USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 403 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 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 140:sc= -0.794 (180deg=-2.87!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.15) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= -0.0278 (180deg=-0.235) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc=-0.00358 X(o=-0.0036,f=-0.0036) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0444) USER MOD Single : A 33 SER OG : rot 76:sc= 1.22 USER MOD Single : A 35 SER OG : rot 83:sc= 1.25 USER MOD Single : A 36 GLN : amide:sc= -1.37 K(o=-1.4,f=-6!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 10.508 -6.055 -3.191 1.00 0.00 N ATOM 35 CA VAL A 3 9.541 -4.975 -3.498 1.00 0.00 C ATOM 36 C VAL A 3 8.207 -5.498 -4.047 1.00 0.00 C ATOM 37 O VAL A 3 7.173 -4.838 -3.911 1.00 0.00 O ATOM 38 CB VAL A 3 10.107 -3.882 -4.460 1.00 0.00 C ATOM 39 CG1 VAL A 3 11.258 -3.135 -3.820 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.539 -4.478 -5.797 1.00 0.00 C ATOM 0 HA VAL A 3 9.357 -4.508 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 3 9.300 -3.175 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 3 11.632 -2.381 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.914 -2.650 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.058 -3.836 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.927 -3.687 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.316 -5.223 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.682 -4.949 -6.279 1.00 0.00 H new ATOM 50 N THR A 4 8.229 -6.681 -4.629 1.00 0.00 N ATOM 51 CA THR A 4 7.045 -7.282 -5.185 1.00 0.00 C ATOM 52 C THR A 4 5.987 -7.557 -4.088 1.00 0.00 C ATOM 53 O THR A 4 4.794 -7.424 -4.330 1.00 0.00 O ATOM 54 CB THR A 4 7.377 -8.576 -6.006 1.00 0.00 C ATOM 55 OG1 THR A 4 6.225 -9.018 -6.728 1.00 0.00 O ATOM 56 CG2 THR A 4 7.869 -9.708 -5.110 1.00 0.00 C ATOM 0 H THR A 4 9.071 -7.248 -4.727 1.00 0.00 H new ATOM 0 HA THR A 4 6.615 -6.565 -5.884 1.00 0.00 H new ATOM 0 HB THR A 4 8.175 -8.316 -6.702 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.448 -9.825 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.088 -10.585 -5.719 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.773 -9.393 -4.589 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.098 -9.956 -4.380 1.00 0.00 H new ATOM 64 N LYS A 5 6.440 -7.838 -2.850 1.00 0.00 N ATOM 65 CA LYS A 5 5.509 -8.131 -1.757 1.00 0.00 C ATOM 66 C LYS A 5 4.766 -6.862 -1.356 1.00 0.00 C ATOM 67 O LYS A 5 3.637 -6.912 -0.857 1.00 0.00 O ATOM 68 CB LYS A 5 6.195 -8.795 -0.535 1.00 0.00 C ATOM 69 CG LYS A 5 7.103 -7.884 0.287 1.00 0.00 C ATOM 70 CD LYS A 5 7.862 -8.615 1.414 1.00 0.00 C ATOM 71 CE LYS A 5 6.981 -9.103 2.589 1.00 0.00 C ATOM 72 NZ LYS A 5 6.047 -10.206 2.247 1.00 0.00 N ATOM 0 H LYS A 5 7.426 -7.867 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 5 4.793 -8.864 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.421 -9.194 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.783 -9.642 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.826 -7.411 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.502 -7.086 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.378 -9.474 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.628 -7.947 1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.630 -9.433 3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.403 -8.260 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.016 -10.890 3.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.095 -9.818 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.375 -10.683 1.383 1.00 0.00 H new ATOM 86 N LEU A 6 5.401 -5.727 -1.574 1.00 0.00 N ATOM 87 CA LEU A 6 4.799 -4.458 -1.272 1.00 0.00 C ATOM 88 C LEU A 6 3.641 -4.211 -2.224 1.00 0.00 C ATOM 89 O LEU A 6 2.556 -3.859 -1.800 1.00 0.00 O ATOM 90 CB LEU A 6 5.819 -3.331 -1.379 1.00 0.00 C ATOM 91 CG LEU A 6 5.321 -1.939 -0.997 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.821 -1.925 0.443 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.428 -0.917 -1.193 1.00 0.00 C ATOM 0 H LEU A 6 6.342 -5.666 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 6 4.430 -4.479 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.671 -3.577 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.185 -3.295 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 6 4.486 -1.675 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.470 -0.925 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.001 -2.635 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.634 -2.205 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.063 0.072 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.279 -1.177 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.737 -0.912 -2.238 1.00 0.00 H new ATOM 105 N ASN A 7 3.871 -4.450 -3.503 1.00 0.00 N ATOM 106 CA ASN A 7 2.817 -4.278 -4.506 1.00 0.00 C ATOM 107 C ASN A 7 1.731 -5.332 -4.290 1.00 0.00 C ATOM 108 O ASN A 7 0.537 -5.065 -4.443 1.00 0.00 O ATOM 109 CB ASN A 7 3.379 -4.379 -5.929 1.00 0.00 C ATOM 110 CG ASN A 7 2.322 -4.135 -7.008 1.00 0.00 C ATOM 111 OD1 ASN A 7 1.378 -3.364 -6.825 1.00 0.00 O ATOM 112 ND2 ASN A 7 2.462 -4.802 -8.119 1.00 0.00 N ATOM 0 H ASN A 7 4.768 -4.761 -3.876 1.00 0.00 H new ATOM 0 HA ASN A 7 2.389 -3.282 -4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.185 -3.655 -6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.815 -5.368 -6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.779 -4.694 -8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.255 -5.432 -8.239 1.00 0.00 H new ATOM 119 N ASP A 8 2.166 -6.518 -3.895 1.00 0.00 N ATOM 120 CA ASP A 8 1.277 -7.638 -3.564 1.00 0.00 C ATOM 121 C ASP A 8 0.255 -7.251 -2.493 1.00 0.00 C ATOM 122 O ASP A 8 -0.944 -7.554 -2.627 1.00 0.00 O ATOM 123 CB ASP A 8 2.098 -8.842 -3.085 1.00 0.00 C ATOM 124 CG ASP A 8 1.254 -9.988 -2.568 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.950 -10.013 -1.360 1.00 0.00 O ATOM 126 OD2 ASP A 8 0.907 -10.895 -3.349 1.00 0.00 O ATOM 0 H ASP A 8 3.156 -6.740 -3.792 1.00 0.00 H new ATOM 0 HA ASP A 8 0.732 -7.904 -4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.716 -9.200 -3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.776 -8.517 -2.296 1.00 0.00 H new ATOM 131 N ARG A 9 0.708 -6.542 -1.451 1.00 0.00 N ATOM 132 CA ARG A 9 -0.197 -6.160 -0.374 1.00 0.00 C ATOM 133 C ARG A 9 -1.167 -5.092 -0.861 1.00 0.00 C ATOM 134 O ARG A 9 -2.306 -5.022 -0.399 1.00 0.00 O ATOM 135 CB ARG A 9 0.544 -5.681 0.893 1.00 0.00 C ATOM 136 CG ARG A 9 1.130 -4.296 0.813 1.00 0.00 C ATOM 137 CD ARG A 9 1.778 -3.894 2.110 1.00 0.00 C ATOM 138 NE ARG A 9 2.943 -4.724 2.441 1.00 0.00 N ATOM 139 CZ ARG A 9 3.875 -4.391 3.343 1.00 0.00 C ATOM 140 NH1 ARG A 9 3.733 -3.294 4.078 1.00 0.00 N ATOM 141 NH2 ARG A 9 4.919 -5.178 3.527 1.00 0.00 N ATOM 0 H ARG A 9 1.672 -6.230 -1.336 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.751 -7.055 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.149 -5.716 1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.347 -6.385 1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.866 -4.257 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.346 -3.582 0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.086 -2.850 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.046 -3.965 2.915 1.00 0.00 H new ATOM 0 HE ARG A 9 3.049 -5.613 1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.912 -2.702 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.445 -3.044 4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.013 -6.036 2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.631 -4.928 4.213 1.00 0.00 H new ATOM 155 N ILE A 10 -0.718 -4.285 -1.821 1.00 0.00 N ATOM 156 CA ILE A 10 -1.536 -3.233 -2.392 1.00 0.00 C ATOM 157 C ILE A 10 -2.629 -3.852 -3.221 1.00 0.00 C ATOM 158 O ILE A 10 -3.793 -3.499 -3.075 1.00 0.00 O ATOM 159 CB ILE A 10 -0.706 -2.266 -3.284 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.420 -1.654 -2.462 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.602 -1.161 -3.872 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.362 -0.772 -3.247 1.00 0.00 C ATOM 0 H ILE A 10 0.219 -4.347 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.954 -2.653 -1.570 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.280 -2.831 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.015 -1.069 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.994 -2.458 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.001 -0.496 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.386 -1.613 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.055 -0.590 -3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.132 -0.379 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.830 -1.355 -4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.805 0.056 -3.686 1.00 0.00 H new ATOM 174 N GLU A 11 -2.251 -4.813 -4.054 1.00 0.00 N ATOM 175 CA GLU A 11 -3.184 -5.496 -4.934 1.00 0.00 C ATOM 176 C GLU A 11 -4.282 -6.193 -4.110 1.00 0.00 C ATOM 177 O GLU A 11 -5.473 -6.178 -4.471 1.00 0.00 O ATOM 178 CB GLU A 11 -2.454 -6.516 -5.811 1.00 0.00 C ATOM 179 CG GLU A 11 -3.302 -7.000 -6.968 1.00 0.00 C ATOM 180 CD GLU A 11 -2.688 -8.115 -7.758 1.00 0.00 C ATOM 181 OE1 GLU A 11 -1.701 -7.883 -8.499 1.00 0.00 O ATOM 182 OE2 GLU A 11 -3.222 -9.235 -7.702 1.00 0.00 O ATOM 0 H GLU A 11 -1.288 -5.139 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.648 -4.754 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.539 -6.068 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.158 -7.369 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.266 -7.331 -6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.497 -6.161 -7.636 1.00 0.00 H new ATOM 189 N ALA A 12 -3.876 -6.759 -2.989 1.00 0.00 N ATOM 190 CA ALA A 12 -4.788 -7.438 -2.082 1.00 0.00 C ATOM 191 C ALA A 12 -5.667 -6.439 -1.341 1.00 0.00 C ATOM 192 O ALA A 12 -6.827 -6.715 -1.040 1.00 0.00 O ATOM 193 CB ALA A 12 -4.015 -8.275 -1.079 1.00 0.00 C ATOM 0 H ALA A 12 -2.904 -6.762 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.426 -8.090 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.713 -8.776 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.422 -9.021 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.354 -7.630 -0.499 1.00 0.00 H new ATOM 199 N LYS A 13 -5.123 -5.283 -1.052 1.00 0.00 N ATOM 200 CA LYS A 13 -5.861 -4.290 -0.310 1.00 0.00 C ATOM 201 C LYS A 13 -6.876 -3.599 -1.220 1.00 0.00 C ATOM 202 O LYS A 13 -8.013 -3.350 -0.823 1.00 0.00 O ATOM 203 CB LYS A 13 -4.909 -3.271 0.348 1.00 0.00 C ATOM 204 CG LYS A 13 -5.549 -2.425 1.445 1.00 0.00 C ATOM 205 CD LYS A 13 -6.027 -3.324 2.575 1.00 0.00 C ATOM 206 CE LYS A 13 -6.652 -2.560 3.713 1.00 0.00 C ATOM 207 NZ LYS A 13 -7.194 -3.488 4.730 1.00 0.00 N ATOM 0 H LYS A 13 -4.178 -5.007 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.406 -4.788 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.058 -3.807 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.518 -2.608 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.829 -1.700 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.387 -1.859 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.752 -4.037 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.184 -3.902 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.909 -1.906 4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.450 -1.921 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.694 -2.946 5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.855 -4.151 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.414 -4.020 5.165 1.00 0.00 H new ATOM 221 N LYS A 14 -6.478 -3.336 -2.449 1.00 0.00 N ATOM 222 CA LYS A 14 -7.353 -2.681 -3.398 1.00 0.00 C ATOM 223 C LYS A 14 -8.497 -3.590 -3.832 1.00 0.00 C ATOM 224 O LYS A 14 -9.601 -3.117 -4.064 1.00 0.00 O ATOM 225 CB LYS A 14 -6.564 -2.077 -4.584 1.00 0.00 C ATOM 226 CG LYS A 14 -5.838 -3.078 -5.470 1.00 0.00 C ATOM 227 CD LYS A 14 -4.743 -2.408 -6.311 1.00 0.00 C ATOM 228 CE LYS A 14 -5.280 -1.318 -7.219 1.00 0.00 C ATOM 229 NZ LYS A 14 -4.202 -0.686 -8.017 1.00 0.00 N ATOM 0 H LYS A 14 -5.553 -3.566 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.820 -1.837 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.255 -1.506 -5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.833 -1.372 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.394 -3.857 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.555 -3.566 -6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.991 -1.983 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.243 -3.164 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.029 -1.740 -7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.781 -0.559 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.608 0.054 -8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.500 -0.262 -7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.741 -1.406 -8.609 1.00 0.00 H new ATOM 243 N LYS A 15 -8.257 -4.904 -3.887 1.00 0.00 N ATOM 244 CA LYS A 15 -9.339 -5.817 -4.218 1.00 0.00 C ATOM 245 C LYS A 15 -10.339 -5.901 -3.072 1.00 0.00 C ATOM 246 O LYS A 15 -11.544 -6.024 -3.293 1.00 0.00 O ATOM 247 CB LYS A 15 -8.856 -7.186 -4.627 1.00 0.00 C ATOM 248 CG LYS A 15 -8.156 -7.928 -3.574 1.00 0.00 C ATOM 249 CD LYS A 15 -7.788 -9.286 -4.037 1.00 0.00 C ATOM 250 CE LYS A 15 -9.005 -10.175 -4.273 1.00 0.00 C ATOM 251 NZ LYS A 15 -8.627 -11.531 -4.692 1.00 0.00 N ATOM 0 H LYS A 15 -7.353 -5.342 -3.712 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.842 -5.404 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.711 -7.774 -4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.189 -7.081 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.258 -7.385 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.791 -8.001 -2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.215 -9.208 -4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.138 -9.754 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.596 -10.230 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.640 -9.724 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.485 -12.100 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.086 -11.482 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.043 -11.972 -3.953 1.00 0.00 H new ATOM 265 N GLU A 16 -9.827 -5.786 -1.844 1.00 0.00 N ATOM 266 CA GLU A 16 -10.657 -5.772 -0.654 1.00 0.00 C ATOM 267 C GLU A 16 -11.525 -4.524 -0.657 1.00 0.00 C ATOM 268 O GLU A 16 -12.720 -4.585 -0.336 1.00 0.00 O ATOM 269 CB GLU A 16 -9.784 -5.833 0.611 1.00 0.00 C ATOM 270 CG GLU A 16 -10.551 -5.671 1.917 1.00 0.00 C ATOM 271 CD GLU A 16 -9.677 -5.809 3.134 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.647 -5.122 3.231 1.00 0.00 O ATOM 273 OE2 GLU A 16 -10.019 -6.593 4.032 1.00 0.00 O ATOM 0 H GLU A 16 -8.828 -5.701 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.304 -6.649 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.259 -6.788 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.025 -5.053 0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.031 -4.693 1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.345 -6.417 1.960 1.00 0.00 H new ATOM 280 N LEU A 17 -10.924 -3.407 -1.059 1.00 0.00 N ATOM 281 CA LEU A 17 -11.629 -2.150 -1.151 1.00 0.00 C ATOM 282 C LEU A 17 -12.788 -2.262 -2.124 1.00 0.00 C ATOM 283 O LEU A 17 -13.907 -1.972 -1.762 1.00 0.00 O ATOM 284 CB LEU A 17 -10.699 -1.009 -1.582 1.00 0.00 C ATOM 285 CG LEU A 17 -11.362 0.372 -1.689 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.867 0.825 -0.340 1.00 0.00 C ATOM 287 CD2 LEU A 17 -10.406 1.393 -2.256 1.00 0.00 C ATOM 0 H LEU A 17 -9.941 -3.357 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.012 -1.918 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.876 -0.945 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.265 -1.262 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.209 0.283 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.333 1.805 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.600 0.110 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.033 0.887 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.903 2.361 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.534 1.475 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.089 1.081 -3.251 1.00 0.00 H new ATOM 299 N ILE A 18 -12.508 -2.736 -3.339 1.00 0.00 N ATOM 300 CA ILE A 18 -13.525 -2.889 -4.401 1.00 0.00 C ATOM 301 C ILE A 18 -14.708 -3.742 -3.909 1.00 0.00 C ATOM 302 O ILE A 18 -15.875 -3.391 -4.115 1.00 0.00 O ATOM 303 CB ILE A 18 -12.900 -3.527 -5.678 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.783 -2.620 -6.218 1.00 0.00 C ATOM 305 CG2 ILE A 18 -13.966 -3.764 -6.754 1.00 0.00 C ATOM 306 CD1 ILE A 18 -10.986 -3.217 -7.360 1.00 0.00 C ATOM 0 H ILE A 18 -11.572 -3.027 -3.623 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.895 -1.895 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.477 -4.495 -5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.224 -1.681 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.101 -2.380 -5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.502 -4.210 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.731 -4.437 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.424 -2.814 -7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.220 -2.510 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.512 -4.141 -7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.652 -3.431 -8.196 1.00 0.00 H new ATOM 318 N TYR A 19 -14.378 -4.822 -3.229 1.00 0.00 N ATOM 319 CA TYR A 19 -15.343 -5.741 -2.638 1.00 0.00 C ATOM 320 C TYR A 19 -16.277 -4.981 -1.672 1.00 0.00 C ATOM 321 O TYR A 19 -17.522 -5.077 -1.747 1.00 0.00 O ATOM 322 CB TYR A 19 -14.543 -6.826 -1.895 1.00 0.00 C ATOM 323 CG TYR A 19 -15.332 -7.899 -1.190 1.00 0.00 C ATOM 324 CD1 TYR A 19 -15.783 -9.013 -1.871 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.593 -7.816 0.172 1.00 0.00 C ATOM 326 CE1 TYR A 19 -16.477 -10.012 -1.223 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.279 -8.813 0.829 1.00 0.00 C ATOM 328 CZ TYR A 19 -16.719 -9.911 0.127 1.00 0.00 C ATOM 329 OH TYR A 19 -17.414 -10.911 0.780 1.00 0.00 O ATOM 0 H TYR A 19 -13.409 -5.096 -3.066 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.971 -6.196 -3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.881 -7.310 -2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.908 -6.333 -1.158 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.588 -9.103 -2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.252 -6.954 0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.830 -10.871 -1.774 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.470 -8.733 1.889 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.498 -10.685 1.730 1.00 0.00 H new ATOM 339 N LEU A 20 -15.674 -4.202 -0.803 1.00 0.00 N ATOM 340 CA LEU A 20 -16.411 -3.444 0.182 1.00 0.00 C ATOM 341 C LEU A 20 -17.146 -2.267 -0.457 1.00 0.00 C ATOM 342 O LEU A 20 -18.208 -1.882 0.006 1.00 0.00 O ATOM 343 CB LEU A 20 -15.489 -2.999 1.316 1.00 0.00 C ATOM 344 CG LEU A 20 -14.817 -4.144 2.096 1.00 0.00 C ATOM 345 CD1 LEU A 20 -13.867 -3.601 3.130 1.00 0.00 C ATOM 346 CD2 LEU A 20 -15.854 -5.041 2.761 1.00 0.00 C ATOM 0 H LEU A 20 -14.663 -4.076 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.174 -4.092 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.712 -2.357 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.065 -2.392 2.015 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.253 -4.742 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.404 -4.428 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.094 -3.010 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.414 -2.972 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.349 -5.840 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.453 -4.452 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -16.503 -5.474 1.999 1.00 0.00 H new ATOM 358 N VAL A 21 -16.585 -1.718 -1.522 1.00 0.00 N ATOM 359 CA VAL A 21 -17.223 -0.644 -2.290 1.00 0.00 C ATOM 360 C VAL A 21 -18.577 -1.099 -2.834 1.00 0.00 C ATOM 361 O VAL A 21 -19.575 -0.366 -2.737 1.00 0.00 O ATOM 362 CB VAL A 21 -16.314 -0.120 -3.462 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.085 0.794 -4.408 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.121 0.638 -2.906 1.00 0.00 C ATOM 0 H VAL A 21 -15.674 -2.000 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.375 0.187 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.974 -0.992 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.423 1.135 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -17.922 0.246 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.462 1.655 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.501 0.995 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.471 1.488 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.534 -0.024 -2.270 1.00 0.00 H new ATOM 374 N GLU A 22 -18.623 -2.315 -3.362 1.00 0.00 N ATOM 375 CA GLU A 22 -19.862 -2.856 -3.895 1.00 0.00 C ATOM 376 C GLU A 22 -20.902 -2.989 -2.796 1.00 0.00 C ATOM 377 O GLU A 22 -22.064 -2.650 -2.987 1.00 0.00 O ATOM 378 CB GLU A 22 -19.667 -4.231 -4.543 1.00 0.00 C ATOM 379 CG GLU A 22 -18.651 -4.291 -5.663 1.00 0.00 C ATOM 380 CD GLU A 22 -18.729 -5.600 -6.412 1.00 0.00 C ATOM 381 OE1 GLU A 22 -18.451 -6.678 -5.816 1.00 0.00 O ATOM 382 OE2 GLU A 22 -19.125 -5.585 -7.601 1.00 0.00 O ATOM 0 H GLU A 22 -17.821 -2.941 -3.432 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.200 -2.155 -4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.369 -4.938 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.628 -4.569 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.820 -3.465 -6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.649 -4.164 -5.254 1.00 0.00 H new ATOM 389 N LYS A 23 -20.478 -3.464 -1.644 1.00 0.00 N ATOM 390 CA LYS A 23 -21.409 -3.724 -0.561 1.00 0.00 C ATOM 391 C LYS A 23 -21.766 -2.481 0.277 1.00 0.00 C ATOM 392 O LYS A 23 -22.937 -2.213 0.520 1.00 0.00 O ATOM 393 CB LYS A 23 -20.889 -4.838 0.344 1.00 0.00 C ATOM 394 CG LYS A 23 -20.613 -6.134 -0.391 1.00 0.00 C ATOM 395 CD LYS A 23 -20.217 -7.246 0.559 1.00 0.00 C ATOM 396 CE LYS A 23 -19.877 -8.526 -0.191 1.00 0.00 C ATOM 397 NZ LYS A 23 -20.963 -8.970 -1.085 1.00 0.00 N ATOM 0 H LYS A 23 -19.503 -3.677 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.334 -4.040 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.973 -4.503 0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.618 -5.025 1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -21.501 -6.432 -0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.817 -5.977 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.358 -6.931 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.032 -7.437 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.971 -8.369 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.658 -9.316 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.753 -9.925 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.861 -8.985 -0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.042 -8.313 -1.888 1.00 0.00 H new ATOM 411 N TYR A 24 -20.776 -1.721 0.686 1.00 0.00 N ATOM 412 CA TYR A 24 -20.999 -0.635 1.640 1.00 0.00 C ATOM 413 C TYR A 24 -21.105 0.735 1.008 1.00 0.00 C ATOM 414 O TYR A 24 -21.732 1.626 1.583 1.00 0.00 O ATOM 415 CB TYR A 24 -19.946 -0.652 2.750 1.00 0.00 C ATOM 416 CG TYR A 24 -19.997 -1.917 3.563 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.895 -2.049 4.612 1.00 0.00 C ATOM 418 CD2 TYR A 24 -19.179 -2.994 3.260 1.00 0.00 C ATOM 419 CE1 TYR A 24 -20.970 -3.215 5.342 1.00 0.00 C ATOM 420 CE2 TYR A 24 -19.253 -4.163 3.978 1.00 0.00 C ATOM 421 CZ TYR A 24 -20.149 -4.270 5.018 1.00 0.00 C ATOM 422 OH TYR A 24 -20.226 -5.444 5.731 1.00 0.00 O ATOM 0 H TYR A 24 -19.809 -1.826 0.380 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.978 -0.828 2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.955 -0.545 2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -20.098 0.205 3.406 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -21.546 -1.224 4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -18.473 -2.913 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -21.668 -3.300 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -18.611 -4.995 3.728 1.00 0.00 H new ATOM 0 HH TYR A 24 -19.579 -6.087 5.373 1.00 0.00 H new ATOM 432 N GLY A 25 -20.502 0.931 -0.128 1.00 0.00 N ATOM 433 CA GLY A 25 -20.621 2.209 -0.768 1.00 0.00 C ATOM 434 C GLY A 25 -19.345 2.664 -1.396 1.00 0.00 C ATOM 435 O GLY A 25 -18.294 2.066 -1.192 1.00 0.00 O ATOM 0 H GLY A 25 -19.936 0.241 -0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.398 2.157 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -20.944 2.948 -0.035 1.00 0.00 H new ATOM 439 N PHE A 26 -19.432 3.739 -2.132 1.00 0.00 N ATOM 440 CA PHE A 26 -18.304 4.291 -2.855 1.00 0.00 C ATOM 441 C PHE A 26 -17.523 5.222 -1.957 1.00 0.00 C ATOM 442 O PHE A 26 -16.336 5.467 -2.171 1.00 0.00 O ATOM 443 CB PHE A 26 -18.793 5.053 -4.087 1.00 0.00 C ATOM 444 CG PHE A 26 -19.620 4.228 -5.035 1.00 0.00 C ATOM 445 CD1 PHE A 26 -19.023 3.521 -6.060 1.00 0.00 C ATOM 446 CD2 PHE A 26 -20.998 4.165 -4.900 1.00 0.00 C ATOM 447 CE1 PHE A 26 -19.782 2.767 -6.929 1.00 0.00 C ATOM 448 CE2 PHE A 26 -21.757 3.411 -5.764 1.00 0.00 C ATOM 449 CZ PHE A 26 -21.148 2.713 -6.779 1.00 0.00 C ATOM 0 H PHE A 26 -20.296 4.267 -2.252 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.657 3.474 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.382 5.910 -3.760 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.929 5.446 -4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.951 3.559 -6.182 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -21.482 4.715 -4.106 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -19.304 2.219 -7.727 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -22.830 3.368 -5.645 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.743 2.122 -7.459 1.00 0.00 H new ATOM 459 N THR A 27 -18.190 5.732 -0.957 1.00 0.00 N ATOM 460 CA THR A 27 -17.616 6.618 -0.021 1.00 0.00 C ATOM 461 C THR A 27 -18.328 6.442 1.315 1.00 0.00 C ATOM 462 O THR A 27 -19.488 6.813 1.497 1.00 0.00 O ATOM 463 CB THR A 27 -17.600 8.107 -0.526 1.00 0.00 C ATOM 464 OG1 THR A 27 -17.069 8.985 0.473 1.00 0.00 O ATOM 465 CG2 THR A 27 -18.973 8.594 -0.982 1.00 0.00 C ATOM 0 H THR A 27 -19.173 5.528 -0.779 1.00 0.00 H new ATOM 0 HA THR A 27 -16.563 6.370 0.111 1.00 0.00 H new ATOM 0 HB THR A 27 -16.947 8.125 -1.399 1.00 0.00 H new ATOM 0 HG1 THR A 27 -17.068 9.904 0.134 1.00 0.00 H new ATOM 0 HG21 THR A 27 -18.899 9.628 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 27 -19.327 7.969 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 27 -19.675 8.533 -0.151 1.00 0.00 H new ATOM 473 N HIS A 28 -17.654 5.768 2.182 1.00 0.00 N ATOM 474 CA HIS A 28 -18.132 5.459 3.502 1.00 0.00 C ATOM 475 C HIS A 28 -16.910 5.418 4.412 1.00 0.00 C ATOM 476 O HIS A 28 -15.805 5.223 3.905 1.00 0.00 O ATOM 477 CB HIS A 28 -18.863 4.095 3.451 1.00 0.00 C ATOM 478 CG HIS A 28 -19.459 3.627 4.741 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.621 4.125 5.283 1.00 0.00 N ATOM 480 CD2 HIS A 28 -19.033 2.667 5.592 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.860 3.472 6.414 1.00 0.00 C ATOM 482 NE2 HIS A 28 -19.916 2.568 6.648 1.00 0.00 N ATOM 0 H HIS A 28 -16.722 5.400 1.993 1.00 0.00 H new ATOM 0 HA HIS A 28 -18.838 6.198 3.880 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.657 4.157 2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.159 3.339 3.103 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -18.141 2.071 5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.709 3.652 7.057 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -19.856 1.932 7.443 1.00 0.00 H new ATOM 490 N HIS A 29 -17.102 5.586 5.725 1.00 0.00 N ATOM 491 CA HIS A 29 -15.996 5.632 6.723 1.00 0.00 C ATOM 492 C HIS A 29 -15.009 4.484 6.542 1.00 0.00 C ATOM 493 O HIS A 29 -13.791 4.709 6.466 1.00 0.00 O ATOM 494 CB HIS A 29 -16.532 5.608 8.171 1.00 0.00 C ATOM 495 CG HIS A 29 -17.419 6.759 8.537 1.00 0.00 C ATOM 496 ND1 HIS A 29 -16.962 8.028 8.808 1.00 0.00 N ATOM 497 CD2 HIS A 29 -18.766 6.816 8.658 1.00 0.00 C ATOM 498 CE1 HIS A 29 -18.010 8.802 9.077 1.00 0.00 C ATOM 499 NE2 HIS A 29 -19.140 8.113 8.998 1.00 0.00 N ATOM 0 H HIS A 29 -18.027 5.696 6.140 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.476 6.573 6.547 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.084 4.681 8.323 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -15.684 5.590 8.856 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -19.443 5.987 8.514 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -17.949 9.851 9.326 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -20.086 8.461 9.154 1.00 0.00 H new ATOM 507 N LYS A 30 -15.536 3.264 6.456 1.00 0.00 N ATOM 508 CA LYS A 30 -14.713 2.071 6.233 1.00 0.00 C ATOM 509 C LYS A 30 -13.915 2.219 4.944 1.00 0.00 C ATOM 510 O LYS A 30 -12.688 2.186 4.953 1.00 0.00 O ATOM 511 CB LYS A 30 -15.591 0.808 6.126 1.00 0.00 C ATOM 512 CG LYS A 30 -16.376 0.438 7.380 1.00 0.00 C ATOM 513 CD LYS A 30 -15.456 0.109 8.545 1.00 0.00 C ATOM 514 CE LYS A 30 -16.236 -0.415 9.745 1.00 0.00 C ATOM 515 NZ LYS A 30 -17.246 0.547 10.239 1.00 0.00 N ATOM 0 H LYS A 30 -16.535 3.073 6.538 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.038 1.969 7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.296 0.947 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.953 -0.034 5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.031 1.264 7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.016 -0.419 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.724 -0.636 8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.900 1.001 8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.732 -1.346 9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.540 -0.649 10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.674 0.182 11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.789 1.461 10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.985 0.674 9.519 1.00 0.00 H new ATOM 529 N VAL A 31 -14.641 2.469 3.869 1.00 0.00 N ATOM 530 CA VAL A 31 -14.095 2.584 2.521 1.00 0.00 C ATOM 531 C VAL A 31 -12.976 3.632 2.454 1.00 0.00 C ATOM 532 O VAL A 31 -11.884 3.346 1.951 1.00 0.00 O ATOM 533 CB VAL A 31 -15.234 2.930 1.514 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.712 3.095 0.095 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.315 1.850 1.557 1.00 0.00 C ATOM 0 H VAL A 31 -15.652 2.602 3.906 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.658 1.623 2.248 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.661 3.886 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.540 3.335 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.979 3.901 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.242 2.167 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.107 2.099 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.879 0.888 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.731 1.792 2.563 1.00 0.00 H new ATOM 545 N ILE A 32 -13.223 4.807 3.018 1.00 0.00 N ATOM 546 CA ILE A 32 -12.244 5.897 3.018 1.00 0.00 C ATOM 547 C ILE A 32 -10.973 5.485 3.769 1.00 0.00 C ATOM 548 O ILE A 32 -9.862 5.714 3.291 1.00 0.00 O ATOM 549 CB ILE A 32 -12.839 7.204 3.623 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.055 7.652 2.794 1.00 0.00 C ATOM 551 CG2 ILE A 32 -11.782 8.321 3.675 1.00 0.00 C ATOM 552 CD1 ILE A 32 -14.790 8.849 3.360 1.00 0.00 C ATOM 0 H ILE A 32 -14.100 5.035 3.486 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.983 6.103 1.980 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.157 7.000 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.723 7.889 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.752 6.818 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.225 9.221 4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.944 8.000 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.428 8.534 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.632 9.097 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.156 8.612 4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.111 9.700 3.415 1.00 0.00 H new ATOM 564 N SER A 33 -11.146 4.806 4.893 1.00 0.00 N ATOM 565 CA SER A 33 -10.015 4.361 5.704 1.00 0.00 C ATOM 566 C SER A 33 -9.108 3.382 4.914 1.00 0.00 C ATOM 567 O SER A 33 -7.867 3.421 5.023 1.00 0.00 O ATOM 568 CB SER A 33 -10.519 3.713 6.997 1.00 0.00 C ATOM 569 OG SER A 33 -11.339 4.624 7.741 1.00 0.00 O ATOM 0 H SER A 33 -12.059 4.549 5.268 1.00 0.00 H new ATOM 0 HA SER A 33 -9.413 5.233 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.089 2.815 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.671 3.400 7.606 1.00 0.00 H new ATOM 0 HG SER A 33 -12.222 4.687 7.321 1.00 0.00 H new ATOM 575 N PHE A 34 -9.726 2.524 4.105 1.00 0.00 N ATOM 576 CA PHE A 34 -8.966 1.585 3.290 1.00 0.00 C ATOM 577 C PHE A 34 -8.358 2.293 2.078 1.00 0.00 C ATOM 578 O PHE A 34 -7.270 1.944 1.623 1.00 0.00 O ATOM 579 CB PHE A 34 -9.826 0.400 2.837 1.00 0.00 C ATOM 580 CG PHE A 34 -10.434 -0.388 3.959 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.643 -0.995 4.915 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.801 -0.528 4.045 1.00 0.00 C ATOM 583 CE1 PHE A 34 -10.209 -1.723 5.942 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.375 -1.248 5.066 1.00 0.00 C ATOM 585 CZ PHE A 34 -11.579 -1.849 6.018 1.00 0.00 C ATOM 0 H PHE A 34 -10.738 2.461 3.998 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.161 1.192 3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.625 0.771 2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.213 -0.267 2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.569 -0.899 4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.431 -0.066 3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.580 -2.192 6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.449 -1.343 5.122 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.028 -2.416 6.820 1.00 0.00 H new ATOM 595 N SER A 35 -9.050 3.301 1.586 1.00 0.00 N ATOM 596 CA SER A 35 -8.593 4.066 0.443 1.00 0.00 C ATOM 597 C SER A 35 -7.348 4.874 0.803 1.00 0.00 C ATOM 598 O SER A 35 -6.384 4.925 0.037 1.00 0.00 O ATOM 599 CB SER A 35 -9.688 4.998 -0.029 1.00 0.00 C ATOM 600 OG SER A 35 -10.879 4.293 -0.359 1.00 0.00 O ATOM 0 H SER A 35 -9.944 3.613 1.966 1.00 0.00 H new ATOM 0 HA SER A 35 -8.341 3.372 -0.359 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.903 5.729 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.341 5.553 -0.901 1.00 0.00 H new ATOM 0 HG SER A 35 -11.394 4.121 0.457 1.00 0.00 H new ATOM 606 N GLN A 36 -7.358 5.477 1.987 1.00 0.00 N ATOM 607 CA GLN A 36 -6.222 6.256 2.451 1.00 0.00 C ATOM 608 C GLN A 36 -5.028 5.358 2.693 1.00 0.00 C ATOM 609 O GLN A 36 -3.874 5.784 2.544 1.00 0.00 O ATOM 610 CB GLN A 36 -6.565 7.038 3.716 1.00 0.00 C ATOM 611 CG GLN A 36 -7.682 8.060 3.550 1.00 0.00 C ATOM 612 CD GLN A 36 -7.358 9.202 2.590 1.00 0.00 C ATOM 613 OE1 GLN A 36 -6.596 9.056 1.620 1.00 0.00 O ATOM 614 NE2 GLN A 36 -7.916 10.339 2.853 1.00 0.00 N ATOM 0 H GLN A 36 -8.141 5.440 2.640 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.969 6.974 1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.850 6.333 4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.669 7.553 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.577 7.547 3.196 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.921 8.480 4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.537 10.428 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.735 11.146 2.256 1.00 0.00 H new ATOM 623 N GLU A 37 -5.311 4.105 3.033 1.00 0.00 N ATOM 624 CA GLU A 37 -4.288 3.122 3.233 1.00 0.00 C ATOM 625 C GLU A 37 -3.627 2.837 1.888 1.00 0.00 C ATOM 626 O GLU A 37 -2.415 2.788 1.784 1.00 0.00 O ATOM 627 CB GLU A 37 -4.896 1.843 3.796 1.00 0.00 C ATOM 628 CG GLU A 37 -3.882 0.912 4.408 1.00 0.00 C ATOM 629 CD GLU A 37 -3.252 1.531 5.626 1.00 0.00 C ATOM 630 OE1 GLU A 37 -3.834 1.414 6.718 1.00 0.00 O ATOM 631 OE2 GLU A 37 -2.211 2.195 5.516 1.00 0.00 O ATOM 0 H GLU A 37 -6.259 3.757 3.174 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.548 3.492 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.638 2.105 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.423 1.319 2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.363 -0.028 4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.111 0.675 3.675 1.00 0.00 H new ATOM 638 N LEU A 38 -4.451 2.695 0.852 1.00 0.00 N ATOM 639 CA LEU A 38 -3.962 2.472 -0.505 1.00 0.00 C ATOM 640 C LEU A 38 -3.147 3.627 -0.993 1.00 0.00 C ATOM 641 O LEU A 38 -2.122 3.429 -1.611 1.00 0.00 O ATOM 642 CB LEU A 38 -5.093 2.218 -1.475 1.00 0.00 C ATOM 643 CG LEU A 38 -5.767 0.874 -1.378 1.00 0.00 C ATOM 644 CD1 LEU A 38 -6.919 0.827 -2.342 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.763 -0.222 -1.704 1.00 0.00 C ATOM 0 H LEU A 38 -5.467 2.731 0.929 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.331 1.584 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.848 2.991 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.708 2.335 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.142 0.719 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.410 -0.144 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.633 1.612 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.551 0.978 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.250 -1.194 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.383 -0.078 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.935 -0.179 -0.996 1.00 0.00 H new ATOM 657 N ASP A 39 -3.608 4.831 -0.706 1.00 0.00 N ATOM 658 CA ASP A 39 -2.893 6.053 -1.085 1.00 0.00 C ATOM 659 C ASP A 39 -1.493 6.029 -0.478 1.00 0.00 C ATOM 660 O ASP A 39 -0.496 6.323 -1.144 1.00 0.00 O ATOM 661 CB ASP A 39 -3.655 7.285 -0.585 1.00 0.00 C ATOM 662 CG ASP A 39 -3.046 8.587 -1.054 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.147 9.132 -0.369 1.00 0.00 O ATOM 664 OD2 ASP A 39 -3.465 9.101 -2.118 1.00 0.00 O ATOM 0 H ASP A 39 -4.482 4.997 -0.207 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.818 6.103 -2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.688 7.230 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.679 7.273 0.505 1.00 0.00 H new ATOM 669 N ARG A 40 -1.446 5.617 0.775 1.00 0.00 N ATOM 670 CA ARG A 40 -0.219 5.481 1.544 1.00 0.00 C ATOM 671 C ARG A 40 0.674 4.374 0.958 1.00 0.00 C ATOM 672 O ARG A 40 1.868 4.569 0.761 1.00 0.00 O ATOM 673 CB ARG A 40 -0.594 5.141 2.985 1.00 0.00 C ATOM 674 CG ARG A 40 0.559 4.889 3.929 1.00 0.00 C ATOM 675 CD ARG A 40 0.020 4.446 5.269 1.00 0.00 C ATOM 676 NE ARG A 40 1.073 4.095 6.219 1.00 0.00 N ATOM 677 CZ ARG A 40 1.020 3.055 7.057 1.00 0.00 C ATOM 678 NH1 ARG A 40 -0.011 2.206 7.018 1.00 0.00 N ATOM 679 NH2 ARG A 40 1.994 2.865 7.935 1.00 0.00 N ATOM 0 H ARG A 40 -2.281 5.360 1.302 1.00 0.00 H new ATOM 0 HA ARG A 40 0.341 6.415 1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.193 5.958 3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.229 4.255 2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.219 4.125 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.154 5.795 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.591 5.244 5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.634 3.586 5.125 1.00 0.00 H new ATOM 0 HE ARG A 40 1.905 4.684 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.764 2.349 6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.045 1.415 7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.782 3.512 7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.956 2.072 8.576 1.00 0.00 H new ATOM 693 N LEU A 41 0.081 3.225 0.671 1.00 0.00 N ATOM 694 CA LEU A 41 0.821 2.086 0.129 1.00 0.00 C ATOM 695 C LEU A 41 1.336 2.391 -1.275 1.00 0.00 C ATOM 696 O LEU A 41 2.468 2.056 -1.616 1.00 0.00 O ATOM 697 CB LEU A 41 -0.033 0.818 0.121 1.00 0.00 C ATOM 698 CG LEU A 41 -0.605 0.368 1.469 1.00 0.00 C ATOM 699 CD1 LEU A 41 -1.430 -0.897 1.306 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.502 0.158 2.489 1.00 0.00 C ATOM 0 H LEU A 41 -0.915 3.052 0.804 1.00 0.00 H new ATOM 0 HA LEU A 41 1.676 1.910 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.864 0.971 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.569 0.004 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.258 1.159 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.827 -1.200 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.255 -0.708 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.801 -1.693 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.068 -0.161 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.189 -0.608 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.045 1.092 2.635 1.00 0.00 H new ATOM 712 N LEU A 42 0.502 3.039 -2.074 1.00 0.00 N ATOM 713 CA LEU A 42 0.880 3.496 -3.412 1.00 0.00 C ATOM 714 C LEU A 42 2.046 4.475 -3.317 1.00 0.00 C ATOM 715 O LEU A 42 2.934 4.496 -4.169 1.00 0.00 O ATOM 716 CB LEU A 42 -0.304 4.201 -4.085 1.00 0.00 C ATOM 717 CG LEU A 42 -0.057 4.761 -5.490 1.00 0.00 C ATOM 718 CD1 LEU A 42 0.141 3.648 -6.508 1.00 0.00 C ATOM 719 CD2 LEU A 42 -1.180 5.694 -5.898 1.00 0.00 C ATOM 0 H LEU A 42 -0.459 3.266 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 42 1.172 2.628 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.134 3.497 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.623 5.021 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 42 0.867 5.338 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.314 4.082 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.001 3.043 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.750 3.021 -6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.986 6.081 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.124 5.149 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.238 6.523 -5.193 1.00 0.00 H new ATOM 731 N ASN A 43 2.053 5.253 -2.252 1.00 0.00 N ATOM 732 CA ASN A 43 3.083 6.258 -2.031 1.00 0.00 C ATOM 733 C ASN A 43 4.415 5.582 -1.752 1.00 0.00 C ATOM 734 O ASN A 43 5.474 6.109 -2.064 1.00 0.00 O ATOM 735 CB ASN A 43 2.711 7.166 -0.870 1.00 0.00 C ATOM 736 CG ASN A 43 3.488 8.455 -0.876 1.00 0.00 C ATOM 737 OD1 ASN A 43 4.562 8.561 -0.304 1.00 0.00 O ATOM 738 ND2 ASN A 43 2.938 9.451 -1.508 1.00 0.00 N ATOM 0 H ASN A 43 1.349 5.209 -1.516 1.00 0.00 H new ATOM 0 HA ASN A 43 3.169 6.867 -2.931 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.645 7.388 -0.913 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.890 6.642 0.069 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.405 10.357 -1.537 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.040 9.325 -1.975 1.00 0.00 H new ATOM 745 N LEU A 44 4.347 4.386 -1.210 1.00 0.00 N ATOM 746 CA LEU A 44 5.528 3.598 -0.940 1.00 0.00 C ATOM 747 C LEU A 44 6.180 3.174 -2.260 1.00 0.00 C ATOM 748 O LEU A 44 7.391 3.055 -2.350 1.00 0.00 O ATOM 749 CB LEU A 44 5.197 2.392 -0.057 1.00 0.00 C ATOM 750 CG LEU A 44 4.554 2.717 1.302 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.243 1.449 2.072 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.450 3.631 2.123 1.00 0.00 C ATOM 0 H LEU A 44 3.472 3.933 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 44 6.242 4.208 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.525 1.735 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.115 1.832 0.121 1.00 0.00 H new ATOM 0 HG LEU A 44 3.617 3.239 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.789 1.707 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.551 0.834 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.165 0.893 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.973 3.846 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.408 3.141 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.613 4.563 1.582 1.00 0.00 H new ATOM 764 N LEU A 45 5.366 2.977 -3.293 1.00 0.00 N ATOM 765 CA LEU A 45 5.896 2.690 -4.627 1.00 0.00 C ATOM 766 C LEU A 45 6.525 3.961 -5.198 1.00 0.00 C ATOM 767 O LEU A 45 7.525 3.917 -5.924 1.00 0.00 O ATOM 768 CB LEU A 45 4.801 2.183 -5.578 1.00 0.00 C ATOM 769 CG LEU A 45 4.097 0.878 -5.193 1.00 0.00 C ATOM 770 CD1 LEU A 45 3.058 0.518 -6.243 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.099 -0.259 -5.027 1.00 0.00 C ATOM 0 H LEU A 45 4.348 3.010 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 45 6.645 1.903 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.044 2.962 -5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.244 2.051 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 45 3.599 1.028 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.563 -0.411 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.319 1.316 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.546 0.390 -7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.571 -1.172 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.632 -0.415 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.812 -0.004 -4.243 1.00 0.00 H new ATOM 783 N ILE A 46 5.953 5.097 -4.833 1.00 0.00 N ATOM 784 CA ILE A 46 6.462 6.403 -5.230 1.00 0.00 C ATOM 785 C ILE A 46 7.822 6.656 -4.559 1.00 0.00 C ATOM 786 O ILE A 46 8.675 7.391 -5.086 1.00 0.00 O ATOM 787 CB ILE A 46 5.442 7.530 -4.888 1.00 0.00 C ATOM 788 CG1 ILE A 46 4.128 7.284 -5.650 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.006 8.918 -5.201 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.034 8.279 -5.347 1.00 0.00 C ATOM 0 H ILE A 46 5.118 5.141 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 46 6.601 6.413 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 46 5.245 7.502 -3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.334 7.304 -6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.767 6.283 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.265 9.677 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.910 9.084 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.245 8.983 -6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.145 8.030 -5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.795 8.245 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.371 9.282 -5.611 1.00 0.00 H new ATOM 802 N GLU A 47 8.028 6.019 -3.426 1.00 0.00 N ATOM 803 CA GLU A 47 9.288 6.082 -2.727 1.00 0.00 C ATOM 804 C GLU A 47 10.375 5.451 -3.610 1.00 0.00 C ATOM 805 O GLU A 47 11.464 5.998 -3.759 1.00 0.00 O ATOM 806 CB GLU A 47 9.187 5.358 -1.387 1.00 0.00 C ATOM 807 CG GLU A 47 10.322 5.664 -0.441 1.00 0.00 C ATOM 808 CD GLU A 47 10.310 7.110 -0.027 1.00 0.00 C ATOM 809 OE1 GLU A 47 10.931 7.947 -0.709 1.00 0.00 O ATOM 810 OE2 GLU A 47 9.658 7.443 0.979 1.00 0.00 O ATOM 0 H GLU A 47 7.324 5.443 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 47 9.548 7.121 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.245 5.628 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.156 4.283 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.244 5.030 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.272 5.428 -0.920 1.00 0.00 H new