USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 Set 1.1: A 71 ASN : amide:sc= -1.09! C(o=-1.1!,f=-11!) USER MOD Set 1.2: A 74 CYS SG : rot 91:sc= -0.148 USER MOD Set 1.3: A 86 ASN : amide:sc= 0.114 K(o=-1.1,f=-0.32) USER MOD Single : A 51 SER OG : rot 35:sc= 0.782 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -111:sc= 0.0535 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.862 USER MOD Single : A 75 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.147 K(o=0.15,f=-0.39) USER MOD Single : A 92 ASN : amide:sc= -2.17 K(o=-2.2,f=-4.2!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.729 X(o=-0.73,f=-0.73) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 19.768 -6.541 -1.839 1.00 0.00 N ATOM 2 CA GLY A 50 19.953 -5.397 -2.712 1.00 0.00 C ATOM 3 C GLY A 50 20.855 -5.707 -3.891 1.00 0.00 C ATOM 4 O GLY A 50 21.926 -5.118 -4.033 1.00 0.00 O ATOM 0 HA2 GLY A 50 18.982 -5.063 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.378 -4.572 -2.140 1.00 0.00 H new ATOM 8 N SER A 51 20.422 -6.636 -4.736 1.00 0.00 N ATOM 9 CA SER A 51 21.200 -7.028 -5.906 1.00 0.00 C ATOM 10 C SER A 51 20.965 -6.063 -7.063 1.00 0.00 C ATOM 11 O SER A 51 19.875 -6.012 -7.632 1.00 0.00 O ATOM 12 CB SER A 51 20.837 -8.452 -6.332 1.00 0.00 C ATOM 13 OG SER A 51 19.494 -8.523 -6.781 1.00 0.00 O ATOM 0 H SER A 51 19.537 -7.132 -4.633 1.00 0.00 H new ATOM 0 HA SER A 51 22.256 -6.995 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.507 -8.779 -7.127 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.980 -9.134 -5.493 1.00 0.00 H new ATOM 0 HG SER A 51 19.259 -7.692 -7.244 1.00 0.00 H new ATOM 19 N SER A 52 21.997 -5.298 -7.406 1.00 0.00 N ATOM 20 CA SER A 52 21.903 -4.330 -8.493 1.00 0.00 C ATOM 21 C SER A 52 21.296 -4.969 -9.738 1.00 0.00 C ATOM 22 O SER A 52 21.388 -6.180 -9.936 1.00 0.00 O ATOM 23 CB SER A 52 23.286 -3.763 -8.819 1.00 0.00 C ATOM 24 OG SER A 52 24.116 -4.749 -9.409 1.00 0.00 O ATOM 0 H SER A 52 22.907 -5.330 -6.947 1.00 0.00 H new ATOM 0 HA SER A 52 21.252 -3.518 -8.169 1.00 0.00 H new ATOM 0 HB2 SER A 52 23.184 -2.916 -9.497 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.753 -3.388 -7.908 1.00 0.00 H new ATOM 0 HG SER A 52 24.993 -4.361 -9.609 1.00 0.00 H new ATOM 30 N GLY A 53 20.674 -4.145 -10.576 1.00 0.00 N ATOM 31 CA GLY A 53 20.061 -4.646 -11.792 1.00 0.00 C ATOM 32 C GLY A 53 19.137 -5.820 -11.533 1.00 0.00 C ATOM 33 O GLY A 53 19.527 -6.975 -11.705 1.00 0.00 O ATOM 0 H GLY A 53 20.584 -3.139 -10.434 1.00 0.00 H new ATOM 0 HA2 GLY A 53 19.499 -3.843 -12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.841 -4.948 -12.491 1.00 0.00 H new ATOM 37 N SER A 54 17.909 -5.525 -11.118 1.00 0.00 N ATOM 38 CA SER A 54 16.929 -6.565 -10.830 1.00 0.00 C ATOM 39 C SER A 54 15.511 -6.055 -11.065 1.00 0.00 C ATOM 40 O SER A 54 15.176 -4.927 -10.702 1.00 0.00 O ATOM 41 CB SER A 54 17.076 -7.049 -9.386 1.00 0.00 C ATOM 42 OG SER A 54 16.820 -5.999 -8.468 1.00 0.00 O ATOM 0 H SER A 54 17.569 -4.574 -10.974 1.00 0.00 H new ATOM 0 HA SER A 54 17.113 -7.400 -11.506 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.386 -7.873 -9.203 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.083 -7.436 -9.229 1.00 0.00 H new ATOM 0 HG SER A 54 17.654 -5.746 -8.019 1.00 0.00 H new ATOM 48 N SER A 55 14.680 -6.895 -11.676 1.00 0.00 N ATOM 49 CA SER A 55 13.298 -6.529 -11.964 1.00 0.00 C ATOM 50 C SER A 55 12.559 -6.150 -10.685 1.00 0.00 C ATOM 51 O SER A 55 12.798 -6.724 -9.623 1.00 0.00 O ATOM 52 CB SER A 55 12.577 -7.684 -12.661 1.00 0.00 C ATOM 53 OG SER A 55 11.541 -7.206 -13.501 1.00 0.00 O ATOM 0 H SER A 55 14.940 -7.833 -11.981 1.00 0.00 H new ATOM 0 HA SER A 55 13.308 -5.664 -12.627 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.291 -8.260 -13.250 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.161 -8.361 -11.914 1.00 0.00 H new ATOM 0 HG SER A 55 11.097 -7.964 -13.936 1.00 0.00 H new ATOM 59 N GLY A 56 11.657 -5.179 -10.795 1.00 0.00 N ATOM 60 CA GLY A 56 10.895 -4.740 -9.640 1.00 0.00 C ATOM 61 C GLY A 56 9.558 -5.444 -9.525 1.00 0.00 C ATOM 62 O GLY A 56 9.114 -6.103 -10.465 1.00 0.00 O ATOM 0 H GLY A 56 11.440 -4.689 -11.663 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.476 -4.920 -8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.731 -3.664 -9.704 1.00 0.00 H new ATOM 66 N GLU A 57 8.916 -5.306 -8.370 1.00 0.00 N ATOM 67 CA GLU A 57 7.622 -5.938 -8.135 1.00 0.00 C ATOM 68 C GLU A 57 6.543 -4.890 -7.879 1.00 0.00 C ATOM 69 O GLU A 57 6.815 -3.784 -7.409 1.00 0.00 O ATOM 70 CB GLU A 57 7.707 -6.900 -6.948 1.00 0.00 C ATOM 71 CG GLU A 57 8.161 -6.237 -5.659 1.00 0.00 C ATOM 72 CD GLU A 57 7.019 -5.585 -4.904 1.00 0.00 C ATOM 73 OE1 GLU A 57 6.250 -6.315 -4.244 1.00 0.00 O ATOM 74 OE2 GLU A 57 6.894 -4.344 -4.974 1.00 0.00 O ATOM 0 H GLU A 57 9.270 -4.763 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 57 7.353 -6.500 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.729 -7.354 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.397 -7.707 -7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.636 -6.981 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.916 -5.485 -5.888 1.00 0.00 H new ATOM 81 N PRO A 58 5.289 -5.243 -8.195 1.00 0.00 N ATOM 82 CA PRO A 58 4.143 -4.348 -8.007 1.00 0.00 C ATOM 83 C PRO A 58 3.815 -4.127 -6.535 1.00 0.00 C ATOM 84 O PRO A 58 3.619 -5.081 -5.782 1.00 0.00 O ATOM 85 CB PRO A 58 2.998 -5.086 -8.706 1.00 0.00 C ATOM 86 CG PRO A 58 3.391 -6.522 -8.662 1.00 0.00 C ATOM 87 CD PRO A 58 4.892 -6.544 -8.758 1.00 0.00 C ATOM 0 HA PRO A 58 4.334 -3.352 -8.407 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.049 -4.919 -8.196 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.873 -4.741 -9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.052 -6.991 -7.738 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.939 -7.076 -9.485 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.319 -7.373 -8.193 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.227 -6.655 -9.789 1.00 0.00 H new ATOM 95 N VAL A 59 3.755 -2.862 -6.129 1.00 0.00 N ATOM 96 CA VAL A 59 3.448 -2.516 -4.747 1.00 0.00 C ATOM 97 C VAL A 59 1.943 -2.457 -4.516 1.00 0.00 C ATOM 98 O VAL A 59 1.316 -1.412 -4.698 1.00 0.00 O ATOM 99 CB VAL A 59 4.071 -1.163 -4.356 1.00 0.00 C ATOM 100 CG1 VAL A 59 3.656 -0.772 -2.945 1.00 0.00 C ATOM 101 CG2 VAL A 59 5.586 -1.218 -4.479 1.00 0.00 C ATOM 0 H VAL A 59 3.915 -2.060 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 59 3.877 -3.299 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 59 3.702 -0.401 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.106 0.187 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.570 -0.689 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.994 -1.533 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.009 -0.253 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.977 -1.991 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.859 -1.449 -5.509 1.00 0.00 H new ATOM 111 N LEU A 60 1.367 -3.584 -4.113 1.00 0.00 N ATOM 112 CA LEU A 60 -0.067 -3.661 -3.856 1.00 0.00 C ATOM 113 C LEU A 60 -0.419 -2.997 -2.529 1.00 0.00 C ATOM 114 O LEU A 60 0.246 -3.218 -1.516 1.00 0.00 O ATOM 115 CB LEU A 60 -0.526 -5.121 -3.847 1.00 0.00 C ATOM 116 CG LEU A 60 -0.256 -5.917 -5.124 1.00 0.00 C ATOM 117 CD1 LEU A 60 -0.646 -7.375 -4.936 1.00 0.00 C ATOM 118 CD2 LEU A 60 -1.007 -5.310 -6.300 1.00 0.00 C ATOM 0 H LEU A 60 1.871 -4.457 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.583 -3.129 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.038 -5.629 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.598 -5.143 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 60 0.812 -5.872 -5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.447 -7.926 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.064 -7.805 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.707 -7.440 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.803 -5.890 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.077 -5.324 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.679 -4.281 -6.449 1.00 0.00 H new ATOM 130 N CYS A 61 -1.470 -2.185 -2.540 1.00 0.00 N ATOM 131 CA CYS A 61 -1.913 -1.490 -1.337 1.00 0.00 C ATOM 132 C CYS A 61 -2.013 -2.453 -0.158 1.00 0.00 C ATOM 133 O CYS A 61 -2.293 -3.638 -0.333 1.00 0.00 O ATOM 134 CB CYS A 61 -3.267 -0.820 -1.579 1.00 0.00 C ATOM 135 SG CYS A 61 -3.773 0.331 -0.261 1.00 0.00 S ATOM 0 H CYS A 61 -2.032 -1.992 -3.369 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.175 -0.725 -1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.229 -0.279 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.029 -1.592 -1.684 1.00 0.00 H new ATOM 140 N SER A 62 -1.781 -1.934 1.044 1.00 0.00 N ATOM 141 CA SER A 62 -1.841 -2.748 2.252 1.00 0.00 C ATOM 142 C SER A 62 -3.166 -3.500 2.336 1.00 0.00 C ATOM 143 O SER A 62 -3.191 -4.719 2.506 1.00 0.00 O ATOM 144 CB SER A 62 -1.661 -1.871 3.493 1.00 0.00 C ATOM 145 OG SER A 62 -1.325 -2.653 4.626 1.00 0.00 O ATOM 0 H SER A 62 -1.550 -0.954 1.207 1.00 0.00 H new ATOM 0 HA SER A 62 -1.031 -3.477 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.879 -1.134 3.311 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.580 -1.319 3.688 1.00 0.00 H new ATOM 0 HG SER A 62 -1.214 -2.069 5.405 1.00 0.00 H new ATOM 151 N ARG A 63 -4.266 -2.763 2.214 1.00 0.00 N ATOM 152 CA ARG A 63 -5.595 -3.359 2.277 1.00 0.00 C ATOM 153 C ARG A 63 -5.713 -4.528 1.304 1.00 0.00 C ATOM 154 O ARG A 63 -5.230 -4.461 0.173 1.00 0.00 O ATOM 155 CB ARG A 63 -6.663 -2.310 1.962 1.00 0.00 C ATOM 156 CG ARG A 63 -8.022 -2.624 2.565 1.00 0.00 C ATOM 157 CD ARG A 63 -8.863 -1.367 2.727 1.00 0.00 C ATOM 158 NE ARG A 63 -9.521 -0.985 1.481 1.00 0.00 N ATOM 159 CZ ARG A 63 -10.634 -0.261 1.429 1.00 0.00 C ATOM 160 NH1 ARG A 63 -11.209 0.157 2.548 1.00 0.00 N ATOM 161 NH2 ARG A 63 -11.173 0.047 0.256 1.00 0.00 N ATOM 0 H ARG A 63 -4.263 -1.753 2.071 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.750 -3.733 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.327 -1.340 2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.766 -2.223 0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.548 -3.336 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.889 -3.102 3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.615 -1.531 3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.229 -0.548 3.068 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.103 -1.291 0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.797 -0.077 3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.063 0.713 2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.733 -0.272 -0.607 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.027 0.603 0.218 1.00 0.00 H new ATOM 175 N THR A 64 -6.358 -5.601 1.751 1.00 0.00 N ATOM 176 CA THR A 64 -6.538 -6.786 0.922 1.00 0.00 C ATOM 177 C THR A 64 -7.675 -6.591 -0.075 1.00 0.00 C ATOM 178 O THR A 64 -7.792 -7.332 -1.052 1.00 0.00 O ATOM 179 CB THR A 64 -6.830 -8.033 1.778 1.00 0.00 C ATOM 180 OG1 THR A 64 -8.045 -7.849 2.513 1.00 0.00 O ATOM 181 CG2 THR A 64 -5.685 -8.306 2.743 1.00 0.00 C ATOM 0 H THR A 64 -6.765 -5.673 2.684 1.00 0.00 H new ATOM 0 HA THR A 64 -5.604 -6.937 0.381 1.00 0.00 H new ATOM 0 HB THR A 64 -6.935 -8.889 1.111 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.224 -8.647 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.913 -9.191 3.337 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.767 -8.474 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.554 -7.449 3.404 1.00 0.00 H new ATOM 189 N THR A 65 -8.512 -5.590 0.177 1.00 0.00 N ATOM 190 CA THR A 65 -9.640 -5.298 -0.699 1.00 0.00 C ATOM 191 C THR A 65 -9.270 -4.250 -1.742 1.00 0.00 C ATOM 192 O THR A 65 -9.743 -4.296 -2.878 1.00 0.00 O ATOM 193 CB THR A 65 -10.858 -4.801 0.102 1.00 0.00 C ATOM 194 OG1 THR A 65 -10.513 -3.621 0.837 1.00 0.00 O ATOM 195 CG2 THR A 65 -11.352 -5.875 1.059 1.00 0.00 C ATOM 0 H THR A 65 -8.430 -4.967 0.981 1.00 0.00 H new ATOM 0 HA THR A 65 -9.900 -6.230 -1.201 1.00 0.00 H new ATOM 0 HB THR A 65 -11.657 -4.569 -0.602 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.293 -3.310 1.342 1.00 0.00 H new ATOM 0 HG21 THR A 65 -12.213 -5.500 1.613 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.642 -6.761 0.494 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.556 -6.135 1.757 1.00 0.00 H new ATOM 203 N CYS A 66 -8.420 -3.307 -1.351 1.00 0.00 N ATOM 204 CA CYS A 66 -7.985 -2.247 -2.252 1.00 0.00 C ATOM 205 C CYS A 66 -7.169 -2.817 -3.409 1.00 0.00 C ATOM 206 O CYS A 66 -7.609 -2.803 -4.558 1.00 0.00 O ATOM 207 CB CYS A 66 -7.156 -1.210 -1.491 1.00 0.00 C ATOM 208 SG CYS A 66 -7.014 0.396 -2.340 1.00 0.00 S ATOM 0 H CYS A 66 -8.018 -3.255 -0.415 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.873 -1.764 -2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -7.603 -1.052 -0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.156 -1.611 -1.325 1.00 0.00 H new ATOM 213 N ARG A 67 -5.979 -3.317 -3.095 1.00 0.00 N ATOM 214 CA ARG A 67 -5.101 -3.892 -4.108 1.00 0.00 C ATOM 215 C ARG A 67 -4.787 -2.871 -5.198 1.00 0.00 C ATOM 216 O ARG A 67 -4.818 -3.188 -6.387 1.00 0.00 O ATOM 217 CB ARG A 67 -5.745 -5.133 -4.727 1.00 0.00 C ATOM 218 CG ARG A 67 -6.074 -6.218 -3.714 1.00 0.00 C ATOM 219 CD ARG A 67 -4.839 -7.018 -3.333 1.00 0.00 C ATOM 220 NE ARG A 67 -4.109 -6.405 -2.226 1.00 0.00 N ATOM 221 CZ ARG A 67 -3.048 -6.958 -1.649 1.00 0.00 C ATOM 222 NH1 ARG A 67 -2.595 -8.129 -2.073 1.00 0.00 N ATOM 223 NH2 ARG A 67 -2.438 -6.338 -0.647 1.00 0.00 N ATOM 0 H ARG A 67 -5.600 -3.336 -2.148 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.168 -4.179 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.660 -4.839 -5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.073 -5.543 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.505 -5.765 -2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.829 -6.887 -4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.134 -8.030 -3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.181 -7.103 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.432 -5.503 -1.877 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.061 -8.607 -2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.780 -8.552 -1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.784 -5.436 -0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.623 -6.763 -0.204 1.00 0.00 H new ATOM 237 N ALA A 68 -4.487 -1.644 -4.784 1.00 0.00 N ATOM 238 CA ALA A 68 -4.167 -0.577 -5.725 1.00 0.00 C ATOM 239 C ALA A 68 -2.659 -0.384 -5.843 1.00 0.00 C ATOM 240 O ALA A 68 -2.027 0.200 -4.962 1.00 0.00 O ATOM 241 CB ALA A 68 -4.836 0.721 -5.298 1.00 0.00 C ATOM 0 H ALA A 68 -4.459 -1.364 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.548 -0.863 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.589 1.509 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.917 0.582 -5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.483 1.003 -4.306 1.00 0.00 H new ATOM 247 N VAL A 69 -2.088 -0.878 -6.936 1.00 0.00 N ATOM 248 CA VAL A 69 -0.653 -0.759 -7.170 1.00 0.00 C ATOM 249 C VAL A 69 -0.224 0.703 -7.221 1.00 0.00 C ATOM 250 O VAL A 69 -0.954 1.559 -7.723 1.00 0.00 O ATOM 251 CB VAL A 69 -0.239 -1.450 -8.482 1.00 0.00 C ATOM 252 CG1 VAL A 69 -0.990 -0.851 -9.661 1.00 0.00 C ATOM 253 CG2 VAL A 69 1.265 -1.344 -8.688 1.00 0.00 C ATOM 0 H VAL A 69 -2.597 -1.365 -7.674 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.154 -1.252 -6.336 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.500 -2.506 -8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.684 -1.352 -10.580 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.062 -0.984 -9.515 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.763 0.212 -9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.540 -1.838 -9.620 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.553 -0.294 -8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.781 -1.825 -7.857 1.00 0.00 H new ATOM 263 N LEU A 70 0.964 0.984 -6.698 1.00 0.00 N ATOM 264 CA LEU A 70 1.492 2.344 -6.684 1.00 0.00 C ATOM 265 C LEU A 70 1.094 3.096 -7.950 1.00 0.00 C ATOM 266 O LEU A 70 1.444 2.692 -9.059 1.00 0.00 O ATOM 267 CB LEU A 70 3.016 2.319 -6.550 1.00 0.00 C ATOM 268 CG LEU A 70 3.690 3.669 -6.301 1.00 0.00 C ATOM 269 CD1 LEU A 70 3.177 4.293 -5.013 1.00 0.00 C ATOM 270 CD2 LEU A 70 5.202 3.509 -6.254 1.00 0.00 C ATOM 0 H LEU A 70 1.580 0.288 -6.278 1.00 0.00 H new ATOM 0 HA LEU A 70 1.066 2.864 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.278 1.648 -5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.434 1.889 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 70 3.441 4.336 -7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.668 5.253 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.100 4.444 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.395 3.630 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.665 4.479 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.471 2.826 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.555 3.107 -7.204 1.00 0.00 H new ATOM 282 N ASN A 71 0.363 4.192 -7.777 1.00 0.00 N ATOM 283 CA ASN A 71 -0.081 5.001 -8.906 1.00 0.00 C ATOM 284 C ASN A 71 0.201 6.480 -8.659 1.00 0.00 C ATOM 285 O ASN A 71 0.324 6.933 -7.521 1.00 0.00 O ATOM 286 CB ASN A 71 -1.576 4.790 -9.154 1.00 0.00 C ATOM 287 CG ASN A 71 -2.382 4.791 -7.870 1.00 0.00 C ATOM 288 OD1 ASN A 71 -1.851 4.525 -6.791 1.00 0.00 O ATOM 289 ND2 ASN A 71 -3.671 5.091 -7.980 1.00 0.00 N ATOM 0 H ASN A 71 0.065 4.540 -6.866 1.00 0.00 H new ATOM 0 HA ASN A 71 0.475 4.686 -9.789 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.946 5.576 -9.813 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.725 3.843 -9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.263 5.108 -7.150 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.069 5.305 -8.895 1.00 0.00 H new ATOM 296 N PRO A 72 0.306 7.253 -9.750 1.00 0.00 N ATOM 297 CA PRO A 72 0.573 8.692 -9.679 1.00 0.00 C ATOM 298 C PRO A 72 -0.610 9.474 -9.119 1.00 0.00 C ATOM 299 O PRO A 72 -0.572 10.703 -9.036 1.00 0.00 O ATOM 300 CB PRO A 72 0.828 9.079 -11.138 1.00 0.00 C ATOM 301 CG PRO A 72 0.096 8.054 -11.934 1.00 0.00 C ATOM 302 CD PRO A 72 0.171 6.780 -11.139 1.00 0.00 C ATOM 0 HA PRO A 72 1.405 8.919 -9.012 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.461 10.083 -11.352 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.893 9.073 -11.369 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.940 8.352 -12.096 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.549 7.927 -12.917 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.723 6.171 -11.271 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.021 6.168 -11.440 1.00 0.00 H new ATOM 310 N LEU A 73 -1.659 8.756 -8.735 1.00 0.00 N ATOM 311 CA LEU A 73 -2.854 9.384 -8.181 1.00 0.00 C ATOM 312 C LEU A 73 -2.762 9.486 -6.662 1.00 0.00 C ATOM 313 O LEU A 73 -3.204 10.470 -6.068 1.00 0.00 O ATOM 314 CB LEU A 73 -4.100 8.589 -8.576 1.00 0.00 C ATOM 315 CG LEU A 73 -4.714 8.933 -9.933 1.00 0.00 C ATOM 316 CD1 LEU A 73 -5.610 7.803 -10.416 1.00 0.00 C ATOM 317 CD2 LEU A 73 -5.494 10.237 -9.852 1.00 0.00 C ATOM 0 H LEU A 73 -1.707 7.739 -8.797 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.928 10.392 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.846 7.529 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.859 8.737 -7.808 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.906 9.061 -10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.038 8.066 -11.383 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.023 6.890 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.412 7.642 -9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.924 10.465 -10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.293 10.138 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.825 11.043 -9.553 1.00 0.00 H new ATOM 329 N CYS A 74 -2.183 8.465 -6.040 1.00 0.00 N ATOM 330 CA CYS A 74 -2.031 8.440 -4.590 1.00 0.00 C ATOM 331 C CYS A 74 -1.217 9.636 -4.108 1.00 0.00 C ATOM 332 O CYS A 74 -0.531 10.288 -4.894 1.00 0.00 O ATOM 333 CB CYS A 74 -1.359 7.139 -4.149 1.00 0.00 C ATOM 334 SG CYS A 74 -2.411 5.676 -4.300 1.00 0.00 S ATOM 0 H CYS A 74 -1.811 7.644 -6.517 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.024 8.496 -4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.458 6.988 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.042 7.240 -3.111 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.239 5.137 -5.470 1.00 0.00 H new ATOM 340 N GLN A 75 -1.300 9.918 -2.812 1.00 0.00 N ATOM 341 CA GLN A 75 -0.572 11.038 -2.226 1.00 0.00 C ATOM 342 C GLN A 75 0.693 10.557 -1.523 1.00 0.00 C ATOM 343 O GLN A 75 0.641 10.067 -0.395 1.00 0.00 O ATOM 344 CB GLN A 75 -1.464 11.792 -1.237 1.00 0.00 C ATOM 345 CG GLN A 75 -2.542 12.628 -1.906 1.00 0.00 C ATOM 346 CD GLN A 75 -1.972 13.683 -2.833 1.00 0.00 C ATOM 347 OE1 GLN A 75 -1.380 14.665 -2.385 1.00 0.00 O ATOM 348 NE2 GLN A 75 -2.147 13.486 -4.134 1.00 0.00 N ATOM 0 H GLN A 75 -1.863 9.387 -2.148 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.284 11.713 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.936 11.074 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.842 12.442 -0.621 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.205 11.973 -2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.148 13.112 -1.140 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.644 12.658 -4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.785 14.163 -4.806 1.00 0.00 H new ATOM 357 N VAL A 76 1.829 10.700 -2.199 1.00 0.00 N ATOM 358 CA VAL A 76 3.109 10.281 -1.639 1.00 0.00 C ATOM 359 C VAL A 76 3.668 11.338 -0.693 1.00 0.00 C ATOM 360 O VAL A 76 3.777 12.511 -1.051 1.00 0.00 O ATOM 361 CB VAL A 76 4.142 10.002 -2.747 1.00 0.00 C ATOM 362 CG1 VAL A 76 5.465 9.555 -2.144 1.00 0.00 C ATOM 363 CG2 VAL A 76 3.611 8.960 -3.720 1.00 0.00 C ATOM 0 H VAL A 76 1.889 11.102 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 76 2.925 9.361 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 76 4.316 10.926 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.182 9.363 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.850 10.338 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.312 8.643 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.354 8.775 -4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.407 8.033 -3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.691 9.325 -4.177 1.00 0.00 H new ATOM 373 N ASP A 77 4.020 10.915 0.516 1.00 0.00 N ATOM 374 CA ASP A 77 4.570 11.824 1.514 1.00 0.00 C ATOM 375 C ASP A 77 6.058 11.563 1.727 1.00 0.00 C ATOM 376 O ASP A 77 6.467 11.056 2.771 1.00 0.00 O ATOM 377 CB ASP A 77 3.819 11.676 2.838 1.00 0.00 C ATOM 378 CG ASP A 77 3.796 12.964 3.638 1.00 0.00 C ATOM 379 OD1 ASP A 77 3.701 14.044 3.020 1.00 0.00 O ATOM 380 OD2 ASP A 77 3.874 12.891 4.883 1.00 0.00 O ATOM 0 H ASP A 77 3.934 9.948 0.829 1.00 0.00 H new ATOM 0 HA ASP A 77 4.448 12.843 1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.796 11.357 2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.287 10.891 3.432 1.00 0.00 H new ATOM 385 N TYR A 78 6.863 11.913 0.729 1.00 0.00 N ATOM 386 CA TYR A 78 8.305 11.713 0.805 1.00 0.00 C ATOM 387 C TYR A 78 8.842 12.136 2.169 1.00 0.00 C ATOM 388 O TYR A 78 9.809 11.563 2.673 1.00 0.00 O ATOM 389 CB TYR A 78 9.009 12.502 -0.300 1.00 0.00 C ATOM 390 CG TYR A 78 8.457 12.234 -1.681 1.00 0.00 C ATOM 391 CD1 TYR A 78 8.508 10.961 -2.236 1.00 0.00 C ATOM 392 CD2 TYR A 78 7.884 13.253 -2.432 1.00 0.00 C ATOM 393 CE1 TYR A 78 8.006 10.711 -3.498 1.00 0.00 C ATOM 394 CE2 TYR A 78 7.378 13.012 -3.695 1.00 0.00 C ATOM 395 CZ TYR A 78 7.441 11.740 -4.224 1.00 0.00 C ATOM 396 OH TYR A 78 6.939 11.495 -5.481 1.00 0.00 O ATOM 0 H TYR A 78 6.541 12.336 -0.141 1.00 0.00 H new ATOM 0 HA TYR A 78 8.507 10.651 0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.924 13.567 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.071 12.258 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.948 10.153 -1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.833 14.251 -2.021 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.055 9.716 -3.915 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.935 13.816 -4.265 1.00 0.00 H new ATOM 0 HH TYR A 78 6.576 12.325 -5.856 1.00 0.00 H new ATOM 406 N ARG A 79 8.208 13.143 2.761 1.00 0.00 N ATOM 407 CA ARG A 79 8.622 13.644 4.066 1.00 0.00 C ATOM 408 C ARG A 79 8.566 12.538 5.116 1.00 0.00 C ATOM 409 O ARG A 79 9.560 12.249 5.781 1.00 0.00 O ATOM 410 CB ARG A 79 7.732 14.813 4.493 1.00 0.00 C ATOM 411 CG ARG A 79 8.083 16.126 3.813 1.00 0.00 C ATOM 412 CD ARG A 79 9.379 16.706 4.356 1.00 0.00 C ATOM 413 NE ARG A 79 9.268 17.066 5.768 1.00 0.00 N ATOM 414 CZ ARG A 79 10.314 17.203 6.575 1.00 0.00 C ATOM 415 NH1 ARG A 79 11.542 17.012 6.114 1.00 0.00 N ATOM 416 NH2 ARG A 79 10.132 17.533 7.848 1.00 0.00 N ATOM 0 H ARG A 79 7.406 13.628 2.358 1.00 0.00 H new ATOM 0 HA ARG A 79 9.652 13.991 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.693 14.567 4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.808 14.941 5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.176 15.967 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.273 16.841 3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.182 15.980 4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.652 17.588 3.777 1.00 0.00 H new ATOM 0 HE ARG A 79 8.337 17.220 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.686 16.759 5.136 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.343 17.118 6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.189 17.681 8.207 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.935 17.638 8.467 1.00 0.00 H new ATOM 430 N ALA A 80 7.396 11.924 5.259 1.00 0.00 N ATOM 431 CA ALA A 80 7.210 10.850 6.227 1.00 0.00 C ATOM 432 C ALA A 80 7.359 9.484 5.565 1.00 0.00 C ATOM 433 O ALA A 80 6.746 8.505 5.992 1.00 0.00 O ATOM 434 CB ALA A 80 5.848 10.970 6.894 1.00 0.00 C ATOM 0 H ALA A 80 6.563 12.152 4.717 1.00 0.00 H new ATOM 0 HA ALA A 80 7.984 10.942 6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.723 10.161 7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.778 11.928 7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.066 10.906 6.138 1.00 0.00 H new ATOM 440 N LYS A 81 8.176 9.424 4.519 1.00 0.00 N ATOM 441 CA LYS A 81 8.407 8.178 3.798 1.00 0.00 C ATOM 442 C LYS A 81 7.138 7.333 3.753 1.00 0.00 C ATOM 443 O LYS A 81 7.197 6.103 3.786 1.00 0.00 O ATOM 444 CB LYS A 81 9.537 7.385 4.457 1.00 0.00 C ATOM 445 CG LYS A 81 10.922 7.923 4.141 1.00 0.00 C ATOM 446 CD LYS A 81 11.475 7.321 2.860 1.00 0.00 C ATOM 447 CE LYS A 81 11.056 8.127 1.639 1.00 0.00 C ATOM 448 NZ LYS A 81 12.057 8.030 0.541 1.00 0.00 N ATOM 0 H LYS A 81 8.690 10.225 4.151 1.00 0.00 H new ATOM 0 HA LYS A 81 8.694 8.426 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.392 7.391 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.477 6.346 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.879 9.008 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.596 7.703 4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.563 7.281 2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.123 6.294 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.090 7.770 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.926 9.172 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.735 8.592 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.973 8.394 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.163 7.036 0.255 1.00 0.00 H new ATOM 462 N LEU A 82 5.991 7.999 3.675 1.00 0.00 N ATOM 463 CA LEU A 82 4.707 7.309 3.624 1.00 0.00 C ATOM 464 C LEU A 82 3.990 7.590 2.307 1.00 0.00 C ATOM 465 O LEU A 82 4.427 8.427 1.518 1.00 0.00 O ATOM 466 CB LEU A 82 3.827 7.739 4.798 1.00 0.00 C ATOM 467 CG LEU A 82 3.997 6.942 6.092 1.00 0.00 C ATOM 468 CD1 LEU A 82 3.427 7.713 7.273 1.00 0.00 C ATOM 469 CD2 LEU A 82 3.332 5.579 5.971 1.00 0.00 C ATOM 0 H LEU A 82 5.924 9.016 3.646 1.00 0.00 H new ATOM 0 HA LEU A 82 4.896 6.238 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.029 8.788 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.784 7.672 4.488 1.00 0.00 H new ATOM 0 HG LEU A 82 5.062 6.789 6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.557 7.130 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.950 8.664 7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.365 7.898 7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.463 5.026 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.268 5.710 5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.788 5.023 5.151 1.00 0.00 H new ATOM 481 N TRP A 83 2.887 6.886 2.078 1.00 0.00 N ATOM 482 CA TRP A 83 2.109 7.061 0.857 1.00 0.00 C ATOM 483 C TRP A 83 0.635 6.757 1.103 1.00 0.00 C ATOM 484 O TRP A 83 0.246 5.597 1.240 1.00 0.00 O ATOM 485 CB TRP A 83 2.651 6.159 -0.252 1.00 0.00 C ATOM 486 CG TRP A 83 2.321 4.710 -0.054 1.00 0.00 C ATOM 487 CD1 TRP A 83 3.027 3.802 0.683 1.00 0.00 C ATOM 488 CD2 TRP A 83 1.203 4.003 -0.601 1.00 0.00 C ATOM 489 NE1 TRP A 83 2.415 2.573 0.626 1.00 0.00 N ATOM 490 CE2 TRP A 83 1.293 2.670 -0.154 1.00 0.00 C ATOM 491 CE3 TRP A 83 0.133 4.367 -1.423 1.00 0.00 C ATOM 492 CZ2 TRP A 83 0.355 1.703 -0.504 1.00 0.00 C ATOM 493 CZ3 TRP A 83 -0.797 3.405 -1.770 1.00 0.00 C ATOM 494 CH2 TRP A 83 -0.682 2.086 -1.310 1.00 0.00 C ATOM 0 H TRP A 83 2.512 6.189 2.721 1.00 0.00 H new ATOM 0 HA TRP A 83 2.199 8.101 0.544 1.00 0.00 H new ATOM 0 HB2 TRP A 83 2.247 6.489 -1.209 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.734 6.273 -0.307 1.00 0.00 H new ATOM 0 HD1 TRP A 83 3.933 4.018 1.230 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.743 1.726 1.089 1.00 0.00 H new ATOM 0 HE3 TRP A 83 0.035 5.381 -1.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 0.443 0.686 -0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -1.627 3.674 -2.407 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.426 1.358 -1.597 1.00 0.00 H new ATOM 505 N ALA A 84 -0.180 7.804 1.159 1.00 0.00 N ATOM 506 CA ALA A 84 -1.612 7.647 1.386 1.00 0.00 C ATOM 507 C ALA A 84 -2.334 7.271 0.097 1.00 0.00 C ATOM 508 O ALA A 84 -2.123 7.887 -0.948 1.00 0.00 O ATOM 509 CB ALA A 84 -2.197 8.926 1.967 1.00 0.00 C ATOM 0 H ALA A 84 0.126 8.771 1.050 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.755 6.837 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.267 8.795 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.709 9.151 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.035 9.749 1.271 1.00 0.00 H new ATOM 515 N CYS A 85 -3.187 6.255 0.178 1.00 0.00 N ATOM 516 CA CYS A 85 -3.940 5.795 -0.982 1.00 0.00 C ATOM 517 C CYS A 85 -5.005 6.813 -1.379 1.00 0.00 C ATOM 518 O CYS A 85 -5.484 7.582 -0.546 1.00 0.00 O ATOM 519 CB CYS A 85 -4.596 4.444 -0.688 1.00 0.00 C ATOM 520 SG CYS A 85 -4.962 3.455 -2.174 1.00 0.00 S ATOM 0 H CYS A 85 -3.374 5.735 1.035 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.244 5.681 -1.813 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -3.941 3.869 -0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -5.523 4.614 -0.140 1.00 0.00 H new ATOM 525 N ASN A 86 -5.370 6.812 -2.657 1.00 0.00 N ATOM 526 CA ASN A 86 -6.378 7.736 -3.164 1.00 0.00 C ATOM 527 C ASN A 86 -7.766 7.105 -3.122 1.00 0.00 C ATOM 528 O ASN A 86 -8.777 7.805 -3.053 1.00 0.00 O ATOM 529 CB ASN A 86 -6.040 8.156 -4.597 1.00 0.00 C ATOM 530 CG ASN A 86 -6.650 7.228 -5.630 1.00 0.00 C ATOM 531 OD1 ASN A 86 -7.807 7.390 -6.020 1.00 0.00 O ATOM 532 ND2 ASN A 86 -5.873 6.249 -6.078 1.00 0.00 N ATOM 0 H ASN A 86 -4.983 6.182 -3.360 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.380 8.618 -2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.397 9.171 -4.769 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.957 8.173 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.229 5.593 -6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.920 6.153 -5.727 1.00 0.00 H new ATOM 539 N PHE A 87 -7.807 5.777 -3.162 1.00 0.00 N ATOM 540 CA PHE A 87 -9.071 5.050 -3.128 1.00 0.00 C ATOM 541 C PHE A 87 -9.478 4.734 -1.692 1.00 0.00 C ATOM 542 O PHE A 87 -10.368 5.375 -1.132 1.00 0.00 O ATOM 543 CB PHE A 87 -8.961 3.755 -3.936 1.00 0.00 C ATOM 544 CG PHE A 87 -8.688 3.980 -5.396 1.00 0.00 C ATOM 545 CD1 PHE A 87 -9.592 4.675 -6.184 1.00 0.00 C ATOM 546 CD2 PHE A 87 -7.528 3.498 -5.980 1.00 0.00 C ATOM 547 CE1 PHE A 87 -9.344 4.883 -7.527 1.00 0.00 C ATOM 548 CE2 PHE A 87 -7.275 3.703 -7.323 1.00 0.00 C ATOM 549 CZ PHE A 87 -8.184 4.397 -8.097 1.00 0.00 C ATOM 0 H PHE A 87 -6.980 5.183 -3.218 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.838 5.684 -3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.164 3.141 -3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.888 3.191 -3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.500 5.058 -5.743 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.813 2.956 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -10.057 5.425 -8.131 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.368 3.321 -7.767 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.988 4.559 -9.147 1.00 0.00 H new ATOM 559 N CYS A 88 -8.822 3.741 -1.102 1.00 0.00 N ATOM 560 CA CYS A 88 -9.115 3.337 0.268 1.00 0.00 C ATOM 561 C CYS A 88 -8.785 4.460 1.247 1.00 0.00 C ATOM 562 O CYS A 88 -9.413 4.584 2.299 1.00 0.00 O ATOM 563 CB CYS A 88 -8.323 2.079 0.631 1.00 0.00 C ATOM 564 SG CYS A 88 -6.551 2.376 0.929 1.00 0.00 S ATOM 0 H CYS A 88 -8.083 3.200 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.181 3.119 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -8.761 1.632 1.524 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -8.428 1.352 -0.174 1.00 0.00 H new ATOM 569 N TYR A 89 -7.797 5.274 0.895 1.00 0.00 N ATOM 570 CA TYR A 89 -7.382 6.385 1.743 1.00 0.00 C ATOM 571 C TYR A 89 -6.730 5.877 3.026 1.00 0.00 C ATOM 572 O TYR A 89 -7.065 6.323 4.123 1.00 0.00 O ATOM 573 CB TYR A 89 -8.582 7.269 2.084 1.00 0.00 C ATOM 574 CG TYR A 89 -8.208 8.696 2.418 1.00 0.00 C ATOM 575 CD1 TYR A 89 -7.550 9.497 1.493 1.00 0.00 C ATOM 576 CD2 TYR A 89 -8.513 9.242 3.659 1.00 0.00 C ATOM 577 CE1 TYR A 89 -7.205 10.800 1.795 1.00 0.00 C ATOM 578 CE2 TYR A 89 -8.173 10.545 3.968 1.00 0.00 C ATOM 579 CZ TYR A 89 -7.519 11.320 3.033 1.00 0.00 C ATOM 580 OH TYR A 89 -7.179 12.618 3.337 1.00 0.00 O ATOM 0 H TYR A 89 -7.268 5.186 0.027 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.649 6.975 1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.272 7.271 1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -9.114 6.834 2.930 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.304 9.094 0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.024 8.638 4.394 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.692 11.409 1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.418 10.955 4.937 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.473 12.828 4.248 1.00 0.00 H new ATOM 590 N GLN A 90 -5.797 4.942 2.878 1.00 0.00 N ATOM 591 CA GLN A 90 -5.098 4.372 4.023 1.00 0.00 C ATOM 592 C GLN A 90 -3.589 4.544 3.881 1.00 0.00 C ATOM 593 O GLN A 90 -2.998 4.122 2.887 1.00 0.00 O ATOM 594 CB GLN A 90 -5.442 2.889 4.173 1.00 0.00 C ATOM 595 CG GLN A 90 -4.571 2.161 5.183 1.00 0.00 C ATOM 596 CD GLN A 90 -4.858 2.581 6.611 1.00 0.00 C ATOM 597 OE1 GLN A 90 -6.015 2.725 7.007 1.00 0.00 O ATOM 598 NE2 GLN A 90 -3.804 2.780 7.394 1.00 0.00 N ATOM 0 H GLN A 90 -5.508 4.563 1.976 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.424 4.905 4.916 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.486 2.795 4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.343 2.402 3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.729 1.087 5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.522 2.351 4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.862 2.649 7.025 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.936 3.064 8.365 1.00 0.00 H new ATOM 607 N ARG A 91 -2.973 5.168 4.880 1.00 0.00 N ATOM 608 CA ARG A 91 -1.533 5.397 4.864 1.00 0.00 C ATOM 609 C ARG A 91 -0.772 4.088 5.054 1.00 0.00 C ATOM 610 O ARG A 91 -1.067 3.313 5.963 1.00 0.00 O ATOM 611 CB ARG A 91 -1.142 6.390 5.960 1.00 0.00 C ATOM 612 CG ARG A 91 -1.163 7.840 5.504 1.00 0.00 C ATOM 613 CD ARG A 91 0.169 8.253 4.897 1.00 0.00 C ATOM 614 NE ARG A 91 0.055 9.477 4.109 1.00 0.00 N ATOM 615 CZ ARG A 91 0.130 10.696 4.631 1.00 0.00 C ATOM 616 NH1 ARG A 91 0.318 10.853 5.934 1.00 0.00 N ATOM 617 NH2 ARG A 91 0.018 11.762 3.849 1.00 0.00 N ATOM 0 H ARG A 91 -3.448 5.524 5.710 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.267 5.814 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.822 6.273 6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.143 6.146 6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.957 7.980 4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.394 8.486 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.900 8.401 5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.544 7.448 4.265 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.090 9.391 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.406 10.036 6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.375 11.791 6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.126 11.646 2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.076 12.698 4.251 1.00 0.00 H new ATOM 631 N ASN A 92 0.208 3.848 4.188 1.00 0.00 N ATOM 632 CA ASN A 92 1.011 2.633 4.260 1.00 0.00 C ATOM 633 C ASN A 92 2.496 2.953 4.127 1.00 0.00 C ATOM 634 O ASN A 92 2.880 3.868 3.399 1.00 0.00 O ATOM 635 CB ASN A 92 0.589 1.653 3.163 1.00 0.00 C ATOM 636 CG ASN A 92 -0.912 1.441 3.123 1.00 0.00 C ATOM 637 OD1 ASN A 92 -1.492 0.854 4.037 1.00 0.00 O ATOM 638 ND2 ASN A 92 -1.549 1.920 2.061 1.00 0.00 N ATOM 0 H ASN A 92 0.465 4.479 3.429 1.00 0.00 H new ATOM 0 HA ASN A 92 0.843 2.173 5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.926 2.027 2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.084 0.696 3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.560 1.808 1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.028 2.400 1.327 1.00 0.00 H new ATOM 645 N GLN A 93 3.326 2.194 4.835 1.00 0.00 N ATOM 646 CA GLN A 93 4.769 2.397 4.796 1.00 0.00 C ATOM 647 C GLN A 93 5.360 1.858 3.497 1.00 0.00 C ATOM 648 O GLN A 93 4.854 0.890 2.928 1.00 0.00 O ATOM 649 CB GLN A 93 5.434 1.717 5.994 1.00 0.00 C ATOM 650 CG GLN A 93 5.303 2.502 7.289 1.00 0.00 C ATOM 651 CD GLN A 93 6.376 2.144 8.299 1.00 0.00 C ATOM 652 OE1 GLN A 93 6.116 1.440 9.275 1.00 0.00 O ATOM 653 NE2 GLN A 93 7.590 2.630 8.069 1.00 0.00 N ATOM 0 H GLN A 93 3.024 1.433 5.443 1.00 0.00 H new ATOM 0 HA GLN A 93 4.961 3.469 4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.993 0.729 6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.491 1.567 5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.357 3.568 7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.322 2.315 7.725 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.760 3.209 7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.353 2.424 8.714 1.00 0.00 H new ATOM 662 N PHE A 94 6.433 2.490 3.034 1.00 0.00 N ATOM 663 CA PHE A 94 7.092 2.075 1.801 1.00 0.00 C ATOM 664 C PHE A 94 7.576 0.631 1.903 1.00 0.00 C ATOM 665 O PHE A 94 7.940 0.146 2.975 1.00 0.00 O ATOM 666 CB PHE A 94 8.271 2.999 1.492 1.00 0.00 C ATOM 667 CG PHE A 94 7.874 4.259 0.776 1.00 0.00 C ATOM 668 CD1 PHE A 94 7.175 4.201 -0.419 1.00 0.00 C ATOM 669 CD2 PHE A 94 8.199 5.500 1.299 1.00 0.00 C ATOM 670 CE1 PHE A 94 6.809 5.358 -1.080 1.00 0.00 C ATOM 671 CE2 PHE A 94 7.835 6.661 0.643 1.00 0.00 C ATOM 672 CZ PHE A 94 7.138 6.590 -0.548 1.00 0.00 C ATOM 0 H PHE A 94 6.865 3.291 3.494 1.00 0.00 H new ATOM 0 HA PHE A 94 6.366 2.140 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.770 3.262 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.996 2.458 0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.913 3.241 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.743 5.561 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.266 5.299 -2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.095 7.622 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.851 7.496 -1.062 1.00 0.00 H new ATOM 682 N PRO A 95 7.580 -0.073 0.761 1.00 0.00 N ATOM 683 CA PRO A 95 8.017 -1.471 0.695 1.00 0.00 C ATOM 684 C PRO A 95 9.519 -1.620 0.907 1.00 0.00 C ATOM 685 O PRO A 95 10.280 -0.655 0.829 1.00 0.00 O ATOM 686 CB PRO A 95 7.632 -1.896 -0.724 1.00 0.00 C ATOM 687 CG PRO A 95 7.614 -0.628 -1.507 1.00 0.00 C ATOM 688 CD PRO A 95 7.160 0.441 -0.553 1.00 0.00 C ATOM 0 HA PRO A 95 7.559 -2.078 1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.352 -2.604 -1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.658 -2.385 -0.740 1.00 0.00 H new ATOM 0 HG2 PRO A 95 8.603 -0.401 -1.905 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.937 -0.704 -2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.624 1.402 -0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 95 6.081 0.590 -0.600 1.00 0.00 H new ATOM 696 N PRO A 96 9.959 -2.856 1.182 1.00 0.00 N ATOM 697 CA PRO A 96 11.375 -3.161 1.410 1.00 0.00 C ATOM 698 C PRO A 96 12.206 -3.042 0.137 1.00 0.00 C ATOM 699 O PRO A 96 13.398 -2.738 0.188 1.00 0.00 O ATOM 700 CB PRO A 96 11.352 -4.610 1.900 1.00 0.00 C ATOM 701 CG PRO A 96 10.101 -5.183 1.330 1.00 0.00 C ATOM 702 CD PRO A 96 9.109 -4.054 1.290 1.00 0.00 C ATOM 0 HA PRO A 96 11.833 -2.466 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.230 -5.158 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.350 -4.660 2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.275 -5.585 0.332 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.733 -6.004 1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.432 -4.144 0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.492 -4.029 2.188 1.00 0.00 H new ATOM 710 N SER A 97 11.569 -3.283 -1.005 1.00 0.00 N ATOM 711 CA SER A 97 12.251 -3.206 -2.292 1.00 0.00 C ATOM 712 C SER A 97 11.648 -2.107 -3.161 1.00 0.00 C ATOM 713 O SER A 97 10.702 -2.343 -3.914 1.00 0.00 O ATOM 714 CB SER A 97 12.167 -4.550 -3.018 1.00 0.00 C ATOM 715 OG SER A 97 12.595 -5.610 -2.181 1.00 0.00 O ATOM 0 H SER A 97 10.582 -3.533 -1.065 1.00 0.00 H new ATOM 0 HA SER A 97 13.298 -2.966 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.141 -4.729 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 97 12.783 -4.521 -3.917 1.00 0.00 H new ATOM 0 HG SER A 97 12.530 -6.458 -2.668 1.00 0.00 H new ATOM 721 N TYR A 98 12.201 -0.904 -3.051 1.00 0.00 N ATOM 722 CA TYR A 98 11.718 0.233 -3.825 1.00 0.00 C ATOM 723 C TYR A 98 12.864 0.915 -4.566 1.00 0.00 C ATOM 724 O TYR A 98 12.938 2.142 -4.623 1.00 0.00 O ATOM 725 CB TYR A 98 11.018 1.239 -2.909 1.00 0.00 C ATOM 726 CG TYR A 98 11.968 2.183 -2.207 1.00 0.00 C ATOM 727 CD1 TYR A 98 12.738 1.753 -1.134 1.00 0.00 C ATOM 728 CD2 TYR A 98 12.095 3.504 -2.617 1.00 0.00 C ATOM 729 CE1 TYR A 98 13.608 2.612 -0.489 1.00 0.00 C ATOM 730 CE2 TYR A 98 12.963 4.369 -1.980 1.00 0.00 C ATOM 731 CZ TYR A 98 13.717 3.919 -0.916 1.00 0.00 C ATOM 732 OH TYR A 98 14.581 4.778 -0.277 1.00 0.00 O ATOM 0 H TYR A 98 12.984 -0.691 -2.433 1.00 0.00 H new ATOM 0 HA TYR A 98 11.004 -0.138 -4.561 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.309 1.822 -3.498 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.440 0.696 -2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 98 12.656 0.730 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.505 3.861 -3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 98 14.199 2.262 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 98 13.051 5.393 -2.313 1.00 0.00 H new ATOM 0 HH TYR A 98 14.539 5.660 -0.702 1.00 0.00 H new ATOM 742 N ALA A 99 13.756 0.109 -5.132 1.00 0.00 N ATOM 743 CA ALA A 99 14.898 0.633 -5.872 1.00 0.00 C ATOM 744 C ALA A 99 14.686 0.496 -7.376 1.00 0.00 C ATOM 745 O ALA A 99 14.934 -0.561 -7.953 1.00 0.00 O ATOM 746 CB ALA A 99 16.173 -0.080 -5.449 1.00 0.00 C ATOM 0 H ALA A 99 13.710 -0.909 -5.092 1.00 0.00 H new ATOM 0 HA ALA A 99 14.995 1.694 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 99 17.017 0.321 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 99 16.339 0.074 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 99 16.077 -1.147 -5.651 1.00 0.00 H new ATOM 752 N GLY A 100 14.227 1.574 -8.005 1.00 0.00 N ATOM 753 CA GLY A 100 13.990 1.553 -9.436 1.00 0.00 C ATOM 754 C GLY A 100 12.713 2.272 -9.823 1.00 0.00 C ATOM 755 O GLY A 100 12.679 3.000 -10.815 1.00 0.00 O ATOM 0 H GLY A 100 14.015 2.461 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.834 2.016 -9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.939 0.519 -9.778 1.00 0.00 H new ATOM 759 N ILE A 101 11.659 2.067 -9.039 1.00 0.00 N ATOM 760 CA ILE A 101 10.374 2.701 -9.306 1.00 0.00 C ATOM 761 C ILE A 101 10.546 4.186 -9.608 1.00 0.00 C ATOM 762 O ILE A 101 10.976 4.958 -8.752 1.00 0.00 O ATOM 763 CB ILE A 101 9.409 2.539 -8.117 1.00 0.00 C ATOM 764 CG1 ILE A 101 9.078 1.061 -7.898 1.00 0.00 C ATOM 765 CG2 ILE A 101 8.139 3.343 -8.353 1.00 0.00 C ATOM 766 CD1 ILE A 101 10.025 0.364 -6.947 1.00 0.00 C ATOM 0 H ILE A 101 11.670 1.467 -8.214 1.00 0.00 H new ATOM 0 HA ILE A 101 9.951 2.202 -10.178 1.00 0.00 H new ATOM 0 HB ILE A 101 9.895 2.920 -7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.062 0.978 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.097 0.547 -8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.467 3.219 -7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.391 4.397 -8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.648 2.990 -9.260 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.730 -0.680 -6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.040 0.415 -7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.989 0.853 -5.974 1.00 0.00 H new ATOM 778 N SER A 102 10.206 4.578 -10.832 1.00 0.00 N ATOM 779 CA SER A 102 10.324 5.970 -11.249 1.00 0.00 C ATOM 780 C SER A 102 9.469 6.876 -10.367 1.00 0.00 C ATOM 781 O SER A 102 9.924 7.925 -9.912 1.00 0.00 O ATOM 782 CB SER A 102 9.908 6.124 -12.713 1.00 0.00 C ATOM 783 OG SER A 102 10.342 7.366 -13.239 1.00 0.00 O ATOM 0 H SER A 102 9.847 3.951 -11.552 1.00 0.00 H new ATOM 0 HA SER A 102 11.367 6.268 -11.143 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.329 5.309 -13.302 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.824 6.049 -12.796 1.00 0.00 H new ATOM 0 HG SER A 102 10.065 7.439 -14.176 1.00 0.00 H new ATOM 789 N GLU A 103 8.228 6.461 -10.132 1.00 0.00 N ATOM 790 CA GLU A 103 7.309 7.235 -9.306 1.00 0.00 C ATOM 791 C GLU A 103 8.001 7.730 -8.038 1.00 0.00 C ATOM 792 O GLU A 103 7.827 8.879 -7.631 1.00 0.00 O ATOM 793 CB GLU A 103 6.087 6.392 -8.937 1.00 0.00 C ATOM 794 CG GLU A 103 4.980 6.436 -9.977 1.00 0.00 C ATOM 795 CD GLU A 103 4.509 7.848 -10.268 1.00 0.00 C ATOM 796 OE1 GLU A 103 4.176 8.573 -9.307 1.00 0.00 O ATOM 797 OE2 GLU A 103 4.474 8.228 -11.457 1.00 0.00 O ATOM 0 H GLU A 103 7.837 5.595 -10.501 1.00 0.00 H new ATOM 0 HA GLU A 103 6.984 8.101 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.399 5.357 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.691 6.739 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.335 5.978 -10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.136 5.840 -9.630 1.00 0.00 H new ATOM 804 N LEU A 104 8.785 6.854 -7.420 1.00 0.00 N ATOM 805 CA LEU A 104 9.503 7.200 -6.198 1.00 0.00 C ATOM 806 C LEU A 104 10.999 7.336 -6.466 1.00 0.00 C ATOM 807 O LEU A 104 11.732 6.348 -6.465 1.00 0.00 O ATOM 808 CB LEU A 104 9.261 6.139 -5.122 1.00 0.00 C ATOM 809 CG LEU A 104 7.798 5.813 -4.819 1.00 0.00 C ATOM 810 CD1 LEU A 104 7.687 4.483 -4.091 1.00 0.00 C ATOM 811 CD2 LEU A 104 7.162 6.927 -3.999 1.00 0.00 C ATOM 0 H LEU A 104 8.940 5.899 -7.744 1.00 0.00 H new ATOM 0 HA LEU A 104 9.126 8.160 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.762 5.220 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.737 6.471 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 104 7.261 5.732 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.639 4.268 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.104 3.691 -4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.239 4.535 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.121 6.678 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.701 7.040 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.208 7.862 -4.558 1.00 0.00 H new ATOM 823 N ASN A 105 11.444 8.568 -6.693 1.00 0.00 N ATOM 824 CA ASN A 105 12.853 8.833 -6.960 1.00 0.00 C ATOM 825 C ASN A 105 13.632 8.999 -5.659 1.00 0.00 C ATOM 826 O ASN A 105 13.050 9.249 -4.604 1.00 0.00 O ATOM 827 CB ASN A 105 13.002 10.090 -7.820 1.00 0.00 C ATOM 828 CG ASN A 105 14.448 10.386 -8.166 1.00 0.00 C ATOM 829 OD1 ASN A 105 15.085 9.640 -8.910 1.00 0.00 O ATOM 830 ND2 ASN A 105 14.974 11.479 -7.626 1.00 0.00 N ATOM 0 H ASN A 105 10.850 9.397 -6.697 1.00 0.00 H new ATOM 0 HA ASN A 105 13.261 7.979 -7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.429 9.968 -8.739 1.00 0.00 H new ATOM 0 HB3 ASN A 105 12.576 10.942 -7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 105 15.943 11.729 -7.822 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.409 12.069 -7.015 1.00 0.00 H new ATOM 837 N GLN A 106 14.951 8.856 -5.743 1.00 0.00 N ATOM 838 CA GLN A 106 15.809 8.990 -4.572 1.00 0.00 C ATOM 839 C GLN A 106 16.189 10.448 -4.338 1.00 0.00 C ATOM 840 O GLN A 106 16.886 11.070 -5.140 1.00 0.00 O ATOM 841 CB GLN A 106 17.072 8.143 -4.740 1.00 0.00 C ATOM 842 CG GLN A 106 17.871 7.982 -3.457 1.00 0.00 C ATOM 843 CD GLN A 106 19.113 7.133 -3.646 1.00 0.00 C ATOM 844 OE1 GLN A 106 19.191 6.008 -3.153 1.00 0.00 O ATOM 845 NE2 GLN A 106 20.093 7.669 -4.364 1.00 0.00 N ATOM 0 H GLN A 106 15.448 8.648 -6.609 1.00 0.00 H new ATOM 0 HA GLN A 106 15.253 8.635 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.792 7.157 -5.110 1.00 0.00 H new ATOM 0 HB3 GLN A 106 17.707 8.599 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.161 8.966 -3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.238 7.529 -2.694 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.986 8.605 -4.754 1.00 0.00 H new ATOM 0 HE22 GLN A 106 20.953 7.144 -4.525 1.00 0.00 H new ATOM 854 N PRO A 107 15.720 11.010 -3.214 1.00 0.00 N ATOM 855 CA PRO A 107 15.997 12.402 -2.849 1.00 0.00 C ATOM 856 C PRO A 107 17.457 12.621 -2.465 1.00 0.00 C ATOM 857 O PRO A 107 18.070 11.776 -1.813 1.00 0.00 O ATOM 858 CB PRO A 107 15.086 12.641 -1.642 1.00 0.00 C ATOM 859 CG PRO A 107 14.873 11.288 -1.055 1.00 0.00 C ATOM 860 CD PRO A 107 14.882 10.328 -2.213 1.00 0.00 C ATOM 0 HA PRO A 107 15.815 13.084 -3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.550 13.316 -0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 107 14.142 13.095 -1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.659 11.045 -0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.927 11.241 -0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.299 9.361 -1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 107 13.876 10.143 -2.590 1.00 0.00 H new ATOM 868 N ALA A 108 18.007 13.759 -2.875 1.00 0.00 N ATOM 869 CA ALA A 108 19.394 14.089 -2.572 1.00 0.00 C ATOM 870 C ALA A 108 19.547 14.539 -1.123 1.00 0.00 C ATOM 871 O ALA A 108 19.158 15.650 -0.764 1.00 0.00 O ATOM 872 CB ALA A 108 19.899 15.168 -3.518 1.00 0.00 C ATOM 0 H ALA A 108 17.513 14.468 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 108 19.994 13.190 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 108 20.936 15.404 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 108 19.835 14.810 -4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 108 19.288 16.064 -3.407 1.00 0.00 H new TER 878 ALA A 108 HETATM 879 ZN ZN A 200 -5.566 1.500 -1.017 1.00 0.00 ZN