USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 513 hydrogens (6 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 51 TPO H2 : A 51 TPO N : A 50 LEU C :(H bumps) USER MOD NoAdj-H: A 51 TPO H : A 51 TPO N : A 51 TPO O3P :(H bumps) USER MOD Set 1.1: A 16 HIS : no HD1:sc= -0.63 X(o=-0.63,f=-0.21) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 153:sc= 0.785 (180deg=0.368) USER MOD Single : A 2 SER OG : rot -151:sc= 0.553 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 137:sc= -0.38 (180deg=-0.827) USER MOD Single : A 7 THR OG1 : rot 156:sc= 0.204 USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.811 USER MOD Single : A 9 MET CE :methyl -161:sc= -0.0776 (180deg=-1) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 65:sc= 0.844 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 75:sc= -1.13 USER MOD Single : A 27 SER OG : rot 150:sc= -0.0389 USER MOD Single : A 30 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.06! C(o=-3.1!,f=-4!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc=-0.00452 USER MOD Single : A 64 MET CE :methyl -162:sc= -0.0865 (180deg=-0.525) USER MOD Single : A 70 THR OG1 : rot 81:sc= 0.845 USER MOD Single : A 71 GLN : amide:sc= -0.0651 K(o=-0.065,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.109 11.195 4.154 1.00100.00 N ATOM 2 CA GLY A 1 -20.864 10.428 3.948 1.00100.00 C ATOM 3 C GLY A 1 -19.931 11.247 3.124 1.00100.00 C ATOM 4 O GLY A 1 -20.057 11.272 1.899 1.00100.00 O ATOM 0 H1 GLY A 1 -22.901 10.538 4.301 1.00100.00 H new ATOM 0 H2 GLY A 1 -22.006 11.806 4.990 1.00100.00 H new ATOM 0 H3 GLY A 1 -22.297 11.783 3.317 1.00100.00 H new ATOM 0 HA2 GLY A 1 -20.407 10.184 4.907 1.00100.00 H new ATOM 0 HA3 GLY A 1 -21.080 9.484 3.449 1.00100.00 H new ATOM 10 N SER A 2 -18.827 11.693 3.774 1.00100.00 N ATOM 11 CA SER A 2 -17.791 12.515 3.189 1.00100.00 C ATOM 12 C SER A 2 -18.366 13.767 2.560 1.00100.00 C ATOM 13 O SER A 2 -18.107 14.068 1.394 1.00100.00 O ATOM 14 CB SER A 2 -16.874 11.732 2.202 1.00100.00 C ATOM 15 OG SER A 2 -15.753 12.518 1.864 1.00100.00 O ATOM 0 H SER A 2 -18.647 11.471 4.753 1.00100.00 H new ATOM 0 HA SER A 2 -17.144 12.826 4.010 1.00100.00 H new ATOM 0 HB2 SER A 2 -16.549 10.797 2.658 1.00100.00 H new ATOM 0 HB3 SER A 2 -17.432 11.472 1.302 1.00100.00 H new ATOM 0 HG SER A 2 -15.439 12.273 0.969 1.00100.00 H new ATOM 21 N THR A 3 -19.188 14.514 3.352 1.00100.00 N ATOM 22 CA THR A 3 -19.889 15.742 3.005 1.00100.00 C ATOM 23 C THR A 3 -21.055 15.438 2.095 1.00100.00 C ATOM 24 O THR A 3 -22.191 15.788 2.417 1.00100.00 O ATOM 25 CB THR A 3 -18.995 16.843 2.438 1.00100.00 C ATOM 26 OG1 THR A 3 -17.959 17.121 3.353 1.00100.00 O ATOM 27 CG2 THR A 3 -19.804 18.116 2.192 1.00100.00 C ATOM 0 H THR A 3 -19.378 14.236 4.315 1.00100.00 H new ATOM 0 HA THR A 3 -20.264 16.154 3.942 1.00100.00 H new ATOM 0 HB THR A 3 -18.576 16.502 1.491 1.00100.00 H new ATOM 0 HG1 THR A 3 -17.383 17.826 2.991 1.00100.00 H new ATOM 0 HG21 THR A 3 -19.151 18.890 1.788 1.00100.00 H new ATOM 0 HG22 THR A 3 -20.603 17.908 1.480 1.00100.00 H new ATOM 0 HG23 THR A 3 -20.236 18.460 3.132 1.00100.00 H new ATOM 35 N ALA A 4 -20.801 14.743 0.964 1.00100.00 N ATOM 36 CA ALA A 4 -21.792 14.350 0.000 1.00100.00 C ATOM 37 C ALA A 4 -22.631 13.249 0.579 1.00100.00 C ATOM 38 O ALA A 4 -22.328 12.693 1.636 1.00100.00 O ATOM 39 CB ALA A 4 -21.181 13.827 -1.313 1.00100.00 C ATOM 0 H ALA A 4 -19.860 14.441 0.710 1.00100.00 H new ATOM 0 HA ALA A 4 -22.379 15.240 -0.227 1.00100.00 H new ATOM 0 HB1 ALA A 4 -21.980 13.546 -2.000 1.00100.00 H new ATOM 0 HB2 ALA A 4 -20.570 14.608 -1.766 1.00100.00 H new ATOM 0 HB3 ALA A 4 -20.560 12.956 -1.104 1.00100.00 H new ATOM 45 N MET A 5 -23.763 12.944 -0.085 1.00100.00 N ATOM 46 CA MET A 5 -24.649 11.910 0.367 1.00100.00 C ATOM 47 C MET A 5 -24.116 10.610 -0.177 1.00100.00 C ATOM 48 O MET A 5 -24.328 10.334 -1.357 1.00100.00 O ATOM 49 CB MET A 5 -26.093 12.098 -0.147 1.00100.00 C ATOM 50 CG MET A 5 -26.747 13.346 0.451 1.00100.00 C ATOM 51 SD MET A 5 -25.986 14.931 0.010 1.00100.00 S ATOM 52 CE MET A 5 -26.114 14.840 -1.795 1.00100.00 C ATOM 0 H MET A 5 -24.066 13.415 -0.938 1.00100.00 H new ATOM 0 HA MET A 5 -24.688 11.932 1.456 1.00100.00 H new ATOM 0 HB2 MET A 5 -26.085 12.176 -1.234 1.00100.00 H new ATOM 0 HB3 MET A 5 -26.687 11.219 0.105 1.00100.00 H new ATOM 0 HG2 MET A 5 -27.792 13.368 0.141 1.00100.00 H new ATOM 0 HG3 MET A 5 -26.739 13.251 1.537 1.00100.00 H new ATOM 0 HE1 MET A 5 -26.439 15.804 -2.186 1.00100.00 H new ATOM 0 HE2 MET A 5 -25.141 14.586 -2.216 1.00100.00 H new ATOM 0 HE3 MET A 5 -26.839 14.074 -2.070 1.00100.00 H new ATOM 62 N ALA A 6 -23.013 10.144 0.471 1.00100.00 N ATOM 63 CA ALA A 6 -22.284 8.925 0.203 1.00100.00 C ATOM 64 C ALA A 6 -21.876 8.755 -1.245 1.00100.00 C ATOM 65 O ALA A 6 -21.937 7.662 -1.813 1.00100.00 O ATOM 66 CB ALA A 6 -23.020 7.671 0.731 1.00100.00 C ATOM 0 H ALA A 6 -22.601 10.665 1.245 1.00100.00 H new ATOM 0 HA ALA A 6 -21.356 9.029 0.764 1.00100.00 H new ATOM 0 HB1 ALA A 6 -22.432 6.782 0.505 1.00100.00 H new ATOM 0 HB2 ALA A 6 -23.152 7.754 1.810 1.00100.00 H new ATOM 0 HB3 ALA A 6 -23.995 7.592 0.251 1.00100.00 H new ATOM 72 N THR A 7 -21.452 9.887 -1.859 1.00100.00 N ATOM 73 CA THR A 7 -21.000 10.029 -3.226 1.00100.00 C ATOM 74 C THR A 7 -21.943 9.512 -4.294 1.00100.00 C ATOM 75 O THR A 7 -21.525 8.992 -5.330 1.00100.00 O ATOM 76 CB THR A 7 -19.571 9.571 -3.450 1.00100.00 C ATOM 77 OG1 THR A 7 -19.418 8.207 -3.121 1.00100.00 O ATOM 78 CG2 THR A 7 -18.688 10.437 -2.550 1.00100.00 C ATOM 0 H THR A 7 -21.423 10.776 -1.359 1.00100.00 H new ATOM 0 HA THR A 7 -21.011 11.111 -3.361 1.00100.00 H new ATOM 0 HB THR A 7 -19.294 9.677 -4.499 1.00100.00 H new ATOM 0 HG1 THR A 7 -18.656 7.835 -3.613 1.00100.00 H new ATOM 0 HG21 THR A 7 -17.645 10.146 -2.675 1.00100.00 H new ATOM 0 HG22 THR A 7 -18.807 11.485 -2.824 1.00100.00 H new ATOM 0 HG23 THR A 7 -18.982 10.298 -1.510 1.00100.00 H new ATOM 86 N THR A 8 -23.261 9.692 -4.060 1.00100.00 N ATOM 87 CA THR A 8 -24.322 9.290 -4.951 1.00100.00 C ATOM 88 C THR A 8 -24.305 10.076 -6.246 1.00100.00 C ATOM 89 O THR A 8 -24.487 9.497 -7.318 1.00100.00 O ATOM 90 CB THR A 8 -25.686 9.402 -4.283 1.00100.00 C ATOM 91 OG1 THR A 8 -25.707 8.582 -3.136 1.00100.00 O ATOM 92 CG2 THR A 8 -26.795 8.953 -5.233 1.00100.00 C ATOM 0 H THR A 8 -23.606 10.139 -3.210 1.00100.00 H new ATOM 0 HA THR A 8 -24.143 8.242 -5.193 1.00100.00 H new ATOM 0 HB THR A 8 -25.856 10.444 -4.012 1.00100.00 H new ATOM 0 HG1 THR A 8 -25.257 9.042 -2.397 1.00100.00 H new ATOM 0 HG21 THR A 8 -27.760 9.042 -4.734 1.00100.00 H new ATOM 0 HG22 THR A 8 -26.788 9.582 -6.123 1.00100.00 H new ATOM 0 HG23 THR A 8 -26.630 7.915 -5.521 1.00100.00 H new ATOM 100 N MET A 9 -24.008 11.397 -6.163 1.00100.00 N ATOM 101 CA MET A 9 -24.028 12.316 -7.278 1.00100.00 C ATOM 102 C MET A 9 -23.101 11.940 -8.411 1.00100.00 C ATOM 103 O MET A 9 -23.561 11.895 -9.553 1.00100.00 O ATOM 104 CB MET A 9 -23.727 13.749 -6.781 1.00100.00 C ATOM 105 CG MET A 9 -23.932 14.792 -7.877 1.00100.00 C ATOM 106 SD MET A 9 -25.656 15.074 -8.353 1.00100.00 S ATOM 107 CE MET A 9 -25.691 14.157 -9.913 1.00100.00 C ATOM 0 H MET A 9 -23.743 11.843 -5.285 1.00100.00 H new ATOM 0 HA MET A 9 -25.033 12.265 -7.698 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.373 13.982 -5.934 1.00100.00 H new ATOM 0 HB3 MET A 9 -22.699 13.799 -6.421 1.00100.00 H new ATOM 0 HG2 MET A 9 -23.504 15.737 -7.543 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.373 14.483 -8.760 1.00100.00 H new ATOM 0 HE1 MET A 9 -26.542 14.486 -10.509 1.00100.00 H new ATOM 0 HE2 MET A 9 -24.769 14.341 -10.464 1.00100.00 H new ATOM 0 HE3 MET A 9 -25.783 13.091 -9.706 1.00100.00 H new ATOM 117 N GLU A 10 -21.841 11.533 -8.112 1.00100.00 N ATOM 118 CA GLU A 10 -20.857 11.102 -9.091 1.00100.00 C ATOM 119 C GLU A 10 -20.560 12.085 -10.213 1.00100.00 C ATOM 120 O GLU A 10 -20.320 11.676 -11.355 1.00100.00 O ATOM 121 CB GLU A 10 -21.219 9.723 -9.725 1.00100.00 C ATOM 122 CG GLU A 10 -21.327 8.656 -8.638 1.00100.00 C ATOM 123 CD GLU A 10 -21.602 7.283 -9.237 1.00100.00 C ATOM 124 OE1 GLU A 10 -22.447 7.217 -10.155 1.00100.00 O ATOM 125 OE2 GLU A 10 -20.960 6.320 -8.762 1.00100.00 O ATOM 0 H GLU A 10 -21.490 11.501 -7.155 1.00100.00 H new ATOM 0 HA GLU A 10 -19.949 11.027 -8.493 1.00100.00 H new ATOM 0 HB2 GLU A 10 -22.163 9.799 -10.265 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.458 9.437 -10.451 1.00100.00 H new ATOM 0 HG2 GLU A 10 -20.402 8.625 -8.062 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.126 8.919 -7.945 1.00100.00 H new ATOM 132 N GLN A 11 -20.527 13.408 -9.923 1.00100.00 N ATOM 133 CA GLN A 11 -20.237 14.363 -10.972 1.00100.00 C ATOM 134 C GLN A 11 -18.873 14.994 -10.801 1.00100.00 C ATOM 135 O GLN A 11 -18.589 16.038 -11.392 1.00100.00 O ATOM 136 CB GLN A 11 -21.312 15.463 -11.204 1.00100.00 C ATOM 137 CG GLN A 11 -21.500 16.354 -9.984 1.00100.00 C ATOM 138 CD GLN A 11 -22.582 17.403 -10.210 1.00100.00 C ATOM 139 OE1 GLN A 11 -23.049 17.597 -11.331 1.00100.00 O ATOM 140 NE2 GLN A 11 -22.978 18.086 -9.133 1.00100.00 N ATOM 0 H GLN A 11 -20.694 13.809 -9.000 1.00100.00 H new ATOM 0 HA GLN A 11 -20.251 13.753 -11.875 1.00100.00 H new ATOM 0 HB2 GLN A 11 -21.023 16.076 -12.058 1.00100.00 H new ATOM 0 HB3 GLN A 11 -22.262 14.992 -11.457 1.00100.00 H new ATOM 0 HG2 GLN A 11 -21.763 15.740 -9.123 1.00100.00 H new ATOM 0 HG3 GLN A 11 -20.558 16.849 -9.747 1.00100.00 H new ATOM 0 HE21 GLN A 11 -22.561 17.890 -8.223 1.00100.00 H new ATOM 0 HE22 GLN A 11 -23.697 18.804 -9.220 1.00100.00 H new ATOM 149 N GLU A 12 -17.976 14.330 -10.028 1.00100.00 N ATOM 150 CA GLU A 12 -16.634 14.777 -9.728 1.00100.00 C ATOM 151 C GLU A 12 -16.563 16.148 -9.100 1.00100.00 C ATOM 152 O GLU A 12 -15.941 17.075 -9.627 1.00100.00 O ATOM 153 CB GLU A 12 -15.638 14.638 -10.909 1.00100.00 C ATOM 154 CG GLU A 12 -15.498 13.174 -11.326 1.00100.00 C ATOM 155 CD GLU A 12 -14.464 12.997 -12.432 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.662 13.936 -12.631 1.00100.00 O ATOM 157 OE2 GLU A 12 -14.492 11.917 -13.059 1.00100.00 O ATOM 0 H GLU A 12 -18.198 13.436 -9.590 1.00100.00 H new ATOM 0 HA GLU A 12 -16.304 14.073 -8.964 1.00100.00 H new ATOM 0 HB2 GLU A 12 -15.984 15.231 -11.755 1.00100.00 H new ATOM 0 HB3 GLU A 12 -14.665 15.034 -10.619 1.00100.00 H new ATOM 0 HG2 GLU A 12 -15.211 12.576 -10.461 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.463 12.799 -11.667 1.00100.00 H new ATOM 164 N ILE A 13 -17.262 16.298 -7.949 1.00100.00 N ATOM 165 CA ILE A 13 -17.270 17.549 -7.230 1.00100.00 C ATOM 166 C ILE A 13 -16.422 17.460 -5.989 1.00100.00 C ATOM 167 O ILE A 13 -16.554 16.549 -5.169 1.00100.00 O ATOM 168 CB ILE A 13 -18.641 18.112 -6.875 1.00100.00 C ATOM 169 CG1 ILE A 13 -19.529 17.169 -6.049 1.00100.00 C ATOM 170 CG2 ILE A 13 -19.309 18.540 -8.177 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.853 15.832 -6.716 1.00100.00 C ATOM 0 H ILE A 13 -17.818 15.559 -7.518 1.00100.00 H new ATOM 0 HA ILE A 13 -16.848 18.258 -7.942 1.00100.00 H new ATOM 0 HB ILE A 13 -18.500 18.963 -6.209 1.00100.00 H new ATOM 0 HG12 ILE A 13 -19.036 16.972 -5.097 1.00100.00 H new ATOM 0 HG13 ILE A 13 -20.465 17.681 -5.824 1.00100.00 H new ATOM 0 HG21 ILE A 13 -20.296 18.950 -7.962 1.00100.00 H new ATOM 0 HG22 ILE A 13 -18.699 19.300 -8.666 1.00100.00 H new ATOM 0 HG23 ILE A 13 -19.410 17.677 -8.835 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.484 15.239 -6.054 1.00100.00 H new ATOM 0 HD12 ILE A 13 -20.378 16.011 -7.654 1.00100.00 H new ATOM 0 HD13 ILE A 13 -18.928 15.292 -6.916 1.00100.00 H new ATOM 183 N CYS A 14 -15.461 18.403 -5.899 1.00100.00 N ATOM 184 CA CYS A 14 -14.536 18.537 -4.802 1.00100.00 C ATOM 185 C CYS A 14 -13.922 19.906 -4.895 1.00100.00 C ATOM 186 O CYS A 14 -14.067 20.616 -5.894 1.00100.00 O ATOM 187 CB CYS A 14 -13.369 17.520 -4.813 1.00100.00 C ATOM 188 SG CYS A 14 -12.364 17.579 -3.307 1.00100.00 S ATOM 0 H CYS A 14 -15.320 19.107 -6.624 1.00100.00 H new ATOM 0 HA CYS A 14 -15.107 18.361 -3.891 1.00100.00 H new ATOM 0 HB2 CYS A 14 -13.772 16.515 -4.935 1.00100.00 H new ATOM 0 HB3 CYS A 14 -12.732 17.715 -5.676 1.00100.00 H new ATOM 193 N ALA A 15 -13.199 20.291 -3.822 1.00100.00 N ATOM 194 CA ALA A 15 -12.498 21.536 -3.688 1.00100.00 C ATOM 195 C ALA A 15 -11.437 21.639 -4.757 1.00100.00 C ATOM 196 O ALA A 15 -11.233 22.721 -5.307 1.00100.00 O ATOM 197 CB ALA A 15 -11.827 21.660 -2.315 1.00100.00 C ATOM 0 H ALA A 15 -13.099 19.697 -2.999 1.00100.00 H new ATOM 0 HA ALA A 15 -13.227 22.339 -3.793 1.00100.00 H new ATOM 0 HB1 ALA A 15 -11.306 22.615 -2.250 1.00100.00 H new ATOM 0 HB2 ALA A 15 -12.585 21.606 -1.533 1.00100.00 H new ATOM 0 HB3 ALA A 15 -11.113 20.847 -2.184 1.00100.00 H new ATOM 203 N HIS A 16 -10.739 20.514 -5.069 1.00100.00 N ATOM 204 CA HIS A 16 -9.722 20.525 -6.081 1.00100.00 C ATOM 205 C HIS A 16 -10.367 20.143 -7.394 1.00100.00 C ATOM 206 O HIS A 16 -10.583 21.030 -8.220 1.00100.00 O ATOM 207 CB HIS A 16 -8.560 19.566 -5.741 1.00100.00 C ATOM 208 CG HIS A 16 -7.366 19.672 -6.644 1.00100.00 C ATOM 209 ND1 HIS A 16 -6.400 20.652 -6.604 1.00100.00 N ATOM 210 CD2 HIS A 16 -7.003 18.765 -7.602 1.00100.00 C ATOM 211 CE1 HIS A 16 -5.476 20.334 -7.528 1.00100.00 C ATOM 212 NE2 HIS A 16 -5.798 19.194 -8.163 1.00100.00 N ATOM 0 H HIS A 16 -10.882 19.609 -4.621 1.00100.00 H new ATOM 0 HA HIS A 16 -9.288 21.523 -6.146 1.00100.00 H new ATOM 0 HB2 HIS A 16 -8.240 19.756 -4.716 1.00100.00 H new ATOM 0 HB3 HIS A 16 -8.932 18.542 -5.774 1.00100.00 H new ATOM 0 HD2 HIS A 16 -7.551 17.875 -7.876 1.00100.00 H new ATOM 0 HE1 HIS A 16 -4.591 20.918 -7.733 1.00100.00 H new ATOM 0 HE2 HIS A 16 -5.269 18.735 -8.905 1.00100.00 H new ATOM 220 N SER A 17 -10.710 18.838 -7.612 1.00100.00 N ATOM 221 CA SER A 17 -11.313 18.437 -8.862 1.00100.00 C ATOM 222 C SER A 17 -12.128 17.174 -8.820 1.00100.00 C ATOM 223 O SER A 17 -13.193 17.111 -9.435 1.00100.00 O ATOM 224 CB SER A 17 -10.270 18.253 -10.000 1.00100.00 C ATOM 225 OG SER A 17 -9.367 17.219 -9.670 1.00100.00 O ATOM 0 H SER A 17 -10.572 18.084 -6.939 1.00100.00 H new ATOM 0 HA SER A 17 -11.984 19.273 -9.060 1.00100.00 H new ATOM 0 HB2 SER A 17 -10.778 18.017 -10.935 1.00100.00 H new ATOM 0 HB3 SER A 17 -9.726 19.184 -10.159 1.00100.00 H new ATOM 0 HG SER A 17 -8.715 17.110 -10.394 1.00100.00 H new ATOM 231 N MET A 18 -11.652 16.155 -8.069 1.00100.00 N ATOM 232 CA MET A 18 -12.255 14.843 -7.986 1.00100.00 C ATOM 233 C MET A 18 -13.454 14.716 -7.085 1.00100.00 C ATOM 234 O MET A 18 -14.231 15.663 -7.022 1.00100.00 O ATOM 235 CB MET A 18 -11.195 13.762 -7.673 1.00100.00 C ATOM 236 CG MET A 18 -10.069 13.808 -8.701 1.00100.00 C ATOM 237 SD MET A 18 -10.628 13.537 -10.402 1.00100.00 S ATOM 238 CE MET A 18 -9.059 13.831 -11.254 1.00100.00 C ATOM 0 H MET A 18 -10.814 16.245 -7.495 1.00100.00 H new ATOM 0 HA MET A 18 -12.665 14.677 -8.982 1.00100.00 H new ATOM 0 HB2 MET A 18 -10.790 13.919 -6.673 1.00100.00 H new ATOM 0 HB3 MET A 18 -11.660 12.776 -7.677 1.00100.00 H new ATOM 0 HG2 MET A 18 -9.573 14.777 -8.641 1.00100.00 H new ATOM 0 HG3 MET A 18 -9.326 13.052 -8.447 1.00100.00 H new ATOM 0 HE1 MET A 18 -9.200 13.709 -12.328 1.00100.00 H new ATOM 0 HE2 MET A 18 -8.716 14.844 -11.046 1.00100.00 H new ATOM 0 HE3 MET A 18 -8.315 13.117 -10.902 1.00100.00 H new ATOM 248 N THR A 19 -13.945 13.460 -6.939 1.00100.00 N ATOM 249 CA THR A 19 -15.092 13.114 -6.131 1.00100.00 C ATOM 250 C THR A 19 -14.775 13.219 -4.663 1.00100.00 C ATOM 251 O THR A 19 -13.607 13.259 -4.272 1.00100.00 O ATOM 252 CB THR A 19 -15.589 11.698 -6.380 1.00100.00 C ATOM 253 OG1 THR A 19 -14.565 10.777 -6.073 1.00100.00 O ATOM 254 CG2 THR A 19 -16.011 11.527 -7.837 1.00100.00 C ATOM 0 H THR A 19 -13.527 12.653 -7.402 1.00100.00 H new ATOM 0 HA THR A 19 -15.867 13.825 -6.419 1.00100.00 H new ATOM 0 HB THR A 19 -16.453 11.513 -5.742 1.00100.00 H new ATOM 0 HG1 THR A 19 -14.887 9.865 -6.232 1.00100.00 H new ATOM 0 HG21 THR A 19 -16.364 10.508 -7.996 1.00100.00 H new ATOM 0 HG22 THR A 19 -16.812 12.229 -8.068 1.00100.00 H new ATOM 0 HG23 THR A 19 -15.159 11.722 -8.488 1.00100.00 H new ATOM 262 N PHE A 20 -15.831 13.268 -3.809 1.00100.00 N ATOM 263 CA PHE A 20 -15.666 13.334 -2.374 1.00100.00 C ATOM 264 C PHE A 20 -14.974 12.124 -1.801 1.00100.00 C ATOM 265 O PHE A 20 -14.389 12.218 -0.719 1.00100.00 O ATOM 266 CB PHE A 20 -16.939 13.644 -1.569 1.00100.00 C ATOM 267 CG PHE A 20 -17.239 15.124 -1.583 1.00100.00 C ATOM 268 CD1 PHE A 20 -16.454 15.990 -0.811 1.00100.00 C ATOM 269 CD2 PHE A 20 -18.259 15.638 -2.395 1.00100.00 C ATOM 270 CE1 PHE A 20 -16.694 17.370 -0.838 1.00100.00 C ATOM 271 CE2 PHE A 20 -18.508 17.018 -2.413 1.00100.00 C ATOM 272 CZ PHE A 20 -17.724 17.883 -1.637 1.00100.00 C ATOM 0 H PHE A 20 -16.804 13.262 -4.115 1.00100.00 H new ATOM 0 HA PHE A 20 -15.018 14.202 -2.255 1.00100.00 H new ATOM 0 HB2 PHE A 20 -17.782 13.094 -1.988 1.00100.00 H new ATOM 0 HB3 PHE A 20 -16.816 13.304 -0.541 1.00100.00 H new ATOM 0 HD1 PHE A 20 -15.662 15.593 -0.194 1.00100.00 H new ATOM 0 HD2 PHE A 20 -18.852 14.973 -3.005 1.00100.00 H new ATOM 0 HE1 PHE A 20 -16.086 18.037 -0.244 1.00100.00 H new ATOM 0 HE2 PHE A 20 -19.304 17.415 -3.025 1.00100.00 H new ATOM 0 HZ PHE A 20 -17.914 18.946 -1.655 1.00100.00 H new ATOM 282 N GLU A 21 -15.025 10.961 -2.501 1.00100.00 N ATOM 283 CA GLU A 21 -14.338 9.751 -2.094 1.00100.00 C ATOM 284 C GLU A 21 -12.850 10.031 -2.122 1.00100.00 C ATOM 285 O GLU A 21 -12.120 9.653 -1.204 1.00100.00 O ATOM 286 CB GLU A 21 -14.559 8.572 -3.063 1.00100.00 C ATOM 287 CG GLU A 21 -16.037 8.294 -3.319 1.00100.00 C ATOM 288 CD GLU A 21 -16.230 7.002 -4.104 1.00100.00 C ATOM 289 OE1 GLU A 21 -15.402 6.753 -5.006 1.00100.00 O ATOM 290 OE2 GLU A 21 -17.207 6.290 -3.788 1.00100.00 O ATOM 0 H GLU A 21 -15.553 10.857 -3.367 1.00100.00 H new ATOM 0 HA GLU A 21 -14.725 9.481 -1.111 1.00100.00 H new ATOM 0 HB2 GLU A 21 -14.064 8.787 -4.010 1.00100.00 H new ATOM 0 HB3 GLU A 21 -14.090 7.677 -2.654 1.00100.00 H new ATOM 0 HG2 GLU A 21 -16.566 8.227 -2.369 1.00100.00 H new ATOM 0 HG3 GLU A 21 -16.475 9.126 -3.870 1.00100.00 H new ATOM 297 N GLU A 22 -12.397 10.744 -3.184 1.00100.00 N ATOM 298 CA GLU A 22 -11.022 11.112 -3.398 1.00100.00 C ATOM 299 C GLU A 22 -10.715 12.501 -2.883 1.00100.00 C ATOM 300 O GLU A 22 -9.621 13.014 -3.124 1.00100.00 O ATOM 301 CB GLU A 22 -10.617 11.024 -4.891 1.00100.00 C ATOM 302 CG GLU A 22 -10.703 9.584 -5.395 1.00100.00 C ATOM 303 CD GLU A 22 -9.722 8.677 -4.661 1.00100.00 C ATOM 304 OE1 GLU A 22 -8.602 9.154 -4.376 1.00100.00 O ATOM 305 OE2 GLU A 22 -10.110 7.517 -4.402 1.00100.00 O ATOM 0 H GLU A 22 -13.017 11.076 -3.923 1.00100.00 H new ATOM 0 HA GLU A 22 -10.436 10.389 -2.831 1.00100.00 H new ATOM 0 HB2 GLU A 22 -11.270 11.662 -5.487 1.00100.00 H new ATOM 0 HB3 GLU A 22 -9.601 11.398 -5.019 1.00100.00 H new ATOM 0 HG2 GLU A 22 -11.718 9.210 -5.260 1.00100.00 H new ATOM 0 HG3 GLU A 22 -10.494 9.558 -6.464 1.00100.00 H new ATOM 312 N CYS A 23 -11.654 13.134 -2.125 1.00100.00 N ATOM 313 CA CYS A 23 -11.490 14.461 -1.576 1.00100.00 C ATOM 314 C CYS A 23 -10.299 14.544 -0.652 1.00100.00 C ATOM 315 O CYS A 23 -9.590 15.543 -0.780 1.00100.00 O ATOM 316 CB CYS A 23 -12.732 15.024 -0.849 1.00100.00 C ATOM 317 SG CYS A 23 -12.383 16.661 -0.159 1.00100.00 S ATOM 0 H CYS A 23 -12.551 12.708 -1.889 1.00100.00 H new ATOM 0 HA CYS A 23 -11.330 15.085 -2.455 1.00100.00 H new ATOM 0 HB2 CYS A 23 -13.569 15.088 -1.545 1.00100.00 H new ATOM 0 HB3 CYS A 23 -13.032 14.344 -0.051 1.00100.00 H new ATOM 0 HG CYS A 23 -12.159 17.501 -1.126 1.00100.00 H new ATOM 322 N PRO A 24 -10.007 13.568 0.280 1.00100.00 N ATOM 323 CA PRO A 24 -8.830 13.646 1.125 1.00100.00 C ATOM 324 C PRO A 24 -7.562 13.672 0.309 1.00100.00 C ATOM 325 O PRO A 24 -6.633 14.383 0.697 1.00100.00 O ATOM 326 CB PRO A 24 -8.898 12.451 2.067 1.00100.00 C ATOM 327 CG PRO A 24 -10.381 12.073 2.054 1.00100.00 C ATOM 328 CD PRO A 24 -10.831 12.436 0.639 1.00100.00 C ATOM 0 HA PRO A 24 -8.813 14.574 1.696 1.00100.00 H new ATOM 0 HB2 PRO A 24 -8.271 11.630 1.720 1.00100.00 H new ATOM 0 HB3 PRO A 24 -8.558 12.710 3.070 1.00100.00 H new ATOM 0 HG2 PRO A 24 -10.527 11.013 2.262 1.00100.00 H new ATOM 0 HG3 PRO A 24 -10.942 12.625 2.808 1.00100.00 H new ATOM 0 HD2 PRO A 24 -10.686 11.604 -0.050 1.00100.00 H new ATOM 0 HD3 PRO A 24 -11.890 12.691 0.612 1.00100.00 H new ATOM 336 N LYS A 25 -7.519 12.896 -0.808 1.00100.00 N ATOM 337 CA LYS A 25 -6.394 12.828 -1.707 1.00100.00 C ATOM 338 C LYS A 25 -6.176 14.171 -2.354 1.00100.00 C ATOM 339 O LYS A 25 -5.049 14.658 -2.403 1.00100.00 O ATOM 340 CB LYS A 25 -6.607 11.816 -2.853 1.00100.00 C ATOM 341 CG LYS A 25 -5.372 11.740 -3.751 1.00100.00 C ATOM 342 CD LYS A 25 -5.609 10.770 -4.907 1.00100.00 C ATOM 343 CE LYS A 25 -6.667 11.337 -5.851 1.00100.00 C ATOM 344 NZ LYS A 25 -6.907 10.428 -6.982 1.00100.00 N ATOM 0 H LYS A 25 -8.295 12.298 -1.091 1.00100.00 H new ATOM 0 HA LYS A 25 -5.542 12.516 -1.103 1.00100.00 H new ATOM 0 HB2 LYS A 25 -6.821 10.831 -2.438 1.00100.00 H new ATOM 0 HB3 LYS A 25 -7.474 12.108 -3.445 1.00100.00 H new ATOM 0 HG2 LYS A 25 -5.138 12.730 -4.142 1.00100.00 H new ATOM 0 HG3 LYS A 25 -4.510 11.416 -3.167 1.00100.00 H new ATOM 0 HD2 LYS A 25 -4.678 10.601 -5.449 1.00100.00 H new ATOM 0 HD3 LYS A 25 -5.933 9.803 -4.522 1.00100.00 H new ATOM 0 HE2 LYS A 25 -7.597 11.498 -5.306 1.00100.00 H new ATOM 0 HE3 LYS A 25 -6.344 12.309 -6.224 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -7.630 10.836 -7.608 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -6.023 10.295 -7.514 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -7.238 9.509 -6.625 1.00100.00 H new ATOM 358 N CYS A 26 -7.279 14.807 -2.822 1.00100.00 N ATOM 359 CA CYS A 26 -7.271 16.092 -3.473 1.00100.00 C ATOM 360 C CYS A 26 -6.762 17.156 -2.546 1.00100.00 C ATOM 361 O CYS A 26 -5.971 18.013 -2.953 1.00100.00 O ATOM 362 CB CYS A 26 -8.673 16.497 -3.952 1.00100.00 C ATOM 363 SG CYS A 26 -9.145 15.494 -5.381 1.00100.00 S ATOM 0 H CYS A 26 -8.214 14.408 -2.742 1.00100.00 H new ATOM 0 HA CYS A 26 -6.612 16.000 -4.336 1.00100.00 H new ATOM 0 HB2 CYS A 26 -9.395 16.362 -3.147 1.00100.00 H new ATOM 0 HB3 CYS A 26 -8.685 17.554 -4.218 1.00100.00 H new ATOM 0 HG CYS A 26 -9.456 14.295 -4.986 1.00100.00 H new ATOM 369 N SER A 27 -7.209 17.094 -1.268 1.00100.00 N ATOM 370 CA SER A 27 -6.820 18.014 -0.244 1.00100.00 C ATOM 371 C SER A 27 -5.351 17.902 0.019 1.00100.00 C ATOM 372 O SER A 27 -4.671 18.918 0.093 1.00100.00 O ATOM 373 CB SER A 27 -7.565 17.797 1.071 1.00100.00 C ATOM 374 OG SER A 27 -7.248 18.834 1.971 1.00100.00 O ATOM 0 H SER A 27 -7.861 16.379 -0.944 1.00100.00 H new ATOM 0 HA SER A 27 -7.076 19.007 -0.615 1.00100.00 H new ATOM 0 HB2 SER A 27 -8.640 17.773 0.892 1.00100.00 H new ATOM 0 HB3 SER A 27 -7.292 16.833 1.500 1.00100.00 H new ATOM 0 HG SER A 27 -8.009 18.993 2.568 1.00100.00 H new ATOM 380 N ALA A 28 -4.835 16.659 0.118 1.00100.00 N ATOM 381 CA ALA A 28 -3.445 16.387 0.361 1.00100.00 C ATOM 382 C ALA A 28 -2.567 16.870 -0.758 1.00100.00 C ATOM 383 O ALA A 28 -1.493 17.421 -0.513 1.00100.00 O ATOM 384 CB ALA A 28 -3.167 14.884 0.549 1.00100.00 C ATOM 0 H ALA A 28 -5.402 15.816 0.026 1.00100.00 H new ATOM 0 HA ALA A 28 -3.211 16.926 1.279 1.00100.00 H new ATOM 0 HB1 ALA A 28 -2.103 14.731 0.730 1.00100.00 H new ATOM 0 HB2 ALA A 28 -3.737 14.512 1.400 1.00100.00 H new ATOM 0 HB3 ALA A 28 -3.464 14.344 -0.350 1.00100.00 H new ATOM 390 N LEU A 29 -3.037 16.688 -2.014 1.00100.00 N ATOM 391 CA LEU A 29 -2.314 17.052 -3.204 1.00100.00 C ATOM 392 C LEU A 29 -1.994 18.508 -3.312 1.00100.00 C ATOM 393 O LEU A 29 -0.828 18.833 -3.547 1.00100.00 O ATOM 394 CB LEU A 29 -3.095 16.721 -4.497 1.00100.00 C ATOM 395 CG LEU A 29 -2.555 15.476 -5.206 1.00100.00 C ATOM 396 CD1 LEU A 29 -2.481 14.258 -4.286 1.00100.00 C ATOM 397 CD2 LEU A 29 -3.483 15.158 -6.378 1.00100.00 C ATOM 0 H LEU A 29 -3.949 16.274 -2.207 1.00100.00 H new ATOM 0 HA LEU A 29 -1.399 16.467 -3.110 1.00100.00 H new ATOM 0 HB2 LEU A 29 -4.147 16.569 -4.254 1.00100.00 H new ATOM 0 HB3 LEU A 29 -3.045 17.572 -5.176 1.00100.00 H new ATOM 0 HG LEU A 29 -1.539 15.690 -5.538 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.091 13.405 -4.842 1.00100.00 H new ATOM 0 HD12 LEU A 29 -1.821 14.476 -3.446 1.00100.00 H new ATOM 0 HD13 LEU A 29 -3.478 14.023 -3.913 1.00100.00 H new ATOM 0 HD21 LEU A 29 -3.119 14.273 -6.900 1.00100.00 H new ATOM 0 HD22 LEU A 29 -4.490 14.971 -6.004 1.00100.00 H new ATOM 0 HD23 LEU A 29 -3.503 16.003 -7.066 1.00100.00 H new ATOM 409 N GLN A 30 -2.996 19.413 -3.132 1.00100.00 N ATOM 410 CA GLN A 30 -2.727 20.827 -3.276 1.00100.00 C ATOM 411 C GLN A 30 -2.603 21.561 -1.962 1.00100.00 C ATOM 412 O GLN A 30 -1.934 22.593 -1.897 1.00100.00 O ATOM 413 CB GLN A 30 -3.814 21.540 -4.121 1.00100.00 C ATOM 414 CG GLN A 30 -3.538 23.020 -4.386 1.00100.00 C ATOM 415 CD GLN A 30 -4.711 23.648 -5.131 1.00100.00 C ATOM 416 OE1 GLN A 30 -5.713 24.006 -4.515 1.00100.00 O ATOM 417 NE2 GLN A 30 -4.590 23.781 -6.455 1.00100.00 N ATOM 0 H GLN A 30 -3.959 19.176 -2.895 1.00100.00 H new ATOM 0 HA GLN A 30 -1.764 20.865 -3.784 1.00100.00 H new ATOM 0 HB2 GLN A 30 -3.911 21.024 -5.076 1.00100.00 H new ATOM 0 HB3 GLN A 30 -4.773 21.447 -3.610 1.00100.00 H new ATOM 0 HG2 GLN A 30 -3.375 23.542 -3.443 1.00100.00 H new ATOM 0 HG3 GLN A 30 -2.625 23.128 -4.972 1.00100.00 H new ATOM 0 HE21 GLN A 30 -3.739 23.469 -6.923 1.00100.00 H new ATOM 0 HE22 GLN A 30 -5.348 24.194 -6.997 1.00100.00 H new ATOM 426 N TYR A 31 -3.187 21.016 -0.875 1.00100.00 N ATOM 427 CA TYR A 31 -3.213 21.594 0.449 1.00100.00 C ATOM 428 C TYR A 31 -4.141 22.750 0.650 1.00100.00 C ATOM 429 O TYR A 31 -4.974 22.650 1.551 1.00100.00 O ATOM 430 CB TYR A 31 -1.861 21.942 1.118 1.00100.00 C ATOM 431 CG TYR A 31 -0.966 20.737 1.275 1.00100.00 C ATOM 432 CD1 TYR A 31 -1.185 19.844 2.334 1.00100.00 C ATOM 433 CD2 TYR A 31 0.065 20.501 0.356 1.00100.00 C ATOM 434 CE1 TYR A 31 -0.372 18.712 2.479 1.00100.00 C ATOM 435 CE2 TYR A 31 0.883 19.371 0.493 1.00100.00 C ATOM 436 CZ TYR A 31 0.667 18.472 1.557 1.00100.00 C ATOM 437 OH TYR A 31 1.459 17.370 1.693 1.00100.00 O ATOM 0 H TYR A 31 -3.671 20.119 -0.918 1.00100.00 H new ATOM 0 HA TYR A 31 -3.610 20.718 0.962 1.00100.00 H new ATOM 0 HB2 TYR A 31 -1.348 22.696 0.522 1.00100.00 H new ATOM 0 HB3 TYR A 31 -2.047 22.382 2.098 1.00100.00 H new ATOM 0 HD1 TYR A 31 -1.982 20.029 3.039 1.00100.00 H new ATOM 0 HD2 TYR A 31 0.230 21.190 -0.459 1.00100.00 H new ATOM 0 HE1 TYR A 31 -0.541 18.025 3.295 1.00100.00 H new ATOM 0 HE2 TYR A 31 1.678 19.189 -0.216 1.00100.00 H new ATOM 0 HH TYR A 31 2.125 17.355 0.974 1.00100.00 H new ATOM 447 N ARG A 32 -4.046 23.850 -0.150 1.00100.00 N ATOM 448 CA ARG A 32 -4.922 24.990 0.042 1.00100.00 C ATOM 449 C ARG A 32 -6.344 24.611 -0.241 1.00100.00 C ATOM 450 O ARG A 32 -7.158 24.622 0.681 1.00100.00 O ATOM 451 CB ARG A 32 -4.550 26.176 -0.864 1.00100.00 C ATOM 452 CG ARG A 32 -3.198 26.716 -0.413 1.00100.00 C ATOM 453 CD ARG A 32 -2.819 27.958 -1.213 1.00100.00 C ATOM 454 NE ARG A 32 -1.506 28.448 -0.789 1.00100.00 N ATOM 455 CZ ARG A 32 -0.350 27.917 -1.212 1.00100.00 C ATOM 456 NH1 ARG A 32 -0.346 26.930 -2.119 1.00100.00 N ATOM 457 NH2 ARG A 32 0.809 28.374 -0.719 1.00100.00 N ATOM 0 H ARG A 32 -3.377 23.949 -0.914 1.00100.00 H new ATOM 0 HA ARG A 32 -4.804 25.296 1.082 1.00100.00 H new ATOM 0 HB2 ARG A 32 -4.504 25.858 -1.906 1.00100.00 H new ATOM 0 HB3 ARG A 32 -5.310 26.955 -0.802 1.00100.00 H new ATOM 0 HG2 ARG A 32 -3.234 26.958 0.649 1.00100.00 H new ATOM 0 HG3 ARG A 32 -2.434 25.949 -0.539 1.00100.00 H new ATOM 0 HD2 ARG A 32 -2.802 27.723 -2.277 1.00100.00 H new ATOM 0 HD3 ARG A 32 -3.570 28.735 -1.070 1.00100.00 H new ATOM 0 HE ARG A 32 -1.469 29.233 -0.139 1.00100.00 H new ATOM 0 HH11 ARG A 32 -1.227 26.577 -2.493 1.00100.00 H new ATOM 0 HH12 ARG A 32 0.538 26.532 -2.435 1.00100.00 H new ATOM 0 HH21 ARG A 32 0.809 29.122 -0.026 1.00100.00 H new ATOM 0 HH22 ARG A 32 1.692 27.974 -1.037 1.00100.00 H new ATOM 471 N ASN A 33 -6.651 24.211 -1.506 1.00100.00 N ATOM 472 CA ASN A 33 -7.953 23.750 -1.936 1.00100.00 C ATOM 473 C ASN A 33 -9.110 24.628 -1.522 1.00100.00 C ATOM 474 O ASN A 33 -10.134 24.136 -1.041 1.00100.00 O ATOM 475 CB ASN A 33 -8.175 22.272 -1.527 1.00100.00 C ATOM 476 CG ASN A 33 -7.098 21.438 -2.203 1.00100.00 C ATOM 477 OD1 ASN A 33 -7.123 21.267 -3.419 1.00100.00 O ATOM 478 ND2 ASN A 33 -6.127 20.957 -1.424 1.00100.00 N ATOM 0 H ASN A 33 -5.962 24.210 -2.258 1.00100.00 H new ATOM 0 HA ASN A 33 -7.941 23.820 -3.024 1.00100.00 H new ATOM 0 HB2 ASN A 33 -8.120 22.163 -0.444 1.00100.00 H new ATOM 0 HB3 ASN A 33 -9.166 21.936 -1.831 1.00100.00 H new ATOM 0 HD21 ASN A 33 -5.362 20.421 -1.834 1.00100.00 H new ATOM 0 HD22 ASN A 33 -6.150 21.125 -0.418 1.00100.00 H new ATOM 485 N GLY A 34 -8.966 25.964 -1.678 1.00100.00 N ATOM 486 CA GLY A 34 -10.013 26.883 -1.290 1.00100.00 C ATOM 487 C GLY A 34 -10.084 27.070 0.201 1.00100.00 C ATOM 488 O GLY A 34 -11.112 27.497 0.725 1.00100.00 O ATOM 0 H GLY A 34 -8.135 26.408 -2.068 1.00100.00 H new ATOM 0 HA2 GLY A 34 -9.842 27.848 -1.767 1.00100.00 H new ATOM 0 HA3 GLY A 34 -10.972 26.513 -1.654 1.00100.00 H new ATOM 492 N PHE A 35 -8.967 26.748 0.896 1.00100.00 N ATOM 493 CA PHE A 35 -8.780 26.817 2.322 1.00100.00 C ATOM 494 C PHE A 35 -9.814 26.039 3.091 1.00100.00 C ATOM 495 O PHE A 35 -10.324 26.460 4.131 1.00100.00 O ATOM 496 CB PHE A 35 -8.573 28.252 2.852 1.00100.00 C ATOM 497 CG PHE A 35 -7.338 28.895 2.270 1.00100.00 C ATOM 498 CD1 PHE A 35 -6.071 28.526 2.744 1.00100.00 C ATOM 499 CD2 PHE A 35 -7.453 29.830 1.231 1.00100.00 C ATOM 500 CE1 PHE A 35 -4.920 29.092 2.181 1.00100.00 C ATOM 501 CE2 PHE A 35 -6.301 30.398 0.671 1.00100.00 C ATOM 502 CZ PHE A 35 -5.035 30.027 1.144 1.00100.00 C ATOM 0 H PHE A 35 -8.129 26.413 0.420 1.00100.00 H new ATOM 0 HA PHE A 35 -7.833 26.311 2.511 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.446 28.858 2.610 1.00100.00 H new ATOM 0 HB3 PHE A 35 -8.493 28.229 3.939 1.00100.00 H new ATOM 0 HD1 PHE A 35 -5.983 27.805 3.543 1.00100.00 H new ATOM 0 HD2 PHE A 35 -8.428 30.112 0.863 1.00100.00 H new ATOM 0 HE1 PHE A 35 -3.944 28.808 2.546 1.00100.00 H new ATOM 0 HE2 PHE A 35 -6.389 31.122 -0.126 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.147 30.462 0.709 1.00100.00 H new ATOM 512 N TYR A 36 -10.116 24.838 2.548 1.00100.00 N ATOM 513 CA TYR A 36 -11.030 23.853 3.073 1.00100.00 C ATOM 514 C TYR A 36 -10.517 23.419 4.428 1.00100.00 C ATOM 515 O TYR A 36 -11.289 23.352 5.387 1.00100.00 O ATOM 516 CB TYR A 36 -11.030 22.664 2.072 1.00100.00 C ATOM 517 CG TYR A 36 -11.787 21.443 2.537 1.00100.00 C ATOM 518 CD1 TYR A 36 -13.148 21.539 2.854 1.00100.00 C ATOM 519 CD2 TYR A 36 -11.129 20.208 2.621 1.00100.00 C ATOM 520 CE1 TYR A 36 -13.864 20.396 3.235 1.00100.00 C ATOM 521 CE2 TYR A 36 -11.835 19.061 3.009 1.00100.00 C ATOM 522 CZ TYR A 36 -13.210 19.150 3.313 1.00100.00 C ATOM 523 OH TYR A 36 -13.903 18.032 3.678 1.00100.00 O ATOM 0 H TYR A 36 -9.688 24.531 1.674 1.00100.00 H new ATOM 0 HA TYR A 36 -12.043 24.238 3.190 1.00100.00 H new ATOM 0 HB2 TYR A 36 -11.459 23.002 1.129 1.00100.00 H new ATOM 0 HB3 TYR A 36 -9.998 22.378 1.869 1.00100.00 H new ATOM 0 HD1 TYR A 36 -13.647 22.496 2.805 1.00100.00 H new ATOM 0 HD2 TYR A 36 -10.077 20.140 2.386 1.00100.00 H new ATOM 0 HE1 TYR A 36 -14.916 20.470 3.469 1.00100.00 H new ATOM 0 HE2 TYR A 36 -11.327 18.110 3.075 1.00100.00 H new ATOM 0 HH TYR A 36 -13.300 17.259 3.680 1.00100.00 H new ATOM 533 N LEU A 37 -9.190 23.152 4.529 1.00100.00 N ATOM 534 CA LEU A 37 -8.575 22.757 5.768 1.00100.00 C ATOM 535 C LEU A 37 -8.003 24.018 6.328 1.00100.00 C ATOM 536 O LEU A 37 -7.104 24.628 5.747 1.00100.00 O ATOM 537 CB LEU A 37 -7.375 21.792 5.652 1.00100.00 C ATOM 538 CG LEU A 37 -7.755 20.486 4.950 1.00100.00 C ATOM 539 CD1 LEU A 37 -6.523 19.581 4.918 1.00100.00 C ATOM 540 CD2 LEU A 37 -8.885 19.767 5.685 1.00100.00 C ATOM 0 H LEU A 37 -8.542 23.211 3.744 1.00100.00 H new ATOM 0 HA LEU A 37 -9.338 22.243 6.353 1.00100.00 H new ATOM 0 HB2 LEU A 37 -6.570 22.279 5.101 1.00100.00 H new ATOM 0 HB3 LEU A 37 -6.991 21.570 6.648 1.00100.00 H new ATOM 0 HG LEU A 37 -8.100 20.716 3.942 1.00100.00 H new ATOM 0 HD11 LEU A 37 -6.773 18.644 4.421 1.00100.00 H new ATOM 0 HD12 LEU A 37 -5.721 20.078 4.373 1.00100.00 H new ATOM 0 HD13 LEU A 37 -6.196 19.375 5.937 1.00100.00 H new ATOM 0 HD21 LEU A 37 -9.131 18.844 5.160 1.00100.00 H new ATOM 0 HD22 LEU A 37 -8.567 19.534 6.701 1.00100.00 H new ATOM 0 HD23 LEU A 37 -9.764 20.410 5.718 1.00100.00 H new ATOM 552 N LEU A 38 -8.546 24.411 7.496 1.00100.00 N ATOM 553 CA LEU A 38 -8.183 25.590 8.237 1.00100.00 C ATOM 554 C LEU A 38 -6.770 25.541 8.747 1.00100.00 C ATOM 555 O LEU A 38 -6.057 26.544 8.722 1.00100.00 O ATOM 556 CB LEU A 38 -9.092 25.835 9.458 1.00100.00 C ATOM 557 CG LEU A 38 -10.524 26.149 9.014 1.00100.00 C ATOM 558 CD1 LEU A 38 -11.410 26.264 10.253 1.00100.00 C ATOM 559 CD2 LEU A 38 -10.589 27.468 8.241 1.00100.00 C ATOM 0 H LEU A 38 -9.284 23.875 7.953 1.00100.00 H new ATOM 0 HA LEU A 38 -8.298 26.400 7.517 1.00100.00 H new ATOM 0 HB2 LEU A 38 -9.090 24.955 10.101 1.00100.00 H new ATOM 0 HB3 LEU A 38 -8.700 26.662 10.049 1.00100.00 H new ATOM 0 HG LEU A 38 -10.866 25.346 8.361 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.433 26.488 9.949 1.00100.00 H new ATOM 0 HD12 LEU A 38 -11.392 25.322 10.802 1.00100.00 H new ATOM 0 HD13 LEU A 38 -11.038 27.064 10.893 1.00100.00 H new ATOM 0 HD21 LEU A 38 -11.618 27.663 7.940 1.00100.00 H new ATOM 0 HD22 LEU A 38 -10.237 28.280 8.877 1.00100.00 H new ATOM 0 HD23 LEU A 38 -9.958 27.402 7.355 1.00100.00 H new ATOM 571 N LYS A 39 -6.335 24.336 9.183 1.00100.00 N ATOM 572 CA LYS A 39 -5.034 24.100 9.756 1.00100.00 C ATOM 573 C LYS A 39 -3.856 24.391 8.877 1.00100.00 C ATOM 574 O LYS A 39 -2.768 24.620 9.408 1.00100.00 O ATOM 575 CB LYS A 39 -4.868 22.680 10.315 1.00100.00 C ATOM 576 CG LYS A 39 -5.924 22.426 11.391 1.00100.00 C ATOM 577 CD LYS A 39 -5.725 21.040 12.002 1.00100.00 C ATOM 578 CE LYS A 39 -6.776 20.809 13.084 1.00100.00 C ATOM 579 NZ LYS A 39 -6.609 19.490 13.711 1.00100.00 N ATOM 0 H LYS A 39 -6.910 23.495 9.135 1.00100.00 H new ATOM 0 HA LYS A 39 -5.023 24.836 10.560 1.00100.00 H new ATOM 0 HB2 LYS A 39 -4.968 21.949 9.513 1.00100.00 H new ATOM 0 HB3 LYS A 39 -3.870 22.558 10.735 1.00100.00 H new ATOM 0 HG2 LYS A 39 -5.855 23.188 12.167 1.00100.00 H new ATOM 0 HG3 LYS A 39 -6.922 22.502 10.958 1.00100.00 H new ATOM 0 HD2 LYS A 39 -5.807 20.275 11.230 1.00100.00 H new ATOM 0 HD3 LYS A 39 -4.725 20.958 12.427 1.00100.00 H new ATOM 0 HE2 LYS A 39 -6.699 21.588 13.842 1.00100.00 H new ATOM 0 HE3 LYS A 39 -7.773 20.885 12.649 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -7.336 19.359 14.443 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -6.706 18.748 12.989 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -5.666 19.429 14.145 1.00100.00 H new ATOM 593 N TYR A 40 -4.025 24.385 7.533 1.00100.00 N ATOM 594 CA TYR A 40 -2.947 24.669 6.617 1.00100.00 C ATOM 595 C TYR A 40 -2.419 26.080 6.797 1.00100.00 C ATOM 596 O TYR A 40 -1.203 26.284 6.774 1.00100.00 O ATOM 597 CB TYR A 40 -3.359 24.414 5.136 1.00100.00 C ATOM 598 CG TYR A 40 -2.254 24.722 4.153 1.00100.00 C ATOM 599 CD1 TYR A 40 -1.147 23.866 4.058 1.00100.00 C ATOM 600 CD2 TYR A 40 -2.327 25.868 3.351 1.00100.00 C ATOM 601 CE1 TYR A 40 -0.113 24.151 3.157 1.00100.00 C ATOM 602 CE2 TYR A 40 -1.294 26.164 2.450 1.00100.00 C ATOM 603 CZ TYR A 40 -0.183 25.303 2.348 1.00100.00 C ATOM 604 OH TYR A 40 0.823 25.587 1.472 1.00100.00 O ATOM 0 H TYR A 40 -4.915 24.182 7.078 1.00100.00 H new ATOM 0 HA TYR A 40 -2.140 23.976 6.856 1.00100.00 H new ATOM 0 HB2 TYR A 40 -3.658 23.372 5.022 1.00100.00 H new ATOM 0 HB3 TYR A 40 -4.230 25.024 4.897 1.00100.00 H new ATOM 0 HD1 TYR A 40 -1.092 22.985 4.681 1.00100.00 H new ATOM 0 HD2 TYR A 40 -3.181 26.525 3.427 1.00100.00 H new ATOM 0 HE1 TYR A 40 0.737 23.489 3.082 1.00100.00 H new ATOM 0 HE2 TYR A 40 -1.350 27.050 1.835 1.00100.00 H new ATOM 0 HH TYR A 40 0.615 26.416 0.993 1.00100.00 H new ATOM 614 N ASP A 41 -3.323 27.067 7.002 1.00100.00 N ATOM 615 CA ASP A 41 -2.953 28.453 7.157 1.00100.00 C ATOM 616 C ASP A 41 -2.184 28.661 8.439 1.00100.00 C ATOM 617 O ASP A 41 -2.536 28.126 9.493 1.00100.00 O ATOM 618 CB ASP A 41 -4.184 29.385 7.101 1.00100.00 C ATOM 619 CG ASP A 41 -3.776 30.851 7.132 1.00100.00 C ATOM 620 OD1 ASP A 41 -3.288 31.325 6.084 1.00100.00 O ATOM 621 OD2 ASP A 41 -3.961 31.471 8.201 1.00100.00 O ATOM 0 H ASP A 41 -4.328 26.901 7.061 1.00100.00 H new ATOM 0 HA ASP A 41 -2.307 28.714 6.319 1.00100.00 H new ATOM 0 HB2 ASP A 41 -4.753 29.184 6.193 1.00100.00 H new ATOM 0 HB3 ASP A 41 -4.842 29.171 7.943 1.00100.00 H new ATOM 626 N GLU A 42 -1.098 29.464 8.344 1.00100.00 N ATOM 627 CA GLU A 42 -0.214 29.782 9.438 1.00100.00 C ATOM 628 C GLU A 42 -0.906 30.512 10.551 1.00100.00 C ATOM 629 O GLU A 42 -0.687 30.201 11.724 1.00100.00 O ATOM 630 CB GLU A 42 0.981 30.649 9.010 1.00100.00 C ATOM 631 CG GLU A 42 1.812 29.920 7.956 1.00100.00 C ATOM 632 CD GLU A 42 3.013 30.758 7.544 1.00100.00 C ATOM 633 OE1 GLU A 42 2.798 31.715 6.768 1.00100.00 O ATOM 634 OE2 GLU A 42 4.124 30.431 8.014 1.00100.00 O ATOM 0 H GLU A 42 -0.824 29.910 7.469 1.00100.00 H new ATOM 0 HA GLU A 42 0.134 28.809 9.784 1.00100.00 H new ATOM 0 HB2 GLU A 42 0.626 31.599 8.610 1.00100.00 H new ATOM 0 HB3 GLU A 42 1.601 30.880 9.876 1.00100.00 H new ATOM 0 HG2 GLU A 42 2.149 28.962 8.351 1.00100.00 H new ATOM 0 HG3 GLU A 42 1.195 29.706 7.083 1.00100.00 H new ATOM 641 N GLU A 43 -1.780 31.481 10.200 1.00100.00 N ATOM 642 CA GLU A 43 -2.511 32.266 11.162 1.00100.00 C ATOM 643 C GLU A 43 -3.820 31.625 11.536 1.00100.00 C ATOM 644 O GLU A 43 -4.581 32.200 12.315 1.00100.00 O ATOM 645 CB GLU A 43 -2.786 33.707 10.668 1.00100.00 C ATOM 646 CG GLU A 43 -1.474 34.434 10.371 1.00100.00 C ATOM 647 CD GLU A 43 -0.603 34.531 11.617 1.00100.00 C ATOM 648 OE1 GLU A 43 -1.110 35.070 12.624 1.00100.00 O ATOM 649 OE2 GLU A 43 0.552 34.061 11.540 1.00100.00 O ATOM 0 H GLU A 43 -1.984 31.725 9.231 1.00100.00 H new ATOM 0 HA GLU A 43 -1.868 32.313 12.041 1.00100.00 H new ATOM 0 HB2 GLU A 43 -3.403 33.678 9.770 1.00100.00 H new ATOM 0 HB3 GLU A 43 -3.349 34.255 11.424 1.00100.00 H new ATOM 0 HG2 GLU A 43 -0.933 33.906 9.586 1.00100.00 H new ATOM 0 HG3 GLU A 43 -1.687 35.434 9.994 1.00100.00 H new ATOM 656 N TRP A 44 -4.102 30.407 10.993 1.00100.00 N ATOM 657 CA TRP A 44 -5.289 29.611 11.195 1.00100.00 C ATOM 658 C TRP A 44 -6.488 30.168 10.474 1.00100.00 C ATOM 659 O TRP A 44 -7.221 29.385 9.872 1.00100.00 O ATOM 660 CB TRP A 44 -5.619 29.274 12.681 1.00100.00 C ATOM 661 CG TRP A 44 -6.863 28.466 12.856 1.00100.00 C ATOM 662 CD1 TRP A 44 -6.935 27.117 12.847 1.00100.00 C ATOM 663 CD2 TRP A 44 -8.231 28.938 13.038 1.00100.00 C ATOM 664 NE1 TRP A 44 -8.245 26.724 13.027 1.00100.00 N ATOM 665 CE2 TRP A 44 -9.087 27.810 13.155 1.00100.00 C ATOM 666 CE3 TRP A 44 -8.835 30.207 13.110 1.00100.00 C ATOM 667 CZ2 TRP A 44 -10.467 27.933 13.351 1.00100.00 C ATOM 668 CZ3 TRP A 44 -10.218 30.343 13.298 1.00100.00 C ATOM 669 CH2 TRP A 44 -11.035 29.211 13.421 1.00100.00 C ATOM 0 H TRP A 44 -3.444 29.948 10.364 1.00100.00 H new ATOM 0 HA TRP A 44 -5.037 28.653 10.741 1.00100.00 H new ATOM 0 HB2 TRP A 44 -4.780 28.730 13.115 1.00100.00 H new ATOM 0 HB3 TRP A 44 -5.720 30.204 13.241 1.00100.00 H new ATOM 0 HD1 TRP A 44 -6.096 26.449 12.719 1.00100.00 H new ATOM 0 HE1 TRP A 44 -8.553 25.752 13.061 1.00100.00 H new ATOM 0 HE3 TRP A 44 -8.223 31.092 13.019 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -11.086 27.053 13.447 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -10.657 31.328 13.348 1.00100.00 H new ATOM 0 HH2 TRP A 44 -12.099 29.324 13.569 1.00100.00 H new ATOM 680 N TYR A 45 -6.726 31.503 10.532 1.00100.00 N ATOM 681 CA TYR A 45 -7.845 32.160 9.905 1.00100.00 C ATOM 682 C TYR A 45 -7.357 32.544 8.511 1.00100.00 C ATOM 683 O TYR A 45 -6.540 33.459 8.373 1.00100.00 O ATOM 684 CB TYR A 45 -8.184 33.425 10.741 1.00100.00 C ATOM 685 CG TYR A 45 -9.356 34.216 10.212 1.00100.00 C ATOM 686 CD1 TYR A 45 -9.159 35.180 9.213 1.00100.00 C ATOM 687 CD2 TYR A 45 -10.638 33.996 10.734 1.00100.00 C ATOM 688 CE1 TYR A 45 -10.244 35.923 8.728 1.00100.00 C ATOM 689 CE2 TYR A 45 -11.728 34.739 10.260 1.00100.00 C ATOM 690 CZ TYR A 45 -11.534 35.706 9.253 1.00100.00 C ATOM 691 OH TYR A 45 -12.591 36.432 8.785 1.00100.00 O ATOM 0 H TYR A 45 -6.115 32.147 11.035 1.00100.00 H new ATOM 0 HA TYR A 45 -8.739 31.539 9.844 1.00100.00 H new ATOM 0 HB2 TYR A 45 -8.396 33.124 11.767 1.00100.00 H new ATOM 0 HB3 TYR A 45 -7.307 34.072 10.773 1.00100.00 H new ATOM 0 HD1 TYR A 45 -8.169 35.350 8.816 1.00100.00 H new ATOM 0 HD2 TYR A 45 -10.786 33.252 11.503 1.00100.00 H new ATOM 0 HE1 TYR A 45 -10.092 36.660 7.954 1.00100.00 H new ATOM 0 HE2 TYR A 45 -12.715 34.571 10.666 1.00100.00 H new ATOM 0 HH TYR A 45 -13.408 36.158 9.251 1.00100.00 H new ATOM 701 N PRO A 46 -7.831 31.838 7.443 1.00100.00 N ATOM 702 CA PRO A 46 -7.455 32.078 6.067 1.00100.00 C ATOM 703 C PRO A 46 -8.196 33.211 5.411 1.00100.00 C ATOM 704 O PRO A 46 -9.139 33.743 6.000 1.00100.00 O ATOM 705 CB PRO A 46 -7.715 30.748 5.371 1.00100.00 C ATOM 706 CG PRO A 46 -8.988 30.284 6.070 1.00100.00 C ATOM 707 CD PRO A 46 -8.708 30.683 7.518 1.00100.00 C ATOM 0 HA PRO A 46 -6.416 32.400 6.001 1.00100.00 H new ATOM 0 HB2 PRO A 46 -7.857 30.868 4.297 1.00100.00 H new ATOM 0 HB3 PRO A 46 -6.893 30.046 5.507 1.00100.00 H new ATOM 0 HG2 PRO A 46 -9.876 30.777 5.674 1.00100.00 H new ATOM 0 HG3 PRO A 46 -9.145 29.211 5.964 1.00100.00 H new ATOM 0 HD2 PRO A 46 -9.632 30.926 8.043 1.00100.00 H new ATOM 0 HD3 PRO A 46 -8.236 29.867 8.065 1.00100.00 H new ATOM 715 N GLU A 47 -7.749 33.589 4.185 1.00100.00 N ATOM 716 CA GLU A 47 -8.347 34.620 3.373 1.00100.00 C ATOM 717 C GLU A 47 -9.764 34.205 3.039 1.00100.00 C ATOM 718 O GLU A 47 -10.695 34.999 3.198 1.00100.00 O ATOM 719 CB GLU A 47 -7.618 34.755 2.021 1.00100.00 C ATOM 720 CG GLU A 47 -6.165 35.178 2.230 1.00100.00 C ATOM 721 CD GLU A 47 -5.464 35.385 0.892 1.00100.00 C ATOM 722 OE1 GLU A 47 -5.484 34.432 0.084 1.00100.00 O ATOM 723 OE2 GLU A 47 -4.924 36.497 0.702 1.00100.00 O ATOM 0 H GLU A 47 -6.937 33.157 3.744 1.00100.00 H new ATOM 0 HA GLU A 47 -8.296 35.557 3.928 1.00100.00 H new ATOM 0 HB2 GLU A 47 -7.652 33.805 1.488 1.00100.00 H new ATOM 0 HB3 GLU A 47 -8.130 35.489 1.398 1.00100.00 H new ATOM 0 HG2 GLU A 47 -6.130 36.100 2.811 1.00100.00 H new ATOM 0 HG3 GLU A 47 -5.639 34.417 2.807 1.00100.00 H new ATOM 730 N GLU A 48 -9.944 32.925 2.613 1.00100.00 N ATOM 731 CA GLU A 48 -11.233 32.391 2.266 1.00100.00 C ATOM 732 C GLU A 48 -11.590 31.352 3.283 1.00100.00 C ATOM 733 O GLU A 48 -10.996 30.274 3.328 1.00100.00 O ATOM 734 CB GLU A 48 -11.262 31.692 0.880 1.00100.00 C ATOM 735 CG GLU A 48 -11.035 32.679 -0.266 1.00100.00 C ATOM 736 CD GLU A 48 -12.200 33.651 -0.429 1.00100.00 C ATOM 737 OE1 GLU A 48 -13.297 33.332 0.078 1.00100.00 O ATOM 738 OE2 GLU A 48 -11.970 34.697 -1.074 1.00100.00 O ATOM 0 H GLU A 48 -9.180 32.257 2.510 1.00100.00 H new ATOM 0 HA GLU A 48 -11.928 33.230 2.236 1.00100.00 H new ATOM 0 HB2 GLU A 48 -10.495 30.918 0.849 1.00100.00 H new ATOM 0 HB3 GLU A 48 -12.223 31.195 0.745 1.00100.00 H new ATOM 0 HG2 GLU A 48 -10.119 33.240 -0.084 1.00100.00 H new ATOM 0 HG3 GLU A 48 -10.891 32.127 -1.195 1.00100.00 H new ATOM 745 N LEU A 49 -12.548 31.697 4.169 1.00100.00 N ATOM 746 CA LEU A 49 -13.052 30.809 5.188 1.00100.00 C ATOM 747 C LEU A 49 -13.879 29.705 4.598 1.00100.00 C ATOM 748 O LEU A 49 -13.800 28.553 5.027 1.00100.00 O ATOM 749 CB LEU A 49 -13.959 31.506 6.220 1.00100.00 C ATOM 750 CG LEU A 49 -13.227 32.642 6.937 1.00100.00 C ATOM 751 CD1 LEU A 49 -14.204 33.349 7.874 1.00100.00 C ATOM 752 CD2 LEU A 49 -12.055 32.095 7.750 1.00100.00 C ATOM 0 H LEU A 49 -12.987 32.618 4.180 1.00100.00 H new ATOM 0 HA LEU A 49 -12.154 30.432 5.676 1.00100.00 H new ATOM 0 HB2 LEU A 49 -14.843 31.901 5.720 1.00100.00 H new ATOM 0 HB3 LEU A 49 -14.306 30.777 6.952 1.00100.00 H new ATOM 0 HG LEU A 49 -12.842 33.341 6.195 1.00100.00 H new ATOM 0 HD11 LEU A 49 -13.691 34.161 8.390 1.00100.00 H new ATOM 0 HD12 LEU A 49 -15.034 33.754 7.296 1.00100.00 H new ATOM 0 HD13 LEU A 49 -14.585 32.637 8.606 1.00100.00 H new ATOM 0 HD21 LEU A 49 -11.546 32.917 8.253 1.00100.00 H new ATOM 0 HD22 LEU A 49 -12.426 31.389 8.493 1.00100.00 H new ATOM 0 HD23 LEU A 49 -11.356 31.588 7.085 1.00100.00 H new ATOM 764 N LEU A 50 -14.690 30.071 3.580 1.00100.00 N ATOM 765 CA LEU A 50 -15.612 29.209 2.894 1.00100.00 C ATOM 766 C LEU A 50 -14.983 28.069 2.165 1.00100.00 C ATOM 767 O LEU A 50 -13.897 28.184 1.598 1.00100.00 O ATOM 768 CB LEU A 50 -16.474 29.971 1.865 1.00100.00 C ATOM 769 CG LEU A 50 -17.190 31.165 2.503 1.00100.00 C ATOM 770 CD1 LEU A 50 -18.000 31.888 1.429 1.00100.00 C ATOM 771 CD2 LEU A 50 -18.128 30.709 3.620 1.00100.00 C ATOM 0 H LEU A 50 -14.702 31.024 3.216 1.00100.00 H new ATOM 0 HA LEU A 50 -16.219 28.813 3.708 1.00100.00 H new ATOM 0 HB2 LEU A 50 -15.843 30.319 1.047 1.00100.00 H new ATOM 0 HB3 LEU A 50 -17.210 29.293 1.433 1.00100.00 H new ATOM 0 HG LEU A 50 -16.443 31.833 2.932 1.00100.00 H new ATOM 0 HD11 LEU A 50 -18.514 32.740 1.873 1.00100.00 H new ATOM 0 HD12 LEU A 50 -17.331 32.237 0.642 1.00100.00 H new ATOM 0 HD13 LEU A 50 -18.734 31.203 1.004 1.00100.00 H new ATOM 0 HD21 LEU A 50 -18.624 31.577 4.056 1.00100.00 H new ATOM 0 HD22 LEU A 50 -18.877 30.030 3.212 1.00100.00 H new ATOM 0 HD23 LEU A 50 -17.553 30.194 4.390 1.00100.00 H new HETATM 783 N TPO A 51 -15.695 26.922 2.210 1.00100.00 N HETATM 784 CA TPO A 51 -15.325 25.692 1.563 1.00100.00 C HETATM 785 CB TPO A 51 -16.230 24.557 2.004 1.00100.00 C HETATM 786 CG2 TPO A 51 -15.931 23.289 1.204 1.00100.00 C HETATM 787 OG1 TPO A 51 -16.021 24.307 3.376 1.00100.00 O HETATM 788 P TPO A 51 -16.381 25.632 4.194 1.00100.00 P HETATM 789 O1P TPO A 51 -16.179 25.405 5.567 1.00 0.00 O HETATM 790 O2P TPO A 51 -17.727 25.971 3.968 1.00 0.00 O HETATM 791 O3P TPO A 51 -15.554 26.686 3.767 1.00 0.00 O HETATM 792 C TPO A 51 -15.486 25.923 0.080 1.00100.00 C HETATM 793 O TPO A 51 -16.493 26.484 -0.364 1.00100.00 O HETATM 0 HG23 TPO A 51 -16.096 23.480 0.144 1.00100.00 H new HETATM 0 HG22 TPO A 51 -14.893 22.995 1.362 1.00100.00 H new HETATM 0 HG21 TPO A 51 -16.590 22.486 1.535 1.00100.00 H new HETATM 0 HB TPO A 51 -17.267 24.842 1.829 1.00100.00 H new HETATM 0 HA TPO A 51 -14.303 25.415 1.820 1.00100.00 H new ATOM 800 N ASP A 52 -14.474 25.488 -0.706 1.00100.00 N ATOM 801 CA ASP A 52 -14.482 25.645 -2.138 1.00100.00 C ATOM 802 C ASP A 52 -15.529 24.726 -2.717 1.00100.00 C ATOM 803 O ASP A 52 -15.651 23.562 -2.324 1.00100.00 O ATOM 804 CB ASP A 52 -13.121 25.315 -2.798 1.00100.00 C ATOM 805 CG ASP A 52 -13.156 25.571 -4.301 1.00100.00 C ATOM 806 OD1 ASP A 52 -13.548 24.638 -5.035 1.00100.00 O ATOM 807 OD2 ASP A 52 -12.789 26.702 -4.688 1.00100.00 O ATOM 0 H ASP A 52 -13.641 25.022 -0.345 1.00100.00 H new ATOM 0 HA ASP A 52 -14.697 26.693 -2.345 1.00100.00 H new ATOM 0 HB2 ASP A 52 -12.337 25.920 -2.342 1.00100.00 H new ATOM 0 HB3 ASP A 52 -12.867 24.272 -2.611 1.00100.00 H new ATOM 812 N GLY A 53 -16.317 25.285 -3.657 1.00100.00 N ATOM 813 CA GLY A 53 -17.371 24.597 -4.345 1.00100.00 C ATOM 814 C GLY A 53 -16.856 24.393 -5.725 1.00100.00 C ATOM 815 O GLY A 53 -16.085 23.460 -5.961 1.00100.00 O ATOM 0 H GLY A 53 -16.216 26.257 -3.950 1.00100.00 H new ATOM 0 HA2 GLY A 53 -17.602 23.646 -3.865 1.00100.00 H new ATOM 0 HA3 GLY A 53 -18.290 25.184 -4.349 1.00100.00 H new ATOM 819 N GLU A 54 -17.306 25.247 -6.675 1.00100.00 N ATOM 820 CA GLU A 54 -16.842 25.145 -8.029 1.00100.00 C ATOM 821 C GLU A 54 -16.105 26.413 -8.328 1.00100.00 C ATOM 822 O GLU A 54 -16.707 27.462 -8.578 1.00100.00 O ATOM 823 CB GLU A 54 -17.962 24.924 -9.074 1.00100.00 C ATOM 824 CG GLU A 54 -18.671 23.600 -8.790 1.00100.00 C ATOM 825 CD GLU A 54 -19.731 23.301 -9.842 1.00100.00 C ATOM 826 OE1 GLU A 54 -20.490 24.240 -10.171 1.00100.00 O ATOM 827 OE2 GLU A 54 -19.764 22.138 -10.298 1.00100.00 O ATOM 0 H GLU A 54 -17.979 25.995 -6.507 1.00100.00 H new ATOM 0 HA GLU A 54 -16.210 24.261 -8.107 1.00100.00 H new ATOM 0 HB2 GLU A 54 -18.676 25.746 -9.036 1.00100.00 H new ATOM 0 HB3 GLU A 54 -17.540 24.914 -10.079 1.00100.00 H new ATOM 0 HG2 GLU A 54 -17.940 22.792 -8.768 1.00100.00 H new ATOM 0 HG3 GLU A 54 -19.135 23.638 -7.804 1.00100.00 H new ATOM 834 N ASP A 55 -14.752 26.313 -8.269 1.00100.00 N ATOM 835 CA ASP A 55 -13.788 27.363 -8.522 1.00100.00 C ATOM 836 C ASP A 55 -14.059 28.620 -7.716 1.00100.00 C ATOM 837 O ASP A 55 -13.930 29.743 -8.215 1.00100.00 O ATOM 838 CB ASP A 55 -13.641 27.706 -10.039 1.00100.00 C ATOM 839 CG ASP A 55 -13.207 26.484 -10.839 1.00100.00 C ATOM 840 OD1 ASP A 55 -12.334 25.748 -10.329 1.00100.00 O ATOM 841 OD2 ASP A 55 -13.757 26.307 -11.948 1.00100.00 O ATOM 0 H ASP A 55 -14.298 25.432 -8.026 1.00100.00 H new ATOM 0 HA ASP A 55 -12.836 26.954 -8.185 1.00100.00 H new ATOM 0 HB2 ASP A 55 -14.590 28.078 -10.424 1.00100.00 H new ATOM 0 HB3 ASP A 55 -12.910 28.505 -10.165 1.00100.00 H new ATOM 846 N ASP A 56 -14.458 28.444 -6.432 1.00100.00 N ATOM 847 CA ASP A 56 -14.759 29.539 -5.539 1.00100.00 C ATOM 848 C ASP A 56 -13.527 30.340 -5.226 1.00100.00 C ATOM 849 O ASP A 56 -13.576 31.571 -5.190 1.00100.00 O ATOM 850 CB ASP A 56 -15.407 29.088 -4.209 1.00100.00 C ATOM 851 CG ASP A 56 -16.792 28.483 -4.414 1.00100.00 C ATOM 852 OD1 ASP A 56 -17.290 28.549 -5.560 1.00100.00 O ATOM 853 OD2 ASP A 56 -17.334 27.970 -3.411 1.00100.00 O ATOM 0 H ASP A 56 -14.574 27.525 -6.006 1.00100.00 H new ATOM 0 HA ASP A 56 -15.483 30.153 -6.074 1.00100.00 H new ATOM 0 HB2 ASP A 56 -14.762 28.356 -3.723 1.00100.00 H new ATOM 0 HB3 ASP A 56 -15.482 29.942 -3.536 1.00100.00 H new ATOM 858 N VAL A 57 -12.393 29.633 -5.014 1.00100.00 N ATOM 859 CA VAL A 57 -11.125 30.226 -4.699 1.00100.00 C ATOM 860 C VAL A 57 -10.554 30.891 -5.920 1.00100.00 C ATOM 861 O VAL A 57 -10.804 30.484 -7.058 1.00100.00 O ATOM 862 CB VAL A 57 -10.167 29.246 -4.032 1.00100.00 C ATOM 863 CG1 VAL A 57 -9.651 28.216 -5.037 1.00100.00 C ATOM 864 CG2 VAL A 57 -8.998 29.973 -3.367 1.00100.00 C ATOM 0 H VAL A 57 -12.361 28.615 -5.064 1.00100.00 H new ATOM 0 HA VAL A 57 -11.282 31.001 -3.949 1.00100.00 H new ATOM 0 HB VAL A 57 -10.724 28.723 -3.255 1.00100.00 H new ATOM 0 HG11 VAL A 57 -8.969 27.529 -4.536 1.00100.00 H new ATOM 0 HG12 VAL A 57 -10.491 27.658 -5.450 1.00100.00 H new ATOM 0 HG13 VAL A 57 -9.124 28.726 -5.843 1.00100.00 H new ATOM 0 HG21 VAL A 57 -8.334 29.245 -2.901 1.00100.00 H new ATOM 0 HG22 VAL A 57 -8.446 30.538 -4.118 1.00100.00 H new ATOM 0 HG23 VAL A 57 -9.379 30.655 -2.607 1.00100.00 H new ATOM 874 N PHE A 58 -9.769 31.960 -5.656 1.00100.00 N ATOM 875 CA PHE A 58 -9.112 32.800 -6.614 1.00100.00 C ATOM 876 C PHE A 58 -10.099 33.347 -7.613 1.00100.00 C ATOM 877 O PHE A 58 -9.867 33.323 -8.823 1.00100.00 O ATOM 878 CB PHE A 58 -7.859 32.169 -7.301 1.00100.00 C ATOM 879 CG PHE A 58 -6.826 31.671 -6.318 1.00100.00 C ATOM 880 CD1 PHE A 58 -6.069 32.586 -5.572 1.00100.00 C ATOM 881 CD2 PHE A 58 -6.632 30.294 -6.142 1.00100.00 C ATOM 882 CE1 PHE A 58 -5.124 32.123 -4.647 1.00100.00 C ATOM 883 CE2 PHE A 58 -5.688 29.831 -5.217 1.00100.00 C ATOM 884 CZ PHE A 58 -4.933 30.747 -4.468 1.00100.00 C ATOM 0 H PHE A 58 -9.582 32.256 -4.698 1.00100.00 H new ATOM 0 HA PHE A 58 -8.700 33.630 -6.039 1.00100.00 H new ATOM 0 HB2 PHE A 58 -8.178 31.340 -7.933 1.00100.00 H new ATOM 0 HB3 PHE A 58 -7.400 32.910 -7.955 1.00100.00 H new ATOM 0 HD1 PHE A 58 -6.214 33.647 -5.710 1.00100.00 H new ATOM 0 HD2 PHE A 58 -7.211 29.589 -6.720 1.00100.00 H new ATOM 0 HE1 PHE A 58 -4.542 32.828 -4.071 1.00100.00 H new ATOM 0 HE2 PHE A 58 -5.541 28.770 -5.080 1.00100.00 H new ATOM 0 HZ PHE A 58 -4.205 30.391 -3.754 1.00100.00 H new ATOM 894 N ASP A 59 -11.268 33.820 -7.094 1.00100.00 N ATOM 895 CA ASP A 59 -12.310 34.414 -7.898 1.00100.00 C ATOM 896 C ASP A 59 -11.759 35.663 -8.581 1.00100.00 C ATOM 897 O ASP A 59 -11.996 35.785 -9.786 1.00100.00 O ATOM 898 CB ASP A 59 -13.618 34.705 -7.107 1.00100.00 C ATOM 899 CG ASP A 59 -14.683 35.286 -8.028 1.00100.00 C ATOM 900 OD1 ASP A 59 -15.266 34.489 -8.794 1.00100.00 O ATOM 901 OD2 ASP A 59 -14.888 36.517 -7.955 1.00100.00 O ATOM 0 H ASP A 59 -11.489 33.787 -6.099 1.00100.00 H new ATOM 0 HA ASP A 59 -12.606 33.687 -8.654 1.00100.00 H new ATOM 0 HB2 ASP A 59 -13.986 33.786 -6.651 1.00100.00 H new ATOM 0 HB3 ASP A 59 -13.411 35.403 -6.296 1.00100.00 H new ATOM 906 N PRO A 60 -11.013 36.610 -7.897 1.00100.00 N ATOM 907 CA PRO A 60 -10.426 37.752 -8.571 1.00100.00 C ATOM 908 C PRO A 60 -9.303 37.246 -9.448 1.00100.00 C ATOM 909 O PRO A 60 -8.694 36.227 -9.109 1.00100.00 O ATOM 910 CB PRO A 60 -9.963 38.711 -7.473 1.00100.00 C ATOM 911 CG PRO A 60 -9.665 37.755 -6.319 1.00100.00 C ATOM 912 CD PRO A 60 -10.712 36.650 -6.478 1.00100.00 C ATOM 0 HA PRO A 60 -11.118 38.287 -9.222 1.00100.00 H new ATOM 0 HB2 PRO A 60 -9.081 39.277 -7.772 1.00100.00 H new ATOM 0 HB3 PRO A 60 -10.734 39.436 -7.213 1.00100.00 H new ATOM 0 HG2 PRO A 60 -8.652 37.358 -6.381 1.00100.00 H new ATOM 0 HG3 PRO A 60 -9.754 38.254 -5.354 1.00100.00 H new ATOM 0 HD2 PRO A 60 -10.328 35.691 -6.130 1.00100.00 H new ATOM 0 HD3 PRO A 60 -11.605 36.867 -5.892 1.00100.00 H new ATOM 920 N ASP A 61 -9.010 37.952 -10.563 1.00100.00 N ATOM 921 CA ASP A 61 -7.990 37.530 -11.492 1.00100.00 C ATOM 922 C ASP A 61 -6.621 37.560 -10.859 1.00100.00 C ATOM 923 O ASP A 61 -6.227 38.539 -10.220 1.00100.00 O ATOM 924 CB ASP A 61 -8.015 38.363 -12.798 1.00100.00 C ATOM 925 CG ASP A 61 -7.071 37.764 -13.835 1.00100.00 C ATOM 926 OD1 ASP A 61 -5.846 37.959 -13.676 1.00100.00 O ATOM 927 OD2 ASP A 61 -7.593 37.113 -14.766 1.00100.00 O ATOM 0 H ASP A 61 -9.480 38.819 -10.824 1.00100.00 H new ATOM 0 HA ASP A 61 -8.214 36.497 -11.760 1.00100.00 H new ATOM 0 HB2 ASP A 61 -9.029 38.394 -13.196 1.00100.00 H new ATOM 0 HB3 ASP A 61 -7.724 39.392 -12.585 1.00100.00 H new ATOM 932 N LEU A 62 -5.895 36.434 -11.037 1.00100.00 N ATOM 933 CA LEU A 62 -4.575 36.250 -10.508 1.00100.00 C ATOM 934 C LEU A 62 -3.674 36.091 -11.704 1.00100.00 C ATOM 935 O LEU A 62 -2.709 36.843 -11.848 1.00100.00 O ATOM 936 CB LEU A 62 -4.524 34.992 -9.597 1.00100.00 C ATOM 937 CG LEU A 62 -3.107 34.665 -9.123 1.00100.00 C ATOM 938 CD1 LEU A 62 -2.546 35.798 -8.265 1.00100.00 C ATOM 939 CD2 LEU A 62 -3.150 33.377 -8.300 1.00100.00 C ATOM 0 H LEU A 62 -6.238 35.631 -11.564 1.00100.00 H new ATOM 0 HA LEU A 62 -4.265 37.093 -9.890 1.00100.00 H new ATOM 0 HB2 LEU A 62 -5.166 35.150 -8.730 1.00100.00 H new ATOM 0 HB3 LEU A 62 -4.927 34.138 -10.141 1.00100.00 H new ATOM 0 HG LEU A 62 -2.461 34.541 -9.992 1.00100.00 H new ATOM 0 HD11 LEU A 62 -1.538 35.543 -7.940 1.00100.00 H new ATOM 0 HD12 LEU A 62 -2.517 36.717 -8.850 1.00100.00 H new ATOM 0 HD13 LEU A 62 -3.183 35.943 -7.392 1.00100.00 H new ATOM 0 HD21 LEU A 62 -2.145 33.132 -7.955 1.00100.00 H new ATOM 0 HD22 LEU A 62 -3.805 33.517 -7.440 1.00100.00 H new ATOM 0 HD23 LEU A 62 -3.530 32.563 -8.917 1.00100.00 H new ATOM 951 N ASP A 63 -3.994 35.121 -12.595 1.00100.00 N ATOM 952 CA ASP A 63 -3.224 34.869 -13.789 1.00100.00 C ATOM 953 C ASP A 63 -4.203 34.783 -14.936 1.00100.00 C ATOM 954 O ASP A 63 -5.372 34.443 -14.752 1.00100.00 O ATOM 955 CB ASP A 63 -2.409 33.547 -13.719 1.00100.00 C ATOM 956 CG ASP A 63 -1.490 33.410 -14.924 1.00100.00 C ATOM 957 OD1 ASP A 63 -0.559 34.238 -15.025 1.00100.00 O ATOM 958 OD2 ASP A 63 -1.736 32.482 -15.724 1.00100.00 O ATOM 0 H ASP A 63 -4.798 34.503 -12.485 1.00100.00 H new ATOM 0 HA ASP A 63 -2.501 35.675 -13.913 1.00100.00 H new ATOM 0 HB2 ASP A 63 -1.819 33.527 -12.803 1.00100.00 H new ATOM 0 HB3 ASP A 63 -3.090 32.697 -13.678 1.00100.00 H new ATOM 963 N MET A 64 -3.725 35.129 -16.158 1.00100.00 N ATOM 964 CA MET A 64 -4.495 35.099 -17.380 1.00100.00 C ATOM 965 C MET A 64 -4.930 33.694 -17.711 1.00100.00 C ATOM 966 O MET A 64 -6.091 33.461 -18.056 1.00100.00 O ATOM 967 CB MET A 64 -3.693 35.601 -18.595 1.00100.00 C ATOM 968 CG MET A 64 -3.248 37.044 -18.366 1.00100.00 C ATOM 969 SD MET A 64 -2.310 37.756 -19.742 1.00100.00 S ATOM 970 CE MET A 64 -0.867 36.662 -19.711 1.00100.00 C ATOM 0 H MET A 64 -2.765 35.442 -16.300 1.00100.00 H new ATOM 0 HA MET A 64 -5.349 35.752 -17.199 1.00100.00 H new ATOM 0 HB2 MET A 64 -2.823 34.964 -18.755 1.00100.00 H new ATOM 0 HB3 MET A 64 -4.304 35.539 -19.496 1.00100.00 H new ATOM 0 HG2 MET A 64 -4.129 37.660 -18.184 1.00100.00 H new ATOM 0 HG3 MET A 64 -2.637 37.086 -17.464 1.00100.00 H new ATOM 0 HE1 MET A 64 -0.047 37.126 -20.258 1.00100.00 H new ATOM 0 HE2 MET A 64 -0.563 36.490 -18.679 1.00100.00 H new ATOM 0 HE3 MET A 64 -1.122 35.710 -20.177 1.00100.00 H new ATOM 980 N GLU A 65 -4.008 32.719 -17.537 1.00100.00 N ATOM 981 CA GLU A 65 -4.268 31.335 -17.808 1.00100.00 C ATOM 982 C GLU A 65 -4.947 30.793 -16.588 1.00100.00 C ATOM 983 O GLU A 65 -4.481 30.990 -15.460 1.00100.00 O ATOM 984 CB GLU A 65 -2.974 30.551 -18.102 1.00100.00 C ATOM 985 CG GLU A 65 -3.325 29.142 -18.574 1.00100.00 C ATOM 986 CD GLU A 65 -2.065 28.334 -18.858 1.00100.00 C ATOM 987 OE1 GLU A 65 -1.341 28.051 -17.880 1.00100.00 O ATOM 988 OE2 GLU A 65 -1.852 28.014 -20.047 1.00100.00 O ATOM 0 H GLU A 65 -3.062 32.900 -17.201 1.00100.00 H new ATOM 0 HA GLU A 65 -4.889 31.232 -18.698 1.00100.00 H new ATOM 0 HB2 GLU A 65 -2.390 31.066 -18.865 1.00100.00 H new ATOM 0 HB3 GLU A 65 -2.355 30.502 -17.206 1.00100.00 H new ATOM 0 HG2 GLU A 65 -3.922 28.638 -17.814 1.00100.00 H new ATOM 0 HG3 GLU A 65 -3.937 29.198 -19.474 1.00100.00 H new ATOM 995 N VAL A 66 -6.098 30.123 -16.815 1.00100.00 N ATOM 996 CA VAL A 66 -6.840 29.579 -15.717 1.00100.00 C ATOM 997 C VAL A 66 -6.492 28.125 -15.609 1.00100.00 C ATOM 998 O VAL A 66 -6.862 27.293 -16.441 1.00100.00 O ATOM 999 CB VAL A 66 -8.348 29.783 -15.824 1.00100.00 C ATOM 1000 CG1 VAL A 66 -9.042 29.194 -14.597 1.00100.00 C ATOM 1001 CG2 VAL A 66 -8.655 31.278 -15.910 1.00100.00 C ATOM 0 H VAL A 66 -6.505 29.962 -17.736 1.00100.00 H new ATOM 0 HA VAL A 66 -6.558 30.119 -14.813 1.00100.00 H new ATOM 0 HB VAL A 66 -8.713 29.280 -16.719 1.00100.00 H new ATOM 0 HG11 VAL A 66 -10.118 29.344 -14.681 1.00100.00 H new ATOM 0 HG12 VAL A 66 -8.828 28.127 -14.535 1.00100.00 H new ATOM 0 HG13 VAL A 66 -8.676 29.690 -13.698 1.00100.00 H new ATOM 0 HG21 VAL A 66 -9.732 31.424 -15.987 1.00100.00 H new ATOM 0 HG22 VAL A 66 -8.284 31.778 -15.015 1.00100.00 H new ATOM 0 HG23 VAL A 66 -8.168 31.699 -16.790 1.00100.00 H new ATOM 1011 N VAL A 67 -5.703 27.838 -14.557 1.00100.00 N ATOM 1012 CA VAL A 67 -5.259 26.523 -14.176 1.00100.00 C ATOM 1013 C VAL A 67 -5.647 26.517 -12.716 1.00100.00 C ATOM 1014 O VAL A 67 -5.453 27.518 -12.020 1.00100.00 O ATOM 1015 CB VAL A 67 -3.757 26.284 -14.282 1.00100.00 C ATOM 1016 CG1 VAL A 67 -3.412 24.859 -13.852 1.00100.00 C ATOM 1017 CG2 VAL A 67 -3.306 26.504 -15.725 1.00100.00 C ATOM 0 H VAL A 67 -5.352 28.564 -13.933 1.00100.00 H new ATOM 0 HA VAL A 67 -5.687 25.755 -14.821 1.00100.00 H new ATOM 0 HB VAL A 67 -3.242 26.984 -13.624 1.00100.00 H new ATOM 0 HG11 VAL A 67 -2.336 24.705 -13.934 1.00100.00 H new ATOM 0 HG12 VAL A 67 -3.723 24.705 -12.819 1.00100.00 H new ATOM 0 HG13 VAL A 67 -3.930 24.149 -14.497 1.00100.00 H new ATOM 0 HG21 VAL A 67 -2.232 26.333 -15.801 1.00100.00 H new ATOM 0 HG22 VAL A 67 -3.831 25.809 -16.380 1.00100.00 H new ATOM 0 HG23 VAL A 67 -3.533 27.527 -16.025 1.00100.00 H new ATOM 1027 N PHE A 68 -6.248 25.407 -12.219 1.00100.00 N ATOM 1028 CA PHE A 68 -6.643 25.339 -10.831 1.00100.00 C ATOM 1029 C PHE A 68 -5.409 25.386 -9.945 1.00100.00 C ATOM 1030 O PHE A 68 -5.405 26.099 -8.939 1.00100.00 O ATOM 1031 CB PHE A 68 -7.543 24.116 -10.490 1.00100.00 C ATOM 1032 CG PHE A 68 -8.095 24.212 -9.085 1.00100.00 C ATOM 1033 CD1 PHE A 68 -9.167 25.075 -8.818 1.00100.00 C ATOM 1034 CD2 PHE A 68 -7.506 23.486 -8.041 1.00100.00 C ATOM 1035 CE1 PHE A 68 -9.652 25.212 -7.509 1.00100.00 C ATOM 1036 CE2 PHE A 68 -7.993 23.620 -6.733 1.00100.00 C ATOM 1037 CZ PHE A 68 -9.063 24.485 -6.466 1.00100.00 C ATOM 0 H PHE A 68 -6.458 24.572 -12.765 1.00100.00 H new ATOM 0 HA PHE A 68 -7.267 26.211 -10.636 1.00100.00 H new ATOM 0 HB2 PHE A 68 -8.366 24.058 -11.203 1.00100.00 H new ATOM 0 HB3 PHE A 68 -6.966 23.197 -10.594 1.00100.00 H new ATOM 0 HD1 PHE A 68 -9.620 25.636 -9.622 1.00100.00 H new ATOM 0 HD2 PHE A 68 -6.677 22.824 -8.244 1.00100.00 H new ATOM 0 HE1 PHE A 68 -10.478 25.877 -7.305 1.00100.00 H new ATOM 0 HE2 PHE A 68 -7.543 23.056 -5.930 1.00100.00 H new ATOM 0 HZ PHE A 68 -9.433 24.591 -5.457 1.00100.00 H new ATOM 1047 N GLU A 69 -4.330 24.659 -10.330 1.00100.00 N ATOM 1048 CA GLU A 69 -3.109 24.643 -9.571 1.00100.00 C ATOM 1049 C GLU A 69 -2.281 25.818 -10.016 1.00100.00 C ATOM 1050 O GLU A 69 -1.481 25.724 -10.952 1.00100.00 O ATOM 1051 CB GLU A 69 -2.276 23.355 -9.761 1.00100.00 C ATOM 1052 CG GLU A 69 -3.045 22.157 -9.212 1.00100.00 C ATOM 1053 CD GLU A 69 -2.290 20.852 -9.434 1.00100.00 C ATOM 1054 OE1 GLU A 69 -1.733 20.693 -10.541 1.00100.00 O ATOM 1055 OE2 GLU A 69 -2.295 20.030 -8.492 1.00100.00 O ATOM 0 H GLU A 69 -4.307 24.082 -11.171 1.00100.00 H new ATOM 0 HA GLU A 69 -3.377 24.689 -8.515 1.00100.00 H new ATOM 0 HB2 GLU A 69 -2.057 23.205 -10.818 1.00100.00 H new ATOM 0 HB3 GLU A 69 -1.319 23.451 -9.248 1.00100.00 H new ATOM 0 HG2 GLU A 69 -3.224 22.297 -8.146 1.00100.00 H new ATOM 0 HG3 GLU A 69 -4.021 22.099 -9.694 1.00100.00 H new ATOM 1062 N THR A 70 -2.508 26.978 -9.364 1.00100.00 N ATOM 1063 CA THR A 70 -1.777 28.183 -9.660 1.00100.00 C ATOM 1064 C THR A 70 -1.125 28.552 -8.362 1.00100.00 C ATOM 1065 O THR A 70 -1.764 28.559 -7.306 1.00100.00 O ATOM 1066 CB THR A 70 -2.622 29.347 -10.142 1.00100.00 C ATOM 1067 OG1 THR A 70 -3.236 28.990 -11.360 1.00100.00 O ATOM 1068 CG2 THR A 70 -1.760 30.589 -10.370 1.00100.00 C ATOM 0 H THR A 70 -3.203 27.084 -8.625 1.00100.00 H new ATOM 0 HA THR A 70 -1.089 27.990 -10.483 1.00100.00 H new ATOM 0 HB THR A 70 -3.370 29.574 -9.383 1.00100.00 H new ATOM 0 HG1 THR A 70 -4.028 28.442 -11.179 1.00100.00 H new ATOM 0 HG21 THR A 70 -2.389 31.410 -10.715 1.00100.00 H new ATOM 0 HG22 THR A 70 -1.275 30.872 -9.436 1.00100.00 H new ATOM 0 HG23 THR A 70 -1.001 30.372 -11.122 1.00100.00 H new ATOM 1076 N GLN A 71 0.193 28.833 -8.423 1.00100.00 N ATOM 1077 CA GLN A 71 0.943 29.199 -7.254 1.00100.00 C ATOM 1078 C GLN A 71 1.441 30.641 -7.406 1.00100.00 C ATOM 1079 O GLN A 71 1.467 31.180 -8.546 1.00100.00 O ATOM 1080 CB GLN A 71 2.161 28.282 -6.989 1.00100.00 C ATOM 1081 CG GLN A 71 1.704 26.847 -6.731 1.00100.00 C ATOM 1082 CD GLN A 71 0.918 26.750 -5.430 1.00100.00 C ATOM 1083 OE1 GLN A 71 1.478 26.954 -4.356 1.00100.00 O ATOM 1084 NE2 GLN A 71 -0.377 26.439 -5.527 1.00100.00 N ATOM 1085 OXT GLN A 71 1.808 31.227 -6.364 1.00100.00 O ATOM 0 H GLN A 71 0.741 28.807 -9.283 1.00100.00 H new ATOM 0 HA GLN A 71 0.268 29.092 -6.405 1.00100.00 H new ATOM 0 HB2 GLN A 71 2.835 28.307 -7.845 1.00100.00 H new ATOM 0 HB3 GLN A 71 2.722 28.651 -6.130 1.00100.00 H new ATOM 0 HG2 GLN A 71 1.085 26.504 -7.560 1.00100.00 H new ATOM 0 HG3 GLN A 71 2.571 26.188 -6.686 1.00100.00 H new ATOM 0 HE21 GLN A 71 -0.796 26.279 -6.443 1.00100.00 H new ATOM 0 HE22 GLN A 71 -0.947 26.362 -4.685 1.00100.00 H new TER 1094 GLN A 71 HETATM 1095 ZN ZN A 101 -13.332 18.934 -1.560 1.00 73.25 ZN