USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 656 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 14 HIS HE2 : A 14 HIS NE2 : A 81 HECFE :(H bumps) USER MOD NoAdj-H: A 81 HEC HAC : A 81 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC HAB : A 81 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC H2D : A 81 HEC O2D : A 81 HEC CGD :(short bond) USER MOD NoAdj-H: A 81 HEC H2A : A 81 HEC O2A : A 81 HEC CGA :(short bond) USER MOD Set 1.1: A 59 MET CE :methyl -175:sc= -3.17! (180deg=-2.47) USER MOD Set 1.2: A 62 GLN : amide:sc= -9.79! C(o=-13!,f=-15!) USER MOD Set 2.1: A 1 ASN N :NH3+ -155:sc= -0.0344 (180deg=-0.888) USER MOD Set 2.2: A 3 GLN : amide:sc= 0.107 K(o=0.073,f=-1.2) USER MOD Single : A 1 ASN : amide:sc= -0.887 K(o=-0.89,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0.021) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -15:sc= -1.98! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.263) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 140:sc= -0.294 USER MOD Single : A 56 SER OG : rot -59:sc= 0.0274 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -4.03! C(o=-4!,f=-4.4!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -70:sc= 0.063 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 8.171 -12.594 -6.657 1.00 0.00 N ATOM 2 CA ASN A 1 8.651 -11.370 -5.952 1.00 0.00 C ATOM 3 C ASN A 1 7.922 -10.135 -6.488 1.00 0.00 C ATOM 4 O ASN A 1 6.885 -9.748 -5.987 1.00 0.00 O ATOM 5 CB ASN A 1 10.148 -11.276 -6.251 1.00 0.00 C ATOM 6 CG ASN A 1 10.936 -11.946 -5.125 1.00 0.00 C ATOM 7 OD1 ASN A 1 11.788 -11.332 -4.514 1.00 0.00 O ATOM 8 ND2 ASN A 1 10.688 -13.192 -4.823 1.00 0.00 N ATOM 0 H1 ASN A 1 8.319 -13.425 -6.050 1.00 0.00 H new ATOM 0 H2 ASN A 1 7.158 -12.497 -6.870 1.00 0.00 H new ATOM 0 H3 ASN A 1 8.701 -12.714 -7.544 1.00 0.00 H new ATOM 0 HA ASN A 1 8.461 -11.420 -4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 1 10.371 -11.759 -7.202 1.00 0.00 H new ATOM 0 HB3 ASN A 1 10.446 -10.232 -6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 1 11.209 -13.649 -4.075 1.00 0.00 H new ATOM 0 HD22 ASN A 1 9.973 -13.708 -5.335 1.00 0.00 H new ATOM 17 N GLU A 2 8.456 -9.513 -7.503 1.00 0.00 N ATOM 18 CA GLU A 2 7.794 -8.304 -8.071 1.00 0.00 C ATOM 19 C GLU A 2 6.768 -8.715 -9.131 1.00 0.00 C ATOM 20 O GLU A 2 5.837 -7.991 -9.421 1.00 0.00 O ATOM 21 CB GLU A 2 8.911 -7.475 -8.705 1.00 0.00 C ATOM 22 CG GLU A 2 9.068 -6.160 -7.940 1.00 0.00 C ATOM 23 CD GLU A 2 10.068 -5.261 -8.669 1.00 0.00 C ATOM 24 OE1 GLU A 2 10.420 -5.588 -9.791 1.00 0.00 O ATOM 25 OE2 GLU A 2 10.464 -4.260 -8.095 1.00 0.00 O ATOM 0 H GLU A 2 9.323 -9.790 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 2 7.262 -7.738 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.847 -8.033 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.680 -7.274 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.104 -5.658 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.413 -6.357 -6.925 1.00 0.00 H new ATOM 32 N GLN A 3 6.932 -9.872 -9.710 1.00 0.00 N ATOM 33 CA GLN A 3 5.966 -10.329 -10.750 1.00 0.00 C ATOM 34 C GLN A 3 4.533 -10.200 -10.230 1.00 0.00 C ATOM 35 O GLN A 3 3.587 -10.143 -10.992 1.00 0.00 O ATOM 36 CB GLN A 3 6.305 -11.795 -11.020 1.00 0.00 C ATOM 37 CG GLN A 3 7.687 -11.891 -11.668 1.00 0.00 C ATOM 38 CD GLN A 3 8.546 -12.892 -10.894 1.00 0.00 C ATOM 39 OE1 GLN A 3 8.588 -12.862 -9.679 1.00 0.00 O ATOM 40 NE2 GLN A 3 9.239 -13.783 -11.549 1.00 0.00 N ATOM 0 H GLN A 3 7.693 -10.521 -9.509 1.00 0.00 H new ATOM 0 HA GLN A 3 6.037 -9.730 -11.658 1.00 0.00 H new ATOM 0 HB2 GLN A 3 6.289 -12.360 -10.088 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.554 -12.238 -11.674 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.592 -12.205 -12.707 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.166 -10.912 -11.673 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.204 -13.808 -12.568 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.816 -14.454 -11.042 1.00 0.00 H new ATOM 49 N LEU A 4 4.363 -10.153 -8.937 1.00 0.00 N ATOM 50 CA LEU A 4 2.990 -10.027 -8.369 1.00 0.00 C ATOM 51 C LEU A 4 2.501 -8.581 -8.490 1.00 0.00 C ATOM 52 O LEU A 4 1.328 -8.326 -8.676 1.00 0.00 O ATOM 53 CB LEU A 4 3.109 -10.427 -6.898 1.00 0.00 C ATOM 54 CG LEU A 4 2.997 -11.948 -6.771 1.00 0.00 C ATOM 55 CD1 LEU A 4 3.212 -12.356 -5.313 1.00 0.00 C ATOM 56 CD2 LEU A 4 1.606 -12.395 -7.225 1.00 0.00 C ATOM 0 H LEU A 4 5.115 -10.196 -8.249 1.00 0.00 H new ATOM 0 HA LEU A 4 2.275 -10.657 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.063 -10.087 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.325 -9.944 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 4 3.754 -12.422 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.132 -13.439 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.202 -12.037 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.455 -11.883 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.525 -13.478 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.849 -11.921 -6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.452 -12.105 -8.264 1.00 0.00 H new ATOM 68 N ALA A 5 3.392 -7.633 -8.384 1.00 0.00 N ATOM 69 CA ALA A 5 2.977 -6.205 -8.493 1.00 0.00 C ATOM 70 C ALA A 5 2.867 -5.802 -9.966 1.00 0.00 C ATOM 71 O ALA A 5 2.119 -4.912 -10.321 1.00 0.00 O ATOM 72 CB ALA A 5 4.075 -5.397 -7.801 1.00 0.00 C ATOM 0 H ALA A 5 4.388 -7.785 -8.227 1.00 0.00 H new ATOM 0 HA ALA A 5 2.004 -6.030 -8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.829 -4.336 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.153 -5.707 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.026 -5.571 -8.304 1.00 0.00 H new ATOM 78 N LYS A 6 3.606 -6.448 -10.825 1.00 0.00 N ATOM 79 CA LYS A 6 3.542 -6.100 -12.274 1.00 0.00 C ATOM 80 C LYS A 6 2.245 -6.635 -12.887 1.00 0.00 C ATOM 81 O LYS A 6 1.449 -5.891 -13.424 1.00 0.00 O ATOM 82 CB LYS A 6 4.754 -6.775 -12.919 1.00 0.00 C ATOM 83 CG LYS A 6 5.994 -5.902 -12.716 1.00 0.00 C ATOM 84 CD LYS A 6 6.888 -5.991 -13.954 1.00 0.00 C ATOM 85 CE LYS A 6 7.590 -7.350 -13.981 1.00 0.00 C ATOM 86 NZ LYS A 6 8.927 -7.128 -13.363 1.00 0.00 N ATOM 0 H LYS A 6 4.251 -7.201 -10.587 1.00 0.00 H new ATOM 0 HA LYS A 6 3.555 -5.022 -12.431 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.913 -7.759 -12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.575 -6.928 -13.983 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.699 -4.867 -12.541 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.543 -6.231 -11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.291 -5.860 -14.857 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.626 -5.189 -13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.021 -8.095 -13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.687 -7.720 -15.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.457 -8.023 -13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.452 -6.421 -13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.806 -6.785 -12.389 1.00 0.00 H new ATOM 100 N GLN A 7 2.027 -7.920 -12.810 1.00 0.00 N ATOM 101 CA GLN A 7 0.783 -8.501 -13.388 1.00 0.00 C ATOM 102 C GLN A 7 -0.439 -7.719 -12.897 1.00 0.00 C ATOM 103 O GLN A 7 -1.468 -7.687 -13.543 1.00 0.00 O ATOM 104 CB GLN A 7 0.725 -9.945 -12.889 1.00 0.00 C ATOM 105 CG GLN A 7 1.672 -10.811 -13.722 1.00 0.00 C ATOM 106 CD GLN A 7 1.574 -12.266 -13.261 1.00 0.00 C ATOM 107 OE1 GLN A 7 2.376 -12.719 -12.468 1.00 0.00 O ATOM 108 NE2 GLN A 7 0.617 -13.021 -13.726 1.00 0.00 N ATOM 0 H GLN A 7 2.657 -8.592 -12.372 1.00 0.00 H new ATOM 0 HA GLN A 7 0.784 -8.455 -14.477 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.006 -9.989 -11.837 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.294 -10.326 -12.963 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.416 -10.736 -14.779 1.00 0.00 H new ATOM 0 HG3 GLN A 7 2.696 -10.453 -13.616 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.056 -12.640 -14.391 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.541 -13.992 -13.424 1.00 0.00 H new ATOM 117 N LYS A 8 -0.333 -7.089 -11.760 1.00 0.00 N ATOM 118 CA LYS A 8 -1.489 -6.311 -11.229 1.00 0.00 C ATOM 119 C LYS A 8 -1.532 -4.924 -11.878 1.00 0.00 C ATOM 120 O LYS A 8 -2.545 -4.505 -12.401 1.00 0.00 O ATOM 121 CB LYS A 8 -1.252 -6.185 -9.723 1.00 0.00 C ATOM 122 CG LYS A 8 -2.197 -7.127 -8.976 1.00 0.00 C ATOM 123 CD LYS A 8 -2.005 -8.556 -9.490 1.00 0.00 C ATOM 124 CE LYS A 8 -3.367 -9.244 -9.609 1.00 0.00 C ATOM 125 NZ LYS A 8 -3.143 -10.442 -10.465 1.00 0.00 N ATOM 0 H LYS A 8 0.503 -7.079 -11.176 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.438 -6.801 -11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.216 -6.429 -9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.419 -5.157 -9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.998 -7.085 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.231 -6.813 -9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.507 -8.541 -10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.362 -9.115 -8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.748 -9.530 -8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.104 -8.577 -10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.039 -10.956 -10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.789 -10.142 -11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.444 -11.066 -10.013 1.00 0.00 H new ATOM 139 N GLY A 9 -0.439 -4.212 -11.849 1.00 0.00 N ATOM 140 CA GLY A 9 -0.418 -2.855 -12.465 1.00 0.00 C ATOM 141 C GLY A 9 -0.353 -1.795 -11.365 1.00 0.00 C ATOM 142 O GLY A 9 -0.697 -0.648 -11.572 1.00 0.00 O ATOM 0 H GLY A 9 0.440 -4.511 -11.426 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.441 -2.759 -13.128 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.309 -2.707 -13.075 1.00 0.00 H new ATOM 146 N CYS A 10 0.087 -2.167 -10.193 1.00 0.00 N ATOM 147 CA CYS A 10 0.173 -1.179 -9.080 1.00 0.00 C ATOM 148 C CYS A 10 1.329 -0.207 -9.332 1.00 0.00 C ATOM 149 O CYS A 10 1.299 0.931 -8.908 1.00 0.00 O ATOM 150 CB CYS A 10 0.436 -1.995 -7.812 1.00 0.00 C ATOM 151 SG CYS A 10 -0.671 -3.427 -7.771 1.00 0.00 S ATOM 0 H CYS A 10 0.390 -3.112 -9.959 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.740 -0.590 -8.993 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.475 -2.325 -7.789 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.278 -1.375 -6.929 1.00 0.00 H new ATOM 156 N MET A 11 2.348 -0.647 -10.019 1.00 0.00 N ATOM 157 CA MET A 11 3.505 0.251 -10.297 1.00 0.00 C ATOM 158 C MET A 11 3.034 1.508 -11.032 1.00 0.00 C ATOM 159 O MET A 11 3.734 2.499 -11.098 1.00 0.00 O ATOM 160 CB MET A 11 4.456 -0.557 -11.182 1.00 0.00 C ATOM 161 CG MET A 11 4.844 -1.852 -10.467 1.00 0.00 C ATOM 162 SD MET A 11 6.644 -1.936 -10.303 1.00 0.00 S ATOM 163 CE MET A 11 6.724 -1.634 -8.521 1.00 0.00 C ATOM 0 H MET A 11 2.429 -1.590 -10.400 1.00 0.00 H new ATOM 0 HA MET A 11 3.992 0.577 -9.378 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.978 -0.785 -12.135 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.348 0.029 -11.405 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.377 -1.891 -9.483 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.479 -2.713 -11.027 1.00 0.00 H new ATOM 0 HE1 MET A 11 7.765 -1.643 -8.197 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.282 -0.663 -8.296 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.173 -2.414 -7.995 1.00 0.00 H new ATOM 173 N ALA A 12 1.851 1.477 -11.584 1.00 0.00 N ATOM 174 CA ALA A 12 1.339 2.673 -12.312 1.00 0.00 C ATOM 175 C ALA A 12 1.498 3.923 -11.444 1.00 0.00 C ATOM 176 O ALA A 12 1.638 5.023 -11.940 1.00 0.00 O ATOM 177 CB ALA A 12 -0.141 2.397 -12.580 1.00 0.00 C ATOM 0 H ALA A 12 1.218 0.677 -11.562 1.00 0.00 H new ATOM 0 HA ALA A 12 1.887 2.847 -13.238 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.578 3.241 -13.114 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.239 1.495 -13.184 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.663 2.258 -11.633 1.00 0.00 H new ATOM 183 N CYS A 13 1.478 3.760 -10.150 1.00 0.00 N ATOM 184 CA CYS A 13 1.629 4.937 -9.246 1.00 0.00 C ATOM 185 C CYS A 13 2.663 4.637 -8.159 1.00 0.00 C ATOM 186 O CYS A 13 3.387 5.508 -7.719 1.00 0.00 O ATOM 187 CB CYS A 13 0.253 5.161 -8.617 1.00 0.00 C ATOM 188 SG CYS A 13 -1.021 5.091 -9.900 1.00 0.00 S ATOM 0 H CYS A 13 1.364 2.863 -9.678 1.00 0.00 H new ATOM 0 HA CYS A 13 1.971 5.819 -9.788 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.061 4.402 -7.858 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.225 6.128 -8.115 1.00 0.00 H new ATOM 193 N HIS A 14 2.734 3.411 -7.717 1.00 0.00 N ATOM 194 CA HIS A 14 3.716 3.056 -6.654 1.00 0.00 C ATOM 195 C HIS A 14 5.128 2.973 -7.238 1.00 0.00 C ATOM 196 O HIS A 14 5.341 3.195 -8.414 1.00 0.00 O ATOM 197 CB HIS A 14 3.278 1.690 -6.126 1.00 0.00 C ATOM 198 CG HIS A 14 2.027 1.850 -5.309 1.00 0.00 C ATOM 199 ND1 HIS A 14 2.053 2.321 -4.005 1.00 0.00 N ATOM 200 CD2 HIS A 14 0.706 1.613 -5.597 1.00 0.00 C ATOM 201 CE1 HIS A 14 0.784 2.350 -3.561 1.00 0.00 C ATOM 202 NE2 HIS A 14 -0.077 1.929 -4.491 1.00 0.00 N ATOM 0 H HIS A 14 2.154 2.640 -8.047 1.00 0.00 H new ATOM 0 HA HIS A 14 3.740 3.805 -5.863 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.099 1.007 -6.956 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.069 1.252 -5.518 1.00 0.00 H new ATOM 0 HD1 HIS A 14 2.883 2.595 -3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.332 1.238 -6.538 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.496 2.674 -2.572 1.00 0.00 H new ATOM 210 N ASP A 15 6.093 2.654 -6.421 1.00 0.00 N ATOM 211 CA ASP A 15 7.496 2.555 -6.918 1.00 0.00 C ATOM 212 C ASP A 15 8.457 2.431 -5.733 1.00 0.00 C ATOM 213 O ASP A 15 8.458 3.250 -4.838 1.00 0.00 O ATOM 214 CB ASP A 15 7.760 3.851 -7.687 1.00 0.00 C ATOM 215 CG ASP A 15 7.942 3.535 -9.172 1.00 0.00 C ATOM 216 OD1 ASP A 15 8.177 2.381 -9.488 1.00 0.00 O ATOM 217 OD2 ASP A 15 7.843 4.453 -9.969 1.00 0.00 O ATOM 0 H ASP A 15 5.971 2.457 -5.428 1.00 0.00 H new ATOM 0 HA ASP A 15 7.643 1.681 -7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.929 4.543 -7.551 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.651 4.343 -7.297 1.00 0.00 H new ATOM 222 N LEU A 16 9.270 1.411 -5.719 1.00 0.00 N ATOM 223 CA LEU A 16 10.227 1.236 -4.589 1.00 0.00 C ATOM 224 C LEU A 16 10.855 2.578 -4.213 1.00 0.00 C ATOM 225 O LEU A 16 10.632 3.101 -3.139 1.00 0.00 O ATOM 226 CB LEU A 16 11.308 0.282 -5.098 1.00 0.00 C ATOM 227 CG LEU A 16 10.670 -1.041 -5.522 1.00 0.00 C ATOM 228 CD1 LEU A 16 11.763 -2.088 -5.738 1.00 0.00 C ATOM 229 CD2 LEU A 16 9.714 -1.521 -4.427 1.00 0.00 C ATOM 0 H LEU A 16 9.314 0.691 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 16 9.727 0.846 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.834 0.730 -5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.048 0.106 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 16 10.117 -0.896 -6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.308 -3.031 -6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.444 -1.747 -6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.317 -2.233 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.259 -2.464 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.267 -1.666 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.934 -0.775 -4.272 1.00 0.00 H new ATOM 241 N LYS A 17 11.641 3.138 -5.090 1.00 0.00 N ATOM 242 CA LYS A 17 12.286 4.443 -4.783 1.00 0.00 C ATOM 243 C LYS A 17 11.913 5.473 -5.850 1.00 0.00 C ATOM 244 O LYS A 17 12.740 6.236 -6.309 1.00 0.00 O ATOM 245 CB LYS A 17 13.792 4.180 -4.796 1.00 0.00 C ATOM 246 CG LYS A 17 14.477 5.083 -3.768 1.00 0.00 C ATOM 247 CD LYS A 17 15.067 4.224 -2.647 1.00 0.00 C ATOM 248 CE LYS A 17 16.554 3.984 -2.916 1.00 0.00 C ATOM 249 NZ LYS A 17 17.214 3.989 -1.580 1.00 0.00 N ATOM 0 H LYS A 17 11.864 2.748 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 17 11.962 4.839 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.991 3.133 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.197 4.371 -5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.264 5.665 -4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.760 5.794 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.936 4.722 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.539 3.272 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.711 3.034 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.966 4.762 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.235 3.829 -1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.058 4.908 -1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.811 3.233 -0.991 1.00 0.00 H new ATOM 263 N ALA A 18 10.673 5.500 -6.246 1.00 0.00 N ATOM 264 CA ALA A 18 10.239 6.479 -7.284 1.00 0.00 C ATOM 265 C ALA A 18 8.789 6.898 -7.035 1.00 0.00 C ATOM 266 O ALA A 18 7.980 6.943 -7.940 1.00 0.00 O ATOM 267 CB ALA A 18 10.358 5.749 -8.621 1.00 0.00 C ATOM 0 H ALA A 18 9.938 4.886 -5.896 1.00 0.00 H new ATOM 0 HA ALA A 18 10.848 7.383 -7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.053 6.415 -9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.392 5.441 -8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.714 4.869 -8.614 1.00 0.00 H new ATOM 273 N LYS A 19 8.457 7.202 -5.812 1.00 0.00 N ATOM 274 CA LYS A 19 7.060 7.618 -5.497 1.00 0.00 C ATOM 275 C LYS A 19 6.538 8.576 -6.572 1.00 0.00 C ATOM 276 O LYS A 19 6.750 9.769 -6.509 1.00 0.00 O ATOM 277 CB LYS A 19 7.133 8.328 -4.144 1.00 0.00 C ATOM 278 CG LYS A 19 8.009 9.576 -4.268 1.00 0.00 C ATOM 279 CD LYS A 19 8.629 9.903 -2.909 1.00 0.00 C ATOM 280 CE LYS A 19 8.794 11.419 -2.774 1.00 0.00 C ATOM 281 NZ LYS A 19 9.814 11.622 -1.707 1.00 0.00 N ATOM 0 H LYS A 19 9.093 7.181 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 19 6.382 6.765 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.132 8.605 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.544 7.656 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.793 9.411 -5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.413 10.418 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.996 9.523 -2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.597 9.411 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.119 11.862 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.849 11.893 -2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.972 12.640 -1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.477 11.199 -0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.707 11.169 -1.989 1.00 0.00 H new ATOM 295 N LYS A 20 5.855 8.059 -7.557 1.00 0.00 N ATOM 296 CA LYS A 20 5.317 8.941 -8.632 1.00 0.00 C ATOM 297 C LYS A 20 3.917 9.430 -8.256 1.00 0.00 C ATOM 298 O LYS A 20 3.755 10.458 -7.630 1.00 0.00 O ATOM 299 CB LYS A 20 5.259 8.075 -9.892 1.00 0.00 C ATOM 300 CG LYS A 20 4.394 8.765 -10.947 1.00 0.00 C ATOM 301 CD LYS A 20 5.115 8.737 -12.297 1.00 0.00 C ATOM 302 CE LYS A 20 5.570 10.151 -12.663 1.00 0.00 C ATOM 303 NZ LYS A 20 4.780 10.532 -13.867 1.00 0.00 N ATOM 0 H LYS A 20 5.647 7.066 -7.664 1.00 0.00 H new ATOM 0 HA LYS A 20 5.940 9.823 -8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.264 7.912 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.847 7.095 -9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.430 8.263 -11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.193 9.795 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.974 8.068 -12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.451 8.347 -13.068 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.390 10.845 -11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.639 10.176 -12.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.046 11.492 -14.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.976 9.861 -14.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.766 10.509 -13.638 1.00 0.00 H new ATOM 317 N VAL A 21 2.903 8.697 -8.628 1.00 0.00 N ATOM 318 CA VAL A 21 1.515 9.120 -8.287 1.00 0.00 C ATOM 319 C VAL A 21 1.180 8.699 -6.854 1.00 0.00 C ATOM 320 O VAL A 21 0.424 9.353 -6.163 1.00 0.00 O ATOM 321 CB VAL A 21 0.603 8.398 -9.281 1.00 0.00 C ATOM 322 CG1 VAL A 21 -0.844 8.461 -8.788 1.00 0.00 C ATOM 323 CG2 VAL A 21 0.704 9.077 -10.648 1.00 0.00 C ATOM 0 H VAL A 21 2.975 7.825 -9.152 1.00 0.00 H new ATOM 0 HA VAL A 21 1.393 10.201 -8.348 1.00 0.00 H new ATOM 0 HB VAL A 21 0.912 7.356 -9.366 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.493 7.946 -9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.918 7.979 -7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.154 9.502 -8.702 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.055 8.564 -11.358 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.395 10.119 -10.561 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.734 9.033 -11.001 1.00 0.00 H new ATOM 333 N GLY A 22 1.740 7.611 -6.402 1.00 0.00 N ATOM 334 CA GLY A 22 1.458 7.147 -5.013 1.00 0.00 C ATOM 335 C GLY A 22 2.775 7.018 -4.241 1.00 0.00 C ATOM 336 O GLY A 22 3.840 7.105 -4.817 1.00 0.00 O ATOM 0 H GLY A 22 2.381 7.023 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.797 7.852 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.942 6.187 -5.036 1.00 0.00 H new ATOM 340 N PRO A 23 2.657 6.811 -2.955 1.00 0.00 N ATOM 341 CA PRO A 23 3.833 6.662 -2.052 1.00 0.00 C ATOM 342 C PRO A 23 4.672 5.451 -2.469 1.00 0.00 C ATOM 343 O PRO A 23 4.168 4.354 -2.610 1.00 0.00 O ATOM 344 CB PRO A 23 3.226 6.445 -0.665 1.00 0.00 C ATOM 345 CG PRO A 23 1.700 6.472 -0.794 1.00 0.00 C ATOM 346 CD PRO A 23 1.342 6.706 -2.263 1.00 0.00 C ATOM 0 HA PRO A 23 4.496 7.527 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.555 5.491 -0.252 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.562 7.222 0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.274 5.531 -0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.281 7.262 -0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.748 5.884 -2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.754 7.615 -2.388 1.00 0.00 H new ATOM 354 N ALA A 24 5.949 5.639 -2.664 1.00 0.00 N ATOM 355 CA ALA A 24 6.816 4.495 -3.070 1.00 0.00 C ATOM 356 C ALA A 24 6.600 3.314 -2.121 1.00 0.00 C ATOM 357 O ALA A 24 6.582 3.469 -0.916 1.00 0.00 O ATOM 358 CB ALA A 24 8.255 5.002 -2.970 1.00 0.00 C ATOM 0 H ALA A 24 6.429 6.533 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 24 6.586 4.151 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.942 4.206 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.388 5.853 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.462 5.309 -1.945 1.00 0.00 H new ATOM 364 N TYR A 25 6.433 2.134 -2.653 1.00 0.00 N ATOM 365 CA TYR A 25 6.217 0.946 -1.780 1.00 0.00 C ATOM 366 C TYR A 25 7.280 0.901 -0.680 1.00 0.00 C ATOM 367 O TYR A 25 7.031 0.448 0.420 1.00 0.00 O ATOM 368 CB TYR A 25 6.341 -0.272 -2.695 1.00 0.00 C ATOM 369 CG TYR A 25 5.004 -0.558 -3.335 1.00 0.00 C ATOM 370 CD1 TYR A 25 3.840 -0.554 -2.557 1.00 0.00 C ATOM 371 CD2 TYR A 25 4.927 -0.829 -4.707 1.00 0.00 C ATOM 372 CE1 TYR A 25 2.600 -0.819 -3.150 1.00 0.00 C ATOM 373 CE2 TYR A 25 3.688 -1.094 -5.300 1.00 0.00 C ATOM 374 CZ TYR A 25 2.524 -1.089 -4.521 1.00 0.00 C ATOM 375 OH TYR A 25 1.302 -1.351 -5.106 1.00 0.00 O ATOM 0 H TYR A 25 6.437 1.942 -3.655 1.00 0.00 H new ATOM 0 HA TYR A 25 5.245 0.977 -1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.092 -0.088 -3.463 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.675 -1.138 -2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.899 -0.346 -1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.825 -0.833 -5.307 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.702 -0.815 -2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.629 -1.302 -6.358 1.00 0.00 H new ATOM 0 HH TYR A 25 0.641 -1.546 -4.409 1.00 0.00 H new ATOM 385 N ALA A 26 8.464 1.369 -0.967 1.00 0.00 N ATOM 386 CA ALA A 26 9.540 1.355 0.064 1.00 0.00 C ATOM 387 C ALA A 26 9.238 2.391 1.150 1.00 0.00 C ATOM 388 O ALA A 26 9.340 2.117 2.330 1.00 0.00 O ATOM 389 CB ALA A 26 10.830 1.718 -0.673 1.00 0.00 C ATOM 0 H ALA A 26 8.732 1.760 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 26 9.620 0.384 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.662 1.725 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.022 0.982 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.727 2.706 -1.122 1.00 0.00 H new ATOM 395 N ASP A 27 8.863 3.579 0.761 1.00 0.00 N ATOM 396 CA ASP A 27 8.552 4.631 1.769 1.00 0.00 C ATOM 397 C ASP A 27 7.396 4.174 2.662 1.00 0.00 C ATOM 398 O ASP A 27 7.434 4.319 3.868 1.00 0.00 O ATOM 399 CB ASP A 27 8.151 5.871 0.969 1.00 0.00 C ATOM 400 CG ASP A 27 9.359 6.796 0.819 1.00 0.00 C ATOM 401 OD1 ASP A 27 10.266 6.689 1.629 1.00 0.00 O ATOM 402 OD2 ASP A 27 9.358 7.597 -0.102 1.00 0.00 O ATOM 0 H ASP A 27 8.759 3.866 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 27 9.404 4.835 2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.780 5.578 -0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.339 6.395 1.473 1.00 0.00 H new ATOM 407 N VAL A 28 6.366 3.624 2.079 1.00 0.00 N ATOM 408 CA VAL A 28 5.210 3.158 2.893 1.00 0.00 C ATOM 409 C VAL A 28 5.680 2.137 3.931 1.00 0.00 C ATOM 410 O VAL A 28 5.318 2.202 5.089 1.00 0.00 O ATOM 411 CB VAL A 28 4.240 2.506 1.907 1.00 0.00 C ATOM 412 CG1 VAL A 28 3.206 1.680 2.675 1.00 0.00 C ATOM 413 CG2 VAL A 28 3.526 3.593 1.102 1.00 0.00 C ATOM 0 H VAL A 28 6.276 3.478 1.074 1.00 0.00 H new ATOM 0 HA VAL A 28 4.738 3.979 3.433 1.00 0.00 H new ATOM 0 HB VAL A 28 4.794 1.855 1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.515 1.216 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.713 0.905 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.652 2.330 3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.834 3.130 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.973 4.244 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.261 4.182 0.553 1.00 0.00 H new ATOM 423 N ALA A 29 6.487 1.195 3.524 1.00 0.00 N ATOM 424 CA ALA A 29 6.982 0.171 4.488 1.00 0.00 C ATOM 425 C ALA A 29 7.602 0.859 5.705 1.00 0.00 C ATOM 426 O ALA A 29 7.245 0.586 6.834 1.00 0.00 O ATOM 427 CB ALA A 29 8.041 -0.634 3.734 1.00 0.00 C ATOM 0 H ALA A 29 6.825 1.090 2.567 1.00 0.00 H new ATOM 0 HA ALA A 29 6.178 -0.470 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.446 -1.406 4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.589 -1.101 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.845 0.030 3.416 1.00 0.00 H new ATOM 433 N LYS A 30 8.528 1.753 5.486 1.00 0.00 N ATOM 434 CA LYS A 30 9.167 2.459 6.633 1.00 0.00 C ATOM 435 C LYS A 30 8.096 3.125 7.499 1.00 0.00 C ATOM 436 O LYS A 30 8.118 3.035 8.711 1.00 0.00 O ATOM 437 CB LYS A 30 10.084 3.515 6.015 1.00 0.00 C ATOM 438 CG LYS A 30 11.024 4.067 7.088 1.00 0.00 C ATOM 439 CD LYS A 30 11.589 5.412 6.630 1.00 0.00 C ATOM 440 CE LYS A 30 12.586 5.186 5.490 1.00 0.00 C ATOM 441 NZ LYS A 30 12.619 6.463 4.723 1.00 0.00 N ATOM 0 H LYS A 30 8.869 2.025 4.564 1.00 0.00 H new ATOM 0 HA LYS A 30 9.723 1.773 7.272 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.662 3.078 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.490 4.322 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.487 4.188 8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.836 3.363 7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.781 6.063 6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.081 5.915 7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.574 4.937 5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.274 4.356 4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.284 6.373 3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.668 6.673 4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.928 7.235 5.347 1.00 0.00 H new ATOM 455 N LYS A 31 7.156 3.791 6.886 1.00 0.00 N ATOM 456 CA LYS A 31 6.083 4.461 7.674 1.00 0.00 C ATOM 457 C LYS A 31 5.365 3.438 8.558 1.00 0.00 C ATOM 458 O LYS A 31 4.932 3.744 9.652 1.00 0.00 O ATOM 459 CB LYS A 31 5.115 5.048 6.646 1.00 0.00 C ATOM 460 CG LYS A 31 4.746 6.476 7.048 1.00 0.00 C ATOM 461 CD LYS A 31 3.252 6.547 7.367 1.00 0.00 C ATOM 462 CE LYS A 31 2.587 7.598 6.475 1.00 0.00 C ATOM 463 NZ LYS A 31 1.754 8.434 7.385 1.00 0.00 N ATOM 0 H LYS A 31 7.085 3.900 5.874 1.00 0.00 H new ATOM 0 HA LYS A 31 6.485 5.233 8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.573 5.044 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.217 4.433 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.329 6.783 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.989 7.167 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.789 5.573 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.105 6.801 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.333 8.204 5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.974 7.127 5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.272 9.173 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.045 7.835 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.362 8.878 8.102 1.00 0.00 H new ATOM 477 N TYR A 32 5.236 2.225 8.093 1.00 0.00 N ATOM 478 CA TYR A 32 4.546 1.185 8.908 1.00 0.00 C ATOM 479 C TYR A 32 5.576 0.247 9.545 1.00 0.00 C ATOM 480 O TYR A 32 5.233 -0.664 10.273 1.00 0.00 O ATOM 481 CB TYR A 32 3.657 0.413 7.932 1.00 0.00 C ATOM 482 CG TYR A 32 2.466 1.263 7.555 1.00 0.00 C ATOM 483 CD1 TYR A 32 2.626 2.339 6.674 1.00 0.00 C ATOM 484 CD2 TYR A 32 1.204 0.974 8.085 1.00 0.00 C ATOM 485 CE1 TYR A 32 1.524 3.126 6.323 1.00 0.00 C ATOM 486 CE2 TYR A 32 0.101 1.762 7.736 1.00 0.00 C ATOM 487 CZ TYR A 32 0.261 2.838 6.855 1.00 0.00 C ATOM 488 OH TYR A 32 -0.827 3.614 6.509 1.00 0.00 O ATOM 0 H TYR A 32 5.578 1.910 7.185 1.00 0.00 H new ATOM 0 HA TYR A 32 3.963 1.626 9.717 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.224 0.146 7.040 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.322 -0.519 8.387 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.601 2.562 6.265 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.081 0.143 8.763 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.647 3.955 5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.873 1.540 8.146 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.627 3.278 6.965 1.00 0.00 H new ATOM 498 N ALA A 33 6.835 0.463 9.278 1.00 0.00 N ATOM 499 CA ALA A 33 7.884 -0.416 9.869 1.00 0.00 C ATOM 500 C ALA A 33 7.813 -0.363 11.396 1.00 0.00 C ATOM 501 O ALA A 33 8.143 -1.314 12.077 1.00 0.00 O ATOM 502 CB ALA A 33 9.220 0.139 9.377 1.00 0.00 C ATOM 0 H ALA A 33 7.183 1.210 8.676 1.00 0.00 H new ATOM 0 HA ALA A 33 7.753 -1.457 9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.034 -0.465 9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.248 0.109 8.288 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.332 1.169 9.714 1.00 0.00 H new ATOM 508 N GLY A 34 7.387 0.743 11.942 1.00 0.00 N ATOM 509 CA GLY A 34 7.295 0.856 13.425 1.00 0.00 C ATOM 510 C GLY A 34 5.942 0.321 13.896 1.00 0.00 C ATOM 511 O GLY A 34 5.524 0.557 15.011 1.00 0.00 O ATOM 0 H GLY A 34 7.099 1.574 11.425 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.103 0.294 13.894 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.412 1.896 13.729 1.00 0.00 H new ATOM 515 N ARG A 35 5.253 -0.399 13.052 1.00 0.00 N ATOM 516 CA ARG A 35 3.926 -0.948 13.452 1.00 0.00 C ATOM 517 C ARG A 35 3.896 -2.463 13.229 1.00 0.00 C ATOM 518 O ARG A 35 4.601 -2.991 12.393 1.00 0.00 O ATOM 519 CB ARG A 35 2.901 -0.259 12.551 1.00 0.00 C ATOM 520 CG ARG A 35 1.489 -0.575 13.047 1.00 0.00 C ATOM 521 CD ARG A 35 0.508 0.464 12.497 1.00 0.00 C ATOM 522 NE ARG A 35 -0.192 1.029 13.684 1.00 0.00 N ATOM 523 CZ ARG A 35 -0.943 2.090 13.559 1.00 0.00 C ATOM 524 NH1 ARG A 35 -1.084 2.661 12.393 1.00 0.00 N ATOM 525 NH2 ARG A 35 -1.555 2.580 14.602 1.00 0.00 N ATOM 0 H ARG A 35 5.551 -0.630 12.104 1.00 0.00 H new ATOM 0 HA ARG A 35 3.716 -0.769 14.506 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.066 0.818 12.553 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.020 -0.598 11.522 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.195 -1.574 12.726 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.466 -0.571 14.137 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.033 1.244 11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.200 0.006 11.807 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.085 0.586 14.597 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.607 2.278 11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.671 3.490 12.299 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.446 2.134 15.513 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.142 3.409 14.506 1.00 0.00 H new ATOM 539 N LYS A 36 3.083 -3.165 13.972 1.00 0.00 N ATOM 540 CA LYS A 36 3.010 -4.644 13.802 1.00 0.00 C ATOM 541 C LYS A 36 1.699 -5.028 13.110 1.00 0.00 C ATOM 542 O LYS A 36 1.575 -6.095 12.540 1.00 0.00 O ATOM 543 CB LYS A 36 3.057 -5.229 15.214 1.00 0.00 C ATOM 544 CG LYS A 36 3.938 -6.480 15.220 1.00 0.00 C ATOM 545 CD LYS A 36 3.335 -7.525 16.162 1.00 0.00 C ATOM 546 CE LYS A 36 4.062 -7.478 17.508 1.00 0.00 C ATOM 547 NZ LYS A 36 4.900 -8.707 17.558 1.00 0.00 N ATOM 0 H LYS A 36 2.468 -2.779 14.688 1.00 0.00 H new ATOM 0 HA LYS A 36 3.826 -5.021 13.186 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.451 -4.490 15.912 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.050 -5.479 15.549 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.017 -6.887 14.212 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.948 -6.225 15.541 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.272 -7.332 16.304 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.423 -8.519 15.724 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.677 -6.582 17.589 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.353 -7.454 18.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.424 -8.734 18.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.290 -9.546 17.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.573 -8.701 16.765 1.00 0.00 H new ATOM 561 N ASP A 37 0.718 -4.168 13.155 1.00 0.00 N ATOM 562 CA ASP A 37 -0.582 -4.485 12.500 1.00 0.00 C ATOM 563 C ASP A 37 -0.635 -3.858 11.104 1.00 0.00 C ATOM 564 O ASP A 37 -1.682 -3.759 10.497 1.00 0.00 O ATOM 565 CB ASP A 37 -1.661 -3.875 13.396 1.00 0.00 C ATOM 566 CG ASP A 37 -1.919 -4.802 14.585 1.00 0.00 C ATOM 567 OD1 ASP A 37 -1.367 -5.890 14.595 1.00 0.00 O ATOM 568 OD2 ASP A 37 -2.667 -4.410 15.467 1.00 0.00 O ATOM 0 H ASP A 37 0.761 -3.260 13.617 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.721 -5.559 12.380 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.344 -2.893 13.748 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.580 -3.729 12.829 1.00 0.00 H new ATOM 573 N ALA A 38 0.488 -3.433 10.592 1.00 0.00 N ATOM 574 CA ALA A 38 0.502 -2.814 9.235 1.00 0.00 C ATOM 575 C ALA A 38 -0.022 -3.809 8.198 1.00 0.00 C ATOM 576 O ALA A 38 -0.468 -3.431 7.131 1.00 0.00 O ATOM 577 CB ALA A 38 1.963 -2.468 8.950 1.00 0.00 C ATOM 0 H ALA A 38 1.396 -3.487 11.054 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.134 -1.930 9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.043 -2.008 7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.326 -1.772 9.706 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.564 -3.377 8.976 1.00 0.00 H new ATOM 583 N VAL A 39 0.027 -5.077 8.500 1.00 0.00 N ATOM 584 CA VAL A 39 -0.468 -6.095 7.529 1.00 0.00 C ATOM 585 C VAL A 39 -1.990 -5.992 7.393 1.00 0.00 C ATOM 586 O VAL A 39 -2.514 -5.804 6.313 1.00 0.00 O ATOM 587 CB VAL A 39 -0.078 -7.452 8.113 1.00 0.00 C ATOM 588 CG1 VAL A 39 -0.198 -8.528 7.030 1.00 0.00 C ATOM 589 CG2 VAL A 39 1.367 -7.394 8.613 1.00 0.00 C ATOM 0 H VAL A 39 0.388 -5.453 9.377 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.041 -5.950 6.537 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.742 -7.695 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.080 -9.496 7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.226 -8.570 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.467 -8.285 6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.647 -8.361 9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.030 -7.151 7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.455 -6.628 9.383 1.00 0.00 H new ATOM 599 N ASP A 40 -2.703 -6.114 8.479 1.00 0.00 N ATOM 600 CA ASP A 40 -4.189 -6.023 8.410 1.00 0.00 C ATOM 601 C ASP A 40 -4.606 -4.674 7.821 1.00 0.00 C ATOM 602 O ASP A 40 -5.365 -4.607 6.874 1.00 0.00 O ATOM 603 CB ASP A 40 -4.683 -6.149 9.852 1.00 0.00 C ATOM 604 CG ASP A 40 -5.810 -7.181 9.919 1.00 0.00 C ATOM 605 OD1 ASP A 40 -6.488 -7.354 8.920 1.00 0.00 O ATOM 606 OD2 ASP A 40 -5.975 -7.782 10.968 1.00 0.00 O ATOM 0 H ASP A 40 -2.321 -6.273 9.411 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.612 -6.801 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.862 -6.449 10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.039 -5.183 10.211 1.00 0.00 H new ATOM 611 N TYR A 41 -4.116 -3.598 8.373 1.00 0.00 N ATOM 612 CA TYR A 41 -4.484 -2.254 7.843 1.00 0.00 C ATOM 613 C TYR A 41 -4.246 -2.202 6.332 1.00 0.00 C ATOM 614 O TYR A 41 -5.167 -2.047 5.554 1.00 0.00 O ATOM 615 CB TYR A 41 -3.571 -1.258 8.559 1.00 0.00 C ATOM 616 CG TYR A 41 -4.177 0.122 8.490 1.00 0.00 C ATOM 617 CD1 TYR A 41 -4.042 0.889 7.327 1.00 0.00 C ATOM 618 CD2 TYR A 41 -4.874 0.636 9.590 1.00 0.00 C ATOM 619 CE1 TYR A 41 -4.605 2.169 7.264 1.00 0.00 C ATOM 620 CE2 TYR A 41 -5.437 1.916 9.527 1.00 0.00 C ATOM 621 CZ TYR A 41 -5.303 2.683 8.363 1.00 0.00 C ATOM 622 OH TYR A 41 -5.858 3.944 8.301 1.00 0.00 O ATOM 0 H TYR A 41 -3.477 -3.591 9.168 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.536 -2.026 8.015 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.436 -1.555 9.599 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.584 -1.256 8.097 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.504 0.493 6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.977 0.045 10.488 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.501 2.761 6.366 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.975 2.312 10.376 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.308 4.146 9.148 1.00 0.00 H new ATOM 632 N LEU A 42 -3.018 -2.330 5.910 1.00 0.00 N ATOM 633 CA LEU A 42 -2.724 -2.289 4.449 1.00 0.00 C ATOM 634 C LEU A 42 -3.759 -3.111 3.681 1.00 0.00 C ATOM 635 O LEU A 42 -4.629 -2.575 3.024 1.00 0.00 O ATOM 636 CB LEU A 42 -1.331 -2.902 4.287 1.00 0.00 C ATOM 637 CG LEU A 42 -0.278 -1.924 4.812 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.086 -2.614 4.852 1.00 0.00 C ATOM 639 CD2 LEU A 42 -0.206 -0.709 3.884 1.00 0.00 C ATOM 0 H LEU A 42 -2.206 -2.461 6.513 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.762 -1.272 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.271 -3.844 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.141 -3.128 3.238 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.551 -1.601 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.836 -1.917 5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.036 -3.481 5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.360 -2.937 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.544 -0.011 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.067 -1.034 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.178 -0.216 3.854 1.00 0.00 H new ATOM 651 N ALA A 43 -3.669 -4.407 3.759 1.00 0.00 N ATOM 652 CA ALA A 43 -4.646 -5.271 3.034 1.00 0.00 C ATOM 653 C ALA A 43 -6.061 -4.707 3.189 1.00 0.00 C ATOM 654 O ALA A 43 -6.833 -4.676 2.252 1.00 0.00 O ATOM 655 CB ALA A 43 -4.549 -6.649 3.688 1.00 0.00 C ATOM 0 H ALA A 43 -2.960 -4.909 4.294 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.429 -5.319 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.244 -7.333 3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.533 -7.030 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.801 -6.569 4.745 1.00 0.00 H new ATOM 661 N GLY A 44 -6.406 -4.261 4.366 1.00 0.00 N ATOM 662 CA GLY A 44 -7.771 -3.699 4.578 1.00 0.00 C ATOM 663 C GLY A 44 -8.010 -2.552 3.596 1.00 0.00 C ATOM 664 O GLY A 44 -9.079 -2.412 3.038 1.00 0.00 O ATOM 0 H GLY A 44 -5.803 -4.261 5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.522 -4.476 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.873 -3.342 5.603 1.00 0.00 H new ATOM 668 N LYS A 45 -7.020 -1.729 3.378 1.00 0.00 N ATOM 669 CA LYS A 45 -7.191 -0.591 2.430 1.00 0.00 C ATOM 670 C LYS A 45 -6.867 -1.042 1.004 1.00 0.00 C ATOM 671 O LYS A 45 -7.169 -0.363 0.043 1.00 0.00 O ATOM 672 CB LYS A 45 -6.204 0.484 2.887 1.00 0.00 C ATOM 673 CG LYS A 45 -6.678 1.854 2.397 1.00 0.00 C ATOM 674 CD LYS A 45 -7.192 2.671 3.584 1.00 0.00 C ATOM 675 CE LYS A 45 -8.354 3.556 3.130 1.00 0.00 C ATOM 676 NZ LYS A 45 -7.754 4.592 2.245 1.00 0.00 N ATOM 0 H LYS A 45 -6.101 -1.796 3.815 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.215 -0.217 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.125 0.482 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.210 0.270 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.859 2.380 1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.468 1.734 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.519 2.005 4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.389 3.287 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.104 2.973 2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.854 4.013 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.367 5.432 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.815 4.855 2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.661 4.213 1.281 1.00 0.00 H new ATOM 690 N ILE A 46 -6.253 -2.185 0.859 1.00 0.00 N ATOM 691 CA ILE A 46 -5.911 -2.680 -0.506 1.00 0.00 C ATOM 692 C ILE A 46 -7.187 -3.065 -1.259 1.00 0.00 C ATOM 693 O ILE A 46 -7.376 -2.707 -2.405 1.00 0.00 O ATOM 694 CB ILE A 46 -5.025 -3.908 -0.295 1.00 0.00 C ATOM 695 CG1 ILE A 46 -3.626 -3.460 0.131 1.00 0.00 C ATOM 696 CG2 ILE A 46 -4.928 -4.701 -1.600 1.00 0.00 C ATOM 697 CD1 ILE A 46 -2.763 -4.688 0.428 1.00 0.00 C ATOM 0 H ILE A 46 -5.974 -2.797 1.626 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.402 -1.919 -1.097 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.459 -4.538 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.168 -2.863 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.690 -2.825 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.296 -5.576 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.924 -5.021 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.495 -4.071 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.766 -4.368 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.218 -5.267 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.689 -5.306 -0.467 1.00 0.00 H new ATOM 709 N LYS A 47 -8.064 -3.793 -0.623 1.00 0.00 N ATOM 710 CA LYS A 47 -9.327 -4.201 -1.303 1.00 0.00 C ATOM 711 C LYS A 47 -10.362 -3.077 -1.207 1.00 0.00 C ATOM 712 O LYS A 47 -11.375 -3.094 -1.877 1.00 0.00 O ATOM 713 CB LYS A 47 -9.820 -5.442 -0.558 1.00 0.00 C ATOM 714 CG LYS A 47 -10.973 -6.080 -1.334 1.00 0.00 C ATOM 715 CD LYS A 47 -12.137 -6.360 -0.382 1.00 0.00 C ATOM 716 CE LYS A 47 -11.722 -7.429 0.632 1.00 0.00 C ATOM 717 NZ LYS A 47 -12.438 -7.091 1.893 1.00 0.00 N ATOM 0 H LYS A 47 -7.961 -4.123 0.337 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.168 -4.407 -2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.006 -6.157 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.149 -5.170 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.297 -5.416 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.641 -7.007 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.425 -5.445 0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.008 -6.696 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.993 -8.425 0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.642 -7.427 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.195 -7.787 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.155 -6.141 2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.464 -7.109 1.725 1.00 0.00 H new ATOM 731 N LYS A 48 -10.114 -2.100 -0.380 1.00 0.00 N ATOM 732 CA LYS A 48 -11.083 -0.976 -0.240 1.00 0.00 C ATOM 733 C LYS A 48 -10.658 0.198 -1.127 1.00 0.00 C ATOM 734 O LYS A 48 -11.478 0.879 -1.708 1.00 0.00 O ATOM 735 CB LYS A 48 -11.044 -0.570 1.233 1.00 0.00 C ATOM 736 CG LYS A 48 -12.287 0.255 1.570 1.00 0.00 C ATOM 737 CD LYS A 48 -12.554 0.185 3.075 1.00 0.00 C ATOM 738 CE LYS A 48 -14.063 0.155 3.326 1.00 0.00 C ATOM 739 NZ LYS A 48 -14.343 1.288 4.250 1.00 0.00 N ATOM 0 H LYS A 48 -9.282 -2.031 0.206 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.087 -1.269 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.002 -1.457 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.144 0.010 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.143 1.291 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.148 -0.124 1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.087 -0.705 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.109 1.046 3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.617 0.265 2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.367 -0.794 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.361 1.321 4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.811 1.155 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.053 2.181 3.802 1.00 0.00 H new ATOM 753 N GLY A 49 -9.379 0.439 -1.234 1.00 0.00 N ATOM 754 CA GLY A 49 -8.902 1.568 -2.083 1.00 0.00 C ATOM 755 C GLY A 49 -9.237 2.896 -1.402 1.00 0.00 C ATOM 756 O GLY A 49 -9.507 2.947 -0.218 1.00 0.00 O ATOM 0 H GLY A 49 -8.645 -0.096 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.826 1.489 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.372 1.522 -3.065 1.00 0.00 H new ATOM 760 N GLY A 50 -9.222 3.972 -2.140 1.00 0.00 N ATOM 761 CA GLY A 50 -9.539 5.296 -1.533 1.00 0.00 C ATOM 762 C GLY A 50 -8.241 6.001 -1.135 1.00 0.00 C ATOM 763 O GLY A 50 -7.250 5.939 -1.835 1.00 0.00 O ATOM 0 H GLY A 50 -9.004 3.992 -3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.095 5.909 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.176 5.163 -0.658 1.00 0.00 H new ATOM 767 N SER A 51 -8.238 6.671 -0.015 1.00 0.00 N ATOM 768 CA SER A 51 -7.003 7.379 0.428 1.00 0.00 C ATOM 769 C SER A 51 -7.318 8.289 1.619 1.00 0.00 C ATOM 770 O SER A 51 -8.423 8.307 2.122 1.00 0.00 O ATOM 771 CB SER A 51 -6.546 8.211 -0.770 1.00 0.00 C ATOM 772 OG SER A 51 -7.684 8.730 -1.443 1.00 0.00 O ATOM 0 H SER A 51 -9.037 6.759 0.613 1.00 0.00 H new ATOM 0 HA SER A 51 -6.229 6.681 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.903 9.026 -0.437 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.956 7.597 -1.450 1.00 0.00 H new ATOM 0 HG SER A 51 -7.506 9.652 -1.724 1.00 0.00 H new ATOM 778 N GLY A 52 -6.354 9.043 2.071 1.00 0.00 N ATOM 779 CA GLY A 52 -6.600 9.951 3.228 1.00 0.00 C ATOM 780 C GLY A 52 -5.400 9.907 4.175 1.00 0.00 C ATOM 781 O GLY A 52 -5.270 10.723 5.067 1.00 0.00 O ATOM 0 H GLY A 52 -5.408 9.070 1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.762 10.970 2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.504 9.648 3.756 1.00 0.00 H new ATOM 785 N VAL A 53 -4.520 8.962 3.990 1.00 0.00 N ATOM 786 CA VAL A 53 -3.328 8.867 4.881 1.00 0.00 C ATOM 787 C VAL A 53 -2.080 9.362 4.145 1.00 0.00 C ATOM 788 O VAL A 53 -1.111 9.772 4.752 1.00 0.00 O ATOM 789 CB VAL A 53 -3.186 7.387 5.234 1.00 0.00 C ATOM 790 CG1 VAL A 53 -1.930 7.181 6.082 1.00 0.00 C ATOM 791 CG2 VAL A 53 -4.415 6.932 6.025 1.00 0.00 C ATOM 0 H VAL A 53 -4.574 8.251 3.261 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.443 9.480 5.775 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.105 6.802 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.830 6.125 6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.054 7.505 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.010 7.766 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.315 5.876 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.496 7.518 6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.311 7.077 5.421 1.00 0.00 H new ATOM 801 N TRP A 54 -2.097 9.325 2.841 1.00 0.00 N ATOM 802 CA TRP A 54 -0.911 9.793 2.067 1.00 0.00 C ATOM 803 C TRP A 54 -1.256 11.072 1.300 1.00 0.00 C ATOM 804 O TRP A 54 -0.393 11.864 0.975 1.00 0.00 O ATOM 805 CB TRP A 54 -0.575 8.663 1.095 1.00 0.00 C ATOM 806 CG TRP A 54 0.055 7.531 1.843 1.00 0.00 C ATOM 807 CD1 TRP A 54 -0.594 6.421 2.262 1.00 0.00 C ATOM 808 CD2 TRP A 54 1.441 7.381 2.265 1.00 0.00 C ATOM 809 NE1 TRP A 54 0.307 5.599 2.917 1.00 0.00 N ATOM 810 CE2 TRP A 54 1.574 6.147 2.944 1.00 0.00 C ATOM 811 CE3 TRP A 54 2.585 8.188 2.128 1.00 0.00 C ATOM 812 CZ2 TRP A 54 2.797 5.727 3.468 1.00 0.00 C ATOM 813 CZ3 TRP A 54 3.818 7.769 2.653 1.00 0.00 C ATOM 814 CH2 TRP A 54 3.924 6.541 3.322 1.00 0.00 C ATOM 0 H TRP A 54 -2.879 8.992 2.278 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.068 10.022 2.718 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.479 8.321 0.592 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.103 9.024 0.322 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.642 6.211 2.111 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.064 4.698 3.329 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.514 9.136 1.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 2.872 4.780 3.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.690 8.396 2.541 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.875 6.225 3.724 1.00 0.00 H new ATOM 825 N GLY A 55 -2.510 11.279 1.007 1.00 0.00 N ATOM 826 CA GLY A 55 -2.909 12.506 0.259 1.00 0.00 C ATOM 827 C GLY A 55 -4.370 12.387 -0.176 1.00 0.00 C ATOM 828 O GLY A 55 -5.144 11.654 0.406 1.00 0.00 O ATOM 0 H GLY A 55 -3.276 10.652 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.776 13.387 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.269 12.637 -0.613 1.00 0.00 H new ATOM 832 N SER A 56 -4.755 13.105 -1.196 1.00 0.00 N ATOM 833 CA SER A 56 -6.168 13.033 -1.668 1.00 0.00 C ATOM 834 C SER A 56 -6.233 12.326 -3.025 1.00 0.00 C ATOM 835 O SER A 56 -6.769 12.848 -3.982 1.00 0.00 O ATOM 836 CB SER A 56 -6.638 14.480 -1.799 1.00 0.00 C ATOM 837 OG SER A 56 -8.053 14.505 -1.924 1.00 0.00 O ATOM 0 H SER A 56 -4.153 13.738 -1.723 1.00 0.00 H new ATOM 0 HA SER A 56 -6.797 12.470 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.328 15.055 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.176 14.947 -2.669 1.00 0.00 H new ATOM 0 HG SER A 56 -8.321 13.994 -2.716 1.00 0.00 H new ATOM 843 N VAL A 57 -5.693 11.141 -3.114 1.00 0.00 N ATOM 844 CA VAL A 57 -5.725 10.403 -4.409 1.00 0.00 C ATOM 845 C VAL A 57 -6.465 9.072 -4.237 1.00 0.00 C ATOM 846 O VAL A 57 -5.888 8.095 -3.803 1.00 0.00 O ATOM 847 CB VAL A 57 -4.264 10.152 -4.782 1.00 0.00 C ATOM 848 CG1 VAL A 57 -4.187 9.608 -6.209 1.00 0.00 C ATOM 849 CG2 VAL A 57 -3.484 11.467 -4.696 1.00 0.00 C ATOM 0 H VAL A 57 -5.231 10.652 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.244 10.968 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.833 9.426 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.145 9.429 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.743 8.673 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.618 10.334 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.442 11.290 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.916 12.192 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.538 11.856 -3.679 1.00 0.00 H new ATOM 859 N PRO A 58 -7.727 9.078 -4.584 1.00 0.00 N ATOM 860 CA PRO A 58 -8.596 7.873 -4.482 1.00 0.00 C ATOM 861 C PRO A 58 -8.043 6.743 -5.355 1.00 0.00 C ATOM 862 O PRO A 58 -8.398 6.605 -6.508 1.00 0.00 O ATOM 863 CB PRO A 58 -9.959 8.336 -4.998 1.00 0.00 C ATOM 864 CG PRO A 58 -9.851 9.812 -5.393 1.00 0.00 C ATOM 865 CD PRO A 58 -8.422 10.284 -5.115 1.00 0.00 C ATOM 0 HA PRO A 58 -8.652 7.483 -3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.264 7.735 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.720 8.204 -4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.094 9.941 -6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.565 10.409 -4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.942 10.651 -6.022 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.407 11.101 -4.393 1.00 0.00 H new ATOM 873 N MET A 59 -7.174 5.933 -4.813 1.00 0.00 N ATOM 874 CA MET A 59 -6.598 4.813 -5.611 1.00 0.00 C ATOM 875 C MET A 59 -7.719 3.878 -6.082 1.00 0.00 C ATOM 876 O MET A 59 -8.637 3.595 -5.340 1.00 0.00 O ATOM 877 CB MET A 59 -5.648 4.079 -4.664 1.00 0.00 C ATOM 878 CG MET A 59 -5.263 2.724 -5.263 1.00 0.00 C ATOM 879 SD MET A 59 -4.365 1.757 -4.023 1.00 0.00 S ATOM 880 CE MET A 59 -4.958 0.125 -4.530 1.00 0.00 C ATOM 0 H MET A 59 -6.838 5.999 -3.852 1.00 0.00 H new ATOM 0 HA MET A 59 -6.078 5.168 -6.500 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.754 4.679 -4.494 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.125 3.936 -3.694 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.156 2.187 -5.583 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.643 2.867 -6.148 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.592 -0.628 -3.832 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.048 0.118 -4.532 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.592 -0.100 -5.532 1.00 0.00 H new ATOM 890 N PRO A 60 -7.610 3.428 -7.307 1.00 0.00 N ATOM 891 CA PRO A 60 -8.616 2.513 -7.921 1.00 0.00 C ATOM 892 C PRO A 60 -8.661 1.183 -7.159 1.00 0.00 C ATOM 893 O PRO A 60 -7.645 0.702 -6.696 1.00 0.00 O ATOM 894 CB PRO A 60 -8.115 2.296 -9.349 1.00 0.00 C ATOM 895 CG PRO A 60 -6.821 3.092 -9.536 1.00 0.00 C ATOM 896 CD PRO A 60 -6.480 3.780 -8.212 1.00 0.00 C ATOM 0 HA PRO A 60 -9.625 2.924 -7.894 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.937 1.236 -9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.867 2.621 -10.068 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.010 2.430 -9.839 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.942 3.832 -10.327 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.528 3.427 -7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.393 4.859 -8.336 1.00 0.00 H new ATOM 904 N PRO A 61 -9.842 0.629 -7.054 1.00 0.00 N ATOM 905 CA PRO A 61 -10.064 -0.665 -6.350 1.00 0.00 C ATOM 906 C PRO A 61 -9.300 -1.788 -7.057 1.00 0.00 C ATOM 907 O PRO A 61 -8.850 -1.635 -8.175 1.00 0.00 O ATOM 908 CB PRO A 61 -11.572 -0.900 -6.442 1.00 0.00 C ATOM 909 CG PRO A 61 -12.199 0.270 -7.205 1.00 0.00 C ATOM 910 CD PRO A 61 -11.081 1.228 -7.624 1.00 0.00 C ATOM 0 HA PRO A 61 -9.713 -0.646 -5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.779 -1.840 -6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.005 -0.978 -5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.736 -0.093 -8.082 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.925 0.786 -6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.018 1.313 -8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.252 2.232 -7.235 1.00 0.00 H new ATOM 918 N GLN A 62 -9.149 -2.914 -6.415 1.00 0.00 N ATOM 919 CA GLN A 62 -8.414 -4.041 -7.056 1.00 0.00 C ATOM 920 C GLN A 62 -9.156 -5.358 -6.817 1.00 0.00 C ATOM 921 O GLN A 62 -10.021 -5.450 -5.968 1.00 0.00 O ATOM 922 CB GLN A 62 -7.040 -4.075 -6.387 1.00 0.00 C ATOM 923 CG GLN A 62 -6.481 -2.653 -6.299 1.00 0.00 C ATOM 924 CD GLN A 62 -6.355 -2.067 -7.707 1.00 0.00 C ATOM 925 OE1 GLN A 62 -6.588 -2.750 -8.685 1.00 0.00 O ATOM 926 NE2 GLN A 62 -5.995 -0.821 -7.853 1.00 0.00 N ATOM 0 H GLN A 62 -9.502 -3.102 -5.477 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.331 -3.908 -8.135 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.120 -4.508 -5.390 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.361 -4.709 -6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.137 -2.030 -5.691 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.507 -2.663 -5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.799 -0.247 -7.033 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.909 -0.421 -8.787 1.00 0.00 H new ATOM 935 N ASN A 63 -8.824 -6.380 -7.557 1.00 0.00 N ATOM 936 CA ASN A 63 -9.510 -7.690 -7.373 1.00 0.00 C ATOM 937 C ASN A 63 -8.588 -8.665 -6.637 1.00 0.00 C ATOM 938 O ASN A 63 -8.216 -9.698 -7.160 1.00 0.00 O ATOM 939 CB ASN A 63 -9.814 -8.205 -8.780 1.00 0.00 C ATOM 940 CG ASN A 63 -11.320 -8.122 -9.041 1.00 0.00 C ATOM 941 OD1 ASN A 63 -11.806 -7.131 -9.548 1.00 0.00 O ATOM 942 ND2 ASN A 63 -12.083 -9.128 -8.713 1.00 0.00 N ATOM 0 H ASN A 63 -8.107 -6.364 -8.282 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.419 -7.590 -6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.273 -7.614 -9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.473 -9.235 -8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.088 -9.082 -8.882 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.675 -9.960 -8.287 1.00 0.00 H new ATOM 949 N VAL A 64 -8.216 -8.346 -5.429 1.00 0.00 N ATOM 950 CA VAL A 64 -7.318 -9.255 -4.660 1.00 0.00 C ATOM 951 C VAL A 64 -8.056 -9.821 -3.446 1.00 0.00 C ATOM 952 O VAL A 64 -9.003 -9.239 -2.954 1.00 0.00 O ATOM 953 CB VAL A 64 -6.137 -8.394 -4.210 1.00 0.00 C ATOM 954 CG1 VAL A 64 -5.192 -8.162 -5.391 1.00 0.00 C ATOM 955 CG2 VAL A 64 -6.652 -7.047 -3.699 1.00 0.00 C ATOM 0 H VAL A 64 -8.494 -7.495 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.989 -10.101 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.601 -8.906 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.351 -7.548 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.823 -9.121 -5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.728 -7.652 -6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.810 -6.434 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.190 -6.536 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.324 -7.210 -2.856 1.00 0.00 H new ATOM 965 N THR A 65 -7.629 -10.953 -2.956 1.00 0.00 N ATOM 966 CA THR A 65 -8.305 -11.555 -1.771 1.00 0.00 C ATOM 967 C THR A 65 -7.457 -11.333 -0.517 1.00 0.00 C ATOM 968 O THR A 65 -6.317 -10.921 -0.592 1.00 0.00 O ATOM 969 CB THR A 65 -8.425 -13.050 -2.075 1.00 0.00 C ATOM 970 OG1 THR A 65 -7.256 -13.488 -2.753 1.00 0.00 O ATOM 971 CG2 THR A 65 -9.651 -13.297 -2.955 1.00 0.00 C ATOM 0 H THR A 65 -6.842 -11.487 -3.325 1.00 0.00 H new ATOM 0 HA THR A 65 -9.281 -11.105 -1.589 1.00 0.00 H new ATOM 0 HB THR A 65 -8.534 -13.604 -1.142 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.330 -14.446 -2.947 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.735 -14.362 -3.171 1.00 0.00 H new ATOM 0 HG22 THR A 65 -10.547 -12.960 -2.433 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.546 -12.745 -3.889 1.00 0.00 H new ATOM 979 N ASP A 66 -8.004 -11.603 0.637 1.00 0.00 N ATOM 980 CA ASP A 66 -7.225 -11.406 1.893 1.00 0.00 C ATOM 981 C ASP A 66 -5.801 -11.936 1.715 1.00 0.00 C ATOM 982 O ASP A 66 -4.837 -11.215 1.869 1.00 0.00 O ATOM 983 CB ASP A 66 -7.961 -12.203 2.970 1.00 0.00 C ATOM 984 CG ASP A 66 -7.509 -11.732 4.353 1.00 0.00 C ATOM 985 OD1 ASP A 66 -6.354 -11.360 4.483 1.00 0.00 O ATOM 986 OD2 ASP A 66 -8.326 -11.750 5.260 1.00 0.00 O ATOM 0 H ASP A 66 -8.954 -11.951 0.765 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.148 -10.352 2.161 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.038 -12.071 2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.758 -13.267 2.852 1.00 0.00 H new ATOM 991 N ALA A 67 -5.661 -13.192 1.391 1.00 0.00 N ATOM 992 CA ALA A 67 -4.298 -13.764 1.202 1.00 0.00 C ATOM 993 C ALA A 67 -3.467 -12.842 0.306 1.00 0.00 C ATOM 994 O ALA A 67 -2.393 -12.407 0.673 1.00 0.00 O ATOM 995 CB ALA A 67 -4.502 -15.121 0.527 1.00 0.00 C ATOM 0 H ALA A 67 -6.431 -13.846 1.249 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.767 -13.868 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.534 -15.594 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.111 -15.758 1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.006 -14.980 -0.429 1.00 0.00 H new ATOM 1001 N GLU A 68 -3.955 -12.540 -0.866 1.00 0.00 N ATOM 1002 CA GLU A 68 -3.193 -11.645 -1.780 1.00 0.00 C ATOM 1003 C GLU A 68 -2.878 -10.326 -1.074 1.00 0.00 C ATOM 1004 O GLU A 68 -1.785 -9.803 -1.167 1.00 0.00 O ATOM 1005 CB GLU A 68 -4.103 -11.402 -2.984 1.00 0.00 C ATOM 1006 CG GLU A 68 -4.144 -12.659 -3.856 1.00 0.00 C ATOM 1007 CD GLU A 68 -5.069 -12.422 -5.051 1.00 0.00 C ATOM 1008 OE1 GLU A 68 -5.109 -11.302 -5.531 1.00 0.00 O ATOM 1009 OE2 GLU A 68 -5.722 -13.366 -5.465 1.00 0.00 O ATOM 0 H GLU A 68 -4.848 -12.874 -1.229 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.244 -12.088 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.108 -11.147 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.737 -10.556 -3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.141 -12.907 -4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.498 -13.508 -3.272 1.00 0.00 H new ATOM 1016 N ALA A 69 -3.829 -9.788 -0.365 1.00 0.00 N ATOM 1017 CA ALA A 69 -3.586 -8.505 0.353 1.00 0.00 C ATOM 1018 C ALA A 69 -2.405 -8.662 1.311 1.00 0.00 C ATOM 1019 O ALA A 69 -1.634 -7.746 1.519 1.00 0.00 O ATOM 1020 CB ALA A 69 -4.870 -8.210 1.131 1.00 0.00 C ATOM 0 H ALA A 69 -4.764 -10.180 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.344 -7.694 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.755 -7.276 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.704 -8.121 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.066 -9.022 1.831 1.00 0.00 H new ATOM 1026 N LYS A 70 -2.259 -9.819 1.893 1.00 0.00 N ATOM 1027 CA LYS A 70 -1.130 -10.042 2.836 1.00 0.00 C ATOM 1028 C LYS A 70 0.202 -9.968 2.086 1.00 0.00 C ATOM 1029 O LYS A 70 1.097 -9.238 2.463 1.00 0.00 O ATOM 1030 CB LYS A 70 -1.340 -11.443 3.414 1.00 0.00 C ATOM 1031 CG LYS A 70 -2.153 -11.347 4.705 1.00 0.00 C ATOM 1032 CD LYS A 70 -1.437 -12.113 5.819 1.00 0.00 C ATOM 1033 CE LYS A 70 -1.710 -13.611 5.667 1.00 0.00 C ATOM 1034 NZ LYS A 70 -1.763 -14.155 7.053 1.00 0.00 N ATOM 0 H LYS A 70 -2.874 -10.621 1.756 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.103 -9.287 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.859 -12.072 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.377 -11.914 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.279 -10.303 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.151 -11.758 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.365 -11.922 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.783 -11.767 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.649 -13.786 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.925 -14.095 5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.947 -15.178 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.854 -13.983 7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.525 -13.684 7.582 1.00 0.00 H new ATOM 1048 N GLN A 71 0.340 -10.718 1.027 1.00 0.00 N ATOM 1049 CA GLN A 71 1.614 -10.688 0.255 1.00 0.00 C ATOM 1050 C GLN A 71 1.950 -9.252 -0.143 1.00 0.00 C ATOM 1051 O GLN A 71 3.101 -8.890 -0.275 1.00 0.00 O ATOM 1052 CB GLN A 71 1.372 -11.545 -0.988 1.00 0.00 C ATOM 1053 CG GLN A 71 2.456 -11.256 -2.031 1.00 0.00 C ATOM 1054 CD GLN A 71 1.927 -10.246 -3.053 1.00 0.00 C ATOM 1055 OE1 GLN A 71 1.047 -10.558 -3.830 1.00 0.00 O ATOM 1056 NE2 GLN A 71 2.429 -9.041 -3.083 1.00 0.00 N ATOM 0 H GLN A 71 -0.374 -11.350 0.663 1.00 0.00 H new ATOM 0 HA GLN A 71 2.451 -11.067 0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.383 -12.602 -0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.387 -11.331 -1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.348 -10.863 -1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.747 -12.179 -2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.168 -8.780 -2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.082 -8.361 -3.759 1.00 0.00 H new ATOM 1065 N LEU A 72 0.958 -8.431 -0.337 1.00 0.00 N ATOM 1066 CA LEU A 72 1.233 -7.019 -0.726 1.00 0.00 C ATOM 1067 C LEU A 72 1.847 -6.265 0.453 1.00 0.00 C ATOM 1068 O LEU A 72 2.879 -5.635 0.329 1.00 0.00 O ATOM 1069 CB LEU A 72 -0.120 -6.415 -1.104 1.00 0.00 C ATOM 1070 CG LEU A 72 -0.431 -6.733 -2.568 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -1.891 -6.389 -2.867 1.00 0.00 C ATOM 1072 CD2 LEU A 72 0.483 -5.904 -3.473 1.00 0.00 C ATOM 0 H LEU A 72 -0.028 -8.674 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 72 1.938 -6.957 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.902 -6.817 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.104 -5.336 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.263 -7.794 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.112 -6.616 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.543 -6.978 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.060 -5.328 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.263 -6.129 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.314 -4.843 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.524 -6.148 -3.261 1.00 0.00 H new ATOM 1084 N ALA A 73 1.228 -6.327 1.599 1.00 0.00 N ATOM 1085 CA ALA A 73 1.791 -5.616 2.780 1.00 0.00 C ATOM 1086 C ALA A 73 3.077 -6.311 3.226 1.00 0.00 C ATOM 1087 O ALA A 73 3.994 -5.686 3.721 1.00 0.00 O ATOM 1088 CB ALA A 73 0.726 -5.705 3.874 1.00 0.00 C ATOM 0 H ALA A 73 0.361 -6.837 1.768 1.00 0.00 H new ATOM 0 HA ALA A 73 2.035 -4.578 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.083 -5.199 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.191 -5.228 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.527 -6.752 4.103 1.00 0.00 H new ATOM 1094 N GLN A 74 3.154 -7.601 3.045 1.00 0.00 N ATOM 1095 CA GLN A 74 4.385 -8.336 3.447 1.00 0.00 C ATOM 1096 C GLN A 74 5.496 -8.065 2.434 1.00 0.00 C ATOM 1097 O GLN A 74 6.654 -7.946 2.781 1.00 0.00 O ATOM 1098 CB GLN A 74 4.009 -9.819 3.444 1.00 0.00 C ATOM 1099 CG GLN A 74 3.771 -10.287 4.881 1.00 0.00 C ATOM 1100 CD GLN A 74 3.473 -11.788 4.886 1.00 0.00 C ATOM 1101 OE1 GLN A 74 4.150 -12.551 5.545 1.00 0.00 O ATOM 1102 NE2 GLN A 74 2.481 -12.247 4.172 1.00 0.00 N ATOM 0 H GLN A 74 2.418 -8.177 2.636 1.00 0.00 H new ATOM 0 HA GLN A 74 4.747 -8.023 4.427 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.112 -9.977 2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.805 -10.406 2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.648 -10.078 5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.938 -9.738 5.320 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.912 -11.607 3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.275 -13.246 4.168 1.00 0.00 H new ATOM 1111 N TRP A 75 5.149 -7.958 1.181 1.00 0.00 N ATOM 1112 CA TRP A 75 6.181 -7.686 0.142 1.00 0.00 C ATOM 1113 C TRP A 75 6.529 -6.194 0.133 1.00 0.00 C ATOM 1114 O TRP A 75 7.671 -5.815 -0.036 1.00 0.00 O ATOM 1115 CB TRP A 75 5.551 -8.098 -1.190 1.00 0.00 C ATOM 1116 CG TRP A 75 6.344 -7.527 -2.322 1.00 0.00 C ATOM 1117 CD1 TRP A 75 7.639 -7.810 -2.588 1.00 0.00 C ATOM 1118 CD2 TRP A 75 5.913 -6.581 -3.341 1.00 0.00 C ATOM 1119 NE1 TRP A 75 8.030 -7.097 -3.707 1.00 0.00 N ATOM 1120 CE2 TRP A 75 7.001 -6.325 -4.207 1.00 0.00 C ATOM 1121 CE3 TRP A 75 4.694 -5.928 -3.594 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 6.884 -5.451 -5.288 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 4.572 -5.046 -4.680 1.00 0.00 C ATOM 1124 CH2 TRP A 75 5.666 -4.808 -5.526 1.00 0.00 C ATOM 0 H TRP A 75 4.195 -8.047 0.832 1.00 0.00 H new ATOM 0 HA TRP A 75 7.104 -8.235 0.330 1.00 0.00 H new ATOM 0 HB2 TRP A 75 5.520 -9.185 -1.267 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.521 -7.745 -1.241 1.00 0.00 H new ATOM 0 HD1 TRP A 75 8.265 -8.482 -2.020 1.00 0.00 H new ATOM 0 HE1 TRP A 75 8.965 -7.137 -4.113 1.00 0.00 H new ATOM 0 HE3 TRP A 75 3.846 -6.106 -2.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 7.729 -5.272 -5.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 3.631 -4.548 -4.865 1.00 0.00 H new ATOM 0 HH2 TRP A 75 5.567 -4.129 -6.360 1.00 0.00 H new ATOM 1135 N ILE A 76 5.554 -5.345 0.318 1.00 0.00 N ATOM 1136 CA ILE A 76 5.835 -3.882 0.322 1.00 0.00 C ATOM 1137 C ILE A 76 6.609 -3.501 1.586 1.00 0.00 C ATOM 1138 O ILE A 76 7.516 -2.691 1.550 1.00 0.00 O ATOM 1139 CB ILE A 76 4.469 -3.194 0.307 1.00 0.00 C ATOM 1140 CG1 ILE A 76 3.814 -3.394 -1.061 1.00 0.00 C ATOM 1141 CG2 ILE A 76 4.647 -1.698 0.572 1.00 0.00 C ATOM 1142 CD1 ILE A 76 2.351 -2.950 -0.997 1.00 0.00 C ATOM 0 H ILE A 76 4.578 -5.601 0.466 1.00 0.00 H new ATOM 0 HA ILE A 76 6.441 -3.584 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 76 3.836 -3.627 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.347 -2.819 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.874 -4.442 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.673 -1.208 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.115 -1.554 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.280 -1.264 -0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.885 -3.093 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.823 -3.544 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.302 -1.896 -0.722 1.00 0.00 H new ATOM 1154 N LEU A 77 6.262 -4.079 2.703 1.00 0.00 N ATOM 1155 CA LEU A 77 6.982 -3.750 3.967 1.00 0.00 C ATOM 1156 C LEU A 77 8.422 -4.263 3.899 1.00 0.00 C ATOM 1157 O LEU A 77 9.355 -3.574 4.261 1.00 0.00 O ATOM 1158 CB LEU A 77 6.215 -4.464 5.083 1.00 0.00 C ATOM 1159 CG LEU A 77 5.057 -3.583 5.551 1.00 0.00 C ATOM 1160 CD1 LEU A 77 4.067 -4.426 6.356 1.00 0.00 C ATOM 1161 CD2 LEU A 77 5.601 -2.456 6.434 1.00 0.00 C ATOM 0 H LEU A 77 5.512 -4.764 2.796 1.00 0.00 H new ATOM 0 HA LEU A 77 7.027 -2.675 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.836 -5.421 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.883 -4.679 5.917 1.00 0.00 H new ATOM 0 HG LEU A 77 4.551 -3.157 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.241 -3.798 6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.681 -5.230 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.572 -4.852 7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.777 -1.826 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.106 -2.884 7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.308 -1.855 5.862 1.00 0.00 H new ATOM 1173 N SER A 78 8.611 -5.469 3.435 1.00 0.00 N ATOM 1174 CA SER A 78 9.991 -6.024 3.343 1.00 0.00 C ATOM 1175 C SER A 78 10.847 -5.152 2.422 1.00 0.00 C ATOM 1176 O SER A 78 12.040 -5.018 2.610 1.00 0.00 O ATOM 1177 CB SER A 78 9.837 -7.427 2.753 1.00 0.00 C ATOM 1178 OG SER A 78 10.126 -7.385 1.362 1.00 0.00 O ATOM 0 H SER A 78 7.870 -6.093 3.116 1.00 0.00 H new ATOM 0 HA SER A 78 10.482 -6.050 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.510 -8.121 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.823 -7.793 2.915 1.00 0.00 H new ATOM 0 HG SER A 78 9.413 -6.903 0.894 1.00 0.00 H new ATOM 1184 N ILE A 79 10.248 -4.554 1.429 1.00 0.00 N ATOM 1185 CA ILE A 79 11.028 -3.690 0.497 1.00 0.00 C ATOM 1186 C ILE A 79 11.516 -2.437 1.230 1.00 0.00 C ATOM 1187 O ILE A 79 10.734 -1.611 1.657 1.00 0.00 O ATOM 1188 CB ILE A 79 10.061 -3.308 -0.625 1.00 0.00 C ATOM 1189 CG1 ILE A 79 9.860 -4.507 -1.553 1.00 0.00 C ATOM 1190 CG2 ILE A 79 10.642 -2.139 -1.424 1.00 0.00 C ATOM 1191 CD1 ILE A 79 8.844 -4.148 -2.639 1.00 0.00 C ATOM 0 H ILE A 79 9.252 -4.626 1.222 1.00 0.00 H new ATOM 0 HA ILE A 79 11.907 -4.203 0.108 1.00 0.00 H new ATOM 0 HB ILE A 79 9.103 -3.014 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.809 -4.791 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.510 -5.367 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.953 -1.867 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.788 -1.284 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.599 -2.433 -1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.701 -5.003 -3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.893 -3.885 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.213 -3.300 -3.216 1.00 0.00 H new ATOM 1203 N LYS A 80 12.804 -2.291 1.379 1.00 0.00 N ATOM 1204 CA LYS A 80 13.342 -1.091 2.084 1.00 0.00 C ATOM 1205 C LYS A 80 13.911 -0.096 1.069 1.00 0.00 C ATOM 1206 O LYS A 80 13.647 -0.266 -0.109 1.00 0.00 O ATOM 1207 CB LYS A 80 14.450 -1.608 3.002 1.00 0.00 C ATOM 1208 CG LYS A 80 13.865 -1.928 4.379 1.00 0.00 C ATOM 1209 CD LYS A 80 14.612 -3.116 4.988 1.00 0.00 C ATOM 1210 CE LYS A 80 14.363 -3.157 6.497 1.00 0.00 C ATOM 1211 NZ LYS A 80 15.707 -3.280 7.127 1.00 0.00 N ATOM 1212 OXT LYS A 80 14.602 0.817 1.489 1.00 0.00 O ATOM 0 H LYS A 80 13.507 -2.949 1.044 1.00 0.00 H new ATOM 0 HA LYS A 80 12.567 -0.572 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.906 -2.500 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.238 -0.861 3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.948 -1.059 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.804 -2.159 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.276 -4.045 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.680 -3.029 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.854 -2.254 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.727 -4.000 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.604 -3.313 8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.167 -4.153 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.290 -2.460 6.863 1.00 0.00 H new TER 1226 LYS A 80 HETATM 1227 FE HEC A 81 -2.269 1.890 -4.356 1.00 0.00 FE HETATM 1228 CHA HEC A 81 -2.157 3.313 -1.303 1.00 0.00 C HETATM 1229 CHB HEC A 81 -1.902 -1.167 -2.964 1.00 0.00 C HETATM 1230 CHC HEC A 81 -2.479 0.473 -7.423 1.00 0.00 C HETATM 1231 CHD HEC A 81 -2.330 4.966 -5.792 1.00 0.00 C HETATM 1232 NA HEC A 81 -2.062 1.221 -2.538 1.00 0.00 N HETATM 1233 C1A HEC A 81 -2.058 1.949 -1.367 1.00 0.00 C HETATM 1234 C2A HEC A 81 -1.890 1.099 -0.217 1.00 0.00 C HETATM 1235 C3A HEC A 81 -1.790 -0.173 -0.690 1.00 0.00 C HETATM 1236 C4A HEC A 81 -1.904 -0.085 -2.123 1.00 0.00 C HETATM 1237 CMA HEC A 81 -1.602 -1.303 0.047 1.00 0.00 C HETATM 1238 CAA HEC A 81 -1.827 1.495 1.085 1.00 0.00 C HETATM 1239 CBA HEC A 81 -2.925 0.798 1.888 1.00 0.00 C HETATM 1240 CGA HEC A 81 -3.093 1.497 3.238 1.00 0.00 C HETATM 1241 O1A HEC A 81 -3.997 2.308 3.354 1.00 0.00 O HETATM 1242 O2A HEC A 81 -2.315 1.210 4.132 1.00 0.00 O HETATM 1243 NB HEC A 81 -2.248 0.055 -5.037 1.00 0.00 N HETATM 1244 C1B HEC A 81 -2.061 -1.110 -4.323 1.00 0.00 C HETATM 1245 C2B HEC A 81 -2.041 -2.262 -5.187 1.00 0.00 C HETATM 1246 C3B HEC A 81 -2.212 -1.797 -6.456 1.00 0.00 C HETATM 1247 C4B HEC A 81 -2.341 -0.367 -6.348 1.00 0.00 C HETATM 1248 CMB HEC A 81 -1.884 -3.560 -4.804 1.00 0.00 C HETATM 1249 CAB HEC A 81 -2.222 -2.516 -7.593 1.00 0.00 C HETATM 1250 CBB HEC A 81 -3.380 -3.523 -7.529 1.00 0.00 C HETATM 1251 NC HEC A 81 -2.444 2.571 -6.195 1.00 0.00 N HETATM 1252 C1C HEC A 81 -2.525 1.840 -7.360 1.00 0.00 C HETATM 1253 C2C HEC A 81 -2.564 2.691 -8.521 1.00 0.00 C HETATM 1254 C3C HEC A 81 -2.485 3.973 -8.065 1.00 0.00 C HETATM 1255 C4C HEC A 81 -2.411 3.883 -6.628 1.00 0.00 C HETATM 1256 CMC HEC A 81 -2.691 2.282 -9.815 1.00 0.00 C HETATM 1257 CAC HEC A 81 -2.450 5.104 -8.795 1.00 0.00 C HETATM 1258 CBC HEC A 81 -3.729 5.184 -9.642 1.00 0.00 C HETATM 1259 ND HEC A 81 -2.263 3.729 -3.693 1.00 0.00 N HETATM 1260 C1D HEC A 81 -2.268 4.902 -4.423 1.00 0.00 C HETATM 1261 C2D HEC A 81 -2.259 6.058 -3.565 1.00 0.00 C HETATM 1262 C3D HEC A 81 -2.256 5.589 -2.288 1.00 0.00 C HETATM 1263 C4D HEC A 81 -2.247 4.153 -2.382 1.00 0.00 C HETATM 1264 CMD HEC A 81 -2.257 7.364 -3.954 1.00 0.00 C HETATM 1265 CAD HEC A 81 -2.293 6.333 -1.147 1.00 0.00 C HETATM 1266 CBD HEC A 81 -3.714 6.852 -0.917 1.00 0.00 C HETATM 1267 CGD HEC A 81 -3.751 7.690 0.361 1.00 0.00 C HETATM 1268 O1D HEC A 81 -3.937 7.113 1.420 1.00 0.00 O HETATM 1269 O2D HEC A 81 -3.592 8.896 0.260 1.00 0.00 O HETATM 0 HMD3 HEC A 81 -1.370 7.563 -4.556 1.00 0.00 H new HETATM 0 HMD2 HEC A 81 -3.150 7.569 -4.545 1.00 0.00 H new HETATM 0 HMD1 HEC A 81 -2.250 8.006 -3.073 1.00 0.00 H new HETATM 0 HMC3 HEC A 81 -1.857 1.629 -10.074 1.00 0.00 H new HETATM 0 HMC2 HEC A 81 -3.628 1.738 -9.934 1.00 0.00 H new HETATM 0 HMC1 HEC A 81 -2.689 3.151 -10.473 1.00 0.00 H new HETATM 0 HMB3 HEC A 81 -0.925 -3.677 -4.299 1.00 0.00 H new HETATM 0 HMB2 HEC A 81 -2.689 -3.839 -4.124 1.00 0.00 H new HETATM 0 HMB1 HEC A 81 -1.912 -4.205 -5.683 1.00 0.00 H new HETATM 0 HMA3 HEC A 81 -0.665 -1.226 0.598 1.00 0.00 H new HETATM 0 HMA2 HEC A 81 -2.427 -1.421 0.749 1.00 0.00 H new HETATM 0 HMA1 HEC A 81 -1.563 -2.167 -0.616 1.00 0.00 H new HETATM 0 HBD2 HEC A 81 -4.035 7.453 -1.768 1.00 0.00 H new HETATM 0 HBD1 HEC A 81 -4.409 6.016 -0.837 1.00 0.00 H new HETATM 0 HBC3 HEC A 81 -3.782 4.319 -10.303 1.00 0.00 H new HETATM 0 HBC2 HEC A 81 -4.600 5.194 -8.986 1.00 0.00 H new HETATM 0 HBC1 HEC A 81 -3.714 6.096 -10.239 1.00 0.00 H new HETATM 0 HBB3 HEC A 81 -3.240 -4.185 -6.674 1.00 0.00 H new HETATM 0 HBB2 HEC A 81 -4.323 -2.987 -7.422 1.00 0.00 H new HETATM 0 HBB1 HEC A 81 -3.400 -4.113 -8.445 1.00 0.00 H new HETATM 0 HBA2 HEC A 81 -3.864 0.821 1.335 1.00 0.00 H new HETATM 0 HBA1 HEC A 81 -2.670 -0.251 2.039 1.00 0.00 H new HETATM 0 HAD2 HEC A 81 -1.974 5.730 -0.297 1.00 0.00 H new HETATM 0 HAD1 HEC A 81 -1.598 7.169 -1.224 1.00 0.00 H new HETATM 0 HAA2 HEC A 81 -0.849 1.254 1.502 1.00 0.00 H new HETATM 0 HAA1 HEC A 81 -1.944 2.577 1.153 1.00 0.00 H new HETATM 0 HHD HEC A 81 -2.314 5.955 -6.250 1.00 0.00 H new HETATM 0 HHC HEC A 81 -2.559 0.015 -8.409 1.00 0.00 H new HETATM 0 HHB HEC A 81 -1.763 -2.151 -2.516 1.00 0.00 H new HETATM 0 HHA HEC A 81 -2.165 3.768 -0.313 1.00 0.00 H new