 8.111 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.063 5.929 6.984 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.201 5.066 8.280 1.00 0.00 H new ATOM 298 N VAL A 20 7.453 5.096 3.938 1.00 0.00 N ATOM 299 CA VAL A 20 7.283 6.057 2.869 1.00 0.00 C ATOM 300 C VAL A 20 7.180 7.457 3.477 1.00 0.00 C ATOM 301 O VAL A 20 6.090 7.984 3.693 1.00 0.00 O ATOM 302 CB VAL A 20 6.092 5.648 1.988 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.720 5.737 2.657 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.090 6.466 0.697 1.00 0.00 C ATOM 0 H VAL A 20 6.608 4.552 4.112 1.00 0.00 H new ATOM 0 HA VAL A 20 8.144 6.075 2.201 1.00 0.00 H new ATOM 0 HB VAL A 20 6.244 4.588 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.950 5.427 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.697 5.083 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.533 6.765 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.242 6.169 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.010 7.526 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.017 6.287 0.152 1.00 0.00 H new ATOM 314 N GLU A 21 8.342 8.030 3.786 1.00 0.00 N ATOM 315 CA GLU A 21 8.480 9.408 4.231 1.00 0.00 C ATOM 316 C GLU A 21 9.766 9.994 3.644 1.00 0.00 C ATOM 317 O GLU A 21 9.768 11.115 3.146 1.00 0.00 O ATOM 318 CB GLU A 21 8.428 9.471 5.766 1.00 0.00 C ATOM 319 CG GLU A 21 8.131 10.892 6.264 1.00 0.00 C ATOM 320 CD GLU A 21 8.018 10.938 7.783 1.00 0.00 C ATOM 321 OE1 GLU A 21 9.056 10.662 8.423 1.00 0.00 O ATOM 322 OE2 GLU A 21 6.906 11.237 8.273 1.00 0.00 O ATOM 0 H GLU A 21 9.232 7.534 3.731 1.00 0.00 H new ATOM 0 HA GLU A 21 7.651 10.018 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.661 8.789 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.379 9.132 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.922 11.567 5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.203 11.249 5.818 1.00 0.00 H new ATOM 329 N LYS A 22 10.865 9.224 3.667 1.00 0.00 N ATOM 330 CA LYS A 22 12.127 9.652 3.081 1.00 0.00 C ATOM 331 C LYS A 22 12.880 8.499 2.410 1.00 0.00 C ATOM 332 O LYS A 22 14.089 8.373 2.585 1.00 0.00 O ATOM 333 CB LYS A 22 12.957 10.350 4.165 1.00 0.00 C ATOM 334 CG LYS A 22 13.327 9.423 5.340 1.00 0.00 C ATOM 335 CD LYS A 22 14.817 9.500 5.706 1.00 0.00 C ATOM 336 CE LYS A 22 15.194 10.744 6.526 1.00 0.00 C ATOM 337 NZ LYS A 22 14.841 12.007 5.848 1.00 0.00 N ATOM 0 H LYS A 22 10.896 8.297 4.090 1.00 0.00 H new ATOM 0 HA LYS A 22 11.928 10.360 2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.871 10.741 3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.398 11.204 4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.728 9.690 6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.073 8.395 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.089 8.608 6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.407 9.489 4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.690 10.703 7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.266 10.731 6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.293 12.804 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.172 11.976 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.809 12.132 5.863 1.00 0.00 H new ATOM 351 N GLY A 23 12.167 7.667 1.643 1.00 0.00 N ATOM 352 CA GLY A 23 12.762 6.604 0.839 1.00 0.00 C ATOM 353 C GLY A 23 13.692 5.698 1.650 1.00 0.00 C ATOM 354 O GLY A 23 14.895 5.674 1.412 1.00 0.00 O ATOM 0 H GLY A 23 11.151 7.717 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.969 6.001 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.321 7.047 0.015 1.00 0.00 H new ATOM 358 N GLY A 24 13.124 4.959 2.611 1.00 0.00 N ATOM 359 CA GLY A 24 13.881 4.129 3.540 1.00 0.00 C ATOM 360 C GLY A 24 14.514 2.900 2.884 1.00 0.00 C ATOM 361 O GLY A 24 15.539 2.980 2.210 1.00 0.00 O ATOM 0 H GLY A 24 12.116 4.924 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.666 4.732 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.221 3.803 4.344 1.00 0.00 H new ATOM 365 N LYS A 25 13.932 1.734 3.155 1.00 0.00 N ATOM 366 CA LYS A 25 14.359 0.443 2.646 1.00 0.00 C ATOM 367 C LYS A 25 13.119 -0.407 2.393 1.00 0.00 C ATOM 368 O LYS A 25 12.028 -0.048 2.833 1.00 0.00 O ATOM 369 CB LYS A 25 15.299 -0.240 3.654 1.00 0.00 C ATOM 370 CG LYS A 25 16.674 0.431 3.796 1.00 0.00 C ATOM 371 CD LYS A 25 17.506 0.332 2.506 1.00 0.00 C ATOM 372 CE LYS A 25 18.860 1.032 2.678 1.00 0.00 C ATOM 373 NZ LYS A 25 19.664 0.989 1.438 1.00 0.00 N ATOM 0 H LYS A 25 13.115 1.666 3.762 1.00 0.00 H new ATOM 0 HA LYS A 25 14.910 0.568 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.814 -0.257 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.444 -1.277 3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.539 1.480 4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.221 -0.035 4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.663 -0.715 2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.959 0.785 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.698 2.070 2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.414 0.556 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.571 1.472 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.841 -0.001 1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.146 1.465 0.672 1.00 0.00 H new ATOM 387 N HIS A 26 13.293 -1.507 1.654 1.00 0.00 N ATOM 388 CA HIS A 26 12.206 -2.323 1.132 1.00 0.00 C ATOM 389 C HIS A 26 12.310 -3.715 1.753 1.00 0.00 C ATOM 390 O HIS A 26 12.540 -4.704 1.059 1.00 0.00 O ATOM 391 CB HIS A 26 12.281 -2.413 -0.396 1.00 0.00 C ATOM 392 CG HIS A 26 12.719 -1.159 -1.116 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.680 -1.117 -2.103 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.458 0.135 -0.750 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.986 0.172 -2.323 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.281 0.971 -1.507 1.00 0.00 N ATOM 0 H HIS A 26 14.216 -1.858 1.400 1.00 0.00 H new ATOM 0 HA HIS A 26 11.249 -1.869 1.389 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.968 -3.217 -0.659 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.298 -2.698 -0.771 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.742 0.453 -0.007 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.701 0.518 -3.055 1.00 0.00 H new ATOM 0 HE2 HIS A 26 13.336 1.988 -1.451 1.00 0.00 H new ATOM 404 N LYS A 27 12.231 -3.783 3.080 1.00 0.00 N ATOM 405 CA LYS A 27 12.323 -5.050 3.788 1.00 0.00 C ATOM 406 C LYS A 27 10.947 -5.703 3.771 1.00 0.00 C ATOM 407 O LYS A 27 10.574 -6.344 2.793 1.00 0.00 O ATOM 408 CB LYS A 27 12.889 -4.835 5.201 1.00 0.00 C ATOM 409 CG LYS A 27 14.415 -4.661 5.228 1.00 0.00 C ATOM 410 CD LYS A 27 15.142 -5.915 4.711 1.00 0.00 C ATOM 411 CE LYS A 27 16.596 -5.962 5.198 1.00 0.00 C ATOM 412 NZ LYS A 27 17.324 -7.123 4.641 1.00 0.00 N ATOM 0 H LYS A 27 12.103 -2.971 3.685 1.00 0.00 H new ATOM 0 HA LYS A 27 13.020 -5.729 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.423 -3.953 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.617 -5.685 5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.694 -3.802 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.739 -4.447 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.615 -6.808 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.122 -5.926 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.105 -5.042 4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.613 -6.010 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.303 -7.120 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.853 -8.002 4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.329 -7.064 3.603 1.00 0.00 H new ATOM 426 N THR A 28 10.169 -5.527 4.835 1.00 0.00 N ATOM 427 CA THR A 28 8.883 -6.177 4.974 1.00 0.00 C ATOM 428 C THR A 28 7.796 -5.480 4.149 1.00 0.00 C ATOM 429 O THR A 28 6.628 -5.759 4.375 1.00 0.00 O ATOM 430 CB THR A 28 8.522 -6.194 6.471 1.00 0.00 C ATOM 431 OG1 THR A 28 9.700 -6.107 7.257 1.00 0.00 O ATOM 432 CG2 THR A 28 7.771 -7.476 6.849 1.00 0.00 C ATOM 0 H THR A 28 10.418 -4.928 5.622 1.00 0.00 H new ATOM 0 HA THR A 28 8.946 -7.195 4.589 1.00 0.00 H new ATOM 0 HB THR A 28 7.877 -5.337 6.664 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.461 -6.117 8.207 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.531 -7.457 7.912 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.850 -7.542 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.398 -8.342 6.634 1.00 0.00 H new ATOM 440 N GLY A 29 8.137 -4.577 3.223 1.00 0.00 N ATOM 441 CA GLY A 29 7.171 -3.723 2.568 1.00 0.00 C ATOM 442 C GLY A 29 7.967 -2.676 1.789 1.00 0.00 C ATOM 443 O GLY A 29 8.967 -2.178 2.301 1.00 0.00 O ATOM 0 H GLY A 29 9.097 -4.426 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.534 -4.301 1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.517 -3.247 3.299 1.00 0.00 H new ATOM 447 N PRO A 30 7.614 -2.381 0.532 1.00 0.00 N ATOM 448 CA PRO A 30 8.331 -1.402 -0.262 1.00 0.00 C ATOM 449 C PRO A 30 7.913 0.008 0.138 1.00 0.00 C ATOM 450 O PRO A 30 6.744 0.263 0.425 1.00 0.00 O ATOM 451 CB PRO A 30 7.968 -1.700 -1.717 1.00 0.00 C ATOM 452 CG PRO A 30 6.596 -2.368 -1.611 1.00 0.00 C ATOM 453 CD PRO A 30 6.652 -3.102 -0.274 1.00 0.00 C ATOM 0 HA PRO A 30 9.409 -1.461 -0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.926 -0.790 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.700 -2.357 -2.187 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.791 -1.634 -1.631 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.421 -3.056 -2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.673 -3.117 0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.956 -4.140 -0.410 1.00 0.00 H new ATOM 461 N ASN A 31 8.862 0.943 0.110 1.00 0.00 N ATOM 462 CA ASN A 31 8.547 2.363 0.176 1.00 0.00 C ATOM 463 C ASN A 31 7.537 2.719 -0.926 1.00 0.00 C ATOM 464 O ASN A 31 7.809 2.561 -2.115 1.00 0.00 O ATOM 465 CB ASN A 31 9.824 3.213 0.081 1.00 0.00 C ATOM 466 CG ASN A 31 10.526 3.132 -1.276 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.540 2.090 -1.922 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.106 4.237 -1.735 1.00 0.00 N ATOM 0 H ASN A 31 9.859 0.738 0.042 1.00 0.00 H new ATOM 0 HA ASN A 31 8.091 2.586 1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.572 4.253 0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.519 2.894 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.574 4.228 -2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.082 5.093 -1.181 1.00 0.00 H new ATOM 475 N LEU A 32 6.356 3.207 -0.550 1.00 0.00 N ATOM 476 CA LEU A 32 5.238 3.420 -1.466 1.00 0.00 C ATOM 477 C LEU A 32 5.401 4.711 -2.296 1.00 0.00 C ATOM 478 O LEU A 32 4.446 5.452 -2.521 1.00 0.00 O ATOM 479 CB LEU A 32 3.922 3.396 -0.669 1.00 0.00 C ATOM 480 CG LEU A 32 3.746 2.170 0.248 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.539 2.380 1.166 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.546 0.891 -0.570 1.00 0.00 C ATOM 0 H LEU A 32 6.146 3.469 0.413 1.00 0.00 H new ATOM 0 HA LEU A 32 5.219 2.610 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.865 4.299 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.088 3.431 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 32 4.652 2.060 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.418 1.511 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.697 3.268 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.641 2.511 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.425 0.043 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.656 0.991 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.415 0.727 -1.207 1.00 0.00 H new ATOM 494 N HIS A 33 6.620 4.968 -2.775 1.00 0.00 N ATOM 495 CA HIS A 33 7.022 6.152 -3.522 1.00 0.00 C ATOM 496 C HIS A 33 6.531 6.087 -4.974 1.00 0.00 C ATOM 497 O HIS A 33 7.324 6.040 -5.911 1.00 0.00 O ATOM 498 CB HIS A 33 8.550 6.309 -3.417 1.00 0.00 C ATOM 499 CG HIS A 33 9.377 5.264 -4.140 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.194 3.896 -4.128 1.00 0.00 N ATOM 501 CD2 HIS A 33 10.456 5.519 -4.945 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.154 3.348 -4.890 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.950 4.295 -5.408 1.00 0.00 N ATOM 0 H HIS A 33 7.393 4.316 -2.642 1.00 0.00 H new ATOM 0 HA HIS A 33 6.556 7.038 -3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.822 7.291 -3.805 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.825 6.295 -2.362 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.461 3.392 -3.630 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.855 6.494 -5.181 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.270 2.288 -5.062 1.00 0.00 H new ATOM 511 N GLY A 34 5.212 6.058 -5.164 1.00 0.00 N ATOM 512 CA GLY A 34 4.599 5.964 -6.482 1.00 0.00 C ATOM 513 C GLY A 34 3.815 4.666 -6.579 1.00 0.00 C ATOM 514 O GLY A 34 4.395 3.624 -6.885 1.00 0.00 O ATOM 0 H GLY A 34 4.537 6.100 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.939 6.815 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.366 5.998 -7.256 1.00 0.00 H new ATOM 518 N LEU A 35 2.509 4.730 -6.312 1.00 0.00 N ATOM 519 CA LEU A 35 1.572 3.616 -6.402 1.00 0.00 C ATOM 520 C LEU A 35 0.566 3.889 -7.519 1.00 0.00 C ATOM 521 O LEU A 35 0.419 3.086 -8.437 1.00 0.00 O ATOM 522 CB LEU A 35 0.862 3.399 -5.053 1.00 0.00 C ATOM 523 CG LEU A 35 1.554 2.357 -4.153 1.00 0.00 C ATOM 524 CD1 LEU A 35 1.292 0.926 -4.625 1.00 0.00 C ATOM 525 CD2 LEU A 35 3.068 2.544 -4.060 1.00 0.00 C ATOM 0 H LEU A 35 2.060 5.597 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 35 2.116 2.702 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.811 4.349 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.164 3.082 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 35 1.116 2.519 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.799 0.225 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.220 0.729 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.670 0.803 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.490 1.777 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.507 2.460 -5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.288 3.529 -3.648 1.00 0.00 H new ATOM 537 N PHE A 36 -0.116 5.032 -7.467 1.00 0.00 N ATOM 538 CA PHE A 36 -1.198 5.331 -8.391 1.00 0.00 C ATOM 539 C PHE A 36 -0.597 5.590 -9.766 1.00 0.00 C ATOM 540 O PHE A 36 0.051 6.615 -9.959 1.00 0.00 O ATOM 541 CB PHE A 36 -2.009 6.532 -7.892 1.00 0.00 C ATOM 542 CG PHE A 36 -2.849 6.244 -6.657 1.00 0.00 C ATOM 543 CD1 PHE A 36 -2.235 6.027 -5.409 1.00 0.00 C ATOM 544 CD2 PHE A 36 -4.243 6.084 -6.777 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.986 5.569 -4.316 1.00 0.00 C ATOM 546 CE2 PHE A 36 -5.002 5.674 -5.667 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.367 5.363 -4.456 1.00 0.00 C ATOM 0 H PHE A 36 0.067 5.769 -6.787 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.885 4.488 -8.457 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.325 7.352 -7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.665 6.872 -8.693 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.178 6.214 -5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.729 6.276 -7.722 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.503 5.376 -3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.076 5.598 -5.747 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.940 4.965 -3.632 1.00 0.00 H new ATOM 557 N GLY A 37 -0.784 4.658 -10.707 1.00 0.00 N ATOM 558 CA GLY A 37 -0.157 4.752 -12.022 1.00 0.00 C ATOM 559 C GLY A 37 1.077 3.851 -12.130 1.00 0.00 C ATOM 560 O GLY A 37 1.614 3.666 -13.222 1.00 0.00 O ATOM 0 H GLY A 37 -1.366 3.830 -10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.879 4.473 -12.790 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.130 5.786 -12.215 1.00 0.00 H new ATOM 564 N ARG A 38 1.545 3.281 -11.016 1.00 0.00 N ATOM 565 CA ARG A 38 2.714 2.425 -10.999 1.00 0.00 C ATOM 566 C ARG A 38 2.326 1.061 -11.564 1.00 0.00 C ATOM 567 O ARG A 38 1.611 0.299 -10.911 1.00 0.00 O ATOM 568 CB ARG A 38 3.230 2.299 -9.562 1.00 0.00 C ATOM 569 CG ARG A 38 4.597 1.618 -9.479 1.00 0.00 C ATOM 570 CD ARG A 38 5.734 2.632 -9.685 1.00 0.00 C ATOM 571 NE ARG A 38 7.032 2.079 -9.275 1.00 0.00 N ATOM 572 CZ ARG A 38 7.399 1.821 -8.008 1.00 0.00 C ATOM 573 NH1 ARG A 38 6.591 2.101 -6.981 1.00 0.00 N ATOM 574 NH2 ARG A 38 8.587 1.262 -7.775 1.00 0.00 N ATOM 0 H ARG A 38 1.114 3.407 -10.100 1.00 0.00 H new ATOM 0 HA ARG A 38 3.511 2.849 -11.611 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.296 3.292 -9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.511 1.732 -8.971 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.708 1.135 -8.508 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.663 0.835 -10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.777 2.923 -10.734 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.525 3.535 -9.112 1.00 0.00 H new ATOM 0 HE ARG A 38 7.709 1.875 -10.010 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.676 2.519 -7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.889 1.897 -6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.205 1.035 -8.554 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.877 1.061 -6.818 1.00 0.00 H new ATOM 588 N LYS A 39 2.818 0.754 -12.768 1.00 0.00 N ATOM 589 CA LYS A 39 2.649 -0.546 -13.394 1.00 0.00 C ATOM 590 C LYS A 39 3.124 -1.642 -12.432 1.00 0.00 C ATOM 591 O LYS A 39 4.323 -1.851 -12.241 1.00 0.00 O ATOM 592 CB LYS A 39 3.347 -0.557 -14.763 1.00 0.00 C ATOM 593 CG LYS A 39 4.884 -0.508 -14.695 1.00 0.00 C ATOM 594 CD LYS A 39 5.483 0.192 -15.923 1.00 0.00 C ATOM 595 CE LYS A 39 5.529 1.713 -15.706 1.00 0.00 C ATOM 596 NZ LYS A 39 5.948 2.444 -16.920 1.00 0.00 N ATOM 0 H LYS A 39 3.350 1.414 -13.336 1.00 0.00 H new ATOM 0 HA LYS A 39 1.598 -0.753 -13.594 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.048 -1.456 -15.302 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.994 0.295 -15.344 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.192 0.016 -13.790 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.278 -1.522 -14.625 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.488 -0.185 -16.110 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.887 -0.037 -16.806 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.544 2.063 -15.397 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.218 1.940 -14.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.963 3.465 -16.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.899 2.132 -17.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.277 2.250 -17.691 1.00 0.00 H new ATOM 610 N THR A 40 2.177 -2.291 -11.762 1.00 0.00 N ATOM 611 CA THR A 40 2.425 -3.327 -10.800 1.00 0.00 C ATOM 612 C THR A 40 2.931 -4.570 -11.538 1.00 0.00 C ATOM 613 O THR A 40 2.961 -4.615 -12.767 1.00 0.00 O ATOM 614 CB THR A 40 1.084 -3.536 -10.100 1.00 0.00 C ATOM 615 OG1 THR A 40 0.503 -2.272 -9.789 1.00 0.00 O ATOM 616 CG2 THR A 40 1.203 -4.398 -8.850 1.00 0.00 C ATOM 0 H THR A 40 1.184 -2.093 -11.888 1.00 0.00 H new ATOM 0 HA THR A 40 3.191 -3.086 -10.063 1.00 0.00 H new ATOM 0 HB THR A 40 0.434 -4.078 -10.787 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.431 -2.175 -8.816 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.220 -4.514 -8.393 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.595 -5.378 -9.120 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.879 -3.920 -8.141 1.00 0.00 H new ATOM 624 N GLY A 41 3.336 -5.596 -10.794 1.00 0.00 N ATOM 625 CA GLY A 41 3.804 -6.834 -11.389 1.00 0.00 C ATOM 626 C GLY A 41 5.211 -6.699 -11.981 1.00 0.00 C ATOM 627 O GLY A 41 5.579 -7.424 -12.902 1.00 0.00 O ATOM 0 H GLY A 41 3.347 -5.589 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.804 -7.620 -10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.111 -7.143 -12.172 1.00 0.00 H new ATOM 631 N GLN A 42 6.005 -5.772 -11.436 1.00 0.00 N ATOM 632 CA GLN A 42 7.379 -5.515 -11.840 1.00 0.00 C ATOM 633 C GLN A 42 8.221 -5.364 -10.569 1.00 0.00 C ATOM 634 O GLN A 42 8.727 -6.352 -10.042 1.00 0.00 O ATOM 635 CB GLN A 42 7.404 -4.273 -12.752 1.00 0.00 C ATOM 636 CG GLN A 42 8.816 -3.891 -13.219 1.00 0.00 C ATOM 637 CD GLN A 42 8.881 -2.421 -13.619 1.00 0.00 C ATOM 638 OE1 GLN A 42 9.082 -1.556 -12.770 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.709 -2.116 -14.901 1.00 0.00 N ATOM 0 H GLN A 42 5.694 -5.164 -10.678 1.00 0.00 H new ATOM 0 HA GLN A 42 7.805 -6.334 -12.420 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.778 -4.459 -13.625 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.965 -3.430 -12.218 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.532 -4.086 -12.421 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.104 -4.515 -14.065 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.544 -2.856 -15.584 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.742 -1.142 -15.202 1.00 0.00 H new ATOM 648 N ALA A 43 8.317 -4.130 -10.060 1.00 0.00 N ATOM 649 CA ALA A 43 9.141 -3.707 -8.943 1.00 0.00 C ATOM 650 C ALA A 43 10.638 -3.721 -9.288 1.00 0.00 C ATOM 651 O ALA A 43 11.222 -4.791 -9.439 1.00 0.00 O ATOM 652 CB ALA A 43 8.822 -4.542 -7.716 1.00 0.00 C ATOM 0 H ALA A 43 7.781 -3.355 -10.451 1.00 0.00 H new ATOM 0 HA ALA A 43 8.901 -2.668 -8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.445 -4.217 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.771 -4.417 -7.454 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.020 -5.592 -7.929 1.00 0.00 H new ATOM 658 N PRO A 44 11.286 -2.551 -9.413 1.00 0.00 N ATOM 659 CA PRO A 44 12.681 -2.464 -9.825 1.00 0.00 C ATOM 660 C PRO A 44 13.677 -2.736 -8.691 1.00 0.00 C ATOM 661 O PRO A 44 14.873 -2.803 -8.960 1.00 0.00 O ATOM 662 CB PRO A 44 12.835 -1.042 -10.375 1.00 0.00 C ATOM 663 CG PRO A 44 11.844 -0.237 -9.536 1.00 0.00 C ATOM 664 CD PRO A 44 10.696 -1.224 -9.324 1.00 0.00 C ATOM 0 HA PRO A 44 12.912 -3.232 -10.563 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.854 -0.673 -10.259 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.597 -0.993 -11.438 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.282 0.083 -8.590 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.513 0.663 -10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.224 -1.071 -8.353 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.922 -1.090 -10.079 1.00 0.00 H new ATOM 672 N GLY A 45 13.217 -2.864 -7.439 1.00 0.00 N ATOM 673 CA GLY A 45 14.084 -3.064 -6.283 1.00 0.00 C ATOM 674 C GLY A 45 13.752 -4.369 -5.560 1.00 0.00 C ATOM 675 O GLY A 45 14.433 -5.375 -5.727 1.00 0.00 O ATOM 0 H GLY A 45 12.225 -2.831 -7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.125 -3.079 -6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.975 -2.226 -5.594 1.00 0.00 H new ATOM 679 N PHE A 46 12.700 -4.334 -4.741 1.00 0.00 N ATOM 680 CA PHE A 46 12.123 -5.489 -4.069 1.00 0.00 C ATOM 681 C PHE A 46 10.867 -5.820 -4.860 1.00 0.00 C ATOM 682 O PHE A 46 10.075 -4.911 -5.095 1.00 0.00 O ATOM 683 CB PHE A 46 11.791 -5.107 -2.614 1.00 0.00 C ATOM 684 CG PHE A 46 10.635 -5.848 -1.961 1.00 0.00 C ATOM 685 CD1 PHE A 46 9.324 -5.377 -2.153 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.853 -6.954 -1.117 1.00 0.00 C ATOM 687 CE1 PHE A 46 8.235 -6.062 -1.595 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.758 -7.600 -0.511 1.00 0.00 C ATOM 689 CZ PHE A 46 8.450 -7.171 -0.769 1.00 0.00 C ATOM 0 H PHE A 46 12.211 -3.466 -4.522 1.00 0.00 H new ATOM 0 HA PHE A 46 12.794 -6.347 -4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 46 12.683 -5.266 -2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.572 -4.040 -2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.155 -4.482 -2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.858 -7.306 -0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.228 -5.733 -1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.928 -8.431 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.611 -7.693 -0.333 1.00 0.00 H new ATOM 699 N THR A 47 10.698 -7.079 -5.271 1.00 0.00 N ATOM 700 CA THR A 47 9.441 -7.577 -5.811 1.00 0.00 C ATOM 701 C THR A 47 8.843 -8.598 -4.844 1.00 0.00 C ATOM 702 O THR A 47 9.422 -8.885 -3.798 1.00 0.00 O ATOM 703 CB THR A 47 9.591 -8.087 -7.253 1.00 0.00 C ATOM 704 OG1 THR A 47 8.323 -8.043 -7.885 1.00 0.00 O ATOM 705 CG2 THR A 47 10.155 -9.507 -7.316 1.00 0.00 C ATOM 0 H THR A 47 11.437 -7.782 -5.236 1.00 0.00 H new ATOM 0 HA THR A 47 8.730 -6.755 -5.893 1.00 0.00 H new ATOM 0 HB THR A 47 10.302 -7.441 -7.768 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.377 -7.484 -8.688 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.241 -9.819 -8.357 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.139 -9.529 -6.849 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.487 -10.187 -6.787 1.00 0.00 H new ATOM 713 N TYR A 48 7.662 -9.107 -5.191 1.00 0.00 N ATOM 714 CA TYR A 48 6.738 -9.740 -4.258 1.00 0.00 C ATOM 715 C TYR A 48 6.351 -11.140 -4.727 1.00 0.00 C ATOM 716 O TYR A 48 6.832 -11.611 -5.757 1.00 0.00 O ATOM 717 CB TYR A 48 5.515 -8.827 -4.037 1.00 0.00 C ATOM 718 CG TYR A 48 5.442 -7.585 -4.911 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.266 -6.493 -4.604 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.682 -7.564 -6.094 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.317 -5.375 -5.449 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.670 -6.414 -6.900 1.00 0.00 C ATOM 723 CZ TYR A 48 5.465 -5.306 -6.561 1.00 0.00 C ATOM 724 OH TYR A 48 5.615 -4.292 -7.460 1.00 0.00 O ATOM 0 H TYR A 48 7.316 -9.089 -6.150 1.00 0.00 H new ATOM 0 HA TYR A 48 7.232 -9.871 -3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.613 -9.416 -4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.505 -8.513 -2.993 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.868 -6.513 -3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.108 -8.432 -6.383 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.009 -4.571 -5.245 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.048 -6.381 -7.782 1.00 0.00 H new ATOM 0 HH TYR A 48 4.949 -4.386 -8.173 1.00 0.00 H new ATOM 734 N THR A 49 5.498 -11.814 -3.950 1.00 0.00 N ATOM 735 CA THR A 49 5.042 -13.160 -4.276 1.00 0.00 C ATOM 736 C THR A 49 4.401 -13.185 -5.658 1.00 0.00 C ATOM 737 O THR A 49 3.693 -12.248 -5.999 1.00 0.00 O ATOM 738 CB THR A 49 4.023 -13.666 -3.248 1.00 0.00 C ATOM 739 OG1 THR A 49 2.865 -12.851 -3.181 1.00 0.00 O ATOM 740 CG2 THR A 49 4.644 -13.766 -1.858 1.00 0.00 C ATOM 0 H THR A 49 5.109 -11.441 -3.084 1.00 0.00 H new ATOM 0 HA THR A 49 5.915 -13.812 -4.261 1.00 0.00 H new ATOM 0 HB THR A 49 3.722 -14.657 -3.588 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.247 -13.216 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.897 -14.127 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.485 -14.459 -1.884 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.994 -12.783 -1.544 1.00 0.00 H new ATOM 748 N ASP A 50 4.598 -14.258 -6.422 1.00 0.00 N ATOM 749 CA ASP A 50 4.105 -14.454 -7.784 1.00 0.00 C ATOM 750 C ASP A 50 2.640 -14.057 -7.937 1.00 0.00 C ATOM 751 O ASP A 50 2.269 -13.442 -8.927 1.00 0.00 O ATOM 752 CB ASP A 50 4.319 -15.923 -8.177 1.00 0.00 C ATOM 753 CG ASP A 50 5.765 -16.349 -7.967 1.00 0.00 C ATOM 754 OD1 ASP A 50 6.155 -16.385 -6.776 1.00 0.00 O ATOM 755 OD2 ASP A 50 6.450 -16.585 -8.984 1.00 0.00 O ATOM 0 H ASP A 50 5.136 -15.058 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 50 4.667 -13.801 -8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.661 -16.559 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.044 -16.065 -9.222 1.00 0.00 H new ATOM 760 N ALA A 51 1.802 -14.375 -6.952 1.00 0.00 N ATOM 761 CA ALA A 51 0.387 -14.028 -6.990 1.00 0.00 C ATOM 762 C ALA A 51 0.185 -12.514 -7.094 1.00 0.00 C ATOM 763 O ALA A 51 -0.735 -12.056 -7.768 1.00 0.00 O ATOM 764 CB ALA A 51 -0.314 -14.611 -5.760 1.00 0.00 C ATOM 0 H ALA A 51 2.085 -14.878 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.060 -14.462 -7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.372 -14.352 -5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.206 -15.696 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.136 -14.201 -4.856 1.00 0.00 H new ATOM 770 N ASN A 52 1.050 -11.734 -6.443 1.00 0.00 N ATOM 771 CA ASN A 52 1.067 -10.285 -6.569 1.00 0.00 C ATOM 772 C ASN A 52 1.798 -9.892 -7.857 1.00 0.00 C ATOM 773 O ASN A 52 1.289 -9.146 -8.689 1.00 0.00 O ATOM 774 CB ASN A 52 1.753 -9.692 -5.334 1.00 0.00 C ATOM 775 CG ASN A 52 1.575 -8.181 -5.214 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.321 -7.487 -6.193 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.703 -7.666 -4.000 1.00 0.00 N ATOM 0 H ASN A 52 1.762 -12.098 -5.810 1.00 0.00 H new ATOM 0 HA ASN A 52 0.052 -9.893 -6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.354 -10.170 -4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.817 -9.924 -5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.590 -6.662 -3.857 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.915 -8.273 -3.208 1.00 0.00 H new ATOM 784 N LYS A 53 3.006 -10.423 -8.043 1.00 0.00 N ATOM 785 CA LYS A 53 3.936 -10.033 -9.087 1.00 0.00 C ATOM 786 C LYS A 53 3.390 -10.369 -10.481 1.00 0.00 C ATOM 787 O LYS A 53 3.813 -9.784 -11.475 1.00 0.00 O ATOM 788 CB LYS A 53 5.308 -10.657 -8.791 1.00 0.00 C ATOM 789 CG LYS A 53 6.439 -10.098 -9.663 1.00 0.00 C ATOM 790 CD LYS A 53 6.748 -11.000 -10.865 1.00 0.00 C ATOM 791 CE LYS A 53 7.630 -10.237 -11.861 1.00 0.00 C ATOM 792 NZ LYS A 53 8.104 -11.105 -12.958 1.00 0.00 N ATOM 0 H LYS A 53 3.372 -11.164 -7.445 1.00 0.00 H new ATOM 0 HA LYS A 53 4.061 -8.950 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.554 -10.492 -7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.247 -11.735 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.164 -9.105 -10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.338 -9.982 -9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.255 -11.906 -10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.822 -11.312 -11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.067 -9.401 -12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.487 -9.815 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.696 -10.550 -13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.663 -11.889 -12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.287 -11.488 -13.475 1.00 0.00 H new ATOM 806 N ASN A 54 2.443 -11.301 -10.568 1.00 0.00 N ATOM 807 CA ASN A 54 1.771 -11.654 -11.806 1.00 0.00 C ATOM 808 C ASN A 54 0.703 -10.618 -12.190 1.00 0.00 C ATOM 809 O ASN A 54 0.317 -10.554 -13.352 1.00 0.00 O ATOM 810 CB ASN A 54 1.143 -13.046 -11.670 1.00 0.00 C ATOM 811 CG ASN A 54 0.440 -13.485 -12.950 1.00 0.00 C ATOM 812 OD1 ASN A 54 -0.784 -13.547 -13.004 1.00 0.00 O ATOM 813 ND2 ASN A 54 1.206 -13.818 -13.985 1.00 0.00 N ATOM 0 H ASN A 54 2.119 -11.838 -9.764 1.00 0.00 H new ATOM 0 HA ASN A 54 2.513 -11.665 -12.605 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.918 -13.770 -11.416 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.428 -13.042 -10.847 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.778 -14.136 -14.855 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.221 -13.756 -13.909 1.00 0.00 H new ATOM 820 N LYS A 55 0.191 -9.836 -11.226 1.00 0.00 N ATOM 821 CA LYS A 55 -1.039 -9.063 -11.376 1.00 0.00 C ATOM 822 C LYS A 55 -1.060 -8.163 -12.612 1.00 0.00 C ATOM 823 O LYS A 55 -2.048 -8.142 -13.340 1.00 0.00 O ATOM 824 CB LYS A 55 -1.260 -8.193 -10.132 1.00 0.00 C ATOM 825 CG LYS A 55 -1.725 -8.982 -8.902 1.00 0.00 C ATOM 826 CD LYS A 55 -3.212 -8.775 -8.583 1.00 0.00 C ATOM 827 CE LYS A 55 -4.149 -9.278 -9.689 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.563 -9.086 -9.311 1.00 0.00 N ATOM 0 H LYS A 55 0.630 -9.726 -10.312 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.838 -9.794 -11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.331 -7.676 -9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.000 -7.427 -10.362 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.539 -10.043 -9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.129 -8.684 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.451 -9.290 -7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.396 -7.714 -8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.941 -8.745 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.960 -10.335 -9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.129 -8.903 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.916 -9.943 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.642 -8.276 -8.663 1.00 0.00 H new ATOM 842 N GLY A 56 -0.021 -7.344 -12.785 1.00 0.00 N ATOM 843 CA GLY A 56 0.017 -6.348 -13.849 1.00 0.00 C ATOM 844 C GLY A 56 -1.109 -5.315 -13.729 1.00 0.00 C ATOM 845 O GLY A 56 -1.578 -4.791 -14.736 1.00 0.00 O ATOM 0 H GLY A 56 0.811 -7.354 -12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.979 -5.836 -13.828 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.056 -6.849 -14.814 1.00 0.00 H new ATOM 849 N ILE A 57 -1.528 -4.995 -12.498 1.00 0.00 N ATOM 850 CA ILE A 57 -2.408 -3.865 -12.229 1.00 0.00 C ATOM 851 C ILE A 57 -1.580 -2.575 -12.271 1.00 0.00 C ATOM 852 O ILE A 57 -0.451 -2.572 -12.754 1.00 0.00 O ATOM 853 CB ILE A 57 -3.188 -4.070 -10.911 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.286 -4.288 -9.685 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.197 -5.214 -11.089 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.024 -4.183 -8.348 1.00 0.00 C ATOM 0 H ILE A 57 -1.262 -5.517 -11.663 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.175 -3.785 -12.999 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.722 -3.143 -10.700 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.822 -5.272 -9.757 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.480 -3.554 -9.703 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.749 -5.360 -10.160 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.894 -4.964 -11.889 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.666 -6.131 -11.344 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.322 -4.348 -7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.465 -3.191 -8.253 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.812 -4.935 -8.307 1.00 0.00 H new ATOM 868 N THR A 58 -2.140 -1.458 -11.806 1.00 0.00 N ATOM 869 CA THR A 58 -1.538 -0.142 -11.918 1.00 0.00 C ATOM 870 C THR A 58 -1.598 0.573 -10.561 1.00 0.00 C ATOM 871 O THR A 58 -1.723 1.799 -10.511 1.00 0.00 O ATOM 872 CB THR A 58 -2.329 0.598 -13.006 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.746 -0.303 -14.017 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.484 1.687 -13.643 1.00 0.00 C ATOM 0 H THR A 58 -3.043 -1.449 -11.332 1.00 0.00 H new ATOM 0 HA THR A 58 -0.484 -0.187 -12.193 1.00 0.00 H new ATOM 0 HB THR A 58 -3.201 1.047 -12.530 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.250 0.184 -14.702 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.066 2.197 -14.411 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.181 2.405 -12.881 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.598 1.242 -14.095 1.00 0.00 H new ATOM 882 N TRP A 59 -1.596 -0.230 -9.484 1.00 0.00 N ATOM 883 CA TRP A 59 -2.040 0.116 -8.137 1.00 0.00 C ATOM 884 C TRP A 59 -2.958 1.338 -8.107 1.00 0.00 C ATOM 885 O TRP A 59 -2.650 2.358 -7.494 1.00 0.00 O ATOM 886 CB TRP A 59 -0.837 0.229 -7.199 1.00 0.00 C ATOM 887 CG TRP A 59 -0.331 -1.078 -6.684 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.906 -1.578 -6.892 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.019 -2.044 -5.832 1.00 0.00 C ATOM 890 NE1 TRP A 59 1.019 -2.789 -6.250 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.143 -3.144 -5.605 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.288 -2.099 -5.213 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.510 -4.253 -4.828 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.643 -3.178 -4.381 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.761 -4.256 -4.194 1.00 0.00 C ATOM 0 H TRP A 59 -1.264 -1.193 -9.541 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.666 -0.696 -7.767 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.028 0.736 -7.725 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.110 0.858 -6.352 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.684 -1.102 -7.471 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.866 -3.358 -6.252 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.996 -1.301 -5.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.161 -5.092 -4.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.601 -3.177 -3.882 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.046 -5.085 -3.563 1.00 0.00 H new ATOM 906 N LYS A 60 -4.110 1.216 -8.768 1.00 0.00 N ATOM 907 CA LYS A 60 -5.095 2.279 -8.771 1.00 0.00 C ATOM 908 C LYS A 60 -5.924 2.197 -7.493 1.00 0.00 C ATOM 909 O LYS A 60 -5.929 1.171 -6.804 1.00 0.00 O ATOM 910 CB LYS A 60 -5.983 2.218 -10.025 1.00 0.00 C ATOM 911 CG LYS A 60 -6.719 0.877 -10.193 1.00 0.00 C ATOM 912 CD LYS A 60 -6.314 0.098 -11.455 1.00 0.00 C ATOM 913 CE LYS A 60 -7.253 0.322 -12.652 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.553 1.745 -12.909 1.00 0.00 N ATOM 0 H LYS A 60 -4.376 0.391 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.582 3.240 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.717 3.023 -9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.367 2.398 -10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.527 0.256 -9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.792 1.064 -10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.302 0.387 -11.740 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.287 -0.966 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.801 -0.112 -13.544 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.187 -0.212 -12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.091 1.832 -13.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.116 2.129 -12.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.664 2.278 -12.991 1.00 0.00 H new ATOM 928 N GLU A 61 -6.685 3.266 -7.257 1.00 0.00 N ATOM 929 CA GLU A 61 -7.698 3.375 -6.210 1.00 0.00 C ATOM 930 C GLU A 61 -8.449 2.063 -6.075 1.00 0.00 C ATOM 931 O GLU A 61 -8.503 1.453 -5.007 1.00 0.00 O ATOM 932 CB GLU A 61 -8.627 4.557 -6.543 1.00 0.00 C ATOM 933 CG GLU A 61 -9.409 5.059 -5.324 1.00 0.00 C ATOM 934 CD GLU A 61 -10.280 6.251 -5.696 1.00 0.00 C ATOM 935 OE1 GLU A 61 -11.054 6.115 -6.664 1.00 0.00 O ATOM 936 OE2 GLU A 61 -10.115 7.296 -5.029 1.00 0.00 O ATOM 0 H GLU A 61 -6.608 4.116 -7.815 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.234 3.571 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.034 5.376 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.329 4.254 -7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.032 4.256 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.715 5.342 -4.532 1.00 0.00 H new ATOM 943 N GLU A 62 -8.962 1.609 -7.211 1.00 0.00 N ATOM 944 CA GLU A 62 -9.914 0.533 -7.255 1.00 0.00 C ATOM 945 C GLU A 62 -9.321 -0.741 -6.636 1.00 0.00 C ATOM 946 O GLU A 62 -10.000 -1.481 -5.930 1.00 0.00 O ATOM 947 CB GLU A 62 -10.333 0.312 -8.720 1.00 0.00 C ATOM 948 CG GLU A 62 -10.763 1.592 -9.473 1.00 0.00 C ATOM 949 CD GLU A 62 -10.371 1.526 -10.944 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.804 0.577 -11.627 1.00 0.00 O ATOM 951 OE2 GLU A 62 -9.538 2.367 -11.349 1.00 0.00 O ATOM 0 H GLU A 62 -8.721 1.986 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.796 0.788 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.501 -0.145 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.158 -0.400 -8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.842 1.722 -9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.299 2.463 -9.009 1.00 0.00 H new ATOM 958 N THR A 63 -8.034 -0.977 -6.899 1.00 0.00 N ATOM 959 CA THR A 63 -7.310 -2.145 -6.442 1.00 0.00 C ATOM 960 C THR A 63 -6.814 -1.936 -5.014 1.00 0.00 C ATOM 961 O THR A 63 -6.875 -2.851 -4.195 1.00 0.00 O ATOM 962 CB THR A 63 -6.162 -2.446 -7.418 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.435 -1.285 -7.793 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.729 -3.045 -8.708 1.00 0.00 C ATOM 0 H THR A 63 -7.460 -0.339 -7.450 1.00 0.00 H new ATOM 0 HA THR A 63 -7.972 -3.010 -6.425 1.00 0.00 H new ATOM 0 HB THR A 63 -5.494 -3.132 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.589 -0.576 -7.135 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.914 -3.258 -9.399 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.260 -3.969 -8.478 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.418 -2.335 -9.167 1.00 0.00 H new ATOM 972 N LEU A 64 -6.316 -0.733 -4.707 1.00 0.00 N ATOM 973 CA LEU A 64 -5.792 -0.416 -3.398 1.00 0.00 C ATOM 974 C LEU A 64 -6.849 -0.632 -2.315 1.00 0.00 C ATOM 975 O LEU A 64 -6.541 -1.222 -1.285 1.00 0.00 O ATOM 976 CB LEU A 64 -5.240 1.021 -3.399 1.00 0.00 C ATOM 977 CG LEU A 64 -3.722 1.078 -3.150 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.004 1.733 -4.328 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.437 1.865 -1.875 1.00 0.00 C ATOM 0 H LEU A 64 -6.270 0.041 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.970 -1.093 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.464 1.491 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.751 1.602 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.352 0.058 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.933 1.763 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.190 1.156 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.376 2.749 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.361 1.902 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.823 2.879 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.923 1.377 -1.030 1.00 0.00 H new ATOM 991 N MET A 65 -8.090 -0.188 -2.529 1.00 0.00 N ATOM 992 CA MET A 65 -9.158 -0.388 -1.570 1.00 0.00 C ATOM 993 C MET A 65 -9.405 -1.877 -1.332 1.00 0.00 C ATOM 994 O MET A 65 -9.486 -2.308 -0.182 1.00 0.00 O ATOM 995 CB MET A 65 -10.414 0.310 -2.084 1.00 0.00 C ATOM 996 CG MET A 65 -10.152 1.818 -2.175 1.00 0.00 C ATOM 997 SD MET A 65 -11.558 2.841 -2.635 1.00 0.00 S ATOM 998 CE MET A 65 -12.364 2.759 -1.037 1.00 0.00 C ATOM 0 H MET A 65 -8.373 0.316 -3.369 1.00 0.00 H new ATOM 0 HA MET A 65 -8.876 0.044 -0.610 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.688 -0.083 -3.063 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.253 0.114 -1.416 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.781 2.160 -1.209 1.00 0.00 H new ATOM 0 HG3 MET A 65 -9.355 1.984 -2.900 1.00 0.00 H new ATOM 0 HE1 MET A 65 -13.189 3.471 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.748 1.752 -0.874 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.646 3.004 -0.254 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.523 -2.652 -2.415 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.814 -4.077 -2.311 1.00 0.00 C ATOM 1010 C GLU A 66 -8.717 -4.772 -1.497 1.00 0.00 C ATOM 1011 O GLU A 66 -8.991 -5.518 -0.560 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.977 -4.672 -3.719 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.556 -6.093 -3.670 1.00 0.00 C ATOM 1014 CD GLU A 66 -10.860 -6.659 -5.053 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.376 -6.069 -6.044 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.535 -7.709 -5.087 1.00 0.00 O ATOM 0 H GLU A 66 -9.421 -2.312 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.753 -4.236 -1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.631 -4.032 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.010 -4.690 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.850 -6.750 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.470 -6.087 -3.077 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.460 -4.490 -1.829 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.302 -5.059 -1.149 1.00 0.00 C ATOM 1025 C TYR A 67 -6.289 -4.665 0.324 1.00 0.00 C ATOM 1026 O TYR A 67 -6.211 -5.524 1.189 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.065 -4.525 -1.862 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.736 -5.022 -1.339 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.417 -6.395 -1.355 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.758 -4.089 -0.965 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.125 -6.825 -1.011 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.494 -4.528 -0.553 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.169 -5.891 -0.584 1.00 0.00 C ATOM 1034 OH TYR A 67 0.077 -6.302 -0.232 1.00 0.00 O ATOM 0 H TYR A 67 -7.215 -3.853 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.330 -6.148 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.138 -4.784 -2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.074 -3.437 -1.799 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.169 -7.119 -1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.980 -3.032 -0.995 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.868 -7.872 -1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.764 -3.811 -0.209 1.00 0.00 H new ATOM 0 HH TYR A 67 0.296 -5.958 0.659 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.340 -3.374 0.632 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.300 -2.930 2.018 1.00 0.00 C ATOM 1046 C LEU A 68 -7.449 -3.507 2.847 1.00 0.00 C ATOM 1047 O LEU A 68 -7.237 -3.839 4.012 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.233 -1.398 2.125 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.800 -0.842 2.196 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.035 -1.432 3.382 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -3.996 -1.092 0.919 1.00 0.00 C ATOM 0 H LEU A 68 -6.409 -2.622 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.378 -3.325 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.740 -0.961 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.780 -1.081 3.013 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.912 0.235 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.026 -1.020 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.551 -1.181 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.982 -2.516 3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.995 -0.676 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.925 -2.164 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.494 -0.614 0.076 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.645 -3.640 2.265 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.753 -4.306 2.943 1.00 0.00 C ATOM 1065 C GLU A 69 -9.369 -5.754 3.243 1.00 0.00 C ATOM 1066 O GLU A 69 -9.409 -6.207 4.385 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.025 -4.236 2.082 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.187 -5.010 2.731 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.539 -4.703 2.103 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.558 -4.169 0.975 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.540 -4.759 2.850 1.00 0.00 O ATOM 0 H GLU A 69 -8.867 -3.296 1.331 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.961 -3.799 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.314 -3.194 1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.820 -4.647 1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.992 -6.079 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.225 -4.771 3.794 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.021 -6.490 2.190 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.681 -7.894 2.251 1.00 0.00 C ATOM 1080 C ASN A 70 -7.390 -8.156 1.488 1.00 0.00 C ATOM 1081 O ASN A 70 -7.449 -8.483 0.307 1.00 0.00 O ATOM 1082 CB ASN A 70 -9.828 -8.755 1.710 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.594 -8.263 0.478 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -11.789 -8.002 0.561 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -9.959 -8.201 -0.683 1.00 0.00 N ATOM 0 H ASN A 70 -8.969 -6.107 1.246 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.524 -8.170 3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.422 -9.739 1.476 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.549 -8.891 2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.465 -7.933 -1.527 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.964 -8.422 -0.733 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.214 -8.084 2.124 1.00 0.00 N ATOM 1093 CA PRO A 71 -4.976 -8.269 1.392 1.00 0.00 C ATOM 1094 C PRO A 71 -4.821 -9.741 1.027 1.00 0.00 C ATOM 1095 O PRO A 71 -4.575 -10.089 -0.123 1.00 0.00 O ATOM 1096 CB PRO A 71 -3.873 -7.726 2.303 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.467 -7.807 3.710 1.00 0.00 C ATOM 1098 CD PRO A 71 -5.973 -7.649 3.491 1.00 0.00 C ATOM 0 HA PRO A 71 -4.942 -7.736 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.962 -8.319 2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.610 -6.701 2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.232 -8.758 4.188 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.074 -7.021 4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.538 -8.253 4.201 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.284 -6.614 3.634 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.015 -10.611 2.019 1.00 0.00 N ATOM 1107 CA LYS A 72 -4.864 -12.049 1.867 1.00 0.00 C ATOM 1108 C LYS A 72 -5.925 -12.643 0.931 1.00 0.00 C ATOM 1109 O LYS A 72 -5.697 -13.697 0.348 1.00 0.00 O ATOM 1110 CB LYS A 72 -4.873 -12.717 3.255 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.859 -13.871 3.337 1.00 0.00 C ATOM 1112 CD LYS A 72 -2.402 -13.386 3.483 1.00 0.00 C ATOM 1113 CE LYS A 72 -1.924 -13.282 4.942 1.00 0.00 C ATOM 1114 NZ LYS A 72 -2.757 -12.379 5.761 1.00 0.00 N ATOM 0 H LYS A 72 -5.285 -10.328 2.961 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.904 -12.251 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.641 -11.974 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.872 -13.095 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.110 -14.508 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.943 -14.485 2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.746 -14.069 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.305 -12.410 3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.926 -14.275 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.893 -12.928 4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.357 -12.310 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.777 -11.435 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.725 -12.755 5.817 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.087 -11.994 0.801 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.144 -12.449 -0.097 1.00 0.00 C ATOM 1130 C LYS A 73 -7.869 -11.890 -1.497 1.00 0.00 C ATOM 1131 O LYS A 73 -7.881 -12.654 -2.458 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.521 -12.066 0.471 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.621 -13.142 0.444 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.495 -13.140 -0.819 1.00 0.00 C ATOM 1135 CE LYS A 73 -10.951 -14.066 -1.915 1.00 0.00 C ATOM 1136 NZ LYS A 73 -11.748 -13.979 -3.155 1.00 0.00 N ATOM 0 H LYS A 73 -7.317 -11.143 1.314 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.154 -13.536 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.383 -11.751 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.884 -11.199 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.154 -14.122 0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.264 -13.006 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.507 -13.449 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.563 -12.124 -1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.915 -13.804 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.952 -15.095 -1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.348 -14.619 -3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.731 -14.253 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.727 -13.003 -3.514 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.594 -10.583 -1.630 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.234 -10.012 -2.926 1.00 0.00 C ATOM 1152 C TYR A 74 -6.095 -10.794 -3.593 1.00 0.00 C ATOM 1153 O TYR A 74 -6.189 -11.144 -4.769 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.870 -8.526 -2.803 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.669 -7.840 -4.145 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.725 -7.828 -5.071 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.416 -7.322 -4.520 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.517 -7.366 -6.379 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.197 -6.890 -5.843 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.253 -6.908 -6.769 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.020 -6.666 -8.093 1.00 0.00 O ATOM 0 H TYR A 74 -7.615 -9.912 -0.862 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.114 -10.093 -3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.658 -8.011 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.958 -8.431 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.703 -8.177 -4.774 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.621 -7.255 -3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.333 -7.364 -7.086 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.219 -6.546 -6.145 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.934 -5.701 -8.239 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.017 -11.050 -2.844 1.00 0.00 N ATOM 1172 CA ILE A 75 -3.846 -11.793 -3.301 1.00 0.00 C ATOM 1173 C ILE A 75 -3.517 -12.899 -2.281 1.00 0.00 C ATOM 1174 O ILE A 75 -2.794 -12.646 -1.311 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.666 -10.828 -3.539 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.960 -9.895 -4.730 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.396 -11.623 -3.872 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.094 -8.631 -4.724 1.00 0.00 C ATOM 0 H ILE A 75 -4.937 -10.736 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.051 -12.277 -4.256 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.527 -10.243 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.795 -10.438 -5.660 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.012 -9.609 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.568 -10.934 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.154 -12.287 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.562 -12.214 -4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.346 -8.013 -5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.277 -8.069 -3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.042 -8.911 -4.773 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.004 -14.136 -2.485 1.00 0.00 N ATOM 1191 CA PRO A 76 -3.718 -15.255 -1.598 1.00 0.00 C ATOM 1192 C PRO A 76 -2.253 -15.663 -1.742 1.00 0.00 C ATOM 1193 O PRO A 76 -1.901 -16.515 -2.553 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.703 -16.356 -1.992 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.947 -16.090 -3.475 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.860 -14.567 -3.582 1.00 0.00 C ATOM 0 HA PRO A 76 -3.848 -15.015 -0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.286 -17.349 -1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.626 -16.296 -1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.200 -16.580 -4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.921 -16.460 -3.794 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.443 -14.267 -4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.848 -14.113 -3.507 1.00 0.00 H new ATOM 1204 N GLY A 77 -1.397 -15.024 -0.945 1.00 0.00 N ATOM 1205 CA GLY A 77 0.045 -15.189 -1.007 1.00 0.00 C ATOM 1206 C GLY A 77 0.761 -14.001 -0.371 1.00 0.00 C ATOM 1207 O GLY A 77 1.846 -14.170 0.182 1.00 0.00 O ATOM 0 H GLY A 77 -1.698 -14.366 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.332 -16.107 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.358 -15.293 -2.046 1.00 0.00 H new ATOM 1211 N THR A 78 0.161 -12.806 -0.449 1.00 0.00 N ATOM 1212 CA THR A 78 0.789 -11.576 -0.017 1.00 0.00 C ATOM 1213 C THR A 78 1.318 -11.693 1.410 1.00 0.00 C ATOM 1214 O THR A 78 0.601 -12.109 2.325 1.00 0.00 O ATOM 1215 CB THR A 78 -0.187 -10.403 -0.191 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.475 -9.192 0.047 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.394 -10.459 0.745 1.00 0.00 C ATOM 0 H THR A 78 -0.781 -12.678 -0.818 1.00 0.00 H new ATOM 0 HA THR A 78 1.658 -11.380 -0.646 1.00 0.00 H new ATOM 0 HB THR A 78 -0.551 -10.477 -1.216 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.106 -8.446 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.036 -9.598 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.955 -11.375 0.561 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.053 -10.444 1.780 1.00 0.00 H new ATOM 1225 N LYS A 79 2.574 -11.299 1.609 1.00 0.00 N ATOM 1226 CA LYS A 79 3.235 -11.381 2.908 1.00 0.00 C ATOM 1227 C LYS A 79 2.965 -10.107 3.712 1.00 0.00 C ATOM 1228 O LYS A 79 3.805 -9.656 4.486 1.00 0.00 O ATOM 1229 CB LYS A 79 4.728 -11.662 2.694 1.00 0.00 C ATOM 1230 CG LYS A 79 4.913 -13.082 2.144 1.00 0.00 C ATOM 1231 CD LYS A 79 6.315 -13.248 1.548 1.00 0.00 C ATOM 1232 CE LYS A 79 6.503 -14.694 1.068 1.00 0.00 C ATOM 1233 NZ LYS A 79 7.715 -14.850 0.237 1.00 0.00 N ATOM 0 H LYS A 79 3.163 -10.913 0.871 1.00 0.00 H new ATOM 0 HA LYS A 79 2.833 -12.205 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.149 -10.935 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.267 -11.553 3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.762 -13.810 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.161 -13.284 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.451 -12.557 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.070 -13.001 2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.568 -15.357 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.629 -15.002 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.803 -15.841 -0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.643 -14.238 -0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.553 -14.581 0.791 1.00 0.00 H new ATOM 1247 N MET A 80 1.772 -9.535 3.539 1.00 0.00 N ATOM 1248 CA MET A 80 1.435 -8.237 4.087 1.00 0.00 C ATOM 1249 C MET A 80 1.091 -8.295 5.574 1.00 0.00 C ATOM 1250 O MET A 80 1.359 -7.365 6.325 1.00 0.00 O ATOM 1251 CB MET A 80 0.332 -7.616 3.238 1.00 0.00 C ATOM 1252 CG MET A 80 -0.083 -6.249 3.778 1.00 0.00 C ATOM 1253 SD MET A 80 0.073 -4.872 2.618 1.00 0.00 S ATOM 1254 CE MET A 80 -1.569 -4.123 2.743 1.00 0.00 C ATOM 0 H MET A 80 1.015 -9.968 3.011 1.00 0.00 H new ATOM 0 HA MET A 80 2.312 -7.592 4.040 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.677 -7.513 2.209 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.533 -8.280 3.220 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.120 -6.308 4.107 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.519 -6.028 4.659 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.567 -3.156 2.240 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.304 -4.776 2.271 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.827 -3.985 3.793 1.00 0.00 H new ATOM 1264 N ILE A 81 0.482 -9.400 5.991 1.00 0.00 N ATOM 1265 CA ILE A 81 0.073 -9.638 7.366 1.00 0.00 C ATOM 1266 C ILE A 81 -0.721 -8.434 7.902 1.00 0.00 C ATOM 1267 O ILE A 81 -0.317 -7.772 8.855 1.00 0.00 O ATOM 1268 CB ILE A 81 1.316 -9.974 8.213 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.263 -10.996 7.552 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.945 -10.455 9.626 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.670 -12.403 7.418 1.00 0.00 C ATOM 0 H ILE A 81 0.255 -10.172 5.365 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.599 -10.494 7.422 1.00 0.00 H new ATOM 0 HB ILE A 81 1.856 -9.030 8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.537 -10.633 6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.182 -11.055 8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.854 -10.679 10.184 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.386 -9.674 10.141 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.332 -11.353 9.555 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.398 -13.061 6.944 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.422 -12.789 8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.768 -12.361 6.808 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.866 -8.145 7.277 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.715 -7.030 7.667 1.00 0.00 C ATOM 1285 C PHE A 82 -4.180 -7.390 7.431 1.00 0.00 C ATOM 1286 O PHE A 82 -4.460 -8.416 6.807 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.285 -5.768 6.905 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.549 -4.503 7.687 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.722 -4.194 8.784 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.691 -3.727 7.425 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.018 -3.091 9.602 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.025 -2.672 8.287 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.189 -2.354 9.373 1.00 0.00 C ATOM 0 H PHE A 82 -2.225 -8.681 6.487 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.604 -6.821 8.731 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.222 -5.832 6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.817 -5.722 5.955 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.858 -4.806 8.997 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.308 -3.942 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.348 -2.812 10.402 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.926 -2.102 8.117 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.450 -1.540 10.033 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.099 -6.566 7.951 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.538 -6.817 7.913 1.00 0.00 C ATOM 1305 C ALA A 83 -7.360 -5.530 8.062 1.00 0.00 C ATOM 1306 O ALA A 83 -8.341 -5.349 7.349 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.914 -7.823 9.004 1.00 0.00 C ATOM 0 H ALA A 83 -4.855 -5.692 8.417 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.776 -7.231 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.988 -8.008 8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.379 -8.758 8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.643 -7.420 9.980 1.00 0.00 H new ATOM 1313 N GLY A 84 -6.999 -4.645 8.996 1.00 0.00 N ATOM 1314 CA GLY A 84 -7.732 -3.406 9.234 1.00 0.00 C ATOM 1315 C GLY A 84 -6.898 -2.509 10.143 1.00 0.00 C ATOM 1316 O GLY A 84 -5.980 -3.005 10.798 1.00 0.00 O ATOM 0 H GLY A 84 -6.191 -4.771 9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.936 -2.901 8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.696 -3.620 9.696 1.00 0.00 H new ATOM 1320 N ILE A 85 -7.178 -1.201 10.154 1.00 0.00 N ATOM 1321 CA ILE A 85 -6.357 -0.199 10.829 1.00 0.00 C ATOM 1322 C ILE A 85 -7.213 0.696 11.735 1.00 0.00 C ATOM 1323 O ILE A 85 -6.824 0.981 12.873 1.00 0.00 O ATOM 1324 CB ILE A 85 -5.494 0.566 9.798 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -4.452 1.456 10.485 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -6.317 1.373 8.796 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -3.323 1.911 9.557 1.00 0.00 C ATOM 0 H ILE A 85 -7.994 -0.807 9.686 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.654 -0.689 11.502 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.973 -0.201 9.225 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.951 2.335 10.894 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.022 0.913 11.327 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.648 1.884 8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.972 0.703 8.240 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.919 2.109 9.329 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.625 2.537 10.113 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.798 1.039 9.168 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.741 2.482 8.728 1.00 0.00 H new ATOM 1339 N LYS A 86 -8.383 1.143 11.270 1.00 0.00 N ATOM 1340 CA LYS A 86 -9.386 1.813 12.083 1.00 0.00 C ATOM 1341 C LYS A 86 -10.754 1.193 11.790 1.00 0.00 C ATOM 1342 O LYS A 86 -10.966 0.037 12.148 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.334 3.342 11.894 1.00 0.00 C ATOM 1344 CG LYS A 86 -7.978 4.032 12.148 1.00 0.00 C ATOM 1345 CD LYS A 86 -7.816 4.707 13.524 1.00 0.00 C ATOM 1346 CE LYS A 86 -7.092 3.880 14.597 1.00 0.00 C ATOM 1347 NZ LYS A 86 -7.737 2.580 14.852 1.00 0.00 N ATOM 0 H LYS A 86 -8.660 1.044 10.293 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.179 1.660 13.142 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.644 3.568 10.874 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.073 3.791 12.558 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.187 3.291 12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.824 4.785 11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.273 5.642 13.386 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.806 4.965 13.899 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.061 3.713 14.285 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.056 4.450 15.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.505 2.260 15.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.768 2.680 14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.394 1.881 14.163 1.00 0.00 H new ATOM 1361 N LYS A 87 -11.694 1.946 11.209 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.026 1.440 10.917 1.00 0.00 C ATOM 1363 C LYS A 87 -13.694 2.294 9.839 1.00 0.00 C ATOM 1364 O LYS A 87 -14.174 3.386 10.146 1.00 0.00 O ATOM 1365 CB LYS A 87 -13.846 1.471 12.210 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.195 0.765 12.020 1.00 0.00 C ATOM 1367 CD LYS A 87 -15.920 0.596 13.360 1.00 0.00 C ATOM 1368 CE LYS A 87 -17.180 -0.262 13.161 1.00 0.00 C ATOM 1369 NZ LYS A 87 -17.899 -0.507 14.429 1.00 0.00 N ATOM 0 H LYS A 87 -11.548 2.917 10.932 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.964 0.418 10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.287 0.987 13.011 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.012 2.504 12.516 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.818 1.341 11.336 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.037 -0.211 11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.258 0.124 14.086 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.192 1.571 13.763 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.848 0.235 12.458 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.900 -1.216 12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.741 -1.089 14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.272 -1.005 15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.191 0.401 14.844 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.731 1.805 8.595 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.340 2.451 7.432 1.00 0.00 C ATOM 1385 C LYS A 88 -13.593 3.723 7.021 1.00 0.00 C ATOM 1386 O LYS A 88 -13.069 3.783 5.915 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.849 2.685 7.627 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.520 3.083 6.298 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.166 4.475 6.374 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.612 4.914 4.970 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.336 6.203 4.983 1.00 0.00 N ATOM 0 H LYS A 88 -13.316 0.903 8.363 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.242 1.758 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.314 1.780 8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.007 3.469 8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.778 3.071 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.279 2.345 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.022 4.453 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.456 5.194 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.738 4.999 4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.253 4.145 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.615 6.454 4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.186 6.118 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.717 6.945 5.369 1.00 0.00 H new ATOM 1405 N THR A 89 -13.546 4.722 7.903 1.00 0.00 N ATOM 1406 CA THR A 89 -12.660 5.881 7.853 1.00 0.00 C ATOM 1407 C THR A 89 -11.328 5.522 7.202 1.00 0.00 C ATOM 1408 O THR A 89 -11.000 6.045 6.139 1.00 0.00 O ATOM 1409 CB THR A 89 -12.442 6.376 9.291 1.00 0.00 C ATOM 1410 OG1 THR A 89 -12.190 5.277 10.162 1.00 0.00 O ATOM 1411 CG2 THR A 89 -13.680 7.140 9.760 1.00 0.00 C ATOM 0 H THR A 89 -14.161 4.743 8.717 1.00 0.00 H new ATOM 0 HA THR A 89 -13.114 6.667 7.249 1.00 0.00 H new ATOM 0 HB THR A 89 -11.577 7.039 9.311 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.991 4.716 10.221 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.526 7.491 10.780 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.851 7.994 9.104 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.547 6.481 9.731 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.634 4.551 7.803 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.418 3.937 7.291 1.00 0.00 C ATOM 1421 C GLU A 90 -9.390 3.808 5.769 1.00 0.00 C ATOM 1422 O GLU A 90 -8.417 4.181 5.115 1.00 0.00 O ATOM 1423 CB GLU A 90 -9.283 2.543 7.904 1.00 0.00 C ATOM 1424 CG GLU A 90 -10.586 1.744 8.022 1.00 0.00 C ATOM 1425 CD GLU A 90 -10.369 0.281 8.364 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -9.360 -0.013 9.044 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -11.253 -0.500 7.952 1.00 0.00 O ATOM 0 H GLU A 90 -10.922 4.158 8.699 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.590 4.590 7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.578 1.968 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.848 2.643 8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.214 2.199 8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.131 1.812 7.081 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.463 3.235 5.233 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.610 2.842 3.845 1.00 0.00 C ATOM 1436 C ARG A 91 -10.451 4.048 2.933 1.00 0.00 C ATOM 1437 O ARG A 91 -10.002 3.903 1.802 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.987 2.195 3.629 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.991 1.264 2.413 1.00 0.00 C ATOM 1440 CD ARG A 91 -11.484 -0.127 2.810 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.482 -0.846 3.620 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.430 -1.652 3.116 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -13.619 -1.696 1.793 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.153 -2.419 3.937 1.00 0.00 N ATOM 0 H ARG A 91 -11.293 3.024 5.787 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.833 2.118 3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.268 1.632 4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.738 2.974 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.000 1.189 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.360 1.678 1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.256 -0.703 1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.555 -0.032 3.373 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.451 -0.723 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.045 -1.120 1.176 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.337 -2.305 1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.984 -2.391 4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.874 -3.033 3.558 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.846 5.223 3.420 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.810 6.452 2.671 1.00 0.00 C ATOM 1460 C GLU A 92 -9.630 7.324 3.118 1.00 0.00 C ATOM 1461 O GLU A 92 -9.177 8.182 2.367 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.163 7.145 2.875 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.526 7.892 1.595 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.070 6.943 0.535 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.154 6.376 0.796 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.383 6.809 -0.497 1.00 0.00 O ATOM 0 H GLU A 92 -11.206 5.337 4.368 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.655 6.265 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.932 6.410 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.110 7.838 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.270 8.658 1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.645 8.405 1.209 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.194 7.184 4.367 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.086 7.917 4.974 1.00 0.00 C ATOM 1475 C ASP A 93 -6.767 7.460 4.363 1.00 0.00 C ATOM 1476 O ASP A 93 -6.056 8.241 3.739 1.00 0.00 O ATOM 1477 CB ASP A 93 -8.037 7.686 6.494 1.00 0.00 C ATOM 1478 CG ASP A 93 -9.149 8.355 7.282 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -9.562 9.460 6.870 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.542 7.759 8.305 1.00 0.00 O ATOM 0 H ASP A 93 -9.625 6.524 5.015 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.241 8.979 4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.072 6.613 6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.079 8.045 6.870 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.423 6.183 4.531 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.203 5.599 3.979 1.00 0.00 C ATOM 1487 C LEU A 94 -5.181 5.808 2.470 1.00 0.00 C ATOM 1488 O LEU A 94 -4.165 6.194 1.890 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.144 4.099 4.318 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.669 3.797 5.750 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.146 3.759 5.802 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -5.100 4.818 6.800 1.00 0.00 C ATOM 0 H LEU A 94 -6.990 5.520 5.059 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.332 6.087 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.134 3.666 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.476 3.604 3.613 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.134 2.840 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.822 3.545 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.778 2.981 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.747 4.724 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.718 4.519 7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.702 5.799 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.188 4.866 6.835 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.339 5.607 1.841 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.495 5.700 0.402 1.00 0.00 C ATOM 1506 C ILE A 95 -6.822 7.149 0.015 1.00 0.00 C ATOM 1507 O ILE A 95 -7.245 7.410 -1.111 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.532 4.662 -0.076 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.396 3.303 0.652 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.445 4.436 -1.594 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.063 2.595 0.424 1.00 0.00 C ATOM 0 H ILE A 95 -7.203 5.372 2.330 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.566 5.452 -0.112 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.507 5.083 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.530 3.463 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.202 2.647 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.190 3.699 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.634 5.376 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.450 4.073 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.054 1.652 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.932 2.399 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.250 3.228 0.779 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.581 8.113 0.916 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.446 9.513 0.561 1.00 0.00 C ATOM 1525 C ALA A 96 -4.962 9.830 0.645 1.00 0.00 C ATOM 1526 O ALA A 96 -4.376 10.282 -0.336 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.287 10.382 1.496 1.00 0.00 C ATOM 0 H ALA A 96 -6.476 7.931 1.914 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.813 9.720 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.175 11.430 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.335 10.095 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.951 10.242 2.523 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.335 9.524 1.788 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.907 9.699 1.964 1.00 0.00 C ATOM 1535 C TYR A 97 -2.130 9.147 0.781 1.00 0.00 C ATOM 1536 O TYR A 97 -1.372 9.886 0.167 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.388 9.047 3.248 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.865 9.019 3.343 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.113 10.113 2.869 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.187 7.852 3.742 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.288 10.080 2.874 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.218 7.819 3.738 1.00 0.00 C ATOM 1543 CZ TYR A 97 1.960 8.946 3.348 1.00 0.00 C ATOM 1544 OH TYR A 97 3.313 9.003 3.490 1.00 0.00 O ATOM 0 H TYR A 97 -4.811 9.150 2.609 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.748 10.775 2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.788 9.586 4.107 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.767 8.027 3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.624 10.989 2.497 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.747 6.982 4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.850 10.929 2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.732 6.918 4.038 1.00 0.00 H new ATOM 0 HH TYR A 97 3.590 8.412 4.221 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.286 7.865 0.453 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.446 7.277 -0.584 1.00 0.00 C ATOM 1556 C LEU A 98 -1.669 7.911 -1.956 1.00 0.00 C ATOM 1557 O LEU A 98 -0.787 7.854 -2.813 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.561 5.752 -0.600 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.110 5.133 0.732 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.246 3.612 0.630 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.331 5.496 1.115 1.00 0.00 C ATOM 0 H LEU A 98 -2.965 7.232 0.876 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.412 7.509 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.594 5.467 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.955 5.350 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.748 5.539 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.930 3.155 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.286 3.352 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.619 3.244 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.584 5.026 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.013 5.142 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.421 6.578 1.210 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.800 8.597 -2.132 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.128 9.304 -3.360 1.00 0.00 C ATOM 1575 C LYS A 99 -2.221 10.527 -3.548 1.00 0.00 C ATOM 1576 O LYS A 99 -2.167 11.087 -4.639 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.612 9.688 -3.311 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.287 9.649 -4.687 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.811 9.667 -4.501 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.325 8.268 -4.117 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.519 8.306 -3.250 1.00 0.00 N ATOM 0 H LYS A 99 -3.520 8.675 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.955 8.661 -4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.135 9.010 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.709 10.690 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.971 10.504 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.985 8.752 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.080 10.385 -3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.292 9.997 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.560 7.712 -5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.531 7.723 -3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.338 7.758 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.733 9.292 -2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.329 7.895 -3.757 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.504 10.925 -2.489 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.522 11.994 -2.468 1.00 0.00 C ATOM 1597 C LYS A 100 0.869 11.456 -2.085 1.00 0.00 C ATOM 1598 O LYS A 100 1.856 12.026 -2.532 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.046 13.167 -1.613 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.544 13.218 -0.164 1.00 0.00 C ATOM 1601 CD LYS A 100 0.835 13.891 -0.066 1.00 0.00 C ATOM 1602 CE LYS A 100 0.752 15.246 0.655 1.00 0.00 C ATOM 1603 NZ LYS A 100 2.038 15.970 0.611 1.00 0.00 N ATOM 0 H LYS A 100 -1.606 10.479 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.379 12.407 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.772 14.100 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.135 13.122 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.260 13.763 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.485 12.206 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.523 13.236 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.243 14.035 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.025 15.856 0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.459 15.088 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.908 16.931 0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.741 15.465 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.372 16.024 -0.372 1.00 0.00 H new ATOM 1617 N ALA A 101 0.984 10.352 -1.328 1.00 0.00 N ATOM 1618 CA ALA A 101 2.248 9.642 -1.090 1.00 0.00 C ATOM 1619 C ALA A 101 2.857 9.199 -2.415 1.00 0.00 C ATOM 1620 O ALA A 101 4.066 9.213 -2.605 1.00 0.00 O ATOM 1621 CB ALA A 101 2.046 8.417 -0.199 1.00 0.00 C ATOM 0 H ALA A 101 0.187 9.922 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 101 2.921 10.333 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.002 7.917 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.641 8.730 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.350 7.729 -0.679 1.00 0.00 H new ATOM 1627 N THR A 102 1.984 8.832 -3.354 1.00 0.00 N ATOM 1628 CA THR A 102 2.362 8.506 -4.717 1.00 0.00 C ATOM 1629 C THR A 102 2.965 9.699 -5.481 1.00 0.00 C ATOM 1630 O THR A 102 3.361 9.514 -6.631 1.00 0.00 O ATOM 1631 CB THR A 102 1.111 7.957 -5.417 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.424 7.274 -6.610 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.105 9.073 -5.717 1.00 0.00 C ATOM 0 H THR A 102 0.982 8.754 -3.180 1.00 0.00 H new ATOM 0 HA THR A 102 3.157 7.760 -4.702 1.00 0.00 H new ATOM 0 HB THR A 102 0.661 7.246 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.068 7.800 -7.129 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.769 8.651 -6.213 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.200 9.548 -4.785 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.568 9.815 -6.367 1.00 0.00 H new ATOM 1641 N ASN A 103 2.958 10.904 -4.895 1.00 0.00 N ATOM 1642 CA ASN A 103 3.364 12.159 -5.523 1.00 0.00 C ATOM 1643 C ASN A 103 4.398 12.949 -4.703 1.00 0.00 C ATOM 1644 O ASN A 103 5.241 13.607 -5.308 1.00 0.00 O ATOM 1645 CB ASN A 103 2.113 13.008 -5.785 1.00 0.00 C ATOM 1646 CG ASN A 103 2.443 14.299 -6.528 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.459 14.329 -7.754 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.673 15.391 -5.803 1.00 0.00 N ATOM 0 H ASN A 103 2.656 11.031 -3.929 1.00 0.00 H new ATOM 0 HA ASN A 103 3.862 11.913 -6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.397 12.428 -6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.633 13.248 -4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.868 16.279 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.654 15.340 -4.784 1.00 0.00 H new ATOM 1655 N GLU A 104 4.302 12.963 -3.364 1.00 0.00 N ATOM 1656 CA GLU A 104 5.260 13.674 -2.521 1.00 0.00 C ATOM 1657 C GLU A 104 6.632 12.988 -2.514 1.00 0.00 C ATOM 1658 O GLU A 104 6.695 11.795 -2.885 1.00 0.00 O ATOM 1659 CB GLU A 104 4.715 13.934 -1.099 1.00 0.00 C ATOM 1660 CG GLU A 104 4.366 12.704 -0.241 1.00 0.00 C ATOM 1661 CD GLU A 104 4.158 13.038 1.235 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.705 14.174 1.504 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.366 12.145 2.079 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.599 13.685 -2.135 1.00 0.00 O ATOM 0 H GLU A 104 3.565 12.486 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 104 5.407 14.657 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.454 14.525 -0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.819 14.548 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.460 12.241 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.165 11.968 -0.331 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.779 -3.235 2.956 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.640 -4.410 -0.244 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.013 -0.683 1.609 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.922 -2.323 6.138 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.800 -5.766 4.298 1.00 0.00 C HETATM 1677 NA HEC A 105 1.347 -2.678 1.029 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.819 -3.280 -0.112 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.338 -2.505 -1.229 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.576 -1.474 -0.724 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.612 -1.571 0.720 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.180 -0.464 -1.554 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.560 -2.837 -2.685 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.008 -2.680 -3.178 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.454 -3.886 -3.995 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.203 -3.880 -5.220 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.025 -4.802 -3.369 1.00 0.00 O HETATM 1688 NB HEC A 105 0.654 -1.763 3.740 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.003 -0.825 3.008 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.699 0.033 3.941 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.484 -0.471 5.215 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.418 -1.585 5.069 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.532 1.230 3.552 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.141 -0.084 6.536 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.671 -0.188 6.520 1.00 0.00 C HETATM 1696 NC HEC A 105 2.267 -3.918 4.860 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.802 -3.371 5.999 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.392 -4.065 7.112 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.296 -4.960 6.593 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.128 -4.925 5.161 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.107 -3.780 8.562 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.451 -5.635 7.308 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.071 -6.830 8.183 1.00 0.00 C HETATM 1704 ND HEC A 105 2.994 -4.829 2.164 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.710 -5.703 2.920 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.386 -6.614 2.030 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.052 -6.252 0.751 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.174 -5.103 0.841 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.319 -7.743 2.399 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.570 -6.931 -0.496 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.470 -7.516 -1.386 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.213 -9.015 -1.240 1.00 0.00 C HETATM 1713 O1D HEC A 105 3.837 -9.693 -0.391 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.314 -9.459 -1.986 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.177 -7.344 2.941 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.792 -8.459 3.030 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.662 -8.242 1.493 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.377 -2.749 8.790 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.046 -3.929 8.760 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.691 -4.455 9.187 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.908 1.952 3.025 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.346 0.911 2.901 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.945 1.693 4.448 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.519 0.082 -2.188 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.910 -0.979 -2.178 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.695 0.236 -0.896 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.541 -6.987 -1.176 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.725 -7.311 -2.426 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.375 -6.507 8.957 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.599 -7.596 7.568 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 4.967 -7.240 8.648 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -3.073 0.474 5.753 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.964 -1.215 6.302 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -3.066 0.103 7.493 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.091 -1.778 -3.784 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.672 -2.552 -2.323 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.149 -6.212 -1.076 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.253 -7.730 -0.206 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.243 -3.865 -2.859 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.916 -2.198 -3.289 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.445 -6.531 4.731 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.600 -2.054 7.144 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.544 0.171 1.189 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.873 -4.765 -1.248 1.00 0.00 H new HETATM 0 H2D HEC A 105 1.442 -9.337 -1.556 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.747 -5.173 -3.918 1.00 0.00 H new