USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 GLN : amide:sc=-0.00963 X(o=-0.0096,f=-0.0013) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.405 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00731 X(o=-0.0073,f=-0.15) USER MOD Single : A 48 ASN : amide:sc= -3.88! C(o=-3.9!,f=-10!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -170:sc= -0.0627 USER MOD Single : A 70 GLN : amide:sc= -2.75! C(o=-2.7!,f=-3.5!) USER MOD Single : A 74 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -154:sc= -0.0564 (180deg=-0.357) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.715 USER MOD Single : A 96 SER OG : rot -22:sc= -0.708 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 154:sc= -0.0155 (180deg=-0.213) USER MOD Single : A 104 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 11.637 3.561 -18.765 1.00 1.00 N ATOM 47 CA GLU A 4 10.330 4.207 -18.787 1.00 1.00 C ATOM 48 C GLU A 4 9.297 3.303 -19.454 1.00 1.00 C ATOM 49 O GLU A 4 8.222 3.062 -18.904 1.00 1.00 O ATOM 50 CB GLU A 4 10.415 5.532 -19.548 1.00 1.00 C ATOM 51 CG GLU A 4 10.958 6.620 -18.618 1.00 1.00 C ATOM 52 CD GLU A 4 11.105 7.932 -19.383 1.00 1.00 C ATOM 53 OE1 GLU A 4 10.243 8.218 -20.198 1.00 1.00 O ATOM 54 OE2 GLU A 4 12.076 8.629 -19.142 1.00 1.00 O ATOM 0 HA GLU A 4 10.022 4.397 -17.759 1.00 1.00 H new ATOM 0 HB2 GLU A 4 11.064 5.424 -20.417 1.00 1.00 H new ATOM 0 HB3 GLU A 4 9.430 5.814 -19.919 1.00 1.00 H new ATOM 0 HG2 GLU A 4 10.285 6.756 -17.772 1.00 1.00 H new ATOM 0 HG3 GLU A 4 11.923 6.316 -18.212 1.00 1.00 H new ATOM 61 N LEU A 5 9.630 2.807 -20.641 1.00 1.00 N ATOM 62 CA LEU A 5 8.723 1.932 -21.374 1.00 1.00 C ATOM 63 C LEU A 5 8.497 0.631 -20.609 1.00 1.00 C ATOM 64 O LEU A 5 7.447 0.001 -20.729 1.00 1.00 O ATOM 65 CB LEU A 5 9.300 1.620 -22.756 1.00 1.00 C ATOM 66 CG LEU A 5 9.381 2.907 -23.578 1.00 1.00 C ATOM 67 CD1 LEU A 5 10.751 2.998 -24.250 1.00 1.00 C ATOM 68 CD2 LEU A 5 8.287 2.897 -24.648 1.00 1.00 C ATOM 0 H LEU A 5 10.515 2.994 -21.113 1.00 1.00 H new ATOM 0 HA LEU A 5 7.768 2.444 -21.487 1.00 1.00 H new ATOM 0 HB2 LEU A 5 10.291 1.177 -22.656 1.00 1.00 H new ATOM 0 HB3 LEU A 5 8.673 0.889 -23.267 1.00 1.00 H new ATOM 0 HG LEU A 5 9.241 3.767 -22.923 1.00 1.00 H new ATOM 0 HD11 LEU A 5 10.809 3.915 -24.836 1.00 1.00 H new ATOM 0 HD12 LEU A 5 11.530 3.005 -23.488 1.00 1.00 H new ATOM 0 HD13 LEU A 5 10.892 2.139 -24.906 1.00 1.00 H new ATOM 0 HD21 LEU A 5 8.344 3.814 -25.235 1.00 1.00 H new ATOM 0 HD22 LEU A 5 8.427 2.037 -25.304 1.00 1.00 H new ATOM 0 HD23 LEU A 5 7.310 2.833 -24.169 1.00 1.00 H new ATOM 80 N GLN A 6 9.492 0.233 -19.825 1.00 1.00 N ATOM 81 CA GLN A 6 9.392 -0.996 -19.044 1.00 1.00 C ATOM 82 C GLN A 6 8.307 -0.871 -17.978 1.00 1.00 C ATOM 83 O GLN A 6 7.678 -1.859 -17.599 1.00 1.00 O ATOM 84 CB GLN A 6 10.733 -1.300 -18.376 1.00 1.00 C ATOM 85 CG GLN A 6 10.874 -2.811 -18.179 1.00 1.00 C ATOM 86 CD GLN A 6 11.434 -3.452 -19.443 1.00 1.00 C ATOM 87 OE1 GLN A 6 12.650 -3.483 -19.639 1.00 1.00 O ATOM 88 NE2 GLN A 6 10.617 -3.969 -20.320 1.00 1.00 N ATOM 0 H GLN A 6 10.371 0.738 -19.713 1.00 1.00 H new ATOM 0 HA GLN A 6 9.128 -1.811 -19.719 1.00 1.00 H new ATOM 0 HB2 GLN A 6 11.551 -0.925 -18.991 1.00 1.00 H new ATOM 0 HB3 GLN A 6 10.797 -0.790 -17.415 1.00 1.00 H new ATOM 0 HG2 GLN A 6 11.533 -3.016 -17.335 1.00 1.00 H new ATOM 0 HG3 GLN A 6 9.904 -3.247 -17.940 1.00 1.00 H new ATOM 0 HE21 GLN A 6 9.610 -3.943 -20.157 1.00 1.00 H new ATOM 0 HE22 GLN A 6 10.985 -4.399 -21.168 1.00 1.00 H new ATOM 97 N CYS A 7 8.099 0.349 -17.492 1.00 1.00 N ATOM 98 CA CYS A 7 7.093 0.590 -16.463 1.00 1.00 C ATOM 99 C CYS A 7 5.702 0.722 -17.078 1.00 1.00 C ATOM 100 O CYS A 7 4.763 0.047 -16.657 1.00 1.00 O ATOM 101 CB CYS A 7 7.433 1.867 -15.693 1.00 1.00 C ATOM 102 SG CYS A 7 5.924 2.833 -15.435 1.00 1.00 S ATOM 0 H CYS A 7 8.609 1.180 -17.791 1.00 1.00 H new ATOM 0 HA CYS A 7 7.092 -0.261 -15.782 1.00 1.00 H new ATOM 0 HB2 CYS A 7 7.886 1.617 -14.734 1.00 1.00 H new ATOM 0 HB3 CYS A 7 8.164 2.455 -16.247 1.00 1.00 H new ATOM 0 HG CYS A 7 6.210 3.918 -14.779 1.00 1.00 H new ATOM 107 N ILE A 8 5.574 1.599 -18.069 1.00 1.00 N ATOM 108 CA ILE A 8 4.288 1.810 -18.725 1.00 1.00 C ATOM 109 C ILE A 8 3.773 0.510 -19.338 1.00 1.00 C ATOM 110 O ILE A 8 2.567 0.270 -19.379 1.00 1.00 O ATOM 111 CB ILE A 8 4.423 2.886 -19.810 1.00 1.00 C ATOM 112 CG1 ILE A 8 3.064 3.552 -20.036 1.00 1.00 C ATOM 113 CG2 ILE A 8 4.903 2.256 -21.119 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.935 4.774 -19.126 1.00 1.00 C ATOM 0 H ILE A 8 6.337 2.170 -18.433 1.00 1.00 H new ATOM 0 HA ILE A 8 3.570 2.145 -17.976 1.00 1.00 H new ATOM 0 HB ILE A 8 5.150 3.630 -19.485 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.963 3.851 -21.079 1.00 1.00 H new ATOM 0 HG13 ILE A 8 2.262 2.844 -19.828 1.00 1.00 H new ATOM 0 HG21 ILE A 8 4.995 3.029 -21.882 1.00 1.00 H new ATOM 0 HG22 ILE A 8 5.873 1.784 -20.961 1.00 1.00 H new ATOM 0 HG23 ILE A 8 4.183 1.506 -21.447 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.967 5.248 -19.288 1.00 1.00 H new ATOM 0 HD12 ILE A 8 3.017 4.462 -18.085 1.00 1.00 H new ATOM 0 HD13 ILE A 8 3.729 5.484 -19.356 1.00 1.00 H new ATOM 126 N ARG A 9 4.692 -0.324 -19.812 1.00 1.00 N ATOM 127 CA ARG A 9 4.317 -1.595 -20.420 1.00 1.00 C ATOM 128 C ARG A 9 3.727 -2.540 -19.376 1.00 1.00 C ATOM 129 O ARG A 9 2.855 -3.353 -19.685 1.00 1.00 O ATOM 130 CB ARG A 9 5.541 -2.247 -21.065 1.00 1.00 C ATOM 131 CG ARG A 9 5.145 -3.599 -21.664 1.00 1.00 C ATOM 132 CD ARG A 9 5.877 -3.804 -22.990 1.00 1.00 C ATOM 133 NE ARG A 9 5.403 -2.847 -23.983 1.00 1.00 N ATOM 134 CZ ARG A 9 5.718 -2.975 -25.266 1.00 1.00 C ATOM 135 NH1 ARG A 9 6.466 -3.970 -25.658 1.00 1.00 N ATOM 136 NH2 ARG A 9 5.279 -2.106 -26.136 1.00 1.00 N ATOM 0 H ARG A 9 5.696 -0.145 -19.787 1.00 1.00 H new ATOM 0 HA ARG A 9 3.563 -1.400 -21.183 1.00 1.00 H new ATOM 0 HB2 ARG A 9 5.945 -1.598 -21.842 1.00 1.00 H new ATOM 0 HB3 ARG A 9 6.327 -2.383 -20.322 1.00 1.00 H new ATOM 0 HG2 ARG A 9 5.394 -4.403 -20.971 1.00 1.00 H new ATOM 0 HG3 ARG A 9 4.067 -3.637 -21.822 1.00 1.00 H new ATOM 0 HD2 ARG A 9 6.950 -3.684 -22.843 1.00 1.00 H new ATOM 0 HD3 ARG A 9 5.716 -4.821 -23.349 1.00 1.00 H new ATOM 0 HE ARG A 9 4.819 -2.065 -23.686 1.00 1.00 H new ATOM 0 HH11 ARG A 9 6.808 -4.649 -24.978 1.00 1.00 H new ATOM 0 HH12 ARG A 9 6.708 -4.068 -26.644 1.00 1.00 H new ATOM 0 HH21 ARG A 9 4.694 -1.329 -25.830 1.00 1.00 H new ATOM 0 HH22 ARG A 9 5.521 -2.204 -27.122 1.00 1.00 H new ATOM 150 N GLU A 10 4.207 -2.426 -18.142 1.00 1.00 N ATOM 151 CA GLU A 10 3.718 -3.278 -17.063 1.00 1.00 C ATOM 152 C GLU A 10 2.301 -2.876 -16.667 1.00 1.00 C ATOM 153 O GLU A 10 1.437 -3.730 -16.461 1.00 1.00 O ATOM 154 CB GLU A 10 4.641 -3.166 -15.849 1.00 1.00 C ATOM 155 CG GLU A 10 5.958 -3.886 -16.141 1.00 1.00 C ATOM 156 CD GLU A 10 5.934 -5.283 -15.530 1.00 1.00 C ATOM 157 OE1 GLU A 10 5.965 -5.377 -14.314 1.00 1.00 O ATOM 158 OE2 GLU A 10 5.887 -6.239 -16.286 1.00 1.00 O ATOM 0 H GLU A 10 4.927 -1.759 -17.865 1.00 1.00 H new ATOM 0 HA GLU A 10 3.707 -4.310 -17.415 1.00 1.00 H new ATOM 0 HB2 GLU A 10 4.831 -2.118 -15.619 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.162 -3.603 -14.973 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.114 -3.953 -17.218 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.792 -3.316 -15.733 1.00 1.00 H new ATOM 165 N CYS A 11 2.069 -1.572 -16.562 1.00 1.00 N ATOM 166 CA CYS A 11 0.752 -1.067 -16.188 1.00 1.00 C ATOM 167 C CYS A 11 -0.216 -1.182 -17.361 1.00 1.00 C ATOM 168 O CYS A 11 -1.405 -1.439 -17.175 1.00 1.00 O ATOM 169 CB CYS A 11 0.857 0.394 -15.749 1.00 1.00 C ATOM 170 SG CYS A 11 -0.091 0.637 -14.228 1.00 1.00 S ATOM 0 H CYS A 11 2.770 -0.850 -16.729 1.00 1.00 H new ATOM 0 HA CYS A 11 0.374 -1.666 -15.359 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.901 0.662 -15.586 1.00 1.00 H new ATOM 0 HB3 CYS A 11 0.479 1.049 -16.534 1.00 1.00 H new ATOM 0 HG CYS A 11 0.000 1.879 -13.854 1.00 1.00 H new ATOM 175 N ARG A 12 0.302 -0.987 -18.569 1.00 1.00 N ATOM 176 CA ARG A 12 -0.526 -1.071 -19.767 1.00 1.00 C ATOM 177 C ARG A 12 -1.061 -2.488 -19.949 1.00 1.00 C ATOM 178 O ARG A 12 -2.184 -2.684 -20.416 1.00 1.00 O ATOM 179 CB ARG A 12 0.291 -0.670 -20.996 1.00 1.00 C ATOM 180 CG ARG A 12 -0.615 -0.650 -22.229 1.00 1.00 C ATOM 181 CD ARG A 12 0.181 -0.160 -23.441 1.00 1.00 C ATOM 182 NE ARG A 12 0.247 -1.203 -24.458 1.00 1.00 N ATOM 183 CZ ARG A 12 -0.765 -1.411 -25.295 1.00 1.00 C ATOM 184 NH1 ARG A 12 -1.841 -0.678 -25.213 1.00 1.00 N ATOM 185 NH2 ARG A 12 -0.682 -2.349 -26.198 1.00 1.00 N ATOM 0 H ARG A 12 1.283 -0.771 -18.744 1.00 1.00 H new ATOM 0 HA ARG A 12 -1.368 -0.388 -19.653 1.00 1.00 H new ATOM 0 HB2 ARG A 12 0.737 0.313 -20.844 1.00 1.00 H new ATOM 0 HB3 ARG A 12 1.111 -1.373 -21.146 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -1.010 -1.648 -22.419 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -1.470 0.003 -22.054 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -0.287 0.733 -23.856 1.00 1.00 H new ATOM 0 HD3 ARG A 12 1.188 0.122 -23.134 1.00 1.00 H new ATOM 0 HE ARG A 12 1.083 -1.783 -24.528 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -1.906 0.055 -24.507 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -2.617 -0.838 -25.855 1.00 1.00 H new ATOM 0 HH21 ARG A 12 0.159 -2.923 -26.262 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -1.458 -2.509 -26.840 1.00 1.00 H new ATOM 199 N LEU A 13 -0.251 -3.474 -19.576 1.00 1.00 N ATOM 200 CA LEU A 13 -0.653 -4.869 -19.703 1.00 1.00 C ATOM 201 C LEU A 13 -1.794 -5.184 -18.739 1.00 1.00 C ATOM 202 O LEU A 13 -2.777 -5.823 -19.113 1.00 1.00 O ATOM 203 CB LEU A 13 0.542 -5.783 -19.408 1.00 1.00 C ATOM 204 CG LEU A 13 0.174 -7.247 -19.691 1.00 1.00 C ATOM 205 CD1 LEU A 13 -0.124 -7.438 -21.182 1.00 1.00 C ATOM 206 CD2 LEU A 13 1.344 -8.147 -19.292 1.00 1.00 C ATOM 0 H LEU A 13 0.681 -3.334 -19.186 1.00 1.00 H new ATOM 0 HA LEU A 13 -0.998 -5.042 -20.723 1.00 1.00 H new ATOM 0 HB2 LEU A 13 1.394 -5.490 -20.022 1.00 1.00 H new ATOM 0 HB3 LEU A 13 0.846 -5.672 -18.367 1.00 1.00 H new ATOM 0 HG LEU A 13 -0.712 -7.510 -19.114 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -0.384 -8.480 -21.371 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -0.958 -6.798 -21.471 1.00 1.00 H new ATOM 0 HD13 LEU A 13 0.757 -7.172 -21.766 1.00 1.00 H new ATOM 0 HD21 LEU A 13 1.087 -9.187 -19.491 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.227 -7.874 -19.870 1.00 1.00 H new ATOM 0 HD23 LEU A 13 1.553 -8.022 -18.230 1.00 1.00 H new ATOM 218 N ALA A 14 -1.652 -4.734 -17.496 1.00 1.00 N ATOM 219 CA ALA A 14 -2.677 -4.974 -16.487 1.00 1.00 C ATOM 220 C ALA A 14 -3.885 -4.074 -16.721 1.00 1.00 C ATOM 221 O ALA A 14 -5.018 -4.448 -16.420 1.00 1.00 O ATOM 222 CB ALA A 14 -2.105 -4.712 -15.092 1.00 1.00 C ATOM 0 H ALA A 14 -0.844 -4.206 -17.166 1.00 1.00 H new ATOM 0 HA ALA A 14 -2.996 -6.014 -16.561 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -2.876 -4.893 -14.343 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -1.262 -5.379 -14.913 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.770 -3.677 -15.025 1.00 1.00 H new ATOM 228 N GLN A 15 -3.635 -2.885 -17.261 1.00 1.00 N ATOM 229 CA GLN A 15 -4.713 -1.939 -17.531 1.00 1.00 C ATOM 230 C GLN A 15 -5.451 -2.321 -18.809 1.00 1.00 C ATOM 231 O GLN A 15 -6.680 -2.264 -18.868 1.00 1.00 O ATOM 232 CB GLN A 15 -4.145 -0.525 -17.671 1.00 1.00 C ATOM 233 CG GLN A 15 -3.634 -0.044 -16.312 1.00 1.00 C ATOM 234 CD GLN A 15 -4.781 0.557 -15.506 1.00 1.00 C ATOM 235 OE1 GLN A 15 -5.441 1.492 -15.962 1.00 1.00 O ATOM 236 NE2 GLN A 15 -5.061 0.073 -14.326 1.00 1.00 N ATOM 0 H GLN A 15 -2.705 -2.556 -17.518 1.00 1.00 H new ATOM 0 HA GLN A 15 -5.414 -1.967 -16.697 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -3.334 -0.518 -18.400 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -4.914 0.152 -18.043 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -3.192 -0.877 -15.765 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -2.849 0.699 -16.452 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -4.514 -0.701 -13.949 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -5.827 0.469 -13.781 1.00 1.00 H new ATOM 598 N ALA A 45 6.352 -10.012 -5.831 1.00 1.00 N ATOM 599 CA ALA A 45 7.785 -10.257 -5.937 1.00 1.00 C ATOM 600 C ALA A 45 8.572 -9.114 -5.303 1.00 1.00 C ATOM 601 O ALA A 45 9.632 -9.329 -4.716 1.00 1.00 O ATOM 602 CB ALA A 45 8.183 -10.399 -7.408 1.00 1.00 C ATOM 0 HA ALA A 45 8.017 -11.181 -5.407 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.255 -10.582 -7.479 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.642 -11.235 -7.852 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.935 -9.482 -7.942 1.00 1.00 H new ATOM 608 N ILE A 46 8.046 -7.899 -5.425 1.00 1.00 N ATOM 609 CA ILE A 46 8.708 -6.730 -4.860 1.00 1.00 C ATOM 610 C ILE A 46 8.025 -6.302 -3.564 1.00 1.00 C ATOM 611 O ILE A 46 8.645 -5.685 -2.698 1.00 1.00 O ATOM 612 CB ILE A 46 8.671 -5.574 -5.863 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.234 -5.369 -6.349 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.567 -5.901 -7.060 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.144 -4.060 -7.135 1.00 1.00 C ATOM 0 H ILE A 46 7.169 -7.700 -5.907 1.00 1.00 H new ATOM 0 HA ILE A 46 9.744 -6.991 -4.643 1.00 1.00 H new ATOM 0 HB ILE A 46 9.029 -4.665 -5.379 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.929 -6.205 -6.978 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.552 -5.343 -5.499 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.538 -5.076 -7.772 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.591 -6.050 -6.718 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.210 -6.810 -7.544 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.121 -3.913 -7.481 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.432 -3.229 -6.492 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.815 -4.104 -7.993 1.00 1.00 H new ATOM 627 N ALA A 47 6.745 -6.635 -3.438 1.00 1.00 N ATOM 628 CA ALA A 47 5.986 -6.283 -2.243 1.00 1.00 C ATOM 629 C ALA A 47 6.535 -7.014 -1.023 1.00 1.00 C ATOM 630 O ALA A 47 6.362 -6.568 0.111 1.00 1.00 O ATOM 631 CB ALA A 47 4.511 -6.642 -2.435 1.00 1.00 C ATOM 0 H ALA A 47 6.214 -7.145 -4.144 1.00 1.00 H new ATOM 0 HA ALA A 47 6.080 -5.209 -2.081 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.952 -6.376 -1.538 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.111 -6.094 -3.288 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.418 -7.713 -2.616 1.00 1.00 H new ATOM 637 N ASN A 48 7.197 -8.141 -1.266 1.00 1.00 N ATOM 638 CA ASN A 48 7.769 -8.929 -0.181 1.00 1.00 C ATOM 639 C ASN A 48 9.128 -8.371 0.219 1.00 1.00 C ATOM 640 O ASN A 48 9.636 -8.654 1.304 1.00 1.00 O ATOM 641 CB ASN A 48 7.922 -10.386 -0.619 1.00 1.00 C ATOM 642 CG ASN A 48 8.585 -10.450 -1.992 1.00 1.00 C ATOM 643 OD1 ASN A 48 9.303 -9.528 -2.378 1.00 1.00 O ATOM 644 ND2 ASN A 48 8.384 -11.488 -2.757 1.00 1.00 N ATOM 0 H ASN A 48 7.350 -8.527 -2.198 1.00 1.00 H new ATOM 0 HA ASN A 48 7.098 -8.878 0.677 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.521 -10.933 0.109 1.00 1.00 H new ATOM 0 HB3 ASN A 48 6.945 -10.868 -0.655 1.00 1.00 H new ATOM 0 HD21 ASN A 48 8.822 -11.536 -3.677 1.00 1.00 H new ATOM 0 HD22 ASN A 48 7.789 -12.251 -2.435 1.00 1.00 H new ATOM 651 N PHE A 49 9.711 -7.574 -0.670 1.00 1.00 N ATOM 652 CA PHE A 49 11.012 -6.978 -0.407 1.00 1.00 C ATOM 653 C PHE A 49 10.882 -5.822 0.579 1.00 1.00 C ATOM 654 O PHE A 49 11.850 -5.108 0.844 1.00 1.00 O ATOM 655 CB PHE A 49 11.626 -6.482 -1.719 1.00 1.00 C ATOM 656 CG PHE A 49 12.796 -7.363 -2.088 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.624 -8.751 -2.171 1.00 1.00 C ATOM 658 CD2 PHE A 49 14.049 -6.797 -2.346 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.707 -9.571 -2.509 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.132 -7.616 -2.685 1.00 1.00 C ATOM 661 CZ PHE A 49 14.961 -9.004 -2.767 1.00 1.00 C ATOM 0 H PHE A 49 9.305 -7.328 -1.573 1.00 1.00 H new ATOM 0 HA PHE A 49 11.662 -7.734 0.033 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.879 -6.499 -2.513 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.954 -5.448 -1.612 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.656 -9.188 -1.974 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.181 -5.727 -2.284 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.575 -10.641 -2.571 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.099 -7.178 -2.883 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.796 -9.637 -3.029 1.00 1.00 H new ATOM 671 N LEU A 50 9.682 -5.654 1.124 1.00 1.00 N ATOM 672 CA LEU A 50 9.426 -4.592 2.093 1.00 1.00 C ATOM 673 C LEU A 50 8.767 -5.169 3.345 1.00 1.00 C ATOM 674 O LEU A 50 7.626 -5.631 3.304 1.00 1.00 O ATOM 675 CB LEU A 50 8.513 -3.516 1.477 1.00 1.00 C ATOM 676 CG LEU A 50 9.296 -2.605 0.509 1.00 1.00 C ATOM 677 CD1 LEU A 50 9.085 -3.073 -0.933 1.00 1.00 C ATOM 678 CD2 LEU A 50 8.786 -1.168 0.644 1.00 1.00 C ATOM 0 H LEU A 50 8.872 -6.237 0.913 1.00 1.00 H new ATOM 0 HA LEU A 50 10.378 -4.137 2.367 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.691 -3.995 0.945 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.071 -2.913 2.270 1.00 1.00 H new ATOM 0 HG LEU A 50 10.357 -2.651 0.755 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.641 -2.425 -1.611 1.00 1.00 H new ATOM 0 HD12 LEU A 50 9.440 -4.098 -1.038 1.00 1.00 H new ATOM 0 HD13 LEU A 50 8.024 -3.029 -1.178 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.337 -0.521 -0.038 1.00 1.00 H new ATOM 0 HD22 LEU A 50 7.724 -1.134 0.399 1.00 1.00 H new ATOM 0 HD23 LEU A 50 8.933 -0.824 1.668 1.00 1.00 H new ATOM 690 N GLU A 51 9.500 -5.140 4.456 1.00 1.00 N ATOM 691 CA GLU A 51 8.992 -5.662 5.723 1.00 1.00 C ATOM 692 C GLU A 51 7.628 -5.043 6.055 1.00 1.00 C ATOM 693 O GLU A 51 7.340 -3.922 5.639 1.00 1.00 O ATOM 694 CB GLU A 51 9.989 -5.342 6.843 1.00 1.00 C ATOM 695 CG GLU A 51 11.133 -6.361 6.829 1.00 1.00 C ATOM 696 CD GLU A 51 10.632 -7.726 7.290 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.168 -7.816 8.415 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.708 -8.657 6.506 1.00 1.00 O ATOM 0 H GLU A 51 10.446 -4.761 4.505 1.00 1.00 H new ATOM 0 HA GLU A 51 8.871 -6.742 5.634 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.386 -4.335 6.712 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.484 -5.363 7.809 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.548 -6.439 5.824 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.938 -6.023 7.481 1.00 1.00 H new ATOM 705 N PRO A 52 6.790 -5.738 6.793 1.00 1.00 N ATOM 706 CA PRO A 52 5.440 -5.221 7.175 1.00 1.00 C ATOM 707 C PRO A 52 5.523 -3.914 7.964 1.00 1.00 C ATOM 708 O PRO A 52 4.866 -2.931 7.619 1.00 1.00 O ATOM 709 CB PRO A 52 4.830 -6.337 8.034 1.00 1.00 C ATOM 710 CG PRO A 52 5.970 -7.210 8.438 1.00 1.00 C ATOM 711 CD PRO A 52 7.024 -7.084 7.344 1.00 1.00 C ATOM 0 HA PRO A 52 4.840 -4.987 6.296 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.324 -5.926 8.908 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.086 -6.901 7.471 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.373 -6.900 9.402 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.646 -8.245 8.546 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.033 -7.183 7.745 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.906 -7.855 6.583 1.00 1.00 H new ATOM 719 N GLN A 53 6.332 -3.907 9.020 1.00 1.00 N ATOM 720 CA GLN A 53 6.482 -2.707 9.836 1.00 1.00 C ATOM 721 C GLN A 53 7.029 -1.566 8.986 1.00 1.00 C ATOM 722 O GLN A 53 6.505 -0.453 9.006 1.00 1.00 O ATOM 723 CB GLN A 53 7.430 -2.982 11.004 1.00 1.00 C ATOM 724 CG GLN A 53 7.289 -1.876 12.053 1.00 1.00 C ATOM 725 CD GLN A 53 8.631 -1.622 12.729 1.00 1.00 C ATOM 726 OE1 GLN A 53 8.870 -2.105 13.836 1.00 1.00 O ATOM 727 NE2 GLN A 53 9.525 -0.888 12.127 1.00 1.00 N ATOM 0 H GLN A 53 6.886 -4.706 9.327 1.00 1.00 H new ATOM 0 HA GLN A 53 5.506 -2.424 10.230 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.203 -3.950 11.450 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.459 -3.029 10.647 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.931 -0.961 11.582 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.546 -2.163 12.798 1.00 1.00 H new ATOM 0 HE21 GLN A 53 9.324 -0.489 11.210 1.00 1.00 H new ATOM 0 HE22 GLN A 53 10.425 -0.713 12.573 1.00 1.00 H new ATOM 736 N ALA A 54 8.080 -1.861 8.229 1.00 1.00 N ATOM 737 CA ALA A 54 8.686 -0.861 7.360 1.00 1.00 C ATOM 738 C ALA A 54 7.662 -0.379 6.340 1.00 1.00 C ATOM 739 O ALA A 54 7.709 0.763 5.881 1.00 1.00 O ATOM 740 CB ALA A 54 9.898 -1.452 6.638 1.00 1.00 C ATOM 0 H ALA A 54 8.527 -2.777 8.200 1.00 1.00 H new ATOM 0 HA ALA A 54 9.016 -0.018 7.967 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.342 -0.695 5.992 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.634 -1.780 7.372 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.583 -2.304 6.035 1.00 1.00 H new ATOM 746 N LEU A 55 6.734 -1.263 6.000 1.00 1.00 N ATOM 747 CA LEU A 55 5.690 -0.926 5.037 1.00 1.00 C ATOM 748 C LEU A 55 4.833 0.217 5.569 1.00 1.00 C ATOM 749 O LEU A 55 4.529 1.168 4.849 1.00 1.00 O ATOM 750 CB LEU A 55 4.807 -2.146 4.766 1.00 1.00 C ATOM 751 CG LEU A 55 4.781 -2.434 3.264 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.935 -3.682 2.998 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.171 -1.240 2.528 1.00 1.00 C ATOM 0 H LEU A 55 6.681 -2.211 6.372 1.00 1.00 H new ATOM 0 HA LEU A 55 6.164 -0.615 4.106 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.189 -3.012 5.306 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.796 -1.964 5.130 1.00 1.00 H new ATOM 0 HG LEU A 55 5.798 -2.601 2.908 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.916 -3.888 1.928 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.367 -4.533 3.523 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.918 -3.515 3.353 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.152 -1.444 1.457 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.154 -1.074 2.884 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.772 -0.350 2.717 1.00 1.00 H new ATOM 765 N GLU A 56 4.452 0.118 6.838 1.00 1.00 N ATOM 766 CA GLU A 56 3.636 1.151 7.461 1.00 1.00 C ATOM 767 C GLU A 56 4.344 2.500 7.390 1.00 1.00 C ATOM 768 O GLU A 56 3.705 3.540 7.228 1.00 1.00 O ATOM 769 CB GLU A 56 3.359 0.793 8.923 1.00 1.00 C ATOM 770 CG GLU A 56 1.929 0.262 9.051 1.00 1.00 C ATOM 771 CD GLU A 56 1.675 -0.221 10.475 1.00 1.00 C ATOM 772 OE1 GLU A 56 1.472 0.618 11.337 1.00 1.00 O ATOM 773 OE2 GLU A 56 1.674 -1.425 10.679 1.00 1.00 O ATOM 0 H GLU A 56 4.693 -0.661 7.451 1.00 1.00 H new ATOM 0 HA GLU A 56 2.691 1.217 6.922 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.070 0.042 9.267 1.00 1.00 H new ATOM 0 HB3 GLU A 56 3.491 1.671 9.556 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.217 1.046 8.792 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.772 -0.556 8.348 1.00 1.00 H new ATOM 780 N ARG A 57 5.668 2.476 7.511 1.00 1.00 N ATOM 781 CA ARG A 57 6.450 3.696 7.459 1.00 1.00 C ATOM 782 C ARG A 57 6.223 4.421 6.138 1.00 1.00 C ATOM 783 O ARG A 57 5.954 5.621 6.119 1.00 1.00 O ATOM 784 CB ARG A 57 7.934 3.357 7.614 1.00 1.00 C ATOM 785 CG ARG A 57 8.540 4.181 8.752 1.00 1.00 C ATOM 786 CD ARG A 57 8.470 5.678 8.427 1.00 1.00 C ATOM 787 NE ARG A 57 8.586 5.909 6.993 1.00 1.00 N ATOM 788 CZ ARG A 57 9.774 6.051 6.414 1.00 1.00 C ATOM 789 NH1 ARG A 57 10.863 5.957 7.126 1.00 1.00 N ATOM 790 NH2 ARG A 57 9.851 6.283 5.132 1.00 1.00 N ATOM 0 H ARG A 57 6.216 1.626 7.645 1.00 1.00 H new ATOM 0 HA ARG A 57 6.136 4.350 8.272 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.053 2.293 7.820 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.462 3.563 6.683 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.005 3.979 9.680 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.577 3.885 8.911 1.00 1.00 H new ATOM 0 HD2 ARG A 57 7.528 6.088 8.790 1.00 1.00 H new ATOM 0 HD3 ARG A 57 9.269 6.205 8.949 1.00 1.00 H new ATOM 0 HE ARG A 57 7.741 5.963 6.424 1.00 1.00 H new ATOM 0 HH11 ARG A 57 10.803 5.774 8.128 1.00 1.00 H new ATOM 0 HH12 ARG A 57 11.774 6.066 6.681 1.00 1.00 H new ATOM 0 HH21 ARG A 57 9.000 6.355 4.575 1.00 1.00 H new ATOM 0 HH22 ARG A 57 10.762 6.392 4.687 1.00 1.00 H new ATOM 804 N LEU A 58 6.327 3.687 5.034 1.00 1.00 N ATOM 805 CA LEU A 58 6.121 4.284 3.721 1.00 1.00 C ATOM 806 C LEU A 58 4.747 4.935 3.652 1.00 1.00 C ATOM 807 O LEU A 58 4.551 5.950 2.983 1.00 1.00 O ATOM 808 CB LEU A 58 6.240 3.224 2.639 1.00 1.00 C ATOM 809 CG LEU A 58 7.714 3.038 2.308 1.00 1.00 C ATOM 810 CD1 LEU A 58 7.950 1.616 1.831 1.00 1.00 C ATOM 811 CD2 LEU A 58 8.124 4.022 1.210 1.00 1.00 C ATOM 0 H LEU A 58 6.550 2.692 5.022 1.00 1.00 H new ATOM 0 HA LEU A 58 6.885 5.044 3.560 1.00 1.00 H new ATOM 0 HB2 LEU A 58 5.806 2.284 2.980 1.00 1.00 H new ATOM 0 HB3 LEU A 58 5.687 3.526 1.750 1.00 1.00 H new ATOM 0 HG LEU A 58 8.311 3.226 3.200 1.00 1.00 H new ATOM 0 HD11 LEU A 58 9.005 1.482 1.594 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.663 0.917 2.616 1.00 1.00 H new ATOM 0 HD13 LEU A 58 7.351 1.427 0.940 1.00 1.00 H new ATOM 0 HD21 LEU A 58 9.180 3.886 0.975 1.00 1.00 H new ATOM 0 HD22 LEU A 58 7.527 3.839 0.316 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.957 5.042 1.555 1.00 1.00 H new ATOM 823 N SER A 59 3.799 4.340 4.350 1.00 1.00 N ATOM 824 CA SER A 59 2.445 4.872 4.381 1.00 1.00 C ATOM 825 C SER A 59 2.423 6.222 5.095 1.00 1.00 C ATOM 826 O SER A 59 1.737 7.152 4.671 1.00 1.00 O ATOM 827 CB SER A 59 1.514 3.892 5.098 1.00 1.00 C ATOM 828 OG SER A 59 2.053 2.581 5.006 1.00 1.00 O ATOM 0 H SER A 59 3.937 3.493 4.901 1.00 1.00 H new ATOM 0 HA SER A 59 2.100 5.009 3.356 1.00 1.00 H new ATOM 0 HB2 SER A 59 1.401 4.179 6.144 1.00 1.00 H new ATOM 0 HB3 SER A 59 0.521 3.922 4.650 1.00 1.00 H new ATOM 0 HG SER A 59 1.390 1.932 5.322 1.00 1.00 H new ATOM 834 N ARG A 60 3.165 6.305 6.199 1.00 1.00 N ATOM 835 CA ARG A 60 3.218 7.526 7.002 1.00 1.00 C ATOM 836 C ARG A 60 3.898 8.683 6.269 1.00 1.00 C ATOM 837 O ARG A 60 3.398 9.807 6.283 1.00 1.00 O ATOM 838 CB ARG A 60 3.981 7.247 8.300 1.00 1.00 C ATOM 839 CG ARG A 60 3.544 8.237 9.386 1.00 1.00 C ATOM 840 CD ARG A 60 2.477 7.586 10.267 1.00 1.00 C ATOM 841 NE ARG A 60 3.017 6.397 10.912 1.00 1.00 N ATOM 842 CZ ARG A 60 2.294 5.687 11.771 1.00 1.00 C ATOM 843 NH1 ARG A 60 1.072 6.052 12.054 1.00 1.00 N ATOM 844 NH2 ARG A 60 2.801 4.623 12.330 1.00 1.00 N ATOM 0 H ARG A 60 3.738 5.541 6.558 1.00 1.00 H new ATOM 0 HA ARG A 60 2.189 7.822 7.207 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.793 6.225 8.630 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.054 7.334 8.127 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.401 8.531 9.991 1.00 1.00 H new ATOM 0 HG3 ARG A 60 3.150 9.145 8.929 1.00 1.00 H new ATOM 0 HD2 ARG A 60 2.135 8.295 11.021 1.00 1.00 H new ATOM 0 HD3 ARG A 60 1.609 7.319 9.664 1.00 1.00 H new ATOM 0 HE ARG A 60 3.970 6.103 10.700 1.00 1.00 H new ATOM 0 HH11 ARG A 60 0.673 6.882 11.615 1.00 1.00 H new ATOM 0 HH12 ARG A 60 0.517 5.507 12.714 1.00 1.00 H new ATOM 0 HH21 ARG A 60 3.754 4.335 12.108 1.00 1.00 H new ATOM 0 HH22 ARG A 60 2.245 4.079 12.989 1.00 1.00 H new ATOM 858 N VAL A 61 5.042 8.416 5.645 1.00 1.00 N ATOM 859 CA VAL A 61 5.768 9.468 4.935 1.00 1.00 C ATOM 860 C VAL A 61 5.009 9.910 3.685 1.00 1.00 C ATOM 861 O VAL A 61 4.845 11.104 3.441 1.00 1.00 O ATOM 862 CB VAL A 61 7.167 8.975 4.550 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.046 7.850 3.534 1.00 1.00 C ATOM 864 CG2 VAL A 61 7.969 10.129 3.941 1.00 1.00 C ATOM 0 H VAL A 61 5.482 7.496 5.615 1.00 1.00 H new ATOM 0 HA VAL A 61 5.860 10.326 5.601 1.00 1.00 H new ATOM 0 HB VAL A 61 7.679 8.609 5.440 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.041 7.499 3.260 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.478 7.027 3.968 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.533 8.216 2.645 1.00 1.00 H new ATOM 0 HG21 VAL A 61 8.964 9.777 3.668 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.458 10.498 3.052 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.057 10.935 4.669 1.00 1.00 H new ATOM 874 N ALA A 62 4.563 8.942 2.892 1.00 1.00 N ATOM 875 CA ALA A 62 3.837 9.242 1.662 1.00 1.00 C ATOM 876 C ALA A 62 2.738 10.277 1.900 1.00 1.00 C ATOM 877 O ALA A 62 2.379 11.029 0.993 1.00 1.00 O ATOM 878 CB ALA A 62 3.217 7.963 1.100 1.00 1.00 C ATOM 0 H ALA A 62 4.690 7.947 3.077 1.00 1.00 H new ATOM 0 HA ALA A 62 4.548 9.656 0.947 1.00 1.00 H new ATOM 0 HB1 ALA A 62 2.676 8.194 0.182 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.005 7.241 0.886 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.527 7.541 1.831 1.00 1.00 H new ATOM 884 N LEU A 63 2.201 10.307 3.115 1.00 1.00 N ATOM 885 CA LEU A 63 1.136 11.253 3.442 1.00 1.00 C ATOM 886 C LEU A 63 1.670 12.679 3.523 1.00 1.00 C ATOM 887 O LEU A 63 0.915 13.641 3.388 1.00 1.00 O ATOM 888 CB LEU A 63 0.492 10.882 4.780 1.00 1.00 C ATOM 889 CG LEU A 63 -0.460 9.698 4.589 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.612 8.949 5.915 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.836 10.203 4.140 1.00 1.00 C ATOM 0 H LEU A 63 2.480 9.696 3.882 1.00 1.00 H new ATOM 0 HA LEU A 63 0.392 11.202 2.647 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.263 10.626 5.506 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.053 11.737 5.181 1.00 1.00 H new ATOM 0 HG LEU A 63 -0.052 9.031 3.830 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.289 8.106 5.781 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.362 8.584 6.240 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.017 9.623 6.669 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.509 9.356 4.006 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.243 10.873 4.898 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.736 10.740 3.197 1.00 1.00 H new ATOM 903 N VAL A 64 2.970 12.810 3.761 1.00 1.00 N ATOM 904 CA VAL A 64 3.584 14.129 3.876 1.00 1.00 C ATOM 905 C VAL A 64 4.314 14.521 2.593 1.00 1.00 C ATOM 906 O VAL A 64 4.092 15.605 2.056 1.00 1.00 O ATOM 907 CB VAL A 64 4.565 14.145 5.050 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.495 15.502 5.748 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.187 13.046 6.045 1.00 1.00 C ATOM 0 H VAL A 64 3.614 12.028 3.877 1.00 1.00 H new ATOM 0 HA VAL A 64 2.789 14.854 4.049 1.00 1.00 H new ATOM 0 HB VAL A 64 5.576 13.972 4.682 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.193 15.517 6.585 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.759 16.289 5.041 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.483 15.670 6.116 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.886 13.057 6.882 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.176 13.221 6.414 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.230 12.076 5.549 1.00 1.00 H new ATOM 919 N ARG A 65 5.192 13.646 2.108 1.00 1.00 N ATOM 920 CA ARG A 65 5.942 13.943 0.890 1.00 1.00 C ATOM 921 C ARG A 65 6.118 12.697 0.027 1.00 1.00 C ATOM 922 O ARG A 65 7.112 11.979 0.146 1.00 1.00 O ATOM 923 CB ARG A 65 7.312 14.519 1.251 1.00 1.00 C ATOM 924 CG ARG A 65 7.152 15.977 1.691 1.00 1.00 C ATOM 925 CD ARG A 65 8.525 16.569 2.008 1.00 1.00 C ATOM 926 NE ARG A 65 9.141 17.094 0.795 1.00 1.00 N ATOM 927 CZ ARG A 65 10.063 18.048 0.850 1.00 1.00 C ATOM 928 NH1 ARG A 65 10.437 18.530 2.004 1.00 1.00 N ATOM 929 NH2 ARG A 65 10.599 18.503 -0.251 1.00 1.00 N ATOM 0 H ARG A 65 5.399 12.741 2.531 1.00 1.00 H new ATOM 0 HA ARG A 65 5.375 14.676 0.316 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.765 13.934 2.051 1.00 1.00 H new ATOM 0 HB3 ARG A 65 7.982 14.458 0.393 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.669 16.555 0.903 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.508 16.034 2.569 1.00 1.00 H new ATOM 0 HD2 ARG A 65 8.424 17.364 2.747 1.00 1.00 H new ATOM 0 HD3 ARG A 65 9.166 15.805 2.448 1.00 1.00 H new ATOM 0 HE ARG A 65 8.859 16.722 -0.112 1.00 1.00 H new ATOM 0 HH11 ARG A 65 10.021 18.174 2.864 1.00 1.00 H new ATOM 0 HH12 ARG A 65 11.145 19.263 2.045 1.00 1.00 H new ATOM 0 HH21 ARG A 65 10.309 18.125 -1.153 1.00 1.00 H new ATOM 0 HH22 ARG A 65 11.307 19.236 -0.208 1.00 1.00 H new ATOM 943 N ARG A 66 5.150 12.461 -0.850 1.00 1.00 N ATOM 944 CA ARG A 66 5.193 11.313 -1.749 1.00 1.00 C ATOM 945 C ARG A 66 6.423 11.378 -2.652 1.00 1.00 C ATOM 946 O ARG A 66 6.967 10.348 -3.052 1.00 1.00 O ATOM 947 CB ARG A 66 3.928 11.277 -2.609 1.00 1.00 C ATOM 948 CG ARG A 66 3.605 9.827 -2.978 1.00 1.00 C ATOM 949 CD ARG A 66 2.455 9.798 -3.987 1.00 1.00 C ATOM 950 NE ARG A 66 1.202 10.164 -3.335 1.00 1.00 N ATOM 951 CZ ARG A 66 0.557 9.303 -2.554 1.00 1.00 C ATOM 952 NH1 ARG A 66 1.046 8.110 -2.353 1.00 1.00 N ATOM 953 NH2 ARG A 66 -0.566 9.653 -1.987 1.00 1.00 N ATOM 0 H ARG A 66 4.324 13.050 -0.958 1.00 1.00 H new ATOM 0 HA ARG A 66 5.250 10.407 -1.145 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.093 11.720 -2.066 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.072 11.870 -3.512 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.486 9.344 -3.401 1.00 1.00 H new ATOM 0 HG3 ARG A 66 3.332 9.266 -2.084 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.662 10.488 -4.805 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.369 8.803 -4.423 1.00 1.00 H new ATOM 0 HE ARG A 66 0.814 11.096 -3.481 1.00 1.00 H new ATOM 0 HH11 ARG A 66 1.924 7.837 -2.795 1.00 1.00 H new ATOM 0 HH12 ARG A 66 0.550 7.450 -1.754 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -0.947 10.586 -2.144 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -1.062 8.993 -1.388 1.00 1.00 H new ATOM 967 N ASP A 67 6.851 12.594 -2.976 1.00 1.00 N ATOM 968 CA ASP A 67 8.012 12.783 -3.841 1.00 1.00 C ATOM 969 C ASP A 67 9.228 12.045 -3.286 1.00 1.00 C ATOM 970 O ASP A 67 9.930 11.351 -4.017 1.00 1.00 O ATOM 971 CB ASP A 67 8.332 14.273 -3.969 1.00 1.00 C ATOM 972 CG ASP A 67 7.755 14.820 -5.270 1.00 1.00 C ATOM 973 OD1 ASP A 67 8.303 14.507 -6.314 1.00 1.00 O ATOM 974 OD2 ASP A 67 6.771 15.540 -5.204 1.00 1.00 O ATOM 0 H ASP A 67 6.415 13.459 -2.655 1.00 1.00 H new ATOM 0 HA ASP A 67 7.775 12.376 -4.824 1.00 1.00 H new ATOM 0 HB2 ASP A 67 7.917 14.817 -3.120 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.411 14.425 -3.948 1.00 1.00 H new ATOM 979 N ARG A 68 9.471 12.197 -1.993 1.00 1.00 N ATOM 980 CA ARG A 68 10.603 11.532 -1.357 1.00 1.00 C ATOM 981 C ARG A 68 10.339 10.030 -1.223 1.00 1.00 C ATOM 982 O ARG A 68 11.242 9.208 -1.390 1.00 1.00 O ATOM 983 CB ARG A 68 10.846 12.140 0.027 1.00 1.00 C ATOM 984 CG ARG A 68 11.681 13.416 -0.112 1.00 1.00 C ATOM 985 CD ARG A 68 11.244 14.439 0.938 1.00 1.00 C ATOM 986 NE ARG A 68 10.967 13.775 2.208 1.00 1.00 N ATOM 987 CZ ARG A 68 11.147 14.397 3.368 1.00 1.00 C ATOM 988 NH1 ARG A 68 11.564 15.633 3.389 1.00 1.00 N ATOM 989 NH2 ARG A 68 10.908 13.771 4.489 1.00 1.00 N ATOM 0 H ARG A 68 8.906 12.770 -1.366 1.00 1.00 H new ATOM 0 HA ARG A 68 11.487 11.675 -1.979 1.00 1.00 H new ATOM 0 HB2 ARG A 68 9.894 12.367 0.508 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.363 11.423 0.665 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.739 13.184 0.011 1.00 1.00 H new ATOM 0 HG3 ARG A 68 11.560 13.833 -1.112 1.00 1.00 H new ATOM 0 HD2 ARG A 68 12.025 15.187 1.074 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.354 14.966 0.594 1.00 1.00 H new ATOM 0 HE ARG A 68 10.628 12.813 2.205 1.00 1.00 H new ATOM 0 HH11 ARG A 68 11.752 16.123 2.514 1.00 1.00 H new ATOM 0 HH12 ARG A 68 11.702 16.110 4.280 1.00 1.00 H new ATOM 0 HH21 ARG A 68 10.583 12.804 4.474 1.00 1.00 H new ATOM 0 HH22 ARG A 68 11.046 14.249 5.379 1.00 1.00 H new ATOM 1003 N ALA A 69 9.094 9.690 -0.909 1.00 1.00 N ATOM 1004 CA ALA A 69 8.696 8.295 -0.733 1.00 1.00 C ATOM 1005 C ALA A 69 8.766 7.502 -2.038 1.00 1.00 C ATOM 1006 O ALA A 69 9.065 6.308 -2.030 1.00 1.00 O ATOM 1007 CB ALA A 69 7.266 8.240 -0.198 1.00 1.00 C ATOM 0 H ALA A 69 8.340 10.362 -0.770 1.00 1.00 H new ATOM 0 HA ALA A 69 9.394 7.843 -0.028 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.967 7.200 -0.066 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.216 8.757 0.760 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.594 8.724 -0.906 1.00 1.00 H new ATOM 1013 N GLN A 70 8.467 8.160 -3.151 1.00 1.00 N ATOM 1014 CA GLN A 70 8.477 7.480 -4.442 1.00 1.00 C ATOM 1015 C GLN A 70 9.903 7.222 -4.910 1.00 1.00 C ATOM 1016 O GLN A 70 10.181 6.207 -5.549 1.00 1.00 O ATOM 1017 CB GLN A 70 7.688 8.286 -5.485 1.00 1.00 C ATOM 1018 CG GLN A 70 8.589 9.300 -6.190 1.00 1.00 C ATOM 1019 CD GLN A 70 9.324 8.635 -7.348 1.00 1.00 C ATOM 1020 OE1 GLN A 70 8.744 7.825 -8.070 1.00 1.00 O ATOM 1021 NE2 GLN A 70 10.573 8.938 -7.577 1.00 1.00 N ATOM 0 H GLN A 70 8.218 9.148 -3.188 1.00 1.00 H new ATOM 0 HA GLN A 70 7.987 6.513 -4.323 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.252 7.609 -6.220 1.00 1.00 H new ATOM 0 HB3 GLN A 70 6.861 8.805 -5.000 1.00 1.00 H new ATOM 0 HG2 GLN A 70 7.991 10.133 -6.560 1.00 1.00 H new ATOM 0 HG3 GLN A 70 9.308 9.713 -5.482 1.00 1.00 H new ATOM 0 HE21 GLN A 70 11.053 9.610 -6.978 1.00 1.00 H new ATOM 0 HE22 GLN A 70 11.069 8.503 -8.355 1.00 1.00 H new ATOM 1030 N ALA A 71 10.806 8.138 -4.586 1.00 1.00 N ATOM 1031 CA ALA A 71 12.196 7.986 -4.975 1.00 1.00 C ATOM 1032 C ALA A 71 12.810 6.785 -4.263 1.00 1.00 C ATOM 1033 O ALA A 71 13.633 6.069 -4.834 1.00 1.00 O ATOM 1034 CB ALA A 71 12.971 9.256 -4.637 1.00 1.00 C ATOM 0 H ALA A 71 10.601 8.987 -4.059 1.00 1.00 H new ATOM 0 HA ALA A 71 12.249 7.818 -6.051 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.014 9.135 -4.931 1.00 1.00 H new ATOM 0 HB2 ALA A 71 12.538 10.100 -5.173 1.00 1.00 H new ATOM 0 HB3 ALA A 71 12.916 9.441 -3.564 1.00 1.00 H new ATOM 1040 N VAL A 72 12.396 6.555 -3.016 1.00 1.00 N ATOM 1041 CA VAL A 72 12.910 5.418 -2.256 1.00 1.00 C ATOM 1042 C VAL A 72 12.494 4.119 -2.931 1.00 1.00 C ATOM 1043 O VAL A 72 13.311 3.229 -3.156 1.00 1.00 O ATOM 1044 CB VAL A 72 12.367 5.437 -0.825 1.00 1.00 C ATOM 1045 CG1 VAL A 72 13.113 4.398 0.012 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.577 6.822 -0.212 1.00 1.00 C ATOM 0 H VAL A 72 11.717 7.131 -2.518 1.00 1.00 H new ATOM 0 HA VAL A 72 13.997 5.488 -2.224 1.00 1.00 H new ATOM 0 HB VAL A 72 11.302 5.205 -0.840 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.729 4.409 1.032 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.966 3.408 -0.421 1.00 1.00 H new ATOM 0 HG13 VAL A 72 14.177 4.635 0.022 1.00 1.00 H new ATOM 0 HG21 VAL A 72 12.189 6.832 0.807 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.642 7.056 -0.197 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.050 7.567 -0.808 1.00 1.00 H new ATOM 1056 N GLU A 73 11.214 4.027 -3.260 1.00 1.00 N ATOM 1057 CA GLU A 73 10.688 2.840 -3.925 1.00 1.00 C ATOM 1058 C GLU A 73 11.443 2.592 -5.228 1.00 1.00 C ATOM 1059 O GLU A 73 11.648 1.448 -5.630 1.00 1.00 O ATOM 1060 CB GLU A 73 9.198 3.026 -4.222 1.00 1.00 C ATOM 1061 CG GLU A 73 8.386 2.003 -3.424 1.00 1.00 C ATOM 1062 CD GLU A 73 8.698 0.593 -3.913 1.00 1.00 C ATOM 1063 OE1 GLU A 73 9.276 0.471 -4.980 1.00 1.00 O ATOM 1064 OE2 GLU A 73 8.358 -0.345 -3.210 1.00 1.00 O ATOM 0 H GLU A 73 10.522 4.755 -3.079 1.00 1.00 H new ATOM 0 HA GLU A 73 10.819 1.981 -3.267 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.888 4.037 -3.959 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.011 2.902 -5.289 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.620 2.089 -2.363 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.321 2.207 -3.533 1.00 1.00 H new ATOM 1071 N THR A 74 11.851 3.677 -5.884 1.00 1.00 N ATOM 1072 CA THR A 74 12.578 3.577 -7.145 1.00 1.00 C ATOM 1073 C THR A 74 13.980 3.025 -6.911 1.00 1.00 C ATOM 1074 O THR A 74 14.485 2.229 -7.704 1.00 1.00 O ATOM 1075 CB THR A 74 12.676 4.964 -7.790 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.399 5.587 -7.759 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.144 4.833 -9.239 1.00 1.00 C ATOM 0 H THR A 74 11.690 4.632 -5.563 1.00 1.00 H new ATOM 0 HA THR A 74 12.040 2.899 -7.807 1.00 1.00 H new ATOM 0 HB THR A 74 13.395 5.569 -7.237 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.283 6.053 -6.905 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.211 5.823 -9.691 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.124 4.356 -9.263 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.431 4.227 -9.798 1.00 1.00 H new ATOM 1085 N TYR A 75 14.601 3.454 -5.820 1.00 1.00 N ATOM 1086 CA TYR A 75 15.945 3.000 -5.487 1.00 1.00 C ATOM 1087 C TYR A 75 15.990 1.476 -5.411 1.00 1.00 C ATOM 1088 O TYR A 75 16.914 0.843 -5.924 1.00 1.00 O ATOM 1089 CB TYR A 75 16.371 3.601 -4.145 1.00 1.00 C ATOM 1090 CG TYR A 75 17.688 3.009 -3.715 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.726 1.748 -3.109 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.875 3.723 -3.920 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.950 1.200 -2.707 1.00 1.00 C ATOM 1094 CE2 TYR A 75 20.100 3.176 -3.518 1.00 1.00 C ATOM 1095 CZ TYR A 75 20.137 1.915 -2.913 1.00 1.00 C ATOM 1096 OH TYR A 75 21.345 1.375 -2.517 1.00 1.00 O ATOM 0 H TYR A 75 14.198 4.113 -5.153 1.00 1.00 H new ATOM 0 HA TYR A 75 16.632 3.329 -6.267 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.460 4.684 -4.233 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.610 3.404 -3.390 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.810 1.197 -2.951 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.846 4.696 -4.388 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.979 0.227 -2.239 1.00 1.00 H new ATOM 0 HE2 TYR A 75 21.015 3.727 -3.675 1.00 1.00 H new ATOM 0 HH TYR A 75 22.069 1.999 -2.734 1.00 1.00 H new ATOM 1106 N LEU A 76 14.984 0.896 -4.768 1.00 1.00 N ATOM 1107 CA LEU A 76 14.908 -0.555 -4.623 1.00 1.00 C ATOM 1108 C LEU A 76 14.695 -1.227 -5.976 1.00 1.00 C ATOM 1109 O LEU A 76 15.232 -2.306 -6.233 1.00 1.00 O ATOM 1110 CB LEU A 76 13.749 -0.919 -3.693 1.00 1.00 C ATOM 1111 CG LEU A 76 13.797 -2.416 -3.353 1.00 1.00 C ATOM 1112 CD1 LEU A 76 15.055 -2.738 -2.538 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.559 -2.789 -2.536 1.00 1.00 C ATOM 0 H LEU A 76 14.211 1.405 -4.339 1.00 1.00 H new ATOM 0 HA LEU A 76 15.850 -0.906 -4.201 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.806 -0.328 -2.779 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.799 -0.676 -4.170 1.00 1.00 H new ATOM 0 HG LEU A 76 13.819 -2.988 -4.281 1.00 1.00 H new ATOM 0 HD11 LEU A 76 15.075 -3.803 -2.305 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.941 -2.477 -3.117 1.00 1.00 H new ATOM 0 HD13 LEU A 76 15.045 -2.164 -1.612 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.590 -3.851 -2.293 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.542 -2.206 -1.615 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.662 -2.576 -3.117 1.00 1.00 H new ATOM 1125 N LYS A 77 13.908 -0.590 -6.835 1.00 1.00 N ATOM 1126 CA LYS A 77 13.630 -1.139 -8.149 1.00 1.00 C ATOM 1127 C LYS A 77 14.934 -1.345 -8.915 1.00 1.00 C ATOM 1128 O LYS A 77 15.099 -2.339 -9.622 1.00 1.00 O ATOM 1129 CB LYS A 77 12.690 -0.189 -8.903 1.00 1.00 C ATOM 1130 CG LYS A 77 13.046 -0.142 -10.389 1.00 1.00 C ATOM 1131 CD LYS A 77 11.921 0.558 -11.161 1.00 1.00 C ATOM 1132 CE LYS A 77 11.844 2.032 -10.759 1.00 1.00 C ATOM 1133 NZ LYS A 77 11.210 2.813 -11.860 1.00 1.00 N ATOM 0 H LYS A 77 13.455 0.303 -6.643 1.00 1.00 H new ATOM 0 HA LYS A 77 13.143 -2.109 -8.050 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.658 -0.519 -8.782 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.757 0.812 -8.476 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.986 0.391 -10.532 1.00 1.00 H new ATOM 0 HG3 LYS A 77 13.190 -1.152 -10.772 1.00 1.00 H new ATOM 0 HD2 LYS A 77 12.099 0.474 -12.233 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.969 0.067 -10.957 1.00 1.00 H new ATOM 0 HE2 LYS A 77 11.266 2.140 -9.842 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.843 2.417 -10.554 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 11.157 3.816 -11.588 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.779 2.718 -12.725 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 10.251 2.450 -12.035 1.00 1.00 H new ATOM 1147 N LYS A 78 15.860 -0.404 -8.760 1.00 1.00 N ATOM 1148 CA LYS A 78 17.147 -0.500 -9.437 1.00 1.00 C ATOM 1149 C LYS A 78 17.963 -1.651 -8.856 1.00 1.00 C ATOM 1150 O LYS A 78 18.683 -2.340 -9.577 1.00 1.00 O ATOM 1151 CB LYS A 78 17.921 0.810 -9.278 1.00 1.00 C ATOM 1152 CG LYS A 78 19.401 0.567 -9.579 1.00 1.00 C ATOM 1153 CD LYS A 78 20.075 1.895 -9.934 1.00 1.00 C ATOM 1154 CE LYS A 78 19.983 2.126 -11.443 1.00 1.00 C ATOM 1155 NZ LYS A 78 20.920 1.203 -12.145 1.00 1.00 N ATOM 0 H LYS A 78 15.745 0.425 -8.178 1.00 1.00 H new ATOM 0 HA LYS A 78 16.971 -0.687 -10.496 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.521 1.566 -9.954 1.00 1.00 H new ATOM 0 HB3 LYS A 78 17.803 1.194 -8.265 1.00 1.00 H new ATOM 0 HG2 LYS A 78 19.890 0.119 -8.714 1.00 1.00 H new ATOM 0 HG3 LYS A 78 19.504 -0.137 -10.404 1.00 1.00 H new ATOM 0 HD2 LYS A 78 19.593 2.714 -9.400 1.00 1.00 H new ATOM 0 HD3 LYS A 78 21.119 1.881 -9.620 1.00 1.00 H new ATOM 0 HE2 LYS A 78 18.963 1.956 -11.786 1.00 1.00 H new ATOM 0 HE3 LYS A 78 20.230 3.161 -11.679 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 21.197 1.618 -13.058 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 21.767 1.057 -11.560 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 20.450 0.290 -12.308 1.00 1.00 H new ATOM 1169 N LEU A 79 17.835 -1.856 -7.549 1.00 1.00 N ATOM 1170 CA LEU A 79 18.560 -2.931 -6.882 1.00 1.00 C ATOM 1171 C LEU A 79 18.018 -4.288 -7.322 1.00 1.00 C ATOM 1172 O LEU A 79 18.780 -5.194 -7.658 1.00 1.00 O ATOM 1173 CB LEU A 79 18.420 -2.800 -5.363 1.00 1.00 C ATOM 1174 CG LEU A 79 19.756 -2.358 -4.756 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.143 -0.980 -5.298 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.620 -2.288 -3.234 1.00 1.00 C ATOM 0 H LEU A 79 17.242 -1.297 -6.936 1.00 1.00 H new ATOM 0 HA LEU A 79 19.612 -2.857 -7.157 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.643 -2.075 -5.121 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.112 -3.753 -4.933 1.00 1.00 H new ATOM 0 HG LEU A 79 20.530 -3.077 -5.024 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.093 -0.672 -4.863 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.240 -1.030 -6.383 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.372 -0.256 -5.035 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.568 -1.974 -2.798 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.844 -1.569 -2.971 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.351 -3.271 -2.847 1.00 1.00 H new ATOM 1188 N ILE A 80 16.695 -4.417 -7.317 1.00 1.00 N ATOM 1189 CA ILE A 80 16.055 -5.665 -7.716 1.00 1.00 C ATOM 1190 C ILE A 80 16.234 -5.908 -9.212 1.00 1.00 C ATOM 1191 O ILE A 80 16.459 -7.038 -9.645 1.00 1.00 O ATOM 1192 CB ILE A 80 14.563 -5.621 -7.371 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.399 -5.473 -5.854 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.889 -6.915 -7.836 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.928 -5.226 -5.514 1.00 1.00 C ATOM 0 H ILE A 80 16.049 -3.677 -7.043 1.00 1.00 H new ATOM 0 HA ILE A 80 16.527 -6.484 -7.173 1.00 1.00 H new ATOM 0 HB ILE A 80 14.097 -4.773 -7.874 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.752 -6.373 -5.351 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.009 -4.646 -5.492 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.828 -6.881 -7.589 1.00 1.00 H new ATOM 0 HG22 ILE A 80 14.008 -7.020 -8.914 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.351 -7.766 -7.336 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.817 -5.122 -4.435 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.590 -4.313 -6.004 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.328 -6.067 -5.861 1.00 1.00 H new ATOM 1207 N ALA A 81 16.130 -4.841 -9.997 1.00 1.00 N ATOM 1208 CA ALA A 81 16.278 -4.952 -11.444 1.00 1.00 C ATOM 1209 C ALA A 81 17.726 -5.254 -11.819 1.00 1.00 C ATOM 1210 O ALA A 81 17.997 -5.820 -12.878 1.00 1.00 O ATOM 1211 CB ALA A 81 15.838 -3.650 -12.115 1.00 1.00 C ATOM 0 H ALA A 81 15.945 -3.896 -9.659 1.00 1.00 H new ATOM 0 HA ALA A 81 15.649 -5.772 -11.790 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.952 -3.741 -13.195 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.793 -3.452 -11.875 1.00 1.00 H new ATOM 0 HB3 ALA A 81 16.455 -2.828 -11.753 1.00 1.00 H new ATOM 1306 N LYS A 88 15.697 -7.771 2.032 1.00 1.00 N ATOM 1307 CA LYS A 88 14.371 -7.163 2.121 1.00 1.00 C ATOM 1308 C LYS A 88 14.459 -5.791 2.782 1.00 1.00 C ATOM 1309 O LYS A 88 14.809 -5.680 3.957 1.00 1.00 O ATOM 1310 CB LYS A 88 13.437 -8.062 2.934 1.00 1.00 C ATOM 1311 CG LYS A 88 13.337 -9.436 2.264 1.00 1.00 C ATOM 1312 CD LYS A 88 12.803 -10.455 3.271 1.00 1.00 C ATOM 1313 CE LYS A 88 13.974 -11.104 4.013 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.452 -11.968 5.109 1.00 1.00 N ATOM 0 HA LYS A 88 13.975 -7.047 1.112 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.813 -8.169 3.952 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.449 -7.608 3.005 1.00 1.00 H new ATOM 0 HG2 LYS A 88 12.677 -9.383 1.398 1.00 1.00 H new ATOM 0 HG3 LYS A 88 14.316 -9.747 1.900 1.00 1.00 H new ATOM 0 HD2 LYS A 88 12.136 -9.965 3.981 1.00 1.00 H new ATOM 0 HD3 LYS A 88 12.217 -11.217 2.757 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.572 -11.698 3.322 1.00 1.00 H new ATOM 0 HE3 LYS A 88 14.629 -10.335 4.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 14.248 -12.409 5.613 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.899 -11.390 5.774 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 12.844 -12.710 4.707 1.00 1.00 H new ATOM 1328 N ILE A 89 14.148 -4.748 2.019 1.00 1.00 N ATOM 1329 CA ILE A 89 14.203 -3.389 2.544 1.00 1.00 C ATOM 1330 C ILE A 89 13.552 -3.320 3.924 1.00 1.00 C ATOM 1331 O ILE A 89 12.684 -4.129 4.258 1.00 1.00 O ATOM 1332 CB ILE A 89 13.521 -2.415 1.558 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.588 -1.468 0.990 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.424 -1.587 2.254 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.961 -0.521 -0.035 1.00 1.00 C ATOM 0 H ILE A 89 13.858 -4.817 1.044 1.00 1.00 H new ATOM 0 HA ILE A 89 15.246 -3.093 2.653 1.00 1.00 H new ATOM 0 HB ILE A 89 13.052 -2.994 0.762 1.00 1.00 H new ATOM 0 HG12 ILE A 89 15.042 -0.893 1.797 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.386 -2.045 0.523 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.964 -0.912 1.532 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.665 -2.256 2.659 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.865 -1.006 3.064 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.727 0.146 -0.431 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.529 -1.102 -0.850 1.00 1.00 H new ATOM 0 HD13 ILE A 89 13.180 0.069 0.445 1.00 1.00 H new ATOM 1347 N THR A 90 13.972 -2.340 4.715 1.00 1.00 N ATOM 1348 CA THR A 90 13.429 -2.152 6.052 1.00 1.00 C ATOM 1349 C THR A 90 13.208 -0.666 6.323 1.00 1.00 C ATOM 1350 O THR A 90 13.530 0.179 5.488 1.00 1.00 O ATOM 1351 CB THR A 90 14.391 -2.727 7.095 1.00 1.00 C ATOM 1352 OG1 THR A 90 14.283 -1.978 8.299 1.00 1.00 O ATOM 1353 CG2 THR A 90 15.826 -2.645 6.569 1.00 1.00 C ATOM 0 H THR A 90 14.688 -1.663 4.452 1.00 1.00 H new ATOM 0 HA THR A 90 12.475 -2.674 6.119 1.00 1.00 H new ATOM 0 HB THR A 90 14.137 -3.769 7.289 1.00 1.00 H new ATOM 0 HG1 THR A 90 14.897 -2.345 8.969 1.00 1.00 H new ATOM 0 HG21 THR A 90 16.510 -3.055 7.312 1.00 1.00 H new ATOM 0 HG22 THR A 90 15.908 -3.218 5.645 1.00 1.00 H new ATOM 0 HG23 THR A 90 16.083 -1.604 6.374 1.00 1.00 H new ATOM 1361 N GLU A 91 12.664 -0.354 7.493 1.00 1.00 N ATOM 1362 CA GLU A 91 12.409 1.035 7.863 1.00 1.00 C ATOM 1363 C GLU A 91 13.701 1.842 7.849 1.00 1.00 C ATOM 1364 O GLU A 91 13.693 3.048 7.600 1.00 1.00 O ATOM 1365 CB GLU A 91 11.790 1.096 9.262 1.00 1.00 C ATOM 1366 CG GLU A 91 12.701 0.380 10.260 1.00 1.00 C ATOM 1367 CD GLU A 91 13.248 1.378 11.276 1.00 1.00 C ATOM 1368 OE1 GLU A 91 14.103 2.163 10.905 1.00 1.00 O ATOM 1369 OE2 GLU A 91 12.801 1.340 12.410 1.00 1.00 O ATOM 0 H GLU A 91 12.392 -1.038 8.199 1.00 1.00 H new ATOM 0 HA GLU A 91 11.718 1.462 7.136 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.649 2.134 9.563 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.805 0.630 9.255 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.146 -0.406 10.772 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.524 -0.103 9.733 1.00 1.00 H new ATOM 1376 N ALA A 92 14.805 1.167 8.135 1.00 1.00 N ATOM 1377 CA ALA A 92 16.108 1.822 8.175 1.00 1.00 C ATOM 1378 C ALA A 92 16.646 2.068 6.769 1.00 1.00 C ATOM 1379 O ALA A 92 17.285 3.087 6.512 1.00 1.00 O ATOM 1380 CB ALA A 92 17.100 0.957 8.954 1.00 1.00 C ATOM 0 H ALA A 92 14.827 0.169 8.343 1.00 1.00 H new ATOM 0 HA ALA A 92 15.986 2.785 8.671 1.00 1.00 H new ATOM 0 HB1 ALA A 92 18.071 1.451 8.980 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.737 0.815 9.972 1.00 1.00 H new ATOM 0 HB3 ALA A 92 17.199 -0.012 8.465 1.00 1.00 H new ATOM 1386 N GLU A 93 16.395 1.131 5.864 1.00 1.00 N ATOM 1387 CA GLU A 93 16.871 1.270 4.494 1.00 1.00 C ATOM 1388 C GLU A 93 16.035 2.292 3.732 1.00 1.00 C ATOM 1389 O GLU A 93 16.554 3.023 2.886 1.00 1.00 O ATOM 1390 CB GLU A 93 16.810 -0.080 3.783 1.00 1.00 C ATOM 1391 CG GLU A 93 17.880 -1.011 4.357 1.00 1.00 C ATOM 1392 CD GLU A 93 19.103 -1.026 3.447 1.00 1.00 C ATOM 1393 OE1 GLU A 93 19.409 0.009 2.878 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.718 -2.074 3.334 1.00 1.00 O ATOM 0 H GLU A 93 15.871 0.276 6.050 1.00 1.00 H new ATOM 0 HA GLU A 93 17.903 1.619 4.522 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.822 -0.524 3.908 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.966 0.054 2.713 1.00 1.00 H new ATOM 0 HG2 GLU A 93 18.164 -0.679 5.356 1.00 1.00 H new ATOM 0 HG3 GLU A 93 17.480 -2.020 4.458 1.00 1.00 H new ATOM 1401 N ILE A 94 14.742 2.344 4.033 1.00 1.00 N ATOM 1402 CA ILE A 94 13.853 3.287 3.362 1.00 1.00 C ATOM 1403 C ILE A 94 14.170 4.715 3.787 1.00 1.00 C ATOM 1404 O ILE A 94 14.276 5.614 2.954 1.00 1.00 O ATOM 1405 CB ILE A 94 12.398 2.973 3.716 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.880 1.839 2.831 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.536 4.218 3.498 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.917 0.967 3.639 1.00 1.00 C ATOM 0 H ILE A 94 14.289 1.752 4.729 1.00 1.00 H new ATOM 0 HA ILE A 94 14.001 3.192 2.286 1.00 1.00 H new ATOM 0 HB ILE A 94 12.345 2.669 4.761 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.373 2.247 1.957 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.713 1.238 2.465 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.500 3.992 3.751 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.897 5.026 4.134 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.596 4.524 2.454 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.545 0.157 3.011 1.00 1.00 H new ATOM 0 HD12 ILE A 94 11.440 0.549 4.499 1.00 1.00 H new ATOM 0 HD13 ILE A 94 10.079 1.573 3.983 1.00 1.00 H new ATOM 1420 N VAL A 95 14.320 4.908 5.091 1.00 1.00 N ATOM 1421 CA VAL A 95 14.627 6.223 5.637 1.00 1.00 C ATOM 1422 C VAL A 95 16.025 6.661 5.224 1.00 1.00 C ATOM 1423 O VAL A 95 16.262 7.834 4.935 1.00 1.00 O ATOM 1424 CB VAL A 95 14.489 6.201 7.169 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.828 5.884 7.842 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.991 7.566 7.650 1.00 1.00 C ATOM 0 H VAL A 95 14.234 4.170 5.790 1.00 1.00 H new ATOM 0 HA VAL A 95 13.917 6.946 5.235 1.00 1.00 H new ATOM 0 HB VAL A 95 13.777 5.421 7.439 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.698 5.876 8.924 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.179 4.907 7.511 1.00 1.00 H new ATOM 0 HG13 VAL A 95 16.561 6.644 7.570 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.892 7.555 8.735 1.00 1.00 H new ATOM 0 HG22 VAL A 95 14.704 8.337 7.359 1.00 1.00 H new ATOM 0 HG23 VAL A 95 13.022 7.779 7.199 1.00 1.00 H new ATOM 1436 N SER A 96 16.949 5.712 5.217 1.00 1.00 N ATOM 1437 CA SER A 96 18.334 6.008 4.860 1.00 1.00 C ATOM 1438 C SER A 96 18.407 6.630 3.471 1.00 1.00 C ATOM 1439 O SER A 96 19.097 7.629 3.267 1.00 1.00 O ATOM 1440 CB SER A 96 19.170 4.729 4.888 1.00 1.00 C ATOM 1441 OG SER A 96 18.606 3.780 3.992 1.00 1.00 O ATOM 0 H SER A 96 16.770 4.736 5.452 1.00 1.00 H new ATOM 0 HA SER A 96 18.730 6.716 5.588 1.00 1.00 H new ATOM 0 HB2 SER A 96 20.199 4.947 4.604 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.198 4.321 5.898 1.00 1.00 H new ATOM 0 HG SER A 96 17.664 3.999 3.833 1.00 1.00 H new ATOM 1447 N ILE A 97 17.686 6.047 2.524 1.00 1.00 N ATOM 1448 CA ILE A 97 17.676 6.572 1.167 1.00 1.00 C ATOM 1449 C ILE A 97 16.889 7.879 1.135 1.00 1.00 C ATOM 1450 O ILE A 97 17.263 8.827 0.445 1.00 1.00 O ATOM 1451 CB ILE A 97 17.049 5.556 0.209 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.809 4.228 0.298 1.00 1.00 C ATOM 1453 CG2 ILE A 97 17.130 6.085 -1.224 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.948 3.108 -0.292 1.00 1.00 C ATOM 0 H ILE A 97 17.107 5.220 2.668 1.00 1.00 H new ATOM 0 HA ILE A 97 18.701 6.760 0.848 1.00 1.00 H new ATOM 0 HB ILE A 97 16.006 5.400 0.484 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.753 4.300 -0.243 1.00 1.00 H new ATOM 0 HG13 ILE A 97 18.053 4.005 1.337 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.683 5.361 -1.905 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.591 7.030 -1.294 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.174 6.242 -1.495 1.00 1.00 H new ATOM 0 HD11 ILE A 97 17.487 2.163 -0.229 1.00 1.00 H new ATOM 0 HD12 ILE A 97 16.016 3.032 0.268 1.00 1.00 H new ATOM 0 HD13 ILE A 97 16.727 3.331 -1.336 1.00 1.00 H new ATOM 1466 N LEU A 98 15.800 7.916 1.896 1.00 1.00 N ATOM 1467 CA LEU A 98 14.959 9.106 1.966 1.00 1.00 C ATOM 1468 C LEU A 98 15.798 10.320 2.361 1.00 1.00 C ATOM 1469 O LEU A 98 15.743 11.364 1.712 1.00 1.00 O ATOM 1470 CB LEU A 98 13.848 8.888 3.001 1.00 1.00 C ATOM 1471 CG LEU A 98 12.628 9.751 2.663 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.502 9.446 3.653 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.996 11.236 2.757 1.00 1.00 C ATOM 0 H LEU A 98 15.479 7.138 2.472 1.00 1.00 H new ATOM 0 HA LEU A 98 14.515 9.286 0.987 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.563 7.836 3.022 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.215 9.139 3.996 1.00 1.00 H new ATOM 0 HG LEU A 98 12.300 9.526 1.648 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.632 10.059 3.415 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.233 8.392 3.585 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.837 9.670 4.666 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.124 11.843 2.515 1.00 1.00 H new ATOM 0 HD22 LEU A 98 13.328 11.465 3.770 1.00 1.00 H new ATOM 0 HD23 LEU A 98 13.798 11.457 2.053 1.00 1.00 H new ATOM 1485 N ASN A 99 16.579 10.170 3.427 1.00 1.00 N ATOM 1486 CA ASN A 99 17.430 11.256 3.896 1.00 1.00 C ATOM 1487 C ASN A 99 18.387 11.697 2.793 1.00 1.00 C ATOM 1488 O ASN A 99 18.735 12.873 2.689 1.00 1.00 O ATOM 1489 CB ASN A 99 18.231 10.801 5.119 1.00 1.00 C ATOM 1490 CG ASN A 99 18.296 11.923 6.148 1.00 1.00 C ATOM 1491 OD1 ASN A 99 19.139 12.813 6.047 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.449 11.933 7.142 1.00 1.00 N ATOM 0 H ASN A 99 16.640 9.314 3.978 1.00 1.00 H new ATOM 0 HA ASN A 99 16.796 12.099 4.171 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.767 9.919 5.560 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.239 10.514 4.818 1.00 1.00 H new ATOM 0 HD21 ASN A 99 17.486 12.680 7.836 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.751 11.194 7.224 1.00 1.00 H new ATOM 1499 N GLY A 100 18.806 10.740 1.971 1.00 1.00 N ATOM 1500 CA GLY A 100 19.721 11.033 0.874 1.00 1.00 C ATOM 1501 C GLY A 100 18.998 11.764 -0.253 1.00 1.00 C ATOM 1502 O GLY A 100 19.581 12.606 -0.936 1.00 1.00 O ATOM 0 H GLY A 100 18.529 9.761 2.043 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.548 11.643 1.237 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.151 10.106 0.495 1.00 1.00 H new ATOM 1506 N ILE A 101 17.724 11.433 -0.443 1.00 1.00 N ATOM 1507 CA ILE A 101 16.926 12.061 -1.489 1.00 1.00 C ATOM 1508 C ILE A 101 16.532 13.479 -1.086 1.00 1.00 C ATOM 1509 O ILE A 101 16.588 14.403 -1.898 1.00 1.00 O ATOM 1510 CB ILE A 101 15.670 11.227 -1.751 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.038 10.019 -2.615 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.623 12.074 -2.481 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.211 8.811 -2.177 1.00 1.00 C ATOM 0 H ILE A 101 17.225 10.737 0.111 1.00 1.00 H new ATOM 0 HA ILE A 101 17.523 12.113 -2.399 1.00 1.00 H new ATOM 0 HB ILE A 101 15.257 10.890 -0.800 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.852 10.239 -3.666 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.101 9.800 -2.519 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.732 11.473 -2.664 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.360 12.936 -1.867 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.031 12.417 -3.432 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.472 7.949 -2.792 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.420 8.587 -1.131 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.151 9.034 -2.296 1.00 1.00 H new ATOM 1525 N ALA A 102 16.136 13.643 0.172 1.00 1.00 N ATOM 1526 CA ALA A 102 15.736 14.953 0.670 1.00 1.00 C ATOM 1527 C ALA A 102 16.916 15.920 0.641 1.00 1.00 C ATOM 1528 O ALA A 102 16.747 17.114 0.393 1.00 1.00 O ATOM 1529 CB ALA A 102 15.211 14.831 2.101 1.00 1.00 C ATOM 0 H ALA A 102 16.084 12.892 0.860 1.00 1.00 H new ATOM 0 HA ALA A 102 14.947 15.340 0.025 1.00 1.00 H new ATOM 0 HB1 ALA A 102 14.914 15.815 2.465 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.350 14.163 2.117 1.00 1.00 H new ATOM 0 HB3 ALA A 102 15.994 14.428 2.743 1.00 1.00 H new ATOM 1535 N LYS A 103 18.109 15.395 0.896 1.00 1.00 N ATOM 1536 CA LYS A 103 19.312 16.220 0.896 1.00 1.00 C ATOM 1537 C LYS A 103 19.736 16.552 -0.531 1.00 1.00 C ATOM 1538 O LYS A 103 20.289 17.621 -0.792 1.00 1.00 O ATOM 1539 CB LYS A 103 20.448 15.485 1.610 1.00 1.00 C ATOM 1540 CG LYS A 103 20.631 16.067 3.013 1.00 1.00 C ATOM 1541 CD LYS A 103 21.737 15.301 3.744 1.00 1.00 C ATOM 1542 CE LYS A 103 22.938 16.223 3.959 1.00 1.00 C ATOM 1543 NZ LYS A 103 22.582 17.281 4.947 1.00 1.00 N ATOM 0 H LYS A 103 18.269 14.409 1.104 1.00 1.00 H new ATOM 0 HA LYS A 103 19.092 17.149 1.422 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.223 14.420 1.673 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.373 15.583 1.041 1.00 1.00 H new ATOM 0 HG2 LYS A 103 20.888 17.124 2.949 1.00 1.00 H new ATOM 0 HG3 LYS A 103 19.697 15.999 3.571 1.00 1.00 H new ATOM 0 HD2 LYS A 103 21.369 14.936 4.703 1.00 1.00 H new ATOM 0 HD3 LYS A 103 22.034 14.428 3.163 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.792 15.648 4.318 1.00 1.00 H new ATOM 0 HE3 LYS A 103 23.234 16.678 3.014 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 23.444 17.617 5.422 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 22.125 18.076 4.455 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 21.928 16.889 5.654 1.00 1.00 H new ATOM 1557 N GLN A 104 19.472 15.629 -1.450 1.00 1.00 N ATOM 1558 CA GLN A 104 19.831 15.836 -2.849 1.00 1.00 C ATOM 1559 C GLN A 104 18.878 16.830 -3.506 1.00 1.00 C ATOM 1560 O GLN A 104 19.307 17.858 -4.030 1.00 1.00 O ATOM 1561 CB GLN A 104 19.780 14.505 -3.602 1.00 1.00 C ATOM 1562 CG GLN A 104 21.099 13.755 -3.406 1.00 1.00 C ATOM 1563 CD GLN A 104 22.075 14.118 -4.520 1.00 1.00 C ATOM 1564 OE1 GLN A 104 22.972 13.337 -4.839 1.00 1.00 O ATOM 1565 NE2 GLN A 104 21.954 15.262 -5.134 1.00 1.00 N ATOM 0 H GLN A 104 19.015 14.738 -1.255 1.00 1.00 H new ATOM 0 HA GLN A 104 20.843 16.239 -2.889 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.949 13.901 -3.238 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.605 14.682 -4.663 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.530 14.007 -2.437 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.919 12.680 -3.405 1.00 1.00 H new ATOM 0 HE21 GLN A 104 21.210 15.907 -4.868 1.00 1.00 H new ATOM 0 HE22 GLN A 104 22.603 15.511 -5.880 1.00 1.00 H new