USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot -21:sc= 1.38 USER MOD Set 1.2: A 46 LYS NZ :NH3+ -160:sc= 0.843 (180deg=0) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 144:sc= 2.21 (180deg=0.962) USER MOD Set 2.2: A 23 TYR OH : rot -15:sc= 0.76 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.305 X(o=-0.31,f=0.045) USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= 1.08 (180deg=0.977) USER MOD Single : A 5 LYS NZ :NH3+ -151:sc= 2.19 (180deg=0.424) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 1.4 (180deg=1.37) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.343 K(o=0.34,f=-7!) USER MOD Single : A 33 THR OG1 : rot -112:sc= 1.23 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.02) USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= 1.26 (180deg=1.01) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.3 K(o=1.3,f=-4.6!) USER MOD Single : A 60 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 65 GLN : amide:sc= 1.2 K(o=1.2,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.876 -46.910 -2.117 1.00 0.00 N ATOM 2 CA MET A 1 13.056 -45.464 -2.242 1.00 0.00 C ATOM 3 C MET A 1 13.994 -45.032 -3.399 1.00 0.00 C ATOM 4 O MET A 1 15.003 -45.688 -3.694 1.00 0.00 O ATOM 5 CB MET A 1 13.513 -44.880 -0.875 1.00 0.00 C ATOM 6 CG MET A 1 14.865 -45.408 -0.328 1.00 0.00 C ATOM 7 SD MET A 1 15.321 -44.641 1.248 1.00 0.00 S ATOM 8 CE MET A 1 14.693 -45.865 2.426 1.00 0.00 C ATOM 0 H1 MET A 1 12.237 -47.113 -1.322 1.00 0.00 H new ATOM 0 H2 MET A 1 12.466 -47.286 -2.996 1.00 0.00 H new ATOM 0 H3 MET A 1 13.797 -47.361 -1.944 1.00 0.00 H new ATOM 0 HA MET A 1 12.087 -45.046 -2.515 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.580 -43.796 -0.970 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.739 -45.088 -0.136 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.804 -46.489 -0.199 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.649 -45.219 -1.061 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.900 -45.531 3.443 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.617 -45.979 2.294 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.183 -46.823 2.251 1.00 0.00 H new ATOM 20 N LEU A 2 13.621 -43.924 -4.063 1.00 0.00 N ATOM 21 CA LEU A 2 14.354 -43.300 -5.172 1.00 0.00 C ATOM 22 C LEU A 2 14.544 -44.241 -6.382 1.00 0.00 C ATOM 23 O LEU A 2 13.607 -44.437 -7.162 1.00 0.00 O ATOM 24 CB LEU A 2 15.674 -42.583 -4.709 1.00 0.00 C ATOM 25 CG LEU A 2 15.513 -41.231 -3.967 1.00 0.00 C ATOM 26 CD1 LEU A 2 14.971 -41.354 -2.533 1.00 0.00 C ATOM 27 CD2 LEU A 2 16.864 -40.500 -3.918 1.00 0.00 C ATOM 0 H LEU A 2 12.765 -43.420 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 2 13.712 -42.500 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 2 16.220 -43.265 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 2 16.296 -42.416 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 2 14.772 -40.671 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 2 14.890 -40.362 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.988 -41.823 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 2 15.651 -41.964 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 2 16.745 -39.551 -3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 2 17.592 -41.116 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 2 17.214 -40.314 -4.933 1.00 0.00 H new ATOM 39 N GLN A 3 15.717 -44.882 -6.485 1.00 0.00 N ATOM 40 CA GLN A 3 16.165 -45.647 -7.654 1.00 0.00 C ATOM 41 C GLN A 3 15.283 -46.855 -8.027 1.00 0.00 C ATOM 42 O GLN A 3 14.905 -46.997 -9.191 1.00 0.00 O ATOM 43 CB GLN A 3 17.687 -46.001 -7.542 1.00 0.00 C ATOM 44 CG GLN A 3 18.304 -46.342 -6.141 1.00 0.00 C ATOM 45 CD GLN A 3 17.764 -47.627 -5.509 1.00 0.00 C ATOM 46 OE1 GLN A 3 18.196 -48.724 -5.831 1.00 0.00 O ATOM 47 NE2 GLN A 3 16.815 -47.596 -4.592 1.00 0.00 N ATOM 0 H GLN A 3 16.403 -44.881 -5.730 1.00 0.00 H new ATOM 0 HA GLN A 3 16.037 -44.982 -8.508 1.00 0.00 H new ATOM 0 HB2 GLN A 3 17.872 -46.853 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 3 18.248 -45.160 -7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 3 19.385 -46.429 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 3 18.115 -45.510 -5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 3 16.424 -46.703 -4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 3 16.472 -48.465 -4.183 1.00 0.00 H new ATOM 56 N LYS A 4 14.921 -47.677 -7.033 1.00 0.00 N ATOM 57 CA LYS A 4 14.006 -48.813 -7.172 1.00 0.00 C ATOM 58 C LYS A 4 12.606 -48.400 -7.670 1.00 0.00 C ATOM 59 O LYS A 4 12.040 -49.040 -8.560 1.00 0.00 O ATOM 60 CB LYS A 4 13.961 -49.515 -5.784 1.00 0.00 C ATOM 61 CG LYS A 4 12.933 -50.658 -5.652 1.00 0.00 C ATOM 62 CD LYS A 4 13.083 -51.417 -4.318 1.00 0.00 C ATOM 63 CE LYS A 4 11.941 -52.403 -4.030 1.00 0.00 C ATOM 64 NZ LYS A 4 11.892 -53.441 -5.056 1.00 0.00 N ATOM 0 H LYS A 4 15.269 -47.564 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 4 14.367 -49.497 -7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.952 -49.913 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.744 -48.765 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.925 -50.250 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.056 -51.354 -6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.027 -51.962 -4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.139 -50.694 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.084 -52.858 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.991 -51.869 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.414 -54.283 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.367 -53.089 -5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.860 -53.692 -5.343 1.00 0.00 H new ATOM 78 N LYS A 5 12.062 -47.307 -7.120 1.00 0.00 N ATOM 79 CA LYS A 5 10.754 -46.785 -7.510 1.00 0.00 C ATOM 80 C LYS A 5 10.739 -46.097 -8.887 1.00 0.00 C ATOM 81 O LYS A 5 9.790 -46.354 -9.626 1.00 0.00 O ATOM 82 CB LYS A 5 10.178 -45.904 -6.389 1.00 0.00 C ATOM 83 CG LYS A 5 9.743 -46.758 -5.174 1.00 0.00 C ATOM 84 CD LYS A 5 9.174 -45.947 -3.987 1.00 0.00 C ATOM 85 CE LYS A 5 7.679 -45.580 -4.047 1.00 0.00 C ATOM 86 NZ LYS A 5 7.412 -44.561 -5.060 1.00 0.00 N ATOM 0 H LYS A 5 12.521 -46.761 -6.391 1.00 0.00 H new ATOM 0 HA LYS A 5 10.093 -47.642 -7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.925 -45.175 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.324 -45.342 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.990 -47.475 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.601 -47.334 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.347 -46.516 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.747 -45.024 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.094 -46.473 -4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.354 -45.217 -3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.586 -43.997 -4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.240 -43.939 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.219 -45.021 -5.973 1.00 0.00 H new ATOM 100 N ILE A 6 11.727 -45.274 -9.299 1.00 0.00 N ATOM 101 CA ILE A 6 11.801 -44.777 -10.692 1.00 0.00 C ATOM 102 C ILE A 6 11.962 -45.961 -11.667 1.00 0.00 C ATOM 103 O ILE A 6 11.329 -45.965 -12.721 1.00 0.00 O ATOM 104 CB ILE A 6 12.946 -43.741 -10.946 1.00 0.00 C ATOM 105 CG1 ILE A 6 12.927 -42.589 -9.919 1.00 0.00 C ATOM 106 CG2 ILE A 6 12.868 -43.107 -12.385 1.00 0.00 C ATOM 107 CD1 ILE A 6 14.353 -42.158 -9.551 1.00 0.00 C ATOM 0 H ILE A 6 12.478 -44.942 -8.694 1.00 0.00 H new ATOM 0 HA ILE A 6 10.863 -44.250 -10.866 1.00 0.00 H new ATOM 0 HB ILE A 6 13.871 -44.309 -10.845 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.381 -41.740 -10.330 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.396 -42.906 -9.021 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.683 -42.395 -12.513 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.952 -43.894 -13.134 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.915 -42.593 -12.505 1.00 0.00 H new ATOM 0 HD11 ILE A 6 14.312 -41.345 -8.826 1.00 0.00 H new ATOM 0 HD12 ILE A 6 14.888 -43.003 -9.118 1.00 0.00 H new ATOM 0 HD13 ILE A 6 14.873 -41.819 -10.447 1.00 0.00 H new ATOM 119 N GLU A 7 12.769 -46.978 -11.312 1.00 0.00 N ATOM 120 CA GLU A 7 12.849 -48.233 -12.062 1.00 0.00 C ATOM 121 C GLU A 7 11.489 -48.959 -12.120 1.00 0.00 C ATOM 122 O GLU A 7 10.959 -49.088 -13.217 1.00 0.00 O ATOM 123 CB GLU A 7 13.944 -49.125 -11.430 1.00 0.00 C ATOM 124 CG GLU A 7 14.237 -50.452 -12.193 1.00 0.00 C ATOM 125 CD GLU A 7 15.233 -51.327 -11.431 1.00 0.00 C ATOM 126 OE1 GLU A 7 14.812 -52.018 -10.505 1.00 0.00 O ATOM 127 OE2 GLU A 7 16.410 -51.310 -11.779 1.00 0.00 O ATOM 0 H GLU A 7 13.381 -46.947 -10.497 1.00 0.00 H new ATOM 0 HA GLU A 7 13.116 -48.011 -13.095 1.00 0.00 H new ATOM 0 HB2 GLU A 7 14.867 -48.549 -11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.648 -49.368 -10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.307 -51.001 -12.341 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.633 -50.224 -13.182 1.00 0.00 H new ATOM 134 N GLU A 8 10.862 -49.403 -11.021 1.00 0.00 N ATOM 135 CA GLU A 8 9.608 -50.169 -11.091 1.00 0.00 C ATOM 136 C GLU A 8 8.351 -49.363 -11.493 1.00 0.00 C ATOM 137 O GLU A 8 7.392 -49.963 -11.983 1.00 0.00 O ATOM 138 CB GLU A 8 9.389 -50.944 -9.769 1.00 0.00 C ATOM 139 CG GLU A 8 10.445 -52.080 -9.590 1.00 0.00 C ATOM 140 CD GLU A 8 10.205 -52.926 -8.339 1.00 0.00 C ATOM 141 OE1 GLU A 8 9.262 -53.712 -8.321 1.00 0.00 O ATOM 142 OE2 GLU A 8 10.984 -52.812 -7.391 1.00 0.00 O ATOM 0 H GLU A 8 11.203 -49.245 -10.073 1.00 0.00 H new ATOM 0 HA GLU A 8 9.739 -50.867 -11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.449 -50.254 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.387 -51.373 -9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.428 -52.726 -10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.440 -51.639 -9.538 1.00 0.00 H new ATOM 149 N GLU A 9 8.295 -48.034 -11.313 1.00 0.00 N ATOM 150 CA GLU A 9 7.162 -47.217 -11.770 1.00 0.00 C ATOM 151 C GLU A 9 7.390 -46.565 -13.145 1.00 0.00 C ATOM 152 O GLU A 9 6.395 -46.183 -13.769 1.00 0.00 O ATOM 153 CB GLU A 9 6.777 -46.191 -10.668 1.00 0.00 C ATOM 154 CG GLU A 9 6.477 -46.908 -9.308 1.00 0.00 C ATOM 155 CD GLU A 9 6.028 -45.972 -8.188 1.00 0.00 C ATOM 156 OE1 GLU A 9 6.871 -45.344 -7.544 1.00 0.00 O ATOM 157 OE2 GLU A 9 4.827 -45.933 -7.915 1.00 0.00 O ATOM 0 H GLU A 9 9.029 -47.499 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 9 6.314 -47.884 -11.930 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.588 -45.475 -10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.901 -45.624 -10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.704 -47.659 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.373 -47.438 -8.985 1.00 0.00 H new ATOM 164 N ALA A 10 8.616 -46.319 -13.630 1.00 0.00 N ATOM 165 CA ALA A 10 8.894 -46.101 -15.060 1.00 0.00 C ATOM 166 C ALA A 10 9.627 -47.167 -15.922 1.00 0.00 C ATOM 167 O ALA A 10 10.116 -46.790 -16.996 1.00 0.00 O ATOM 168 CB ALA A 10 9.590 -44.715 -15.114 1.00 0.00 C ATOM 0 H ALA A 10 9.447 -46.265 -13.040 1.00 0.00 H new ATOM 0 HA ALA A 10 7.930 -46.179 -15.563 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.834 -44.471 -16.148 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.920 -43.956 -14.710 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.505 -44.744 -14.522 1.00 0.00 H new ATOM 174 N ALA A 11 9.685 -48.471 -15.606 1.00 0.00 N ATOM 175 CA ALA A 11 10.381 -49.539 -16.364 1.00 0.00 C ATOM 176 C ALA A 11 10.080 -49.784 -17.873 1.00 0.00 C ATOM 177 O ALA A 11 10.408 -50.857 -18.387 1.00 0.00 O ATOM 178 CB ALA A 11 10.104 -50.848 -15.573 1.00 0.00 C ATOM 0 H ALA A 11 9.225 -48.834 -14.771 1.00 0.00 H new ATOM 0 HA ALA A 11 11.414 -49.196 -16.427 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.589 -51.686 -16.074 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.499 -50.753 -14.562 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.029 -51.025 -15.527 1.00 0.00 H new ATOM 184 N LYS A 12 9.540 -48.798 -18.610 1.00 0.00 N ATOM 185 CA LYS A 12 9.067 -48.894 -20.004 1.00 0.00 C ATOM 186 C LYS A 12 8.083 -50.075 -20.197 1.00 0.00 C ATOM 187 O LYS A 12 8.238 -50.979 -21.024 1.00 0.00 O ATOM 188 CB LYS A 12 10.291 -48.905 -20.972 1.00 0.00 C ATOM 189 CG LYS A 12 9.931 -48.602 -22.445 1.00 0.00 C ATOM 190 CD LYS A 12 11.180 -48.640 -23.345 1.00 0.00 C ATOM 191 CE LYS A 12 10.820 -48.354 -24.801 1.00 0.00 C ATOM 192 NZ LYS A 12 12.046 -48.431 -25.582 1.00 0.00 N ATOM 0 H LYS A 12 9.414 -47.860 -18.229 1.00 0.00 H new ATOM 0 HA LYS A 12 8.478 -48.012 -20.255 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.019 -48.171 -20.628 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.773 -49.881 -20.920 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.202 -49.330 -22.801 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.461 -47.621 -22.512 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.906 -47.905 -22.996 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.656 -49.618 -23.271 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.089 -49.077 -25.164 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.367 -47.367 -24.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.833 -48.240 -26.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.725 -47.726 -25.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.456 -49.382 -25.491 1.00 0.00 H new ATOM 206 N TYR A 13 7.014 -50.025 -19.396 1.00 0.00 N ATOM 207 CA TYR A 13 6.216 -51.193 -19.086 1.00 0.00 C ATOM 208 C TYR A 13 4.715 -50.960 -19.399 1.00 0.00 C ATOM 209 O TYR A 13 4.376 -50.388 -20.436 1.00 0.00 O ATOM 210 CB TYR A 13 6.602 -51.566 -17.603 1.00 0.00 C ATOM 211 CG TYR A 13 6.068 -50.621 -16.498 1.00 0.00 C ATOM 212 CD1 TYR A 13 6.342 -49.253 -16.401 1.00 0.00 C ATOM 213 CD2 TYR A 13 5.200 -51.148 -15.549 1.00 0.00 C ATOM 214 CE1 TYR A 13 5.734 -48.493 -15.435 1.00 0.00 C ATOM 215 CE2 TYR A 13 4.611 -50.378 -14.569 1.00 0.00 C ATOM 216 CZ TYR A 13 4.878 -49.039 -14.520 1.00 0.00 C ATOM 217 OH TYR A 13 4.319 -48.233 -13.576 1.00 0.00 O ATOM 0 H TYR A 13 6.686 -49.169 -18.949 1.00 0.00 H new ATOM 0 HA TYR A 13 6.423 -52.058 -19.716 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.239 -52.573 -17.398 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.689 -51.598 -17.530 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.035 -48.793 -17.090 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.978 -52.204 -15.581 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.937 -47.433 -15.396 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.945 -50.828 -13.848 1.00 0.00 H new ATOM 0 HH TYR A 13 4.864 -47.425 -13.471 1.00 0.00 H new ATOM 227 N LYS A 14 3.800 -51.396 -18.532 1.00 0.00 N ATOM 228 CA LYS A 14 2.350 -51.300 -18.721 1.00 0.00 C ATOM 229 C LYS A 14 1.808 -49.879 -18.479 1.00 0.00 C ATOM 230 O LYS A 14 1.131 -49.296 -19.329 1.00 0.00 O ATOM 231 CB LYS A 14 1.639 -52.302 -17.772 1.00 0.00 C ATOM 232 CG LYS A 14 1.996 -53.778 -18.043 1.00 0.00 C ATOM 233 CD LYS A 14 1.291 -54.701 -17.033 1.00 0.00 C ATOM 234 CE LYS A 14 1.655 -56.163 -17.270 1.00 0.00 C ATOM 235 NZ LYS A 14 0.951 -56.955 -16.273 1.00 0.00 N ATOM 0 H LYS A 14 4.055 -51.840 -17.650 1.00 0.00 H new ATOM 0 HA LYS A 14 2.142 -51.546 -19.762 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.899 -52.059 -16.742 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.561 -52.175 -17.867 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.702 -54.048 -19.057 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.075 -53.915 -17.977 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.570 -54.414 -16.019 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.211 -54.575 -17.114 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.370 -56.471 -18.276 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.732 -56.309 -17.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.177 -57.961 -16.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.246 -56.657 -15.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.074 -56.814 -16.378 1.00 0.00 H new ATOM 249 N TYR A 15 2.126 -49.298 -17.316 1.00 0.00 N ATOM 250 CA TYR A 15 1.561 -48.020 -16.885 1.00 0.00 C ATOM 251 C TYR A 15 2.406 -46.816 -17.358 1.00 0.00 C ATOM 252 O TYR A 15 3.057 -46.087 -16.599 1.00 0.00 O ATOM 253 CB TYR A 15 1.332 -48.070 -15.350 1.00 0.00 C ATOM 254 CG TYR A 15 0.426 -49.244 -14.939 1.00 0.00 C ATOM 255 CD1 TYR A 15 -0.837 -49.426 -15.482 1.00 0.00 C ATOM 256 CD2 TYR A 15 0.859 -50.182 -14.019 1.00 0.00 C ATOM 257 CE1 TYR A 15 -1.629 -50.501 -15.128 1.00 0.00 C ATOM 258 CE2 TYR A 15 0.076 -51.261 -13.661 1.00 0.00 C ATOM 259 CZ TYR A 15 -1.167 -51.420 -14.217 1.00 0.00 C ATOM 260 OH TYR A 15 -1.921 -52.490 -13.863 1.00 0.00 O ATOM 0 H TYR A 15 2.783 -49.703 -16.649 1.00 0.00 H new ATOM 0 HA TYR A 15 0.594 -47.864 -17.362 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.293 -48.159 -14.843 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.883 -47.133 -15.020 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.210 -48.710 -16.199 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.834 -50.067 -13.569 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.609 -50.619 -15.566 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.443 -51.980 -12.943 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.433 -53.032 -13.209 1.00 0.00 H new ATOM 270 N ALA A 16 2.327 -46.653 -18.686 1.00 0.00 N ATOM 271 CA ALA A 16 3.023 -45.620 -19.456 1.00 0.00 C ATOM 272 C ALA A 16 2.652 -44.167 -19.091 1.00 0.00 C ATOM 273 O ALA A 16 3.526 -43.299 -19.039 1.00 0.00 O ATOM 274 CB ALA A 16 2.754 -45.897 -20.949 1.00 0.00 C ATOM 0 H ALA A 16 1.755 -47.261 -19.272 1.00 0.00 H new ATOM 0 HA ALA A 16 4.083 -45.687 -19.211 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.259 -45.145 -21.555 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.131 -46.886 -21.209 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.681 -45.856 -21.139 1.00 0.00 H new ATOM 280 N MET A 17 1.369 -43.895 -18.820 1.00 0.00 N ATOM 281 CA MET A 17 0.888 -42.584 -18.371 1.00 0.00 C ATOM 282 C MET A 17 1.384 -42.219 -16.950 1.00 0.00 C ATOM 283 O MET A 17 1.627 -41.051 -16.642 1.00 0.00 O ATOM 284 CB MET A 17 -0.661 -42.594 -18.485 1.00 0.00 C ATOM 285 CG MET A 17 -1.338 -41.237 -18.183 1.00 0.00 C ATOM 286 SD MET A 17 -3.137 -41.296 -18.400 1.00 0.00 S ATOM 287 CE MET A 17 -3.669 -41.838 -16.756 1.00 0.00 C ATOM 0 H MET A 17 0.627 -44.589 -18.908 1.00 0.00 H new ATOM 0 HA MET A 17 1.300 -41.800 -19.006 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.936 -42.906 -19.493 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.058 -43.343 -17.800 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.108 -40.940 -17.160 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.921 -40.473 -18.839 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.756 -41.921 -16.734 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.227 -42.809 -16.532 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.345 -41.111 -16.011 1.00 0.00 H new ATOM 297 N LEU A 18 1.570 -43.219 -16.080 1.00 0.00 N ATOM 298 CA LEU A 18 2.080 -43.049 -14.725 1.00 0.00 C ATOM 299 C LEU A 18 3.617 -42.905 -14.677 1.00 0.00 C ATOM 300 O LEU A 18 4.155 -42.114 -13.897 1.00 0.00 O ATOM 301 CB LEU A 18 1.566 -44.251 -13.899 1.00 0.00 C ATOM 302 CG LEU A 18 0.021 -44.396 -13.701 1.00 0.00 C ATOM 303 CD1 LEU A 18 -0.585 -43.156 -13.035 1.00 0.00 C ATOM 304 CD2 LEU A 18 -0.874 -44.760 -14.903 1.00 0.00 C ATOM 0 H LEU A 18 1.363 -44.191 -16.310 1.00 0.00 H new ATOM 0 HA LEU A 18 1.715 -42.114 -14.300 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.929 -45.163 -14.373 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.026 -44.200 -12.912 1.00 0.00 H new ATOM 0 HG LEU A 18 0.005 -45.286 -13.071 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.659 -43.296 -12.915 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.127 -43.008 -12.057 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.400 -42.281 -13.659 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.913 -44.817 -14.579 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.776 -43.996 -15.674 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.567 -45.725 -15.307 1.00 0.00 H new ATOM 316 N LYS A 19 4.353 -43.678 -15.483 1.00 0.00 N ATOM 317 CA LYS A 19 5.689 -43.282 -15.949 1.00 0.00 C ATOM 318 C LYS A 19 5.771 -41.846 -16.531 1.00 0.00 C ATOM 319 O LYS A 19 6.725 -41.123 -16.243 1.00 0.00 O ATOM 320 CB LYS A 19 6.075 -44.326 -17.041 1.00 0.00 C ATOM 321 CG LYS A 19 7.293 -44.012 -17.952 1.00 0.00 C ATOM 322 CD LYS A 19 7.601 -45.193 -18.891 1.00 0.00 C ATOM 323 CE LYS A 19 8.840 -45.003 -19.778 1.00 0.00 C ATOM 324 NZ LYS A 19 10.075 -45.127 -19.000 1.00 0.00 N ATOM 0 H LYS A 19 4.045 -44.587 -15.828 1.00 0.00 H new ATOM 0 HA LYS A 19 6.371 -43.267 -15.099 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.267 -45.276 -16.542 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.207 -44.474 -17.683 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.089 -43.118 -18.541 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.166 -43.796 -17.336 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.736 -46.092 -18.289 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.736 -45.365 -19.531 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.835 -45.744 -20.577 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.803 -44.022 -20.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.804 -45.591 -19.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.405 -44.181 -18.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.894 -45.697 -18.149 1.00 0.00 H new ATOM 338 N LYS A 20 4.824 -41.389 -17.362 1.00 0.00 N ATOM 339 CA LYS A 20 4.767 -39.987 -17.793 1.00 0.00 C ATOM 340 C LYS A 20 4.429 -39.008 -16.627 1.00 0.00 C ATOM 341 O LYS A 20 4.762 -37.820 -16.728 1.00 0.00 O ATOM 342 CB LYS A 20 3.758 -39.896 -18.968 1.00 0.00 C ATOM 343 CG LYS A 20 3.826 -38.585 -19.795 1.00 0.00 C ATOM 344 CD LYS A 20 2.449 -37.902 -20.020 1.00 0.00 C ATOM 345 CE LYS A 20 1.718 -37.430 -18.747 1.00 0.00 C ATOM 346 NZ LYS A 20 2.606 -36.556 -17.992 1.00 0.00 N ATOM 0 H LYS A 20 4.084 -41.974 -17.750 1.00 0.00 H new ATOM 0 HA LYS A 20 5.753 -39.667 -18.131 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.928 -40.739 -19.638 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.749 -40.004 -18.569 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.489 -37.883 -19.289 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.274 -38.803 -20.765 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.594 -37.041 -20.673 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.801 -38.600 -20.551 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.803 -36.900 -19.012 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.426 -38.287 -18.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.111 -36.204 -17.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.452 -37.087 -17.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.890 -35.752 -18.587 1.00 0.00 H new ATOM 360 N CYS A 21 3.740 -39.419 -15.541 1.00 0.00 N ATOM 361 CA CYS A 21 3.727 -38.687 -14.257 1.00 0.00 C ATOM 362 C CYS A 21 5.106 -38.575 -13.569 1.00 0.00 C ATOM 363 O CYS A 21 5.422 -37.510 -13.026 1.00 0.00 O ATOM 364 CB CYS A 21 2.753 -39.342 -13.266 1.00 0.00 C ATOM 365 SG CYS A 21 0.990 -39.063 -13.563 1.00 0.00 S ATOM 0 H CYS A 21 3.176 -40.269 -15.530 1.00 0.00 H new ATOM 0 HA CYS A 21 3.410 -37.678 -14.520 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.934 -40.417 -13.270 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.991 -38.982 -12.265 1.00 0.00 H new ATOM 370 N CYS A 22 5.920 -39.652 -13.567 1.00 0.00 N ATOM 371 CA CYS A 22 7.371 -39.567 -13.296 1.00 0.00 C ATOM 372 C CYS A 22 8.007 -38.456 -14.120 1.00 0.00 C ATOM 373 O CYS A 22 8.693 -37.584 -13.592 1.00 0.00 O ATOM 374 CB CYS A 22 8.065 -40.947 -13.470 1.00 0.00 C ATOM 375 SG CYS A 22 9.441 -41.303 -12.336 1.00 0.00 S ATOM 0 H CYS A 22 5.592 -40.600 -13.752 1.00 0.00 H new ATOM 0 HA CYS A 22 7.518 -39.298 -12.250 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.312 -41.726 -13.351 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.437 -41.017 -14.492 1.00 0.00 H new ATOM 380 N TYR A 23 7.742 -38.442 -15.413 1.00 0.00 N ATOM 381 CA TYR A 23 8.383 -37.464 -16.272 1.00 0.00 C ATOM 382 C TYR A 23 7.797 -36.031 -16.171 1.00 0.00 C ATOM 383 O TYR A 23 8.481 -35.078 -16.549 1.00 0.00 O ATOM 384 CB TYR A 23 8.552 -38.121 -17.635 1.00 0.00 C ATOM 385 CG TYR A 23 9.274 -39.502 -17.558 1.00 0.00 C ATOM 386 CD1 TYR A 23 9.919 -40.093 -16.441 1.00 0.00 C ATOM 387 CD2 TYR A 23 9.319 -40.210 -18.744 1.00 0.00 C ATOM 388 CE1 TYR A 23 10.586 -41.295 -16.573 1.00 0.00 C ATOM 389 CE2 TYR A 23 9.979 -41.411 -18.863 1.00 0.00 C ATOM 390 CZ TYR A 23 10.610 -41.950 -17.777 1.00 0.00 C ATOM 391 OH TYR A 23 11.203 -43.169 -17.888 1.00 0.00 O ATOM 0 H TYR A 23 7.102 -39.081 -15.884 1.00 0.00 H new ATOM 0 HA TYR A 23 9.387 -37.206 -15.935 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.572 -38.254 -18.093 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.120 -37.456 -18.286 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.888 -39.599 -15.481 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.817 -39.805 -19.610 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.093 -41.723 -15.721 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.999 -41.927 -19.812 1.00 0.00 H new ATOM 0 HH TYR A 23 11.765 -43.332 -17.102 1.00 0.00 H new ATOM 401 N ASP A 24 6.574 -35.838 -15.630 1.00 0.00 N ATOM 402 CA ASP A 24 6.157 -34.564 -15.006 1.00 0.00 C ATOM 403 C ASP A 24 7.023 -34.170 -13.791 1.00 0.00 C ATOM 404 O ASP A 24 7.402 -33.004 -13.653 1.00 0.00 O ATOM 405 CB ASP A 24 4.669 -34.578 -14.547 1.00 0.00 C ATOM 406 CG ASP A 24 3.669 -34.711 -15.688 1.00 0.00 C ATOM 407 OD1 ASP A 24 3.836 -34.088 -16.736 1.00 0.00 O ATOM 408 OD2 ASP A 24 2.703 -35.456 -15.526 1.00 0.00 O ATOM 0 H ASP A 24 5.851 -36.558 -15.614 1.00 0.00 H new ATOM 0 HA ASP A 24 6.292 -33.826 -15.797 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.522 -35.404 -13.851 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.460 -33.659 -14.000 1.00 0.00 H new ATOM 413 N GLY A 25 7.303 -35.128 -12.892 1.00 0.00 N ATOM 414 CA GLY A 25 8.253 -34.947 -11.784 1.00 0.00 C ATOM 415 C GLY A 25 9.676 -34.585 -12.228 1.00 0.00 C ATOM 416 O GLY A 25 10.277 -33.686 -11.645 1.00 0.00 O ATOM 0 H GLY A 25 6.874 -36.053 -12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.880 -34.163 -11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.290 -35.865 -11.198 1.00 0.00 H new ATOM 420 N ALA A 26 10.205 -35.286 -13.241 1.00 0.00 N ATOM 421 CA ALA A 26 11.496 -34.970 -13.862 1.00 0.00 C ATOM 422 C ALA A 26 11.522 -33.604 -14.582 1.00 0.00 C ATOM 423 O ALA A 26 12.474 -32.841 -14.395 1.00 0.00 O ATOM 424 CB ALA A 26 11.900 -36.106 -14.821 1.00 0.00 C ATOM 0 H ALA A 26 9.743 -36.096 -13.655 1.00 0.00 H new ATOM 0 HA ALA A 26 12.224 -34.887 -13.055 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.859 -35.870 -15.281 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.985 -37.039 -14.264 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.142 -36.214 -15.597 1.00 0.00 H new ATOM 430 N TYR A 27 10.512 -33.255 -15.397 1.00 0.00 N ATOM 431 CA TYR A 27 10.393 -31.914 -15.982 1.00 0.00 C ATOM 432 C TYR A 27 9.855 -30.896 -14.942 1.00 0.00 C ATOM 433 O TYR A 27 8.691 -30.471 -14.930 1.00 0.00 O ATOM 434 CB TYR A 27 9.540 -32.037 -17.282 1.00 0.00 C ATOM 435 CG TYR A 27 9.363 -30.726 -18.072 1.00 0.00 C ATOM 436 CD1 TYR A 27 10.424 -29.890 -18.396 1.00 0.00 C ATOM 437 CD2 TYR A 27 8.106 -30.344 -18.511 1.00 0.00 C ATOM 438 CE1 TYR A 27 10.236 -28.727 -19.117 1.00 0.00 C ATOM 439 CE2 TYR A 27 7.910 -29.185 -19.236 1.00 0.00 C ATOM 440 CZ TYR A 27 8.976 -28.377 -19.535 1.00 0.00 C ATOM 441 OH TYR A 27 8.767 -27.234 -20.236 1.00 0.00 O ATOM 0 H TYR A 27 9.762 -33.891 -15.666 1.00 0.00 H new ATOM 0 HA TYR A 27 11.366 -31.511 -16.264 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.004 -32.777 -17.934 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.554 -32.420 -17.017 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.421 -30.156 -18.076 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.256 -30.969 -18.280 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.079 -28.094 -19.352 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.918 -28.916 -19.567 1.00 0.00 H new ATOM 0 HH TYR A 27 7.814 -27.150 -20.448 1.00 0.00 H new ATOM 451 N ARG A 28 10.761 -30.548 -14.017 1.00 0.00 N ATOM 452 CA ARG A 28 10.484 -29.630 -12.912 1.00 0.00 C ATOM 453 C ARG A 28 10.396 -28.145 -13.327 1.00 0.00 C ATOM 454 O ARG A 28 11.337 -27.580 -13.890 1.00 0.00 O ATOM 455 CB ARG A 28 11.572 -29.839 -11.842 1.00 0.00 C ATOM 456 CG ARG A 28 11.064 -29.463 -10.441 1.00 0.00 C ATOM 457 CD ARG A 28 12.112 -29.747 -9.370 1.00 0.00 C ATOM 458 NE ARG A 28 11.386 -29.902 -8.115 1.00 0.00 N ATOM 459 CZ ARG A 28 11.282 -29.016 -7.174 1.00 0.00 C ATOM 460 NH1 ARG A 28 11.880 -27.893 -7.138 1.00 0.00 N ATOM 461 NH2 ARG A 28 10.564 -29.292 -6.166 1.00 0.00 N ATOM 0 H ARG A 28 11.717 -30.903 -14.019 1.00 0.00 H new ATOM 0 HA ARG A 28 9.493 -29.864 -12.523 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.893 -30.881 -11.846 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.446 -29.235 -12.087 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.799 -28.406 -10.421 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.156 -30.023 -10.220 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.675 -30.650 -9.607 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.831 -28.931 -9.304 1.00 0.00 H new ATOM 0 HE ARG A 28 10.914 -30.794 -7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.507 -27.625 -7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.732 -27.262 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.087 -30.192 -6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.464 -28.614 -5.410 1.00 0.00 H new ATOM 475 N ASN A 29 9.254 -27.503 -13.029 1.00 0.00 N ATOM 476 CA ASN A 29 8.987 -26.122 -13.452 1.00 0.00 C ATOM 477 C ASN A 29 8.103 -25.287 -12.497 1.00 0.00 C ATOM 478 O ASN A 29 8.623 -24.407 -11.813 1.00 0.00 O ATOM 479 CB ASN A 29 8.446 -26.110 -14.924 1.00 0.00 C ATOM 480 CG ASN A 29 7.405 -27.205 -15.179 1.00 0.00 C ATOM 481 OD1 ASN A 29 6.328 -27.233 -14.595 1.00 0.00 O ATOM 482 ND2 ASN A 29 7.707 -28.161 -16.034 1.00 0.00 N ATOM 0 H ASN A 29 8.496 -27.925 -12.492 1.00 0.00 H new ATOM 0 HA ASN A 29 9.948 -25.609 -13.409 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.003 -25.137 -15.136 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.280 -26.239 -15.614 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.046 -28.918 -16.206 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.602 -28.144 -16.523 1.00 0.00 H new ATOM 489 N ASP A 30 6.788 -25.538 -12.422 1.00 0.00 N ATOM 490 CA ASP A 30 5.791 -24.658 -11.791 1.00 0.00 C ATOM 491 C ASP A 30 5.840 -24.451 -10.253 1.00 0.00 C ATOM 492 O ASP A 30 4.986 -23.726 -9.729 1.00 0.00 O ATOM 493 CB ASP A 30 4.380 -25.125 -12.272 1.00 0.00 C ATOM 494 CG ASP A 30 3.978 -26.499 -11.738 1.00 0.00 C ATOM 495 OD1 ASP A 30 4.665 -27.483 -12.023 1.00 0.00 O ATOM 496 OD2 ASP A 30 2.981 -26.562 -11.021 1.00 0.00 O ATOM 0 H ASP A 30 6.375 -26.386 -12.811 1.00 0.00 H new ATOM 0 HA ASP A 30 6.047 -23.653 -12.125 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.637 -24.391 -11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.366 -25.149 -13.362 1.00 0.00 H new ATOM 501 N ASP A 31 6.774 -25.052 -9.496 1.00 0.00 N ATOM 502 CA ASP A 31 6.947 -24.792 -8.062 1.00 0.00 C ATOM 503 C ASP A 31 8.330 -25.237 -7.535 1.00 0.00 C ATOM 504 O ASP A 31 8.969 -26.145 -8.069 1.00 0.00 O ATOM 505 CB ASP A 31 5.843 -25.518 -7.230 1.00 0.00 C ATOM 506 CG ASP A 31 5.601 -24.798 -5.907 1.00 0.00 C ATOM 507 OD1 ASP A 31 4.862 -23.816 -5.910 1.00 0.00 O ATOM 508 OD2 ASP A 31 6.197 -25.192 -4.906 1.00 0.00 O ATOM 0 H ASP A 31 7.433 -25.736 -9.867 1.00 0.00 H new ATOM 0 HA ASP A 31 6.866 -23.712 -7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.916 -25.557 -7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.144 -26.548 -7.039 1.00 0.00 H new ATOM 513 N GLU A 32 8.780 -24.562 -6.468 1.00 0.00 N ATOM 514 CA GLU A 32 9.933 -24.976 -5.669 1.00 0.00 C ATOM 515 C GLU A 32 9.700 -26.263 -4.842 1.00 0.00 C ATOM 516 O GLU A 32 10.638 -27.057 -4.733 1.00 0.00 O ATOM 517 CB GLU A 32 10.386 -23.770 -4.794 1.00 0.00 C ATOM 518 CG GLU A 32 11.641 -23.992 -3.874 1.00 0.00 C ATOM 519 CD GLU A 32 12.903 -24.469 -4.607 1.00 0.00 C ATOM 520 OE1 GLU A 32 13.382 -23.808 -5.528 1.00 0.00 O ATOM 521 OE2 GLU A 32 13.422 -25.529 -4.263 1.00 0.00 O ATOM 0 H GLU A 32 8.345 -23.702 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 32 10.736 -25.256 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.595 -22.930 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.549 -23.476 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.868 -23.057 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.386 -24.723 -3.106 1.00 0.00 H new ATOM 528 N THR A 33 8.521 -26.565 -4.270 1.00 0.00 N ATOM 529 CA THR A 33 8.346 -27.768 -3.435 1.00 0.00 C ATOM 530 C THR A 33 7.399 -28.827 -4.047 1.00 0.00 C ATOM 531 O THR A 33 6.321 -28.529 -4.573 1.00 0.00 O ATOM 532 CB THR A 33 8.003 -27.404 -1.970 1.00 0.00 C ATOM 533 OG1 THR A 33 7.969 -28.588 -1.193 1.00 0.00 O ATOM 534 CG2 THR A 33 6.676 -26.685 -1.750 1.00 0.00 C ATOM 0 H THR A 33 7.680 -25.997 -4.369 1.00 0.00 H new ATOM 0 HA THR A 33 9.316 -28.265 -3.414 1.00 0.00 H new ATOM 0 HB THR A 33 8.786 -26.706 -1.675 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.049 -28.765 -0.906 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.544 -26.482 -0.687 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.676 -25.745 -2.302 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.859 -27.314 -2.103 1.00 0.00 H new ATOM 542 N CYS A 34 7.827 -30.096 -3.933 1.00 0.00 N ATOM 543 CA CYS A 34 7.272 -31.240 -4.672 1.00 0.00 C ATOM 544 C CYS A 34 5.800 -31.579 -4.370 1.00 0.00 C ATOM 545 O CYS A 34 5.014 -31.785 -5.297 1.00 0.00 O ATOM 546 CB CYS A 34 8.130 -32.515 -4.428 1.00 0.00 C ATOM 547 SG CYS A 34 9.808 -32.500 -5.113 1.00 0.00 S ATOM 0 H CYS A 34 8.588 -30.360 -3.308 1.00 0.00 H new ATOM 0 HA CYS A 34 7.305 -30.921 -5.714 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.201 -32.678 -3.353 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.598 -33.370 -4.846 1.00 0.00 H new ATOM 552 N GLU A 35 5.418 -31.653 -3.089 1.00 0.00 N ATOM 553 CA GLU A 35 4.070 -32.061 -2.684 1.00 0.00 C ATOM 554 C GLU A 35 2.995 -30.984 -2.925 1.00 0.00 C ATOM 555 O GLU A 35 1.840 -31.358 -3.105 1.00 0.00 O ATOM 556 CB GLU A 35 4.047 -32.568 -1.205 1.00 0.00 C ATOM 557 CG GLU A 35 4.124 -31.502 -0.052 1.00 0.00 C ATOM 558 CD GLU A 35 5.441 -30.728 0.000 1.00 0.00 C ATOM 559 OE1 GLU A 35 5.605 -29.773 -0.767 1.00 0.00 O ATOM 560 OE2 GLU A 35 6.303 -31.094 0.789 1.00 0.00 O ATOM 0 H GLU A 35 6.034 -31.432 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 35 3.806 -32.893 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.132 -33.144 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.881 -33.258 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.304 -30.794 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.973 -32.005 0.903 1.00 0.00 H new ATOM 567 N GLU A 36 3.298 -29.673 -2.916 1.00 0.00 N ATOM 568 CA GLU A 36 2.344 -28.639 -3.349 1.00 0.00 C ATOM 569 C GLU A 36 2.115 -28.720 -4.875 1.00 0.00 C ATOM 570 O GLU A 36 0.972 -28.709 -5.348 1.00 0.00 O ATOM 571 CB GLU A 36 2.839 -27.224 -2.921 1.00 0.00 C ATOM 572 CG GLU A 36 1.709 -26.218 -2.494 1.00 0.00 C ATOM 573 CD GLU A 36 0.650 -25.901 -3.558 1.00 0.00 C ATOM 574 OE1 GLU A 36 0.961 -25.208 -4.530 1.00 0.00 O ATOM 575 OE2 GLU A 36 -0.487 -26.328 -3.386 1.00 0.00 O ATOM 0 H GLU A 36 4.200 -29.305 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 36 1.387 -28.818 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.535 -27.337 -2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.398 -26.787 -3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.204 -26.622 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.179 -25.283 -2.189 1.00 0.00 H new ATOM 582 N ARG A 37 3.225 -28.854 -5.621 1.00 0.00 N ATOM 583 CA ARG A 37 3.216 -29.134 -7.057 1.00 0.00 C ATOM 584 C ARG A 37 2.371 -30.385 -7.378 1.00 0.00 C ATOM 585 O ARG A 37 1.436 -30.322 -8.177 1.00 0.00 O ATOM 586 CB ARG A 37 4.691 -29.319 -7.513 1.00 0.00 C ATOM 587 CG ARG A 37 4.869 -29.288 -9.040 1.00 0.00 C ATOM 588 CD ARG A 37 6.317 -29.491 -9.504 1.00 0.00 C ATOM 589 NE ARG A 37 6.277 -29.325 -10.959 1.00 0.00 N ATOM 590 CZ ARG A 37 6.837 -30.080 -11.858 1.00 0.00 C ATOM 591 NH1 ARG A 37 7.462 -31.171 -11.625 1.00 0.00 N ATOM 592 NH2 ARG A 37 6.738 -29.723 -13.077 1.00 0.00 N ATOM 0 H ARG A 37 4.164 -28.769 -5.233 1.00 0.00 H new ATOM 0 HA ARG A 37 2.758 -28.305 -7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.302 -28.534 -7.068 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.065 -30.269 -7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.244 -30.063 -9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.508 -28.332 -9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.985 -28.764 -9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.684 -30.480 -9.230 1.00 0.00 H new ATOM 0 HE ARG A 37 5.749 -28.525 -11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.552 -31.513 -10.668 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.871 -31.699 -12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.233 -28.871 -13.319 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.164 -30.289 -13.811 1.00 0.00 H new ATOM 606 N ALA A 38 2.643 -31.528 -6.737 1.00 0.00 N ATOM 607 CA ALA A 38 1.836 -32.731 -6.916 1.00 0.00 C ATOM 608 C ALA A 38 0.575 -32.872 -6.024 1.00 0.00 C ATOM 609 O ALA A 38 -0.065 -33.923 -6.017 1.00 0.00 O ATOM 610 CB ALA A 38 2.788 -33.914 -6.932 1.00 0.00 C ATOM 0 H ALA A 38 3.421 -31.640 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 38 1.324 -32.667 -7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.221 -34.835 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.495 -33.801 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.333 -33.955 -5.989 1.00 0.00 H new ATOM 616 N ALA A 39 0.197 -31.863 -5.226 1.00 0.00 N ATOM 617 CA ALA A 39 -1.206 -31.605 -4.884 1.00 0.00 C ATOM 618 C ALA A 39 -2.003 -31.003 -6.059 1.00 0.00 C ATOM 619 O ALA A 39 -3.209 -31.231 -6.153 1.00 0.00 O ATOM 620 CB ALA A 39 -1.291 -30.682 -3.652 1.00 0.00 C ATOM 0 H ALA A 39 0.853 -31.207 -4.802 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.661 -32.568 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.337 -30.497 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.799 -31.160 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.797 -29.735 -3.872 1.00 0.00 H new ATOM 626 N ARG A 40 -1.370 -30.199 -6.932 1.00 0.00 N ATOM 627 CA ARG A 40 -1.972 -29.799 -8.218 1.00 0.00 C ATOM 628 C ARG A 40 -2.105 -30.996 -9.194 1.00 0.00 C ATOM 629 O ARG A 40 -3.107 -31.126 -9.899 1.00 0.00 O ATOM 630 CB ARG A 40 -1.139 -28.675 -8.898 1.00 0.00 C ATOM 631 CG ARG A 40 -0.812 -27.465 -7.995 1.00 0.00 C ATOM 632 CD ARG A 40 0.198 -26.529 -8.667 1.00 0.00 C ATOM 633 NE ARG A 40 0.837 -25.752 -7.609 1.00 0.00 N ATOM 634 CZ ARG A 40 1.902 -25.014 -7.732 1.00 0.00 C ATOM 635 NH1 ARG A 40 2.601 -24.895 -8.801 1.00 0.00 N ATOM 636 NH2 ARG A 40 2.290 -24.426 -6.674 1.00 0.00 N ATOM 0 H ARG A 40 -0.440 -29.813 -6.770 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.971 -29.426 -7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.204 -29.104 -9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.683 -28.319 -9.773 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.727 -26.917 -7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.410 -27.815 -7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.939 -27.100 -9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.301 -25.872 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 40 0.408 -25.791 -6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.334 -25.403 -9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.424 -24.292 -8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.773 -24.549 -5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.118 -23.831 -6.696 1.00 0.00 H new ATOM 650 N ILE A 41 -1.079 -31.858 -9.286 1.00 0.00 N ATOM 651 CA ILE A 41 -1.126 -33.139 -10.005 1.00 0.00 C ATOM 652 C ILE A 41 -1.881 -34.252 -9.237 1.00 0.00 C ATOM 653 O ILE A 41 -1.384 -35.145 -8.550 1.00 0.00 O ATOM 654 CB ILE A 41 0.254 -33.566 -10.585 1.00 0.00 C ATOM 655 CG1 ILE A 41 0.816 -32.484 -11.532 1.00 0.00 C ATOM 656 CG2 ILE A 41 0.179 -34.844 -11.364 1.00 0.00 C ATOM 657 CD1 ILE A 41 1.921 -31.782 -10.788 1.00 0.00 C ATOM 0 H ILE A 41 -0.174 -31.678 -8.852 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.745 -32.965 -10.885 1.00 0.00 H new ATOM 0 HB ILE A 41 0.904 -33.705 -9.721 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.194 -32.933 -12.450 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.036 -31.779 -11.819 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.168 -35.096 -11.746 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.174 -35.645 -10.715 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.512 -34.722 -12.198 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.350 -31.005 -11.421 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.519 -31.330 -9.881 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.695 -32.502 -10.522 1.00 0.00 H new ATOM 669 N LYS A 42 -3.171 -34.122 -9.511 1.00 0.00 N ATOM 670 CA LYS A 42 -4.276 -34.871 -8.898 1.00 0.00 C ATOM 671 C LYS A 42 -4.600 -36.252 -9.510 1.00 0.00 C ATOM 672 O LYS A 42 -5.508 -36.923 -9.017 1.00 0.00 O ATOM 673 CB LYS A 42 -5.557 -33.989 -8.949 1.00 0.00 C ATOM 674 CG LYS A 42 -5.523 -32.791 -7.977 1.00 0.00 C ATOM 675 CD LYS A 42 -6.759 -31.868 -8.068 1.00 0.00 C ATOM 676 CE LYS A 42 -8.043 -32.495 -7.519 1.00 0.00 C ATOM 677 NZ LYS A 42 -9.093 -31.492 -7.615 1.00 0.00 N ATOM 0 H LYS A 42 -3.501 -33.454 -10.207 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.940 -35.090 -7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.692 -33.618 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.424 -34.609 -8.718 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.438 -33.167 -6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.628 -32.202 -8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.554 -30.947 -7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.918 -31.592 -9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.309 -33.385 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.905 -32.808 -6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.983 -31.885 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.828 -30.657 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.219 -31.216 -8.610 1.00 0.00 H new ATOM 691 N ILE A 43 -3.874 -36.711 -10.540 1.00 0.00 N ATOM 692 CA ILE A 43 -4.289 -37.823 -11.415 1.00 0.00 C ATOM 693 C ILE A 43 -4.433 -39.190 -10.701 1.00 0.00 C ATOM 694 O ILE A 43 -5.403 -39.904 -10.972 1.00 0.00 O ATOM 695 CB ILE A 43 -3.352 -37.866 -12.676 1.00 0.00 C ATOM 696 CG1 ILE A 43 -3.459 -36.534 -13.483 1.00 0.00 C ATOM 697 CG2 ILE A 43 -3.658 -39.066 -13.615 1.00 0.00 C ATOM 698 CD1 ILE A 43 -2.332 -36.314 -14.518 1.00 0.00 C ATOM 0 H ILE A 43 -2.969 -36.316 -10.794 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.309 -37.621 -11.742 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.337 -37.994 -12.300 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.418 -36.515 -14.001 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.458 -35.699 -12.782 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.980 -39.043 -14.468 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.522 -39.999 -13.069 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.687 -38.999 -13.968 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.489 -35.365 -15.030 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.368 -36.297 -14.009 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.343 -37.125 -15.246 1.00 0.00 H new ATOM 710 N GLY A 44 -3.532 -39.587 -9.787 1.00 0.00 N ATOM 711 CA GLY A 44 -3.713 -40.824 -9.009 1.00 0.00 C ATOM 712 C GLY A 44 -2.579 -41.197 -8.027 1.00 0.00 C ATOM 713 O GLY A 44 -1.508 -40.587 -8.108 1.00 0.00 O ATOM 0 H GLY A 44 -2.678 -39.074 -9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.640 -40.737 -8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.843 -41.650 -9.708 1.00 0.00 H new ATOM 717 N PRO A 45 -2.752 -42.183 -7.102 1.00 0.00 N ATOM 718 CA PRO A 45 -1.712 -42.672 -6.166 1.00 0.00 C ATOM 719 C PRO A 45 -0.368 -43.079 -6.806 1.00 0.00 C ATOM 720 O PRO A 45 0.687 -42.595 -6.389 1.00 0.00 O ATOM 721 CB PRO A 45 -2.384 -43.874 -5.477 1.00 0.00 C ATOM 722 CG PRO A 45 -3.832 -43.446 -5.436 1.00 0.00 C ATOM 723 CD PRO A 45 -4.035 -42.843 -6.823 1.00 0.00 C ATOM 0 HA PRO A 45 -1.412 -41.869 -5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.247 -44.796 -6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.982 -44.049 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.500 -44.289 -5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.018 -42.719 -4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.262 -43.609 -7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.862 -42.133 -6.835 1.00 0.00 H new ATOM 731 N LYS A 46 -0.416 -43.954 -7.824 1.00 0.00 N ATOM 732 CA LYS A 46 0.730 -44.314 -8.668 1.00 0.00 C ATOM 733 C LYS A 46 1.420 -43.103 -9.326 1.00 0.00 C ATOM 734 O LYS A 46 2.648 -43.086 -9.448 1.00 0.00 O ATOM 735 CB LYS A 46 0.242 -45.305 -9.764 1.00 0.00 C ATOM 736 CG LYS A 46 0.336 -46.808 -9.394 1.00 0.00 C ATOM 737 CD LYS A 46 1.722 -47.454 -9.673 1.00 0.00 C ATOM 738 CE LYS A 46 2.019 -47.624 -11.172 1.00 0.00 C ATOM 739 NZ LYS A 46 3.306 -48.293 -11.314 1.00 0.00 N ATOM 0 H LYS A 46 -1.273 -44.440 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 46 1.480 -44.771 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.795 -45.072 -10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.825 -45.134 -10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.101 -46.924 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.425 -47.355 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.500 -46.838 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.766 -48.429 -9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.233 -48.209 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.040 -46.653 -11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.683 -48.121 -12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.971 -47.921 -10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.184 -49.316 -11.169 1.00 0.00 H new ATOM 753 N CYS A 47 0.620 -42.094 -9.707 1.00 0.00 N ATOM 754 CA CYS A 47 1.106 -40.847 -10.288 1.00 0.00 C ATOM 755 C CYS A 47 1.901 -40.038 -9.255 1.00 0.00 C ATOM 756 O CYS A 47 3.079 -39.809 -9.524 1.00 0.00 O ATOM 757 CB CYS A 47 -0.076 -40.043 -10.887 1.00 0.00 C ATOM 758 SG CYS A 47 0.364 -38.500 -11.728 1.00 0.00 S ATOM 0 H CYS A 47 -0.395 -42.129 -9.616 1.00 0.00 H new ATOM 0 HA CYS A 47 1.793 -41.075 -11.103 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.604 -40.682 -11.595 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.776 -39.810 -10.084 1.00 0.00 H new ATOM 763 N VAL A 48 1.325 -39.623 -8.104 1.00 0.00 N ATOM 764 CA VAL A 48 2.084 -39.012 -6.999 1.00 0.00 C ATOM 765 C VAL A 48 3.356 -39.769 -6.569 1.00 0.00 C ATOM 766 O VAL A 48 4.380 -39.129 -6.337 1.00 0.00 O ATOM 767 CB VAL A 48 1.239 -38.721 -5.707 1.00 0.00 C ATOM 768 CG1 VAL A 48 1.357 -37.250 -5.364 1.00 0.00 C ATOM 769 CG2 VAL A 48 -0.253 -39.022 -5.769 1.00 0.00 C ATOM 0 H VAL A 48 0.325 -39.703 -7.919 1.00 0.00 H new ATOM 0 HA VAL A 48 2.382 -38.070 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 48 1.661 -39.403 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.774 -37.037 -4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.403 -37.001 -5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.980 -36.652 -6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.714 -38.776 -4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.712 -38.425 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.402 -40.081 -5.982 1.00 0.00 H new ATOM 779 N LYS A 49 3.313 -41.105 -6.450 1.00 0.00 N ATOM 780 CA LYS A 49 4.500 -41.932 -6.162 1.00 0.00 C ATOM 781 C LYS A 49 5.640 -41.842 -7.211 1.00 0.00 C ATOM 782 O LYS A 49 6.772 -41.468 -6.855 1.00 0.00 O ATOM 783 CB LYS A 49 4.024 -43.389 -5.958 1.00 0.00 C ATOM 784 CG LYS A 49 3.384 -43.630 -4.574 1.00 0.00 C ATOM 785 CD LYS A 49 2.586 -44.951 -4.456 1.00 0.00 C ATOM 786 CE LYS A 49 3.381 -46.262 -4.578 1.00 0.00 C ATOM 787 NZ LYS A 49 3.293 -46.787 -5.938 1.00 0.00 N ATOM 0 H LYS A 49 2.454 -41.645 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 49 4.962 -41.536 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.301 -43.641 -6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.872 -44.062 -6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.170 -43.627 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.719 -42.797 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.075 -44.953 -3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.814 -44.950 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.424 -46.088 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.993 -46.997 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.608 -47.778 -5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.308 -46.734 -6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.900 -46.224 -6.567 1.00 0.00 H new ATOM 801 N ALA A 50 5.341 -42.148 -8.492 1.00 0.00 N ATOM 802 CA ALA A 50 6.266 -41.957 -9.623 1.00 0.00 C ATOM 803 C ALA A 50 6.773 -40.495 -9.672 1.00 0.00 C ATOM 804 O ALA A 50 7.985 -40.262 -9.713 1.00 0.00 O ATOM 805 CB ALA A 50 5.521 -42.380 -10.922 1.00 0.00 C ATOM 0 H ALA A 50 4.441 -42.538 -8.770 1.00 0.00 H new ATOM 0 HA ALA A 50 7.155 -42.577 -9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.182 -42.250 -11.779 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.225 -43.427 -10.848 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.633 -41.761 -11.050 1.00 0.00 H new ATOM 811 N PHE A 51 5.844 -39.525 -9.542 1.00 0.00 N ATOM 812 CA PHE A 51 6.140 -38.092 -9.447 1.00 0.00 C ATOM 813 C PHE A 51 7.128 -37.779 -8.312 1.00 0.00 C ATOM 814 O PHE A 51 8.145 -37.150 -8.585 1.00 0.00 O ATOM 815 CB PHE A 51 4.806 -37.328 -9.180 1.00 0.00 C ATOM 816 CG PHE A 51 4.847 -35.839 -9.535 1.00 0.00 C ATOM 817 CD1 PHE A 51 5.645 -34.926 -8.861 1.00 0.00 C ATOM 818 CD2 PHE A 51 4.164 -35.380 -10.641 1.00 0.00 C ATOM 819 CE1 PHE A 51 5.791 -33.627 -9.295 1.00 0.00 C ATOM 820 CE2 PHE A 51 4.304 -34.095 -11.080 1.00 0.00 C ATOM 821 CZ PHE A 51 5.125 -33.211 -10.421 1.00 0.00 C ATOM 0 H PHE A 51 4.845 -39.728 -9.500 1.00 0.00 H new ATOM 0 HA PHE A 51 6.599 -37.777 -10.384 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.009 -37.803 -9.752 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.548 -37.431 -8.126 1.00 0.00 H new ATOM 0 HD1 PHE A 51 6.167 -35.243 -7.970 1.00 0.00 H new ATOM 0 HD2 PHE A 51 3.504 -36.051 -11.171 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.425 -32.941 -8.753 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.763 -33.769 -11.956 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.245 -32.201 -10.785 1.00 0.00 H new ATOM 831 N LYS A 52 6.859 -38.195 -7.063 1.00 0.00 N ATOM 832 CA LYS A 52 7.702 -37.887 -5.907 1.00 0.00 C ATOM 833 C LYS A 52 9.136 -38.447 -6.002 1.00 0.00 C ATOM 834 O LYS A 52 10.078 -37.732 -5.622 1.00 0.00 O ATOM 835 CB LYS A 52 6.986 -38.369 -4.611 1.00 0.00 C ATOM 836 CG LYS A 52 7.681 -37.982 -3.282 1.00 0.00 C ATOM 837 CD LYS A 52 7.693 -36.457 -2.990 1.00 0.00 C ATOM 838 CE LYS A 52 9.049 -35.986 -2.464 1.00 0.00 C ATOM 839 NZ LYS A 52 9.992 -35.891 -3.579 1.00 0.00 N ATOM 0 H LYS A 52 6.042 -38.759 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 52 7.832 -36.805 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.974 -37.963 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.894 -39.454 -4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.180 -38.494 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.709 -38.344 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.448 -35.911 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.919 -36.221 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.946 -35.017 -1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.423 -36.683 -1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.949 -36.126 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.713 -36.557 -4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.986 -34.922 -3.957 1.00 0.00 H new ATOM 853 N ASP A 53 9.336 -39.686 -6.494 1.00 0.00 N ATOM 854 CA ASP A 53 10.702 -40.198 -6.690 1.00 0.00 C ATOM 855 C ASP A 53 11.464 -39.544 -7.867 1.00 0.00 C ATOM 856 O ASP A 53 12.658 -39.216 -7.747 1.00 0.00 O ATOM 857 CB ASP A 53 10.687 -41.738 -6.749 1.00 0.00 C ATOM 858 CG ASP A 53 10.308 -42.311 -5.386 1.00 0.00 C ATOM 859 OD1 ASP A 53 11.183 -42.446 -4.530 1.00 0.00 O ATOM 860 OD2 ASP A 53 9.142 -42.649 -5.194 1.00 0.00 O ATOM 0 H ASP A 53 8.592 -40.332 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 53 11.285 -39.899 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.976 -42.074 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.668 -42.108 -7.048 1.00 0.00 H new ATOM 865 N CYS A 54 10.787 -39.320 -9.003 1.00 0.00 N ATOM 866 CA CYS A 54 11.330 -38.454 -10.050 1.00 0.00 C ATOM 867 C CYS A 54 11.554 -36.984 -9.616 1.00 0.00 C ATOM 868 O CYS A 54 12.524 -36.378 -10.069 1.00 0.00 O ATOM 869 CB CYS A 54 10.471 -38.549 -11.316 1.00 0.00 C ATOM 870 SG CYS A 54 10.879 -39.887 -12.476 1.00 0.00 S ATOM 0 H CYS A 54 9.874 -39.723 -9.215 1.00 0.00 H new ATOM 0 HA CYS A 54 12.330 -38.829 -10.266 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.430 -38.665 -11.014 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.544 -37.601 -11.849 1.00 0.00 H new ATOM 875 N CYS A 55 10.716 -36.384 -8.753 1.00 0.00 N ATOM 876 CA CYS A 55 10.957 -35.064 -8.148 1.00 0.00 C ATOM 877 C CYS A 55 12.208 -35.050 -7.239 1.00 0.00 C ATOM 878 O CYS A 55 12.923 -34.041 -7.188 1.00 0.00 O ATOM 879 CB CYS A 55 9.685 -34.605 -7.387 1.00 0.00 C ATOM 880 SG CYS A 55 9.565 -32.819 -7.094 1.00 0.00 S ATOM 0 H CYS A 55 9.839 -36.810 -8.452 1.00 0.00 H new ATOM 0 HA CYS A 55 11.166 -34.354 -8.948 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.808 -34.925 -7.951 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.651 -35.118 -6.426 1.00 0.00 H new ATOM 885 N TYR A 56 12.492 -36.160 -6.528 1.00 0.00 N ATOM 886 CA TYR A 56 13.809 -36.374 -5.917 1.00 0.00 C ATOM 887 C TYR A 56 14.962 -36.375 -6.939 1.00 0.00 C ATOM 888 O TYR A 56 15.910 -35.616 -6.702 1.00 0.00 O ATOM 889 CB TYR A 56 13.877 -37.673 -5.066 1.00 0.00 C ATOM 890 CG TYR A 56 13.245 -37.559 -3.668 1.00 0.00 C ATOM 891 CD1 TYR A 56 13.582 -36.545 -2.782 1.00 0.00 C ATOM 892 CD2 TYR A 56 12.376 -38.532 -3.202 1.00 0.00 C ATOM 893 CE1 TYR A 56 13.081 -36.506 -1.496 1.00 0.00 C ATOM 894 CE2 TYR A 56 11.871 -38.502 -1.918 1.00 0.00 C ATOM 895 CZ TYR A 56 12.224 -37.489 -1.066 1.00 0.00 C ATOM 896 OH TYR A 56 11.716 -37.470 0.192 1.00 0.00 O ATOM 0 H TYR A 56 11.827 -36.916 -6.366 1.00 0.00 H new ATOM 0 HA TYR A 56 13.940 -35.517 -5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 56 13.379 -38.475 -5.611 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.921 -37.964 -4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.255 -35.765 -3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.086 -39.336 -3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.363 -35.704 -0.830 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.197 -39.277 -1.585 1.00 0.00 H new ATOM 0 HH TYR A 56 11.128 -38.243 0.319 1.00 0.00 H new ATOM 906 N ILE A 57 14.962 -37.152 -8.048 1.00 0.00 N ATOM 907 CA ILE A 57 16.071 -37.021 -9.019 1.00 0.00 C ATOM 908 C ILE A 57 16.098 -35.691 -9.807 1.00 0.00 C ATOM 909 O ILE A 57 17.178 -35.260 -10.220 1.00 0.00 O ATOM 910 CB ILE A 57 16.413 -38.275 -9.890 1.00 0.00 C ATOM 911 CG1 ILE A 57 15.301 -38.915 -10.746 1.00 0.00 C ATOM 912 CG2 ILE A 57 17.051 -39.371 -9.005 1.00 0.00 C ATOM 913 CD1 ILE A 57 14.715 -38.036 -11.853 1.00 0.00 C ATOM 0 H ILE A 57 14.248 -37.840 -8.285 1.00 0.00 H new ATOM 0 HA ILE A 57 16.922 -36.972 -8.339 1.00 0.00 H new ATOM 0 HB ILE A 57 17.094 -37.858 -10.632 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.698 -39.822 -11.202 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.490 -39.219 -10.084 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.287 -40.241 -9.617 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.965 -38.987 -8.553 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.351 -39.658 -8.220 1.00 0.00 H new ATOM 0 HD11 ILE A 57 13.943 -38.590 -12.388 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.279 -37.139 -11.413 1.00 0.00 H new ATOM 0 HD13 ILE A 57 15.505 -37.752 -12.548 1.00 0.00 H new ATOM 925 N ALA A 58 14.944 -35.030 -10.012 1.00 0.00 N ATOM 926 CA ALA A 58 14.869 -33.659 -10.525 1.00 0.00 C ATOM 927 C ALA A 58 15.607 -32.652 -9.624 1.00 0.00 C ATOM 928 O ALA A 58 16.382 -31.840 -10.132 1.00 0.00 O ATOM 929 CB ALA A 58 13.407 -33.252 -10.658 1.00 0.00 C ATOM 0 H ALA A 58 14.030 -35.442 -9.823 1.00 0.00 H new ATOM 0 HA ALA A 58 15.361 -33.643 -11.497 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.346 -32.233 -11.039 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.902 -33.928 -11.348 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.925 -33.303 -9.682 1.00 0.00 H new ATOM 935 N ASN A 59 15.381 -32.695 -8.299 1.00 0.00 N ATOM 936 CA ASN A 59 16.172 -31.915 -7.341 1.00 0.00 C ATOM 937 C ASN A 59 17.661 -32.300 -7.291 1.00 0.00 C ATOM 938 O ASN A 59 18.493 -31.407 -7.114 1.00 0.00 O ATOM 939 CB ASN A 59 15.537 -31.951 -5.934 1.00 0.00 C ATOM 940 CG ASN A 59 14.323 -31.029 -5.903 1.00 0.00 C ATOM 941 OD1 ASN A 59 14.449 -29.820 -5.734 1.00 0.00 O ATOM 942 ND2 ASN A 59 13.123 -31.543 -6.080 1.00 0.00 N ATOM 0 H ASN A 59 14.653 -33.266 -7.870 1.00 0.00 H new ATOM 0 HA ASN A 59 16.150 -30.890 -7.711 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.241 -32.969 -5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.265 -31.637 -5.186 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.303 -30.937 -6.076 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.014 -32.547 -6.221 1.00 0.00 H new ATOM 949 N GLN A 60 18.019 -33.585 -7.449 1.00 0.00 N ATOM 950 CA GLN A 60 19.417 -33.984 -7.636 1.00 0.00 C ATOM 951 C GLN A 60 20.054 -33.401 -8.909 1.00 0.00 C ATOM 952 O GLN A 60 21.109 -32.781 -8.779 1.00 0.00 O ATOM 953 CB GLN A 60 19.605 -35.512 -7.607 1.00 0.00 C ATOM 954 CG GLN A 60 19.362 -36.124 -6.206 1.00 0.00 C ATOM 955 CD GLN A 60 19.862 -37.566 -6.156 1.00 0.00 C ATOM 956 OE1 GLN A 60 19.093 -38.510 -6.025 1.00 0.00 O ATOM 957 NE2 GLN A 60 21.158 -37.801 -6.254 1.00 0.00 N ATOM 0 H GLN A 60 17.358 -34.362 -7.450 1.00 0.00 H new ATOM 0 HA GLN A 60 19.941 -33.556 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.921 -35.970 -8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.616 -35.755 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.874 -35.529 -5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.298 -36.094 -5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.810 -37.024 -6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.507 -38.759 -6.220 1.00 0.00 H new ATOM 966 N VAL A 61 19.481 -33.542 -10.119 1.00 0.00 N ATOM 967 CA VAL A 61 20.054 -32.920 -11.329 1.00 0.00 C ATOM 968 C VAL A 61 19.972 -31.377 -11.346 1.00 0.00 C ATOM 969 O VAL A 61 20.768 -30.738 -12.036 1.00 0.00 O ATOM 970 CB VAL A 61 19.539 -33.546 -12.664 1.00 0.00 C ATOM 971 CG1 VAL A 61 19.888 -35.045 -12.756 1.00 0.00 C ATOM 972 CG2 VAL A 61 18.035 -33.361 -12.926 1.00 0.00 C ATOM 0 H VAL A 61 18.628 -34.077 -10.285 1.00 0.00 H new ATOM 0 HA VAL A 61 21.115 -33.163 -11.266 1.00 0.00 H new ATOM 0 HB VAL A 61 20.062 -32.986 -13.439 1.00 0.00 H new ATOM 0 HG11 VAL A 61 19.515 -35.448 -13.697 1.00 0.00 H new ATOM 0 HG12 VAL A 61 20.970 -35.170 -12.711 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.426 -35.578 -11.925 1.00 0.00 H new ATOM 0 HG21 VAL A 61 17.771 -33.828 -13.875 1.00 0.00 H new ATOM 0 HG22 VAL A 61 17.466 -33.826 -12.121 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.801 -32.297 -12.968 1.00 0.00 H new ATOM 982 N ARG A 62 19.025 -30.754 -10.623 1.00 0.00 N ATOM 983 CA ARG A 62 19.037 -29.311 -10.346 1.00 0.00 C ATOM 984 C ARG A 62 20.229 -28.883 -9.458 1.00 0.00 C ATOM 985 O ARG A 62 20.869 -27.868 -9.748 1.00 0.00 O ATOM 986 CB ARG A 62 17.665 -28.927 -9.725 1.00 0.00 C ATOM 987 CG ARG A 62 17.375 -27.410 -9.639 1.00 0.00 C ATOM 988 CD ARG A 62 15.882 -27.096 -9.406 1.00 0.00 C ATOM 989 NE ARG A 62 15.471 -27.468 -8.047 1.00 0.00 N ATOM 990 CZ ARG A 62 14.994 -26.668 -7.133 1.00 0.00 C ATOM 991 NH1 ARG A 62 14.911 -25.394 -7.253 1.00 0.00 N ATOM 992 NH2 ARG A 62 14.575 -27.192 -6.047 1.00 0.00 N ATOM 0 H ARG A 62 18.228 -31.241 -10.214 1.00 0.00 H new ATOM 0 HA ARG A 62 19.180 -28.766 -11.279 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.876 -29.398 -10.311 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.610 -29.347 -8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.963 -26.978 -8.829 1.00 0.00 H new ATOM 0 HG3 ARG A 62 17.702 -26.930 -10.561 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.701 -26.033 -9.566 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.276 -27.636 -10.133 1.00 0.00 H new ATOM 0 HE ARG A 62 15.568 -28.451 -7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.231 -24.940 -8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.525 -24.834 -6.493 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.620 -28.203 -5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.195 -26.600 -5.308 1.00 0.00 H new ATOM 1006 N ALA A 63 20.554 -29.632 -8.391 1.00 0.00 N ATOM 1007 CA ALA A 63 21.727 -29.367 -7.552 1.00 0.00 C ATOM 1008 C ALA A 63 23.062 -29.896 -8.125 1.00 0.00 C ATOM 1009 O ALA A 63 24.015 -29.123 -8.250 1.00 0.00 O ATOM 1010 CB ALA A 63 21.459 -29.950 -6.149 1.00 0.00 C ATOM 0 H ALA A 63 20.008 -30.439 -8.088 1.00 0.00 H new ATOM 0 HA ALA A 63 21.859 -28.286 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 63 22.320 -29.764 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 63 20.577 -29.475 -5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 63 21.290 -31.024 -6.227 1.00 0.00 H new ATOM 1016 N GLU A 64 23.172 -31.179 -8.507 1.00 0.00 N ATOM 1017 CA GLU A 64 24.434 -31.798 -8.940 1.00 0.00 C ATOM 1018 C GLU A 64 24.800 -31.454 -10.405 1.00 0.00 C ATOM 1019 O GLU A 64 24.804 -32.287 -11.315 1.00 0.00 O ATOM 1020 CB GLU A 64 24.359 -33.337 -8.704 1.00 0.00 C ATOM 1021 CG GLU A 64 24.202 -33.732 -7.202 1.00 0.00 C ATOM 1022 CD GLU A 64 24.080 -35.244 -6.999 1.00 0.00 C ATOM 1023 OE1 GLU A 64 25.098 -35.929 -7.041 1.00 0.00 O ATOM 1024 OE2 GLU A 64 22.966 -35.722 -6.778 1.00 0.00 O ATOM 0 H GLU A 64 22.380 -31.821 -8.524 1.00 0.00 H new ATOM 0 HA GLU A 64 25.242 -31.383 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.518 -33.742 -9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 64 25.262 -33.801 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 64 25.061 -33.362 -6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.319 -33.242 -6.792 1.00 0.00 H new ATOM 1031 N GLN A 65 25.090 -30.170 -10.630 1.00 0.00 N ATOM 1032 CA GLN A 65 25.557 -29.668 -11.925 1.00 0.00 C ATOM 1033 C GLN A 65 27.093 -29.523 -12.013 1.00 0.00 C ATOM 1034 O GLN A 65 27.704 -28.913 -11.132 1.00 0.00 O ATOM 1035 CB GLN A 65 24.849 -28.319 -12.236 1.00 0.00 C ATOM 1036 CG GLN A 65 23.318 -28.461 -12.475 1.00 0.00 C ATOM 1037 CD GLN A 65 22.671 -27.106 -12.769 1.00 0.00 C ATOM 1038 OE1 GLN A 65 22.921 -26.479 -13.791 1.00 0.00 O ATOM 1039 NE2 GLN A 65 21.812 -26.584 -11.915 1.00 0.00 N ATOM 0 H GLN A 65 25.007 -29.446 -9.916 1.00 0.00 H new ATOM 0 HA GLN A 65 25.293 -30.411 -12.678 1.00 0.00 H new ATOM 0 HB2 GLN A 65 25.017 -27.631 -11.408 1.00 0.00 H new ATOM 0 HB3 GLN A 65 25.307 -27.873 -13.119 1.00 0.00 H new ATOM 0 HG2 GLN A 65 23.140 -29.140 -13.309 1.00 0.00 H new ATOM 0 HG3 GLN A 65 22.851 -28.906 -11.597 1.00 0.00 H new ATOM 0 HE21 GLN A 65 21.582 -27.081 -11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 65 21.377 -25.683 -12.115 1.00 0.00 H new ATOM 1048 N SER A 66 27.665 -30.024 -12.980 1.00 0.00 N TER 1049 SER A 66