USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0357 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.2) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0268 (180deg=-0.204) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0304) USER MOD Single : A 17 SER OG : rot 180:sc= 0.133 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -84:sc= 0.00448 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -106:sc= 0.601 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 38 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.23) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= -0.145 (180deg=-0.188) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -75:sc= 0.721 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 76:sc= -1.1 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= 1.1 (180deg=0.758) USER MOD Single : A 85 HIS : no HD1:sc= -0.94 K(o=-0.94,f=-0.28) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00856 K(o=-0.0086,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.480 13.468 -0.550 1.00 0.00 N ATOM 2 CA MET A 1 -1.645 14.215 -1.051 1.00 0.00 C ATOM 3 C MET A 1 -2.268 13.403 -2.176 1.00 0.00 C ATOM 4 O MET A 1 -1.533 12.950 -3.050 1.00 0.00 O ATOM 5 CB MET A 1 -1.240 15.613 -1.543 1.00 0.00 C ATOM 6 CG MET A 1 -2.447 16.382 -2.095 1.00 0.00 C ATOM 7 SD MET A 1 -2.040 17.785 -3.150 1.00 0.00 S ATOM 8 CE MET A 1 -3.516 17.775 -4.203 1.00 0.00 C ATOM 0 H1 MET A 1 0.290 14.132 -0.332 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.745 12.949 0.312 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.161 12.795 -1.276 1.00 0.00 H new ATOM 0 HA MET A 1 -2.366 14.362 -0.247 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.793 16.174 -0.722 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.479 15.522 -2.318 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.071 15.690 -2.661 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.045 16.739 -1.257 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.449 18.583 -4.931 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.584 16.821 -4.725 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.404 17.915 -3.586 1.00 0.00 H new ATOM 18 N GLU A 2 -3.595 13.194 -2.146 1.00 0.00 N ATOM 19 CA GLU A 2 -4.268 12.137 -2.917 1.00 0.00 C ATOM 20 C GLU A 2 -3.672 10.773 -2.532 1.00 0.00 C ATOM 21 O GLU A 2 -2.760 10.694 -1.705 1.00 0.00 O ATOM 22 CB GLU A 2 -4.165 12.436 -4.434 1.00 0.00 C ATOM 23 CG GLU A 2 -5.486 12.282 -5.197 1.00 0.00 C ATOM 24 CD GLU A 2 -6.344 13.549 -5.112 1.00 0.00 C ATOM 25 OE1 GLU A 2 -6.196 14.451 -5.970 1.00 0.00 O ATOM 26 OE2 GLU A 2 -7.195 13.668 -4.195 1.00 0.00 O ATOM 0 H GLU A 2 -4.233 13.757 -1.583 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.331 12.109 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.798 13.453 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.424 11.769 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.277 12.054 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.044 11.438 -4.792 1.00 0.00 H new ATOM 33 N VAL A 3 -4.166 9.681 -3.103 1.00 0.00 N ATOM 34 CA VAL A 3 -3.414 8.433 -3.121 1.00 0.00 C ATOM 35 C VAL A 3 -2.516 8.506 -4.345 1.00 0.00 C ATOM 36 O VAL A 3 -3.021 8.603 -5.468 1.00 0.00 O ATOM 37 CB VAL A 3 -4.366 7.233 -3.161 1.00 0.00 C ATOM 38 CG1 VAL A 3 -3.619 5.907 -3.374 1.00 0.00 C ATOM 39 CG2 VAL A 3 -5.121 7.145 -1.837 1.00 0.00 C ATOM 0 H VAL A 3 -5.078 9.634 -3.557 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.814 8.300 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.046 7.385 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.335 5.085 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.078 5.942 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.913 5.752 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.800 6.292 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.410 7.020 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.693 8.060 -1.683 1.00 0.00 H new ATOM 49 N LYS A 4 -1.200 8.483 -4.141 1.00 0.00 N ATOM 50 CA LYS A 4 -0.274 8.260 -5.239 1.00 0.00 C ATOM 51 C LYS A 4 -0.057 6.761 -5.377 1.00 0.00 C ATOM 52 O LYS A 4 0.124 6.096 -4.360 1.00 0.00 O ATOM 53 CB LYS A 4 1.058 8.970 -4.975 1.00 0.00 C ATOM 54 CG LYS A 4 1.947 8.829 -6.221 1.00 0.00 C ATOM 55 CD LYS A 4 2.695 10.093 -6.618 1.00 0.00 C ATOM 56 CE LYS A 4 3.820 10.454 -5.649 1.00 0.00 C ATOM 57 NZ LYS A 4 4.930 11.120 -6.355 1.00 0.00 N ATOM 0 H LYS A 4 -0.758 8.615 -3.231 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.687 8.667 -6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.887 10.023 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.553 8.535 -4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.672 8.035 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.326 8.513 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.112 9.963 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.990 10.923 -6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.436 11.109 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.185 9.552 -5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.547 11.592 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.480 10.413 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.547 11.825 -7.016 1.00 0.00 H new ATOM 71 N ILE A 5 0.002 6.272 -6.613 1.00 0.00 N ATOM 72 CA ILE A 5 0.554 4.980 -6.997 1.00 0.00 C ATOM 73 C ILE A 5 1.452 5.299 -8.192 1.00 0.00 C ATOM 74 O ILE A 5 1.030 6.062 -9.067 1.00 0.00 O ATOM 75 CB ILE A 5 -0.557 3.968 -7.382 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.665 3.873 -6.310 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.060 2.579 -7.637 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.863 3.010 -6.717 1.00 0.00 C ATOM 0 H ILE A 5 -0.353 6.795 -7.414 1.00 0.00 H new ATOM 0 HA ILE A 5 1.096 4.506 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.026 4.333 -8.295 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.235 3.468 -5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.018 4.878 -6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.727 1.875 -7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.782 2.645 -8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.563 2.233 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.594 2.997 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.322 3.425 -7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.527 1.993 -6.919 1.00 0.00 H new ATOM 90 N GLU A 6 2.667 4.754 -8.225 1.00 0.00 N ATOM 91 CA GLU A 6 3.551 4.711 -9.382 1.00 0.00 C ATOM 92 C GLU A 6 4.617 3.632 -9.162 1.00 0.00 C ATOM 93 O GLU A 6 4.657 3.002 -8.102 1.00 0.00 O ATOM 94 CB GLU A 6 4.157 6.091 -9.694 1.00 0.00 C ATOM 95 CG GLU A 6 4.717 6.905 -8.513 1.00 0.00 C ATOM 96 CD GLU A 6 5.049 8.369 -8.864 1.00 0.00 C ATOM 97 OE1 GLU A 6 4.632 8.899 -9.925 1.00 0.00 O ATOM 98 OE2 GLU A 6 5.677 9.061 -8.030 1.00 0.00 O ATOM 0 H GLU A 6 3.079 4.310 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 6 2.971 4.444 -10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.961 5.950 -10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.391 6.692 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.992 6.892 -7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.619 6.417 -8.143 1.00 0.00 H new ATOM 105 N LYS A 7 5.479 3.418 -10.166 1.00 0.00 N ATOM 106 CA LYS A 7 6.563 2.443 -10.138 1.00 0.00 C ATOM 107 C LYS A 7 7.919 3.155 -10.030 1.00 0.00 C ATOM 108 O LYS A 7 8.522 3.443 -11.065 1.00 0.00 O ATOM 109 CB LYS A 7 6.531 1.485 -11.340 1.00 0.00 C ATOM 110 CG LYS A 7 5.329 0.531 -11.366 1.00 0.00 C ATOM 111 CD LYS A 7 4.084 1.111 -12.049 1.00 0.00 C ATOM 112 CE LYS A 7 3.115 0.009 -12.506 1.00 0.00 C ATOM 113 NZ LYS A 7 3.641 -0.838 -13.606 1.00 0.00 N ATOM 0 H LYS A 7 5.434 3.937 -11.043 1.00 0.00 H new ATOM 0 HA LYS A 7 6.419 1.825 -9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.530 2.074 -12.257 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.447 0.894 -11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.618 -0.386 -11.879 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.074 0.257 -10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.571 1.782 -11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.387 1.708 -12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.876 -0.627 -11.654 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.183 0.471 -12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.861 -1.380 -14.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.077 -0.234 -14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.354 -1.495 -13.228 1.00 0.00 H new ATOM 127 N PRO A 8 8.402 3.493 -8.824 1.00 0.00 N ATOM 128 CA PRO A 8 9.691 4.163 -8.645 1.00 0.00 C ATOM 129 C PRO A 8 10.880 3.292 -9.091 1.00 0.00 C ATOM 130 O PRO A 8 10.715 2.105 -9.406 1.00 0.00 O ATOM 131 CB PRO A 8 9.746 4.518 -7.157 1.00 0.00 C ATOM 132 CG PRO A 8 8.842 3.478 -6.498 1.00 0.00 C ATOM 133 CD PRO A 8 7.794 3.164 -7.547 1.00 0.00 C ATOM 0 HA PRO A 8 9.772 5.050 -9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.764 4.465 -6.771 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.388 5.531 -6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.402 2.586 -6.218 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.387 3.868 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.506 2.113 -7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.889 3.748 -7.383 1.00 0.00 H new ATOM 141 N THR A 9 12.087 3.867 -9.135 1.00 0.00 N ATOM 142 CA THR A 9 13.314 3.118 -9.400 1.00 0.00 C ATOM 143 C THR A 9 13.677 2.275 -8.169 1.00 0.00 C ATOM 144 O THR A 9 13.477 2.716 -7.034 1.00 0.00 O ATOM 145 CB THR A 9 14.475 4.061 -9.776 1.00 0.00 C ATOM 146 OG1 THR A 9 14.879 4.855 -8.683 1.00 0.00 O ATOM 147 CG2 THR A 9 14.131 5.011 -10.925 1.00 0.00 C ATOM 0 H THR A 9 12.238 4.865 -8.987 1.00 0.00 H new ATOM 0 HA THR A 9 13.142 2.457 -10.250 1.00 0.00 H new ATOM 0 HB THR A 9 15.279 3.395 -10.088 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.617 5.438 -8.958 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.989 5.647 -11.140 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.877 4.432 -11.813 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.281 5.632 -10.642 1.00 0.00 H new ATOM 155 N PRO A 10 14.273 1.089 -8.354 1.00 0.00 N ATOM 156 CA PRO A 10 14.617 0.229 -7.235 1.00 0.00 C ATOM 157 C PRO A 10 15.768 0.793 -6.407 1.00 0.00 C ATOM 158 O PRO A 10 15.834 0.500 -5.216 1.00 0.00 O ATOM 159 CB PRO A 10 14.935 -1.128 -7.859 1.00 0.00 C ATOM 160 CG PRO A 10 15.431 -0.768 -9.255 1.00 0.00 C ATOM 161 CD PRO A 10 14.597 0.453 -9.617 1.00 0.00 C ATOM 0 HA PRO A 10 13.800 0.147 -6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.694 -1.664 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.054 -1.768 -7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.497 -0.542 -9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.276 -1.585 -9.960 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.153 1.130 -10.266 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.694 0.166 -10.155 1.00 0.00 H new ATOM 169 N GLU A 11 16.633 1.624 -6.996 1.00 0.00 N ATOM 170 CA GLU A 11 17.672 2.335 -6.265 1.00 0.00 C ATOM 171 C GLU A 11 17.049 3.311 -5.271 1.00 0.00 C ATOM 172 O GLU A 11 17.437 3.318 -4.105 1.00 0.00 O ATOM 173 CB GLU A 11 18.602 3.074 -7.234 1.00 0.00 C ATOM 174 CG GLU A 11 19.526 2.094 -7.976 1.00 0.00 C ATOM 175 CD GLU A 11 20.900 2.698 -8.272 1.00 0.00 C ATOM 176 OE1 GLU A 11 21.580 3.166 -7.327 1.00 0.00 O ATOM 177 OE2 GLU A 11 21.350 2.633 -9.437 1.00 0.00 O ATOM 0 H GLU A 11 16.628 1.819 -7.997 1.00 0.00 H new ATOM 0 HA GLU A 11 18.264 1.607 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.008 3.635 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.203 3.798 -6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.650 1.192 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.055 1.793 -8.912 1.00 0.00 H new ATOM 184 N LYS A 12 16.031 4.086 -5.676 1.00 0.00 N ATOM 185 CA LYS A 12 15.374 5.003 -4.747 1.00 0.00 C ATOM 186 C LYS A 12 14.823 4.242 -3.542 1.00 0.00 C ATOM 187 O LYS A 12 14.842 4.751 -2.424 1.00 0.00 O ATOM 188 CB LYS A 12 14.266 5.800 -5.468 1.00 0.00 C ATOM 189 CG LYS A 12 13.777 6.993 -4.630 1.00 0.00 C ATOM 190 CD LYS A 12 14.796 8.146 -4.641 1.00 0.00 C ATOM 191 CE LYS A 12 14.572 9.132 -3.490 1.00 0.00 C ATOM 192 NZ LYS A 12 14.210 10.480 -3.965 1.00 0.00 N ATOM 0 H LYS A 12 15.654 4.094 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 12 16.111 5.717 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.643 6.160 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.426 5.140 -5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.822 7.346 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.602 6.671 -3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.804 7.737 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.729 8.678 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.782 8.755 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.478 9.194 -2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.069 11.109 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.974 10.854 -4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.331 10.429 -4.518 1.00 0.00 H new ATOM 206 N LEU A 13 14.368 3.008 -3.746 1.00 0.00 N ATOM 207 CA LEU A 13 13.813 2.176 -2.686 1.00 0.00 C ATOM 208 C LEU A 13 14.890 1.623 -1.750 1.00 0.00 C ATOM 209 O LEU A 13 14.552 1.170 -0.652 1.00 0.00 O ATOM 210 CB LEU A 13 12.980 1.047 -3.308 1.00 0.00 C ATOM 211 CG LEU A 13 11.520 1.431 -3.617 1.00 0.00 C ATOM 212 CD1 LEU A 13 10.665 1.574 -2.364 1.00 0.00 C ATOM 213 CD2 LEU A 13 11.349 2.738 -4.392 1.00 0.00 C ATOM 0 H LEU A 13 14.375 2.555 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 13 13.169 2.801 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.461 0.723 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.983 0.193 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 13 11.192 0.595 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.648 1.845 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.651 0.628 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.084 2.351 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.289 2.924 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.774 3.560 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.862 2.662 -5.351 1.00 0.00 H new ATOM 225 N LYS A 14 16.174 1.665 -2.119 1.00 0.00 N ATOM 226 CA LYS A 14 17.254 1.465 -1.160 1.00 0.00 C ATOM 227 C LYS A 14 17.439 2.739 -0.347 1.00 0.00 C ATOM 228 O LYS A 14 17.629 2.650 0.868 1.00 0.00 O ATOM 229 CB LYS A 14 18.563 1.038 -1.849 1.00 0.00 C ATOM 230 CG LYS A 14 18.635 -0.489 -1.991 1.00 0.00 C ATOM 231 CD LYS A 14 17.640 -1.035 -3.020 1.00 0.00 C ATOM 232 CE LYS A 14 17.674 -2.558 -3.159 1.00 0.00 C ATOM 233 NZ LYS A 14 17.219 -3.230 -1.925 1.00 0.00 N ATOM 0 H LYS A 14 16.486 1.836 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 14 16.983 0.649 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.629 1.502 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.416 1.394 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.646 -0.775 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.439 -0.949 -1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.633 -0.727 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.851 -0.585 -3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.041 -2.861 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.688 -2.879 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.143 -4.253 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.904 -3.056 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.290 -2.855 -1.648 1.00 0.00 H new ATOM 247 N GLU A 15 17.341 3.911 -0.978 1.00 0.00 N ATOM 248 CA GLU A 15 17.577 5.187 -0.291 1.00 0.00 C ATOM 249 C GLU A 15 16.460 5.528 0.699 1.00 0.00 C ATOM 250 O GLU A 15 16.643 6.344 1.602 1.00 0.00 O ATOM 251 CB GLU A 15 17.701 6.371 -1.259 1.00 0.00 C ATOM 252 CG GLU A 15 18.673 6.176 -2.422 1.00 0.00 C ATOM 253 CD GLU A 15 19.131 7.491 -3.062 1.00 0.00 C ATOM 254 OE1 GLU A 15 18.488 8.555 -2.875 1.00 0.00 O ATOM 255 OE2 GLU A 15 20.169 7.474 -3.767 1.00 0.00 O ATOM 0 H GLU A 15 17.100 4.005 -1.965 1.00 0.00 H new ATOM 0 HA GLU A 15 18.520 5.041 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.714 6.588 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.012 7.249 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.547 5.630 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.198 5.557 -3.183 1.00 0.00 H new ATOM 262 N LEU A 16 15.284 4.929 0.520 1.00 0.00 N ATOM 263 CA LEU A 16 14.140 5.072 1.413 1.00 0.00 C ATOM 264 C LEU A 16 14.264 4.211 2.669 1.00 0.00 C ATOM 265 O LEU A 16 13.330 4.220 3.451 1.00 0.00 O ATOM 266 CB LEU A 16 12.845 4.750 0.642 1.00 0.00 C ATOM 267 CG LEU A 16 12.019 5.980 0.259 1.00 0.00 C ATOM 268 CD1 LEU A 16 12.832 7.024 -0.506 1.00 0.00 C ATOM 269 CD2 LEU A 16 10.836 5.535 -0.610 1.00 0.00 C ATOM 0 H LEU A 16 15.098 4.314 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 16 14.110 6.106 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.102 4.203 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.229 4.088 1.250 1.00 0.00 H new ATOM 0 HG LEU A 16 11.679 6.445 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.195 7.874 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.664 7.361 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.218 6.583 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.241 6.405 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.209 5.048 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.216 4.836 -0.050 1.00 0.00 H new ATOM 281 N SER A 17 15.359 3.468 2.867 1.00 0.00 N ATOM 282 CA SER A 17 15.574 2.569 4.003 1.00 0.00 C ATOM 283 C SER A 17 14.507 1.476 4.151 1.00 0.00 C ATOM 284 O SER A 17 14.370 0.922 5.237 1.00 0.00 O ATOM 285 CB SER A 17 15.826 3.359 5.310 1.00 0.00 C ATOM 286 OG SER A 17 14.661 3.932 5.879 1.00 0.00 O ATOM 0 H SER A 17 16.146 3.478 2.218 1.00 0.00 H new ATOM 0 HA SER A 17 16.486 2.016 3.781 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.283 2.692 6.041 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.546 4.152 5.108 1.00 0.00 H new ATOM 0 HG SER A 17 14.900 4.412 6.700 1.00 0.00 H new ATOM 292 N VAL A 18 13.764 1.127 3.092 1.00 0.00 N ATOM 293 CA VAL A 18 12.514 0.377 3.216 1.00 0.00 C ATOM 294 C VAL A 18 12.721 -0.957 3.924 1.00 0.00 C ATOM 295 O VAL A 18 11.901 -1.318 4.755 1.00 0.00 O ATOM 296 CB VAL A 18 11.824 0.207 1.851 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.447 -0.438 1.969 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.634 1.561 1.169 1.00 0.00 C ATOM 0 H VAL A 18 14.014 1.357 2.130 1.00 0.00 H new ATOM 0 HA VAL A 18 11.843 0.963 3.844 1.00 0.00 H new ATOM 0 HB VAL A 18 12.477 -0.441 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.004 -0.535 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.545 -1.425 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.806 0.184 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.145 1.418 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.016 2.202 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.606 2.031 1.016 1.00 0.00 H new ATOM 308 N GLU A 19 13.837 -1.650 3.685 1.00 0.00 N ATOM 309 CA GLU A 19 14.189 -2.894 4.371 1.00 0.00 C ATOM 310 C GLU A 19 14.163 -2.772 5.905 1.00 0.00 C ATOM 311 O GLU A 19 14.011 -3.781 6.593 1.00 0.00 O ATOM 312 CB GLU A 19 15.591 -3.353 3.927 1.00 0.00 C ATOM 313 CG GLU A 19 16.642 -2.235 4.063 1.00 0.00 C ATOM 314 CD GLU A 19 18.064 -2.772 4.163 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.619 -3.187 3.122 1.00 0.00 O ATOM 316 OE2 GLU A 19 18.644 -2.708 5.271 1.00 0.00 O ATOM 0 H GLU A 19 14.532 -1.357 2.998 1.00 0.00 H new ATOM 0 HA GLU A 19 13.432 -3.627 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.897 -4.211 4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.550 -3.686 2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.570 -1.568 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.420 -1.639 4.949 1.00 0.00 H new ATOM 323 N LYS A 20 14.336 -1.566 6.453 1.00 0.00 N ATOM 324 CA LYS A 20 14.394 -1.313 7.883 1.00 0.00 C ATOM 325 C LYS A 20 12.999 -1.063 8.456 1.00 0.00 C ATOM 326 O LYS A 20 12.816 -1.316 9.649 1.00 0.00 O ATOM 327 CB LYS A 20 15.313 -0.111 8.193 1.00 0.00 C ATOM 328 CG LYS A 20 16.696 -0.198 7.521 1.00 0.00 C ATOM 329 CD LYS A 20 17.711 0.782 8.124 1.00 0.00 C ATOM 330 CE LYS A 20 19.062 0.767 7.383 1.00 0.00 C ATOM 331 NZ LYS A 20 19.958 -0.336 7.793 1.00 0.00 N ATOM 0 H LYS A 20 14.442 -0.720 5.893 1.00 0.00 H new ATOM 0 HA LYS A 20 14.808 -2.203 8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.819 0.805 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.447 -0.037 9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.078 -1.214 7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.591 0.005 6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.297 1.790 8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.873 0.532 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.877 0.692 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.569 1.717 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.845 -0.281 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.165 -0.255 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.494 -1.248 7.606 1.00 0.00 H new ATOM 345 N TRP A 21 12.044 -0.600 7.638 1.00 0.00 N ATOM 346 CA TRP A 21 10.683 -0.213 8.028 1.00 0.00 C ATOM 347 C TRP A 21 9.934 -1.422 8.623 1.00 0.00 C ATOM 348 O TRP A 21 10.371 -2.555 8.397 1.00 0.00 O ATOM 349 CB TRP A 21 9.931 0.302 6.788 1.00 0.00 C ATOM 350 CG TRP A 21 10.432 1.547 6.116 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.568 2.215 6.419 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.833 2.273 4.992 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.699 3.297 5.585 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.653 3.399 4.693 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.693 2.089 4.175 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.352 4.294 3.653 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.388 2.972 3.117 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.218 4.081 2.854 1.00 0.00 C ATOM 0 H TRP A 21 12.208 -0.480 6.639 1.00 0.00 H new ATOM 0 HA TRP A 21 10.735 0.572 8.782 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.927 -0.497 6.047 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.894 0.475 7.076 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.265 1.940 7.197 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.481 3.951 5.621 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.039 1.251 4.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 10.992 5.144 3.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.515 2.797 2.506 1.00 0.00 H new ATOM 0 HH2 TRP A 21 8.984 4.759 2.047 1.00 0.00 H new ATOM 369 N PRO A 22 8.799 -1.269 9.324 1.00 0.00 N ATOM 370 CA PRO A 22 8.025 -2.425 9.766 1.00 0.00 C ATOM 371 C PRO A 22 7.412 -3.175 8.568 1.00 0.00 C ATOM 372 O PRO A 22 6.944 -2.578 7.594 1.00 0.00 O ATOM 373 CB PRO A 22 6.979 -1.865 10.733 1.00 0.00 C ATOM 374 CG PRO A 22 6.789 -0.423 10.260 1.00 0.00 C ATOM 375 CD PRO A 22 8.191 -0.032 9.798 1.00 0.00 C ATOM 0 HA PRO A 22 8.640 -3.173 10.266 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.047 -2.429 10.686 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.325 -1.906 11.766 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.063 -0.355 9.450 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.433 0.223 11.063 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.150 0.715 9.005 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.768 0.402 10.615 1.00 0.00 H new ATOM 383 N ILE A 23 7.410 -4.509 8.636 1.00 0.00 N ATOM 384 CA ILE A 23 6.674 -5.371 7.710 1.00 0.00 C ATOM 385 C ILE A 23 5.243 -5.502 8.249 1.00 0.00 C ATOM 386 O ILE A 23 5.018 -5.390 9.456 1.00 0.00 O ATOM 387 CB ILE A 23 7.402 -6.737 7.596 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.711 -6.587 6.787 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.542 -7.836 6.944 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.700 -7.732 7.031 1.00 0.00 C ATOM 0 H ILE A 23 7.927 -5.027 9.346 1.00 0.00 H new ATOM 0 HA ILE A 23 6.630 -4.955 6.704 1.00 0.00 H new ATOM 0 HB ILE A 23 7.614 -7.046 8.620 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.472 -6.541 5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.187 -5.642 7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.112 -8.764 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.642 -7.994 7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.263 -7.529 5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.598 -7.570 6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.966 -7.764 8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.240 -8.678 6.744 1.00 0.00 H new ATOM 402 N TRP A 24 4.278 -5.796 7.378 1.00 0.00 N ATOM 403 CA TRP A 24 2.954 -6.272 7.755 1.00 0.00 C ATOM 404 C TRP A 24 2.540 -7.325 6.727 1.00 0.00 C ATOM 405 O TRP A 24 2.712 -7.116 5.520 1.00 0.00 O ATOM 406 CB TRP A 24 1.995 -5.074 7.814 1.00 0.00 C ATOM 407 CG TRP A 24 0.526 -5.337 7.981 1.00 0.00 C ATOM 408 CD1 TRP A 24 -0.165 -5.250 9.141 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.469 -5.638 6.956 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.513 -5.444 8.901 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.763 -5.614 7.555 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.410 -5.919 5.575 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.935 -5.775 6.800 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.576 -6.113 4.816 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.837 -6.029 5.422 1.00 0.00 C ATOM 0 H TRP A 24 4.401 -5.707 6.369 1.00 0.00 H new ATOM 0 HA TRP A 24 2.939 -6.734 8.742 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.313 -4.436 8.638 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.126 -4.499 6.897 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.271 -5.058 10.110 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.230 -5.459 9.626 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.553 -5.986 5.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.903 -5.704 7.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.500 -6.328 3.760 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.731 -6.159 4.831 1.00 0.00 H new ATOM 426 N GLU A 25 2.017 -8.459 7.198 1.00 0.00 N ATOM 427 CA GLU A 25 1.598 -9.604 6.426 1.00 0.00 C ATOM 428 C GLU A 25 0.277 -10.086 7.030 1.00 0.00 C ATOM 429 O GLU A 25 0.181 -10.238 8.254 1.00 0.00 O ATOM 430 CB GLU A 25 2.644 -10.722 6.551 1.00 0.00 C ATOM 431 CG GLU A 25 4.085 -10.309 6.899 1.00 0.00 C ATOM 432 CD GLU A 25 5.090 -11.452 6.759 1.00 0.00 C ATOM 433 OE1 GLU A 25 4.674 -12.636 6.718 1.00 0.00 O ATOM 434 OE2 GLU A 25 6.302 -11.150 6.642 1.00 0.00 O ATOM 0 H GLU A 25 1.870 -8.599 8.198 1.00 0.00 H new ATOM 0 HA GLU A 25 1.485 -9.344 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.300 -11.421 7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.669 -11.267 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.387 -9.487 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.111 -9.934 7.922 1.00 0.00 H new ATOM 441 N LYS A 26 -0.741 -10.356 6.216 1.00 0.00 N ATOM 442 CA LYS A 26 -2.103 -10.633 6.681 1.00 0.00 C ATOM 443 C LYS A 26 -2.670 -11.857 5.950 1.00 0.00 C ATOM 444 O LYS A 26 -2.037 -12.348 5.006 1.00 0.00 O ATOM 445 CB LYS A 26 -2.900 -9.335 6.459 1.00 0.00 C ATOM 446 CG LYS A 26 -3.968 -9.063 7.528 1.00 0.00 C ATOM 447 CD LYS A 26 -5.355 -9.337 6.963 1.00 0.00 C ATOM 448 CE LYS A 26 -6.449 -9.035 7.980 1.00 0.00 C ATOM 449 NZ LYS A 26 -7.701 -9.735 7.633 1.00 0.00 N ATOM 0 H LYS A 26 -0.644 -10.390 5.201 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.150 -10.897 7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.206 -8.495 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.382 -9.380 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.791 -9.694 8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.902 -8.028 7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.511 -8.731 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.423 -10.380 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.121 -9.340 8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.628 -7.960 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.430 -9.513 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.024 -9.425 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.533 -10.761 7.619 1.00 0.00 H new ATOM 463 N GLU A 27 -3.814 -12.385 6.391 1.00 0.00 N ATOM 464 CA GLU A 27 -4.531 -13.448 5.685 1.00 0.00 C ATOM 465 C GLU A 27 -5.204 -12.910 4.418 1.00 0.00 C ATOM 466 O GLU A 27 -5.222 -11.708 4.129 1.00 0.00 O ATOM 467 CB GLU A 27 -5.582 -14.111 6.599 1.00 0.00 C ATOM 468 CG GLU A 27 -5.435 -15.628 6.758 1.00 0.00 C ATOM 469 CD GLU A 27 -5.716 -16.378 5.462 1.00 0.00 C ATOM 470 OE1 GLU A 27 -6.872 -16.347 4.978 1.00 0.00 O ATOM 471 OE2 GLU A 27 -4.748 -16.902 4.875 1.00 0.00 O ATOM 0 H GLU A 27 -4.271 -12.085 7.252 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.798 -14.201 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.527 -13.650 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.574 -13.897 6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.425 -15.859 7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.118 -15.977 7.532 1.00 0.00 H new ATOM 478 N VAL A 28 -5.831 -13.829 3.698 1.00 0.00 N ATOM 479 CA VAL A 28 -6.298 -13.708 2.321 1.00 0.00 C ATOM 480 C VAL A 28 -7.817 -13.468 2.342 1.00 0.00 C ATOM 481 O VAL A 28 -8.602 -14.108 1.637 1.00 0.00 O ATOM 482 CB VAL A 28 -5.813 -14.951 1.534 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.047 -14.786 0.027 1.00 0.00 C ATOM 484 CG2 VAL A 28 -4.308 -15.192 1.748 1.00 0.00 C ATOM 0 H VAL A 28 -6.043 -14.747 4.088 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.881 -12.851 1.793 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.388 -15.797 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.695 -15.676 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.112 -14.650 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.500 -13.914 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.996 -16.071 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.748 -14.322 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.113 -15.354 2.808 1.00 0.00 H new ATOM 494 N SER A 29 -8.220 -12.555 3.220 1.00 0.00 N ATOM 495 CA SER A 29 -9.577 -12.118 3.499 1.00 0.00 C ATOM 496 C SER A 29 -9.759 -10.699 2.948 1.00 0.00 C ATOM 497 O SER A 29 -8.819 -10.125 2.386 1.00 0.00 O ATOM 498 CB SER A 29 -9.726 -12.153 5.023 1.00 0.00 C ATOM 499 OG SER A 29 -11.060 -12.013 5.460 1.00 0.00 O ATOM 0 H SER A 29 -7.544 -12.061 3.803 1.00 0.00 H new ATOM 0 HA SER A 29 -10.332 -12.751 3.033 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.326 -13.095 5.398 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.124 -11.355 5.458 1.00 0.00 H new ATOM 0 HG SER A 29 -11.291 -11.062 5.506 1.00 0.00 H new ATOM 505 N GLU A 30 -10.915 -10.079 3.189 1.00 0.00 N ATOM 506 CA GLU A 30 -11.041 -8.631 3.104 1.00 0.00 C ATOM 507 C GLU A 30 -11.208 -8.031 4.485 1.00 0.00 C ATOM 508 O GLU A 30 -11.549 -8.713 5.452 1.00 0.00 O ATOM 509 CB GLU A 30 -12.139 -8.194 2.126 1.00 0.00 C ATOM 510 CG GLU A 30 -13.551 -7.925 2.669 1.00 0.00 C ATOM 511 CD GLU A 30 -14.505 -7.499 1.542 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.344 -6.396 0.959 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.389 -8.308 1.174 1.00 0.00 O ATOM 0 H GLU A 30 -11.776 -10.562 3.445 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.114 -8.238 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.797 -7.285 1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.222 -8.963 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.934 -8.822 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.509 -7.145 3.429 1.00 0.00 H new ATOM 520 N PHE A 31 -10.982 -6.730 4.541 1.00 0.00 N ATOM 521 CA PHE A 31 -11.365 -5.836 5.605 1.00 0.00 C ATOM 522 C PHE A 31 -11.566 -4.469 4.945 1.00 0.00 C ATOM 523 O PHE A 31 -11.707 -4.363 3.724 1.00 0.00 O ATOM 524 CB PHE A 31 -10.311 -5.862 6.725 1.00 0.00 C ATOM 525 CG PHE A 31 -8.889 -5.543 6.307 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.059 -6.558 5.787 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.395 -4.231 6.451 1.00 0.00 C ATOM 528 CE1 PHE A 31 -6.743 -6.247 5.398 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.079 -3.929 6.070 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.256 -4.934 5.541 1.00 0.00 C ATOM 0 H PHE A 31 -10.492 -6.243 3.790 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.291 -6.125 6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.610 -5.151 7.495 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.321 -6.851 7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.431 -7.567 5.688 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.030 -3.457 6.855 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.106 -7.017 4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.700 -2.924 6.184 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.245 -4.700 5.242 1.00 0.00 H new ATOM 540 N ASP A 32 -11.620 -3.407 5.735 1.00 0.00 N ATOM 541 CA ASP A 32 -11.743 -2.025 5.304 1.00 0.00 C ATOM 542 C ASP A 32 -10.872 -1.190 6.240 1.00 0.00 C ATOM 543 O ASP A 32 -10.655 -1.585 7.388 1.00 0.00 O ATOM 544 CB ASP A 32 -13.217 -1.594 5.323 1.00 0.00 C ATOM 545 CG ASP A 32 -13.878 -1.660 6.701 1.00 0.00 C ATOM 546 OD1 ASP A 32 -13.962 -2.760 7.296 1.00 0.00 O ATOM 547 OD2 ASP A 32 -14.442 -0.630 7.122 1.00 0.00 O ATOM 0 H ASP A 32 -11.577 -3.493 6.750 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.404 -1.887 4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.289 -0.573 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.777 -2.227 4.634 1.00 0.00 H new ATOM 552 N TRP A 33 -10.301 -0.095 5.735 1.00 0.00 N ATOM 553 CA TRP A 33 -9.325 0.709 6.470 1.00 0.00 C ATOM 554 C TRP A 33 -9.613 2.210 6.344 1.00 0.00 C ATOM 555 O TRP A 33 -10.013 2.679 5.274 1.00 0.00 O ATOM 556 CB TRP A 33 -7.931 0.363 5.925 1.00 0.00 C ATOM 557 CG TRP A 33 -6.764 0.760 6.775 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.951 1.818 6.564 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.263 0.110 7.978 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.939 1.829 7.503 1.00 0.00 N ATOM 561 CE2 TRP A 33 -5.077 0.786 8.394 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.697 -0.979 8.763 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.331 0.366 9.504 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -5.979 -1.380 9.905 1.00 0.00 C ATOM 565 CH2 TRP A 33 -4.791 -0.720 10.264 1.00 0.00 C ATOM 0 H TRP A 33 -10.504 0.260 4.801 1.00 0.00 H new ATOM 0 HA TRP A 33 -9.384 0.478 7.534 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.885 -0.714 5.764 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.819 0.836 4.949 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.074 2.547 5.777 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -4.188 2.518 7.534 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.593 -1.513 8.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.415 0.872 9.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.342 -2.199 10.508 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.231 -1.050 11.127 1.00 0.00 H new ATOM 576 N TYR A 34 -9.328 2.969 7.409 1.00 0.00 N ATOM 577 CA TYR A 34 -9.251 4.426 7.416 1.00 0.00 C ATOM 578 C TYR A 34 -7.794 4.815 7.660 1.00 0.00 C ATOM 579 O TYR A 34 -7.255 4.606 8.753 1.00 0.00 O ATOM 580 CB TYR A 34 -10.208 5.060 8.443 1.00 0.00 C ATOM 581 CG TYR A 34 -10.158 6.588 8.505 1.00 0.00 C ATOM 582 CD1 TYR A 34 -10.496 7.360 7.378 1.00 0.00 C ATOM 583 CD2 TYR A 34 -9.796 7.252 9.694 1.00 0.00 C ATOM 584 CE1 TYR A 34 -10.471 8.767 7.421 1.00 0.00 C ATOM 585 CE2 TYR A 34 -9.784 8.659 9.757 1.00 0.00 C ATOM 586 CZ TYR A 34 -10.119 9.424 8.620 1.00 0.00 C ATOM 587 OH TYR A 34 -10.108 10.785 8.675 1.00 0.00 O ATOM 0 H TYR A 34 -9.138 2.563 8.325 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.579 4.816 6.452 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.227 4.753 8.208 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.975 4.662 9.431 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.780 6.863 6.462 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.525 6.676 10.566 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.720 9.341 6.541 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.517 9.154 10.679 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.845 11.074 9.574 1.00 0.00 H new ATOM 597 N TYR A 35 -7.139 5.352 6.631 1.00 0.00 N ATOM 598 CA TYR A 35 -5.816 5.948 6.731 1.00 0.00 C ATOM 599 C TYR A 35 -5.977 7.353 7.316 1.00 0.00 C ATOM 600 O TYR A 35 -6.221 8.291 6.557 1.00 0.00 O ATOM 601 CB TYR A 35 -5.180 6.024 5.332 1.00 0.00 C ATOM 602 CG TYR A 35 -4.802 4.697 4.724 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.631 4.050 5.146 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.616 4.111 3.738 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.301 2.792 4.624 1.00 0.00 C ATOM 606 CE2 TYR A 35 -5.269 2.872 3.175 1.00 0.00 C ATOM 607 CZ TYR A 35 -4.114 2.196 3.638 1.00 0.00 C ATOM 608 OH TYR A 35 -3.800 0.950 3.198 1.00 0.00 O ATOM 0 H TYR A 35 -7.525 5.383 5.687 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.169 5.348 7.372 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.876 6.527 4.661 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.287 6.646 5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.985 4.521 5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.513 4.617 3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.420 2.277 4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.878 2.438 2.395 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.420 1.008 2.297 1.00 0.00 H new ATOM 618 N ASP A 36 -5.826 7.539 8.630 1.00 0.00 N ATOM 619 CA ASP A 36 -5.890 8.853 9.283 1.00 0.00 C ATOM 620 C ASP A 36 -4.506 9.514 9.291 1.00 0.00 C ATOM 621 O ASP A 36 -4.234 10.385 10.114 1.00 0.00 O ATOM 622 CB ASP A 36 -6.442 8.720 10.710 1.00 0.00 C ATOM 623 CG ASP A 36 -6.777 10.061 11.388 1.00 0.00 C ATOM 624 OD1 ASP A 36 -7.025 11.097 10.729 1.00 0.00 O ATOM 625 OD2 ASP A 36 -6.796 10.103 12.640 1.00 0.00 O ATOM 0 H ASP A 36 -5.654 6.772 9.280 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.569 9.490 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.342 8.105 10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.712 8.190 11.321 1.00 0.00 H new ATOM 630 N THR A 37 -3.574 9.069 8.439 1.00 0.00 N ATOM 631 CA THR A 37 -2.234 9.634 8.264 1.00 0.00 C ATOM 632 C THR A 37 -1.583 9.046 7.015 1.00 0.00 C ATOM 633 O THR A 37 -2.050 8.039 6.480 1.00 0.00 O ATOM 634 CB THR A 37 -1.347 9.413 9.515 1.00 0.00 C ATOM 635 OG1 THR A 37 -1.960 8.604 10.499 1.00 0.00 O ATOM 636 CG2 THR A 37 -1.078 10.774 10.148 1.00 0.00 C ATOM 0 H THR A 37 -3.743 8.271 7.827 1.00 0.00 H new ATOM 0 HA THR A 37 -2.333 10.712 8.136 1.00 0.00 H new ATOM 0 HB THR A 37 -0.440 8.907 9.183 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.353 8.500 11.261 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.454 10.647 11.033 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.564 11.414 9.431 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.023 11.236 10.434 1.00 0.00 H new ATOM 644 N ASN A 38 -0.515 9.715 6.572 1.00 0.00 N ATOM 645 CA ASN A 38 0.360 9.335 5.474 1.00 0.00 C ATOM 646 C ASN A 38 0.941 7.959 5.802 1.00 0.00 C ATOM 647 O ASN A 38 1.868 7.857 6.604 1.00 0.00 O ATOM 648 CB ASN A 38 1.480 10.373 5.297 1.00 0.00 C ATOM 649 CG ASN A 38 1.042 11.828 5.394 1.00 0.00 C ATOM 650 OD1 ASN A 38 0.448 12.386 4.468 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.311 12.471 6.520 1.00 0.00 N ATOM 0 H ASN A 38 -0.225 10.593 7.003 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.196 9.295 4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.245 10.190 6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.948 10.216 4.325 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.026 13.444 6.632 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.803 11.993 7.275 1.00 0.00 H new ATOM 658 N GLU A 39 0.428 6.904 5.173 1.00 0.00 N ATOM 659 CA GLU A 39 1.066 5.591 5.173 1.00 0.00 C ATOM 660 C GLU A 39 1.667 5.401 3.791 1.00 0.00 C ATOM 661 O GLU A 39 0.985 5.623 2.783 1.00 0.00 O ATOM 662 CB GLU A 39 0.088 4.462 5.538 1.00 0.00 C ATOM 663 CG GLU A 39 0.849 3.135 5.712 1.00 0.00 C ATOM 664 CD GLU A 39 -0.058 1.989 6.169 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.515 1.982 7.339 1.00 0.00 O ATOM 666 OE2 GLU A 39 -0.298 1.066 5.357 1.00 0.00 O ATOM 0 H GLU A 39 -0.445 6.937 4.647 1.00 0.00 H new ATOM 0 HA GLU A 39 1.839 5.545 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.439 4.711 6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.666 4.358 4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.321 2.865 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.649 3.272 6.440 1.00 0.00 H new ATOM 673 N THR A 40 2.962 5.113 3.727 1.00 0.00 N ATOM 674 CA THR A 40 3.628 4.677 2.511 1.00 0.00 C ATOM 675 C THR A 40 3.744 3.159 2.610 1.00 0.00 C ATOM 676 O THR A 40 3.948 2.638 3.710 1.00 0.00 O ATOM 677 CB THR A 40 5.004 5.362 2.403 1.00 0.00 C ATOM 678 OG1 THR A 40 4.864 6.766 2.397 1.00 0.00 O ATOM 679 CG2 THR A 40 5.766 5.007 1.123 1.00 0.00 C ATOM 0 H THR A 40 3.586 5.178 4.532 1.00 0.00 H new ATOM 0 HA THR A 40 3.075 4.948 1.611 1.00 0.00 H new ATOM 0 HB THR A 40 5.560 5.004 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.748 7.183 2.330 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.725 5.525 1.115 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.935 3.931 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.182 5.312 0.255 1.00 0.00 H new ATOM 687 N CYS A 41 3.664 2.440 1.493 1.00 0.00 N ATOM 688 CA CYS A 41 4.085 1.050 1.446 1.00 0.00 C ATOM 689 C CYS A 41 4.666 0.711 0.080 1.00 0.00 C ATOM 690 O CYS A 41 4.418 1.414 -0.903 1.00 0.00 O ATOM 691 CB CYS A 41 2.929 0.111 1.817 1.00 0.00 C ATOM 692 SG CYS A 41 1.464 0.381 0.777 1.00 0.00 S ATOM 0 H CYS A 41 3.310 2.802 0.608 1.00 0.00 H new ATOM 0 HA CYS A 41 4.871 0.905 2.187 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.257 -0.924 1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.662 0.261 2.863 1.00 0.00 H new ATOM 0 HG CYS A 41 0.521 -0.440 1.133 1.00 0.00 H new ATOM 698 N TYR A 42 5.425 -0.384 0.034 1.00 0.00 N ATOM 699 CA TYR A 42 6.139 -0.868 -1.137 1.00 0.00 C ATOM 700 C TYR A 42 5.810 -2.347 -1.330 1.00 0.00 C ATOM 701 O TYR A 42 6.233 -3.186 -0.530 1.00 0.00 O ATOM 702 CB TYR A 42 7.639 -0.648 -0.920 1.00 0.00 C ATOM 703 CG TYR A 42 8.499 -1.171 -2.050 1.00 0.00 C ATOM 704 CD1 TYR A 42 8.271 -0.755 -3.379 1.00 0.00 C ATOM 705 CD2 TYR A 42 9.523 -2.097 -1.768 1.00 0.00 C ATOM 706 CE1 TYR A 42 9.064 -1.278 -4.412 1.00 0.00 C ATOM 707 CE2 TYR A 42 10.323 -2.615 -2.800 1.00 0.00 C ATOM 708 CZ TYR A 42 10.085 -2.210 -4.130 1.00 0.00 C ATOM 709 OH TYR A 42 10.829 -2.696 -5.158 1.00 0.00 O ATOM 0 H TYR A 42 5.562 -0.981 0.850 1.00 0.00 H new ATOM 0 HA TYR A 42 5.840 -0.329 -2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.827 0.418 -0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.938 -1.135 0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.492 -0.040 -3.599 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.694 -2.411 -0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.891 -0.965 -5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 42 11.113 -3.317 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 42 11.494 -3.327 -4.811 1.00 0.00 H new ATOM 719 N ILE A 43 4.990 -2.673 -2.327 1.00 0.00 N ATOM 720 CA ILE A 43 4.423 -4.007 -2.470 1.00 0.00 C ATOM 721 C ILE A 43 5.452 -4.947 -3.115 1.00 0.00 C ATOM 722 O ILE A 43 5.829 -4.767 -4.280 1.00 0.00 O ATOM 723 CB ILE A 43 3.113 -3.941 -3.279 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.108 -2.849 -2.829 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.447 -5.327 -3.251 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.595 -2.981 -1.392 1.00 0.00 C ATOM 0 H ILE A 43 4.702 -2.020 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 43 4.180 -4.410 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 43 3.394 -3.650 -4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.583 -1.874 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.253 -2.865 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.518 -5.296 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.119 -6.063 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.232 -5.606 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.899 -2.170 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.085 -3.937 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.435 -2.931 -0.700 1.00 0.00 H new ATOM 738 N LEU A 44 5.883 -5.979 -2.382 1.00 0.00 N ATOM 739 CA LEU A 44 6.842 -6.963 -2.888 1.00 0.00 C ATOM 740 C LEU A 44 6.176 -8.165 -3.519 1.00 0.00 C ATOM 741 O LEU A 44 6.765 -8.733 -4.434 1.00 0.00 O ATOM 742 CB LEU A 44 7.721 -7.507 -1.750 1.00 0.00 C ATOM 743 CG LEU A 44 8.679 -6.484 -1.132 1.00 0.00 C ATOM 744 CD1 LEU A 44 9.179 -7.030 0.210 1.00 0.00 C ATOM 745 CD2 LEU A 44 9.863 -6.161 -2.049 1.00 0.00 C ATOM 0 H LEU A 44 5.577 -6.154 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 44 7.428 -6.429 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.074 -7.898 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.304 -8.346 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 44 8.135 -5.550 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.863 -6.312 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.331 -7.193 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.699 -7.974 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.511 -5.431 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.428 -7.072 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.494 -5.750 -2.989 1.00 0.00 H new ATOM 757 N GLU A 45 5.005 -8.580 -3.038 1.00 0.00 N ATOM 758 CA GLU A 45 4.344 -9.803 -3.481 1.00 0.00 C ATOM 759 C GLU A 45 2.892 -9.793 -3.002 1.00 0.00 C ATOM 760 O GLU A 45 2.546 -9.020 -2.106 1.00 0.00 O ATOM 761 CB GLU A 45 5.116 -11.043 -2.999 1.00 0.00 C ATOM 762 CG GLU A 45 5.247 -11.119 -1.468 1.00 0.00 C ATOM 763 CD GLU A 45 6.339 -12.071 -0.975 1.00 0.00 C ATOM 764 OE1 GLU A 45 7.226 -12.483 -1.758 1.00 0.00 O ATOM 765 OE2 GLU A 45 6.327 -12.364 0.242 1.00 0.00 O ATOM 0 H GLU A 45 4.485 -8.071 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 45 4.338 -9.848 -4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.611 -11.940 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.112 -11.038 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.451 -10.120 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.291 -11.433 -1.049 1.00 0.00 H new ATOM 772 N GLY A 46 2.058 -10.653 -3.591 1.00 0.00 N ATOM 773 CA GLY A 46 0.626 -10.740 -3.331 1.00 0.00 C ATOM 774 C GLY A 46 -0.159 -9.695 -4.121 1.00 0.00 C ATOM 775 O GLY A 46 0.397 -8.972 -4.957 1.00 0.00 O ATOM 0 H GLY A 46 2.376 -11.329 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.269 -11.736 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.441 -10.604 -2.265 1.00 0.00 H new ATOM 779 N LYS A 47 -1.474 -9.639 -3.905 1.00 0.00 N ATOM 780 CA LYS A 47 -2.405 -8.831 -4.695 1.00 0.00 C ATOM 781 C LYS A 47 -3.395 -8.216 -3.724 1.00 0.00 C ATOM 782 O LYS A 47 -3.913 -8.914 -2.849 1.00 0.00 O ATOM 783 CB LYS A 47 -3.148 -9.723 -5.700 1.00 0.00 C ATOM 784 CG LYS A 47 -3.642 -9.069 -7.005 1.00 0.00 C ATOM 785 CD LYS A 47 -4.538 -7.829 -6.877 1.00 0.00 C ATOM 786 CE LYS A 47 -5.512 -7.600 -8.047 1.00 0.00 C ATOM 787 NZ LYS A 47 -4.941 -7.798 -9.400 1.00 0.00 N ATOM 0 H LYS A 47 -1.931 -10.165 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.874 -8.059 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.489 -10.549 -5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.011 -10.154 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.768 -8.794 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.188 -9.822 -7.574 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.115 -7.911 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.902 -6.950 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.361 -8.274 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.900 -6.584 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.649 -7.539 -10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.099 -7.199 -9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.675 -8.796 -9.522 1.00 0.00 H new ATOM 801 N VAL A 48 -3.740 -6.954 -3.935 1.00 0.00 N ATOM 802 CA VAL A 48 -4.722 -6.262 -3.118 1.00 0.00 C ATOM 803 C VAL A 48 -5.646 -5.474 -4.041 1.00 0.00 C ATOM 804 O VAL A 48 -5.305 -5.167 -5.189 1.00 0.00 O ATOM 805 CB VAL A 48 -4.011 -5.374 -2.059 1.00 0.00 C ATOM 806 CG1 VAL A 48 -4.934 -4.474 -1.212 1.00 0.00 C ATOM 807 CG2 VAL A 48 -3.185 -6.213 -1.075 1.00 0.00 C ATOM 0 H VAL A 48 -3.345 -6.381 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.332 -6.969 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.385 -4.728 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.334 -3.899 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.478 -3.792 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.643 -5.094 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.704 -5.556 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.840 -6.911 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.424 -6.770 -1.621 1.00 0.00 H new ATOM 817 N GLU A 49 -6.827 -5.170 -3.518 1.00 0.00 N ATOM 818 CA GLU A 49 -7.897 -4.440 -4.150 1.00 0.00 C ATOM 819 C GLU A 49 -8.356 -3.368 -3.148 1.00 0.00 C ATOM 820 O GLU A 49 -9.091 -3.626 -2.191 1.00 0.00 O ATOM 821 CB GLU A 49 -9.002 -5.428 -4.558 1.00 0.00 C ATOM 822 CG GLU A 49 -9.377 -5.402 -6.043 1.00 0.00 C ATOM 823 CD GLU A 49 -10.831 -5.874 -6.180 1.00 0.00 C ATOM 824 OE1 GLU A 49 -11.746 -5.089 -5.816 1.00 0.00 O ATOM 825 OE2 GLU A 49 -11.072 -7.036 -6.559 1.00 0.00 O ATOM 0 H GLU A 49 -7.071 -5.453 -2.569 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.591 -3.937 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.681 -6.437 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.894 -5.215 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.265 -4.395 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.712 -6.050 -6.614 1.00 0.00 H new ATOM 832 N VAL A 50 -7.841 -2.158 -3.336 1.00 0.00 N ATOM 833 CA VAL A 50 -8.251 -0.873 -2.835 1.00 0.00 C ATOM 834 C VAL A 50 -9.183 -0.024 -3.692 1.00 0.00 C ATOM 835 O VAL A 50 -8.856 1.034 -4.221 1.00 0.00 O ATOM 836 CB VAL A 50 -7.236 -0.248 -1.885 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.643 -0.167 -0.449 1.00 0.00 C ATOM 838 CG2 VAL A 50 -5.748 -0.406 -2.075 1.00 0.00 C ATOM 0 H VAL A 50 -7.015 -2.055 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.072 -1.052 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.339 0.738 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.843 0.295 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.548 0.434 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.835 -1.170 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.222 0.123 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.487 -1.464 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.458 0.009 -3.041 1.00 0.00 H new ATOM 848 N THR A 51 -10.424 -0.487 -3.765 1.00 0.00 N ATOM 849 CA THR A 51 -11.540 0.308 -4.243 1.00 0.00 C ATOM 850 C THR A 51 -11.830 1.298 -3.117 1.00 0.00 C ATOM 851 O THR A 51 -12.187 0.898 -2.001 1.00 0.00 O ATOM 852 CB THR A 51 -12.709 -0.615 -4.599 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.194 -1.668 -5.399 1.00 0.00 O ATOM 854 CG2 THR A 51 -13.805 0.116 -5.375 1.00 0.00 C ATOM 0 H THR A 51 -10.683 -1.435 -3.491 1.00 0.00 H new ATOM 0 HA THR A 51 -11.337 0.860 -5.161 1.00 0.00 H new ATOM 0 HB THR A 51 -13.158 -0.987 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.920 -2.279 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.613 -0.579 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.193 0.936 -4.771 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.392 0.512 -6.303 1.00 0.00 H new ATOM 862 N THR A 52 -11.599 2.582 -3.368 1.00 0.00 N ATOM 863 CA THR A 52 -11.996 3.648 -2.458 1.00 0.00 C ATOM 864 C THR A 52 -13.528 3.743 -2.422 1.00 0.00 C ATOM 865 O THR A 52 -14.220 3.091 -3.210 1.00 0.00 O ATOM 866 CB THR A 52 -11.311 4.958 -2.876 1.00 0.00 C ATOM 867 OG1 THR A 52 -11.632 5.256 -4.222 1.00 0.00 O ATOM 868 CG2 THR A 52 -9.794 4.856 -2.762 1.00 0.00 C ATOM 0 H THR A 52 -11.130 2.913 -4.211 1.00 0.00 H new ATOM 0 HA THR A 52 -11.670 3.435 -1.440 1.00 0.00 H new ATOM 0 HB THR A 52 -11.667 5.742 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.123 4.667 -4.818 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.342 5.800 -3.066 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.521 4.638 -1.730 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.433 4.057 -3.409 1.00 0.00 H new ATOM 876 N GLU A 53 -14.094 4.519 -1.498 1.00 0.00 N ATOM 877 CA GLU A 53 -15.527 4.824 -1.522 1.00 0.00 C ATOM 878 C GLU A 53 -15.870 5.655 -2.773 1.00 0.00 C ATOM 879 O GLU A 53 -16.995 5.643 -3.271 1.00 0.00 O ATOM 880 CB GLU A 53 -15.863 5.553 -0.213 1.00 0.00 C ATOM 881 CG GLU A 53 -17.353 5.835 0.016 1.00 0.00 C ATOM 882 CD GLU A 53 -18.229 4.609 0.323 1.00 0.00 C ATOM 883 OE1 GLU A 53 -17.822 3.441 0.112 1.00 0.00 O ATOM 884 OE2 GLU A 53 -19.376 4.814 0.795 1.00 0.00 O ATOM 0 H GLU A 53 -13.585 4.948 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.130 3.918 -1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.490 4.958 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.324 6.500 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.447 6.540 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.750 6.328 -0.871 1.00 0.00 H new ATOM 891 N ASP A 54 -14.866 6.331 -3.334 1.00 0.00 N ATOM 892 CA ASP A 54 -14.945 7.156 -4.536 1.00 0.00 C ATOM 893 C ASP A 54 -14.960 6.299 -5.804 1.00 0.00 C ATOM 894 O ASP A 54 -14.918 6.829 -6.913 1.00 0.00 O ATOM 895 CB ASP A 54 -13.761 8.137 -4.545 1.00 0.00 C ATOM 896 CG ASP A 54 -13.784 8.960 -3.261 1.00 0.00 C ATOM 897 OD1 ASP A 54 -14.729 9.768 -3.114 1.00 0.00 O ATOM 898 OD2 ASP A 54 -12.971 8.697 -2.343 1.00 0.00 O ATOM 0 H ASP A 54 -13.926 6.315 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.880 7.715 -4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.821 7.591 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.823 8.793 -5.413 1.00 0.00 H new ATOM 903 N GLY A 55 -14.972 4.967 -5.679 1.00 0.00 N ATOM 904 CA GLY A 55 -15.030 4.023 -6.789 1.00 0.00 C ATOM 905 C GLY A 55 -13.710 3.919 -7.557 1.00 0.00 C ATOM 906 O GLY A 55 -13.561 3.017 -8.383 1.00 0.00 O ATOM 0 H GLY A 55 -14.940 4.506 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.300 3.038 -6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.820 4.327 -7.476 1.00 0.00 H new ATOM 910 N LYS A 56 -12.724 4.786 -7.294 1.00 0.00 N ATOM 911 CA LYS A 56 -11.378 4.647 -7.844 1.00 0.00 C ATOM 912 C LYS A 56 -10.785 3.395 -7.239 1.00 0.00 C ATOM 913 O LYS A 56 -10.540 3.347 -6.030 1.00 0.00 O ATOM 914 CB LYS A 56 -10.487 5.870 -7.564 1.00 0.00 C ATOM 915 CG LYS A 56 -10.961 7.123 -8.310 1.00 0.00 C ATOM 916 CD LYS A 56 -10.837 6.997 -9.836 1.00 0.00 C ATOM 917 CE LYS A 56 -11.118 8.338 -10.520 1.00 0.00 C ATOM 918 NZ LYS A 56 -11.194 8.199 -11.987 1.00 0.00 N ATOM 0 H LYS A 56 -12.841 5.602 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.434 4.577 -8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.477 6.071 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.462 5.643 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.001 7.322 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.379 7.981 -7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.836 6.654 -10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.536 6.245 -10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.056 8.748 -10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.333 9.049 -10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.385 9.128 -12.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.291 7.831 -12.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.960 7.540 -12.234 1.00 0.00 H new ATOM 932 N LYS A 57 -10.646 2.368 -8.071 1.00 0.00 N ATOM 933 CA LYS A 57 -10.084 1.096 -7.687 1.00 0.00 C ATOM 934 C LYS A 57 -8.585 1.123 -7.877 1.00 0.00 C ATOM 935 O LYS A 57 -8.075 1.536 -8.924 1.00 0.00 O ATOM 936 CB LYS A 57 -10.833 -0.080 -8.349 1.00 0.00 C ATOM 937 CG LYS A 57 -10.228 -0.647 -9.645 1.00 0.00 C ATOM 938 CD LYS A 57 -10.475 0.318 -10.801 1.00 0.00 C ATOM 939 CE LYS A 57 -11.790 -0.074 -11.474 1.00 0.00 C ATOM 940 NZ LYS A 57 -12.098 0.725 -12.672 1.00 0.00 N ATOM 0 H LYS A 57 -10.930 2.407 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.236 0.918 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.902 -0.890 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.852 0.243 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.158 -0.808 -9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.671 -1.617 -9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.525 1.344 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.653 0.274 -11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.747 -1.127 -11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.603 0.034 -10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.001 0.408 -13.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.170 1.729 -12.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.341 0.603 -13.375 1.00 0.00 H new ATOM 954 N TYR A 58 -7.898 0.675 -6.842 1.00 0.00 N ATOM 955 CA TYR A 58 -6.473 0.561 -6.718 1.00 0.00 C ATOM 956 C TYR A 58 -6.185 -0.919 -6.593 1.00 0.00 C ATOM 957 O TYR A 58 -6.078 -1.494 -5.508 1.00 0.00 O ATOM 958 CB TYR A 58 -5.993 1.362 -5.517 1.00 0.00 C ATOM 959 CG TYR A 58 -6.378 2.831 -5.489 1.00 0.00 C ATOM 960 CD1 TYR A 58 -6.570 3.568 -6.675 1.00 0.00 C ATOM 961 CD2 TYR A 58 -6.576 3.456 -4.247 1.00 0.00 C ATOM 962 CE1 TYR A 58 -6.913 4.928 -6.617 1.00 0.00 C ATOM 963 CE2 TYR A 58 -6.921 4.815 -4.187 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.082 5.562 -5.371 1.00 0.00 C ATOM 965 OH TYR A 58 -7.385 6.885 -5.314 1.00 0.00 O ATOM 0 H TYR A 58 -8.374 0.356 -5.998 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.940 0.968 -7.577 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.380 0.890 -4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.906 1.292 -5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.453 3.084 -7.633 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.462 2.889 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.048 5.489 -7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.064 5.291 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.467 7.162 -4.377 1.00 0.00 H new ATOM 975 N VAL A 59 -6.088 -1.539 -7.753 1.00 0.00 N ATOM 976 CA VAL A 59 -5.358 -2.774 -7.881 1.00 0.00 C ATOM 977 C VAL A 59 -3.911 -2.376 -7.613 1.00 0.00 C ATOM 978 O VAL A 59 -3.418 -1.422 -8.223 1.00 0.00 O ATOM 979 CB VAL A 59 -5.574 -3.336 -9.290 1.00 0.00 C ATOM 980 CG1 VAL A 59 -4.684 -4.555 -9.516 1.00 0.00 C ATOM 981 CG2 VAL A 59 -7.053 -3.722 -9.475 1.00 0.00 C ATOM 0 H VAL A 59 -6.509 -1.202 -8.619 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.673 -3.561 -7.196 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.309 -2.571 -10.020 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.848 -4.944 -10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.638 -4.268 -9.404 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.929 -5.325 -8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.202 -4.121 -10.478 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.326 -4.478 -8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.679 -2.840 -9.339 1.00 0.00 H new ATOM 991 N ILE A 60 -3.251 -3.079 -6.703 1.00 0.00 N ATOM 992 CA ILE A 60 -1.813 -2.963 -6.515 1.00 0.00 C ATOM 993 C ILE A 60 -1.227 -4.363 -6.551 1.00 0.00 C ATOM 994 O ILE A 60 -1.815 -5.330 -6.047 1.00 0.00 O ATOM 995 CB ILE A 60 -1.427 -2.144 -5.263 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.204 -2.566 -3.995 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.561 -0.649 -5.590 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.986 -1.671 -2.768 1.00 0.00 C ATOM 0 H ILE A 60 -3.698 -3.746 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.378 -2.380 -7.327 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.387 -2.355 -5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.268 -2.582 -4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.919 -3.586 -3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.291 -0.059 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.896 -0.396 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.591 -0.429 -5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.574 -2.050 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.930 -1.673 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.300 -0.653 -3.000 1.00 0.00 H new ATOM 1010 N GLU A 61 -0.089 -4.465 -7.217 1.00 0.00 N ATOM 1011 CA GLU A 61 0.580 -5.695 -7.582 1.00 0.00 C ATOM 1012 C GLU A 61 1.988 -5.625 -7.013 1.00 0.00 C ATOM 1013 O GLU A 61 2.376 -4.670 -6.343 1.00 0.00 O ATOM 1014 CB GLU A 61 0.585 -5.852 -9.116 1.00 0.00 C ATOM 1015 CG GLU A 61 -0.829 -6.037 -9.676 1.00 0.00 C ATOM 1016 CD GLU A 61 -0.884 -5.794 -11.186 1.00 0.00 C ATOM 1017 OE1 GLU A 61 -0.704 -6.762 -11.955 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -1.157 -4.648 -11.615 1.00 0.00 O ATOM 0 H GLU A 61 0.420 -3.640 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 61 0.067 -6.567 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.043 -4.973 -9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.199 -6.709 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.176 -7.047 -9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.511 -5.351 -9.173 1.00 0.00 H new ATOM 1025 N LYS A 62 2.751 -6.678 -7.251 1.00 0.00 N ATOM 1026 CA LYS A 62 4.083 -6.888 -6.696 1.00 0.00 C ATOM 1027 C LYS A 62 5.144 -5.995 -7.340 1.00 0.00 C ATOM 1028 O LYS A 62 6.125 -6.461 -7.918 1.00 0.00 O ATOM 1029 CB LYS A 62 4.381 -8.385 -6.764 1.00 0.00 C ATOM 1030 CG LYS A 62 4.552 -8.950 -8.173 1.00 0.00 C ATOM 1031 CD LYS A 62 4.314 -10.468 -8.204 1.00 0.00 C ATOM 1032 CE LYS A 62 3.640 -10.950 -9.500 1.00 0.00 C ATOM 1033 NZ LYS A 62 4.558 -11.040 -10.656 1.00 0.00 N ATOM 0 H LYS A 62 2.451 -7.440 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 62 4.113 -6.577 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.290 -8.584 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.572 -8.923 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.855 -8.457 -8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.557 -8.731 -8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.268 -10.981 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.693 -10.749 -7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.196 -11.930 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.825 -10.270 -9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.033 -11.371 -11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.964 -10.102 -10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.323 -11.710 -10.440 1.00 0.00 H new ATOM 1047 N GLY A 63 4.996 -4.691 -7.235 1.00 0.00 N ATOM 1048 CA GLY A 63 5.934 -3.735 -7.798 1.00 0.00 C ATOM 1049 C GLY A 63 5.360 -2.337 -7.872 1.00 0.00 C ATOM 1050 O GLY A 63 5.697 -1.627 -8.816 1.00 0.00 O ATOM 0 H GLY A 63 4.211 -4.257 -6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.841 -3.721 -7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.223 -4.059 -8.798 1.00 0.00 H new ATOM 1054 N ASP A 64 4.523 -1.931 -6.916 1.00 0.00 N ATOM 1055 CA ASP A 64 3.980 -0.574 -6.843 1.00 0.00 C ATOM 1056 C ASP A 64 4.372 0.014 -5.488 1.00 0.00 C ATOM 1057 O ASP A 64 4.316 -0.686 -4.467 1.00 0.00 O ATOM 1058 CB ASP A 64 2.447 -0.616 -7.006 1.00 0.00 C ATOM 1059 CG ASP A 64 2.009 -1.189 -8.356 1.00 0.00 C ATOM 1060 OD1 ASP A 64 2.372 -0.636 -9.417 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.339 -2.253 -8.404 1.00 0.00 O ATOM 0 H ASP A 64 4.200 -2.540 -6.164 1.00 0.00 H new ATOM 0 HA ASP A 64 4.381 0.049 -7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.017 -1.217 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.047 0.392 -6.897 1.00 0.00 H new ATOM 1066 N LEU A 65 4.755 1.294 -5.469 1.00 0.00 N ATOM 1067 CA LEU A 65 4.840 2.106 -4.264 1.00 0.00 C ATOM 1068 C LEU A 65 3.514 2.855 -4.155 1.00 0.00 C ATOM 1069 O LEU A 65 3.010 3.349 -5.169 1.00 0.00 O ATOM 1070 CB LEU A 65 6.000 3.098 -4.420 1.00 0.00 C ATOM 1071 CG LEU A 65 6.177 4.077 -3.238 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.966 3.440 -2.091 1.00 0.00 C ATOM 1073 CD2 LEU A 65 6.909 5.339 -3.701 1.00 0.00 C ATOM 0 H LEU A 65 5.020 1.801 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 65 5.017 1.504 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.925 2.536 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.846 3.675 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 65 5.181 4.332 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.070 4.159 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.436 2.558 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.954 3.149 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.027 6.021 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.891 5.068 -4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.331 5.828 -4.485 1.00 0.00 H new ATOM 1085 N VAL A 66 2.985 3.001 -2.943 1.00 0.00 N ATOM 1086 CA VAL A 66 1.781 3.774 -2.674 1.00 0.00 C ATOM 1087 C VAL A 66 2.109 4.786 -1.583 1.00 0.00 C ATOM 1088 O VAL A 66 2.781 4.435 -0.613 1.00 0.00 O ATOM 1089 CB VAL A 66 0.622 2.837 -2.267 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.716 3.591 -2.199 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.450 1.650 -3.229 1.00 0.00 C ATOM 0 H VAL A 66 3.390 2.577 -2.108 1.00 0.00 H new ATOM 0 HA VAL A 66 1.453 4.306 -3.567 1.00 0.00 H new ATOM 0 HB VAL A 66 0.893 2.458 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.508 2.901 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.646 4.391 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.944 4.016 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.378 1.026 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.241 2.022 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.366 1.059 -3.245 1.00 0.00 H new ATOM 1101 N THR A 67 1.599 6.012 -1.716 1.00 0.00 N ATOM 1102 CA THR A 67 1.554 7.004 -0.649 1.00 0.00 C ATOM 1103 C THR A 67 0.078 7.341 -0.455 1.00 0.00 C ATOM 1104 O THR A 67 -0.490 8.061 -1.283 1.00 0.00 O ATOM 1105 CB THR A 67 2.376 8.247 -1.034 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.702 7.894 -1.380 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.447 9.303 0.080 1.00 0.00 C ATOM 0 H THR A 67 1.197 6.347 -2.591 1.00 0.00 H new ATOM 0 HA THR A 67 1.989 6.627 0.277 1.00 0.00 H new ATOM 0 HB THR A 67 1.852 8.679 -1.887 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.203 8.701 -1.622 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.041 10.151 -0.260 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.440 9.641 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.910 8.867 0.965 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.564 6.810 0.586 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.898 7.256 0.979 1.00 0.00 C ATOM 1117 C PHE A 68 -1.796 8.677 1.573 1.00 0.00 C ATOM 1118 O PHE A 68 -0.741 9.030 2.110 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.513 6.244 1.962 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.725 4.858 1.365 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.909 4.554 0.663 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -1.733 3.867 1.499 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.103 3.272 0.113 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -1.922 2.590 0.944 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.113 2.283 0.263 1.00 0.00 C ATOM 0 H PHE A 68 -0.180 6.069 1.172 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.562 7.304 0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.865 6.159 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.471 6.629 2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.672 5.309 0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.821 4.090 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.013 3.048 -0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.149 1.842 1.041 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.267 1.294 -0.143 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.847 9.516 1.480 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.882 10.842 2.092 1.00 0.00 C ATOM 1137 C PRO A 69 -3.111 10.718 3.608 1.00 0.00 C ATOM 1138 O PRO A 69 -2.963 9.639 4.179 1.00 0.00 O ATOM 1139 CB PRO A 69 -4.003 11.586 1.353 1.00 0.00 C ATOM 1140 CG PRO A 69 -5.001 10.481 1.019 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.125 9.238 0.836 1.00 0.00 C ATOM 0 HA PRO A 69 -1.946 11.393 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.453 12.358 1.978 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.633 12.079 0.454 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.728 10.343 1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.563 10.710 0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.599 8.364 1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.983 9.019 -0.222 1.00 0.00 H new ATOM 1149 N LYS A 70 -3.482 11.811 4.277 1.00 0.00 N ATOM 1150 CA LYS A 70 -4.093 11.772 5.603 1.00 0.00 C ATOM 1151 C LYS A 70 -5.609 11.901 5.400 1.00 0.00 C ATOM 1152 O LYS A 70 -6.035 12.800 4.676 1.00 0.00 O ATOM 1153 CB LYS A 70 -3.466 12.899 6.444 1.00 0.00 C ATOM 1154 CG LYS A 70 -3.929 12.928 7.908 1.00 0.00 C ATOM 1155 CD LYS A 70 -2.970 13.744 8.777 1.00 0.00 C ATOM 1156 CE LYS A 70 -3.370 13.697 10.257 1.00 0.00 C ATOM 1157 NZ LYS A 70 -4.528 14.549 10.590 1.00 0.00 N ATOM 0 H LYS A 70 -3.365 12.755 3.909 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.915 10.844 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.381 12.794 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.703 13.857 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.930 13.355 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.994 11.910 8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.957 13.360 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.959 14.779 8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.599 12.667 10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.518 14.005 10.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.740 14.466 11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.307 15.539 10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.354 14.243 10.038 1.00 0.00 H new ATOM 1171 N GLY A 71 -6.400 11.006 5.993 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.856 10.920 5.920 1.00 0.00 C ATOM 1173 C GLY A 71 -8.381 10.332 4.603 1.00 0.00 C ATOM 1174 O GLY A 71 -8.800 11.091 3.726 1.00 0.00 O ATOM 0 H GLY A 71 -6.009 10.269 6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.216 10.309 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.276 11.917 6.054 1.00 0.00 H new ATOM 1178 N LEU A 72 -8.436 9.000 4.492 1.00 0.00 N ATOM 1179 CA LEU A 72 -9.066 8.230 3.411 1.00 0.00 C ATOM 1180 C LEU A 72 -9.706 7.001 4.017 1.00 0.00 C ATOM 1181 O LEU A 72 -9.015 6.296 4.747 1.00 0.00 O ATOM 1182 CB LEU A 72 -8.048 7.843 2.335 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.667 6.981 1.211 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -7.929 7.253 -0.090 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -8.528 5.497 1.441 1.00 0.00 C ATOM 0 H LEU A 72 -8.017 8.393 5.197 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.824 8.842 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.623 8.748 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.227 7.295 2.797 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.723 7.248 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.361 6.648 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.020 8.309 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.876 6.998 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.985 4.956 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.472 5.236 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.027 5.225 2.371 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.975 6.724 3.694 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.661 5.484 4.062 1.00 0.00 C ATOM 1199 C ARG A 73 -11.899 4.662 2.805 1.00 0.00 C ATOM 1200 O ARG A 73 -12.429 5.164 1.810 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.961 5.709 4.865 1.00 0.00 C ATOM 1202 CG ARG A 73 -14.027 6.648 4.270 1.00 0.00 C ATOM 1203 CD ARG A 73 -13.701 8.133 4.467 1.00 0.00 C ATOM 1204 NE ARG A 73 -14.860 8.978 4.145 1.00 0.00 N ATOM 1205 CZ ARG A 73 -15.310 10.006 4.872 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -14.636 10.467 5.917 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -16.463 10.565 4.548 1.00 0.00 N ATOM 0 H ARG A 73 -11.561 7.366 3.161 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.014 4.932 4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.426 4.736 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.685 6.097 5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.128 6.443 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.991 6.430 4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.396 8.307 5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.858 8.410 3.834 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.368 8.760 3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.751 10.036 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.003 11.253 6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.996 10.211 3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.820 11.350 5.093 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.497 3.398 2.816 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.698 2.496 1.697 1.00 0.00 C ATOM 1223 C CYS A 74 -11.864 1.060 2.174 1.00 0.00 C ATOM 1224 O CYS A 74 -11.671 0.754 3.347 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.505 2.633 0.752 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.945 2.207 1.587 1.00 0.00 S ATOM 0 H CYS A 74 -11.019 2.970 3.609 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.615 2.759 1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.646 1.983 -0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.451 3.655 0.377 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.856 0.916 1.708 1.00 0.00 H new ATOM 1232 N ARG A 75 -12.183 0.152 1.247 1.00 0.00 N ATOM 1233 CA ARG A 75 -12.081 -1.278 1.530 1.00 0.00 C ATOM 1234 C ARG A 75 -10.647 -1.741 1.474 1.00 0.00 C ATOM 1235 O ARG A 75 -9.779 -0.913 1.263 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.952 -2.089 0.564 1.00 0.00 C ATOM 1237 CG ARG A 75 -13.966 -2.923 1.368 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.302 -2.244 1.656 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.261 -0.772 1.596 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.323 0.039 1.657 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.442 -0.341 2.251 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -16.255 1.235 1.086 1.00 0.00 N ATOM 0 H ARG A 75 -12.509 0.379 0.308 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.449 -1.445 2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.475 -1.421 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.328 -2.743 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.159 -3.848 0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.508 -3.201 2.318 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.041 -2.604 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.643 -2.546 2.646 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.345 -0.334 1.500 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.506 -1.267 2.673 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.241 0.292 2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.401 1.525 0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.057 1.865 1.124 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.405 -3.030 1.672 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.106 -3.668 1.502 1.00 0.00 C ATOM 1258 C TRP A 76 -9.349 -5.159 1.215 1.00 0.00 C ATOM 1259 O TRP A 76 -9.462 -5.962 2.142 1.00 0.00 O ATOM 1260 CB TRP A 76 -8.221 -3.461 2.750 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.976 -2.663 2.520 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -6.920 -1.328 2.336 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.605 -3.137 2.370 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.621 -0.941 2.111 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.778 -2.020 2.056 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.982 -4.401 2.411 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.417 -2.139 1.757 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.610 -4.538 2.136 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.837 -3.414 1.789 1.00 0.00 C ATOM 0 H TRP A 76 -11.132 -3.682 1.965 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.568 -3.219 0.668 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.814 -2.966 3.519 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.940 -4.438 3.143 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.770 -0.662 2.362 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.322 0.028 1.999 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.566 -5.275 2.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -2.827 -1.269 1.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.146 -5.512 2.191 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.792 -3.535 1.546 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.482 -5.563 -0.051 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.544 -6.987 -0.415 1.00 0.00 C ATOM 1282 C LYS A 77 -8.099 -7.480 -0.517 1.00 0.00 C ATOM 1283 O LYS A 77 -7.357 -6.939 -1.337 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.317 -7.176 -1.742 1.00 0.00 C ATOM 1285 CG LYS A 77 -11.208 -8.430 -1.796 1.00 0.00 C ATOM 1286 CD LYS A 77 -12.627 -8.207 -1.286 1.00 0.00 C ATOM 1287 CE LYS A 77 -13.332 -9.536 -0.971 1.00 0.00 C ATOM 1288 NZ LYS A 77 -14.091 -10.074 -2.113 1.00 0.00 N ATOM 0 H LYS A 77 -9.549 -4.926 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.083 -7.567 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.939 -6.297 -1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.599 -7.222 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.255 -8.785 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.742 -9.220 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.599 -7.588 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.201 -7.659 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.588 -10.269 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.009 -9.390 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.543 -10.970 -1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.821 -9.390 -2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.445 -10.242 -2.911 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.662 -8.448 0.290 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.396 -9.145 0.063 1.00 0.00 C ATOM 1304 C VAL A 78 -6.777 -10.300 -0.847 1.00 0.00 C ATOM 1305 O VAL A 78 -7.304 -11.327 -0.405 1.00 0.00 O ATOM 1306 CB VAL A 78 -5.704 -9.612 1.362 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.261 -10.045 1.100 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -5.661 -8.485 2.413 1.00 0.00 C ATOM 0 H VAL A 78 -8.172 -8.769 1.113 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.648 -8.489 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.290 -10.453 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.803 -10.368 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.252 -10.870 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.698 -9.206 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.168 -8.847 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.108 -7.635 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.677 -8.175 2.655 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.617 -10.085 -2.149 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.928 -11.127 -3.109 1.00 0.00 C ATOM 1320 C LEU A 79 -5.896 -12.237 -3.027 1.00 0.00 C ATOM 1321 O LEU A 79 -6.262 -13.372 -3.307 1.00 0.00 O ATOM 1322 CB LEU A 79 -7.008 -10.574 -4.534 1.00 0.00 C ATOM 1323 CG LEU A 79 -8.131 -9.552 -4.750 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -8.284 -9.305 -6.247 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.478 -10.026 -4.218 1.00 0.00 C ATOM 0 H LEU A 79 -6.279 -9.212 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.908 -11.533 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.055 -10.108 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.149 -11.404 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.852 -8.650 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.080 -8.580 -6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.348 -8.918 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.534 -10.241 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.231 -9.260 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.766 -10.946 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.401 -10.211 -3.147 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.657 -11.915 -2.643 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.575 -12.861 -2.430 1.00 0.00 C ATOM 1339 C GLU A 80 -2.652 -12.323 -1.337 1.00 0.00 C ATOM 1340 O GLU A 80 -2.506 -11.100 -1.263 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.770 -12.994 -3.733 1.00 0.00 C ATOM 1342 CG GLU A 80 -3.440 -13.819 -4.834 1.00 0.00 C ATOM 1343 CD GLU A 80 -3.558 -15.307 -4.503 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -2.875 -15.783 -3.570 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -4.155 -16.048 -5.314 1.00 0.00 O ATOM 0 H GLU A 80 -4.377 -10.950 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.979 -13.829 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.570 -11.995 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.805 -13.445 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.436 -13.418 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.872 -13.705 -5.757 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.008 -13.189 -0.526 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.321 -12.815 0.705 1.00 0.00 C ATOM 1354 C PRO A 81 -0.216 -11.816 0.390 1.00 0.00 C ATOM 1355 O PRO A 81 0.812 -12.164 -0.194 1.00 0.00 O ATOM 1356 CB PRO A 81 -0.792 -14.114 1.330 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.688 -15.063 0.139 1.00 0.00 C ATOM 1358 CD PRO A 81 -1.809 -14.607 -0.791 1.00 0.00 C ATOM 0 HA PRO A 81 -1.983 -12.322 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.175 -13.964 1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.470 -14.498 2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.286 -14.992 -0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.818 -16.102 0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.541 -14.774 -1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.723 -15.170 -0.603 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.454 -10.553 0.735 1.00 0.00 N ATOM 1367 CA VAL A 82 0.454 -9.484 0.392 1.00 0.00 C ATOM 1368 C VAL A 82 1.539 -9.441 1.457 1.00 0.00 C ATOM 1369 O VAL A 82 1.281 -9.735 2.633 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.342 -8.178 0.172 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -0.899 -7.564 1.461 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.461 -7.107 -0.574 1.00 0.00 C ATOM 0 H VAL A 82 -1.278 -10.253 1.256 1.00 0.00 H new ATOM 0 HA VAL A 82 0.967 -9.643 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.182 -8.494 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.444 -6.651 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.572 -8.274 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.077 -7.330 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.151 -6.214 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.355 -6.858 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.752 -7.487 -1.554 1.00 0.00 H new ATOM 1382 N ARG A 83 2.734 -9.024 1.054 1.00 0.00 N ATOM 1383 CA ARG A 83 3.781 -8.601 1.965 1.00 0.00 C ATOM 1384 C ARG A 83 4.256 -7.248 1.490 1.00 0.00 C ATOM 1385 O ARG A 83 4.470 -7.031 0.292 1.00 0.00 O ATOM 1386 CB ARG A 83 4.906 -9.645 2.045 1.00 0.00 C ATOM 1387 CG ARG A 83 4.721 -10.472 3.321 1.00 0.00 C ATOM 1388 CD ARG A 83 5.740 -11.609 3.435 1.00 0.00 C ATOM 1389 NE ARG A 83 5.124 -12.931 3.625 1.00 0.00 N ATOM 1390 CZ ARG A 83 4.297 -13.606 2.823 1.00 0.00 C ATOM 1391 NH1 ARG A 83 4.088 -13.218 1.570 1.00 0.00 N ATOM 1392 NH2 ARG A 83 3.680 -14.671 3.323 1.00 0.00 N ATOM 0 H ARG A 83 3.002 -8.971 0.071 1.00 0.00 H new ATOM 0 HA ARG A 83 3.409 -8.515 2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.883 -10.293 1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.878 -9.152 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.811 -9.819 4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.714 -10.888 3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.353 -11.629 2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.409 -11.405 4.271 1.00 0.00 H new ATOM 0 HE ARG A 83 5.364 -13.401 4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.563 -12.392 1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.453 -13.746 0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.845 -14.949 4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.041 -15.211 2.739 1.00 0.00 H new ATOM 1406 N LYS A 84 4.314 -6.310 2.427 1.00 0.00 N ATOM 1407 CA LYS A 84 4.856 -4.992 2.197 1.00 0.00 C ATOM 1408 C LYS A 84 5.595 -4.578 3.453 1.00 0.00 C ATOM 1409 O LYS A 84 5.180 -4.897 4.569 1.00 0.00 O ATOM 1410 CB LYS A 84 3.747 -4.013 1.752 1.00 0.00 C ATOM 1411 CG LYS A 84 2.911 -3.228 2.787 1.00 0.00 C ATOM 1412 CD LYS A 84 2.194 -3.989 3.905 1.00 0.00 C ATOM 1413 CE LYS A 84 1.100 -3.117 4.544 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.204 -3.211 3.863 1.00 0.00 N ATOM 0 H LYS A 84 3.979 -6.453 3.380 1.00 0.00 H new ATOM 0 HA LYS A 84 5.569 -4.985 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.215 -3.278 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.046 -4.582 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.572 -2.501 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.156 -2.664 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.751 -4.901 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.914 -4.292 4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.977 -3.409 5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.428 -2.077 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.790 -2.391 4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.058 -3.223 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.686 -4.085 4.155 1.00 0.00 H new ATOM 1428 N HIS A 85 6.656 -3.820 3.267 1.00 0.00 N ATOM 1429 CA HIS A 85 7.099 -2.824 4.212 1.00 0.00 C ATOM 1430 C HIS A 85 6.100 -1.679 4.096 1.00 0.00 C ATOM 1431 O HIS A 85 5.816 -1.228 2.978 1.00 0.00 O ATOM 1432 CB HIS A 85 8.515 -2.417 3.809 1.00 0.00 C ATOM 1433 CG HIS A 85 9.506 -3.511 4.129 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.753 -4.646 3.388 1.00 0.00 N ATOM 1435 CD2 HIS A 85 10.292 -3.570 5.242 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.711 -5.345 4.022 1.00 0.00 C ATOM 1437 NE2 HIS A 85 11.078 -4.725 5.153 1.00 0.00 N ATOM 0 H HIS A 85 7.245 -3.883 2.436 1.00 0.00 H new ATOM 0 HA HIS A 85 7.136 -3.164 5.247 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.544 -2.197 2.742 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.797 -1.503 4.331 1.00 0.00 H new ATOM 0 HD2 HIS A 85 10.306 -2.853 6.049 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.127 -6.277 3.669 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.789 -5.034 5.817 1.00 0.00 H new ATOM 1445 N TYR A 86 5.538 -1.245 5.221 1.00 0.00 N ATOM 1446 CA TYR A 86 4.787 0.001 5.318 1.00 0.00 C ATOM 1447 C TYR A 86 5.581 0.929 6.221 1.00 0.00 C ATOM 1448 O TYR A 86 6.458 0.477 6.953 1.00 0.00 O ATOM 1449 CB TYR A 86 3.363 -0.207 5.868 1.00 0.00 C ATOM 1450 CG TYR A 86 3.285 -0.534 7.350 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.712 -1.792 7.817 1.00 0.00 C ATOM 1452 CD2 TYR A 86 2.840 0.441 8.270 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.745 -2.058 9.195 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.872 0.177 9.652 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.353 -1.067 10.118 1.00 0.00 C ATOM 1456 OH TYR A 86 3.482 -1.308 11.450 1.00 0.00 O ATOM 0 H TYR A 86 5.593 -1.756 6.102 1.00 0.00 H new ATOM 0 HA TYR A 86 4.659 0.427 4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.782 0.696 5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.888 -1.013 5.309 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.015 -2.554 7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.474 1.392 7.912 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.072 -3.025 9.549 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.530 0.923 10.354 1.00 0.00 H new ATOM 0 HH TYR A 86 3.170 -0.528 11.955 1.00 0.00 H new ATOM 1466 N ASN A 87 5.268 2.217 6.203 1.00 0.00 N ATOM 1467 CA ASN A 87 5.738 3.133 7.221 1.00 0.00 C ATOM 1468 C ASN A 87 4.747 4.279 7.325 1.00 0.00 C ATOM 1469 O ASN A 87 4.100 4.625 6.333 1.00 0.00 O ATOM 1470 CB ASN A 87 7.141 3.637 6.864 1.00 0.00 C ATOM 1471 CG ASN A 87 7.850 4.255 8.053 1.00 0.00 C ATOM 1472 OD1 ASN A 87 7.323 4.303 9.159 1.00 0.00 O ATOM 1473 ND2 ASN A 87 9.067 4.719 7.835 1.00 0.00 N ATOM 0 H ASN A 87 4.685 2.650 5.486 1.00 0.00 H new ATOM 0 HA ASN A 87 5.807 2.631 8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.736 2.808 6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.067 4.374 6.064 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.599 5.134 8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.475 4.663 6.902 1.00 0.00 H new ATOM 1480 N LEU A 88 4.632 4.865 8.510 1.00 0.00 N ATOM 1481 CA LEU A 88 3.775 6.007 8.788 1.00 0.00 C ATOM 1482 C LEU A 88 4.645 7.257 8.826 1.00 0.00 C ATOM 1483 O LEU A 88 5.867 7.164 8.989 1.00 0.00 O ATOM 1484 CB LEU A 88 3.052 5.806 10.134 1.00 0.00 C ATOM 1485 CG LEU A 88 2.068 4.619 10.153 1.00 0.00 C ATOM 1486 CD1 LEU A 88 1.558 4.380 11.579 1.00 0.00 C ATOM 1487 CD2 LEU A 88 0.870 4.858 9.229 1.00 0.00 C ATOM 0 H LEU A 88 5.150 4.547 9.329 1.00 0.00 H new ATOM 0 HA LEU A 88 3.017 6.111 8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.797 5.658 10.915 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.508 6.718 10.381 1.00 0.00 H new ATOM 0 HG LEU A 88 2.610 3.744 9.795 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.864 3.540 11.581 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.400 4.157 12.234 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.047 5.274 11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.201 3.999 9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.335 5.751 9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.221 4.995 8.206 1.00 0.00 H new ATOM 1499 N PHE A 89 4.026 8.425 8.688 1.00 0.00 N ATOM 1500 CA PHE A 89 4.586 9.695 9.104 1.00 0.00 C ATOM 1501 C PHE A 89 3.400 10.589 9.421 1.00 0.00 C ATOM 1502 O PHE A 89 2.959 10.525 10.585 1.00 0.00 O ATOM 1503 CB PHE A 89 5.606 10.263 8.093 1.00 0.00 C ATOM 1504 CG PHE A 89 5.165 10.439 6.652 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.009 9.311 5.830 1.00 0.00 C ATOM 1506 CD2 PHE A 89 4.970 11.724 6.107 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.653 9.463 4.484 1.00 0.00 C ATOM 1508 CE2 PHE A 89 4.619 11.876 4.753 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.462 10.743 3.936 1.00 0.00 C ATOM 0 H PHE A 89 3.098 8.511 8.273 1.00 0.00 H new ATOM 0 HA PHE A 89 5.204 9.598 9.997 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.935 11.235 8.462 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.478 9.609 8.097 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.164 8.323 6.237 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.091 12.597 6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.524 8.589 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.470 12.863 4.341 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.197 10.855 2.895 1.00 0.00 H new TER 1519 PHE A 89