USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=17 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 1 MET N :NH3+ 162:sc= 0.936 (180deg=-0.477) USER MOD Set 1.2: A 3 GLN : amide:sc= 1.05 K(o=4.6,f=-7.5) USER MOD Set 1.3: A 60 GLN : amide:sc= 2.65 K(o=4.6,f=-7!) USER MOD Set 2.1: A 13 TYR OH : rot 170:sc= 0.863 USER MOD Set 2.2: A 19 LYS NZ :NH3+ 173:sc= 1.63 (180deg=0.219) USER MOD Set 3.1: A 12 LYS NZ :NH3+ 170:sc= 2.2 (180deg=1.82) USER MOD Set 3.2: A 46 LYS NZ :NH3+ -170:sc= 1.1 (180deg=1.04) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= 1.24 (180deg=1.04) USER MOD Single : A 5 LYS NZ :NH3+ 152:sc= 1.17 (180deg=1.04) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= 1.29 (180deg=1.14) 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+ -159:sc= 1.2 (180deg=1.02) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.944 K(o=0.94,f=-5.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 1.04 (180deg=0.676) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 1.72 (180deg=1.54) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.06) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 1.14 K(o=1.1,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.689 -37.596 -7.643 1.00 0.00 N ATOM 2 CA MET A 1 21.603 -38.019 -6.583 1.00 0.00 C ATOM 3 C MET A 1 21.566 -39.539 -6.308 1.00 0.00 C ATOM 4 O MET A 1 22.542 -40.249 -6.555 1.00 0.00 O ATOM 5 CB MET A 1 21.317 -37.213 -5.280 1.00 0.00 C ATOM 6 CG MET A 1 21.588 -35.687 -5.328 1.00 0.00 C ATOM 7 SD MET A 1 23.337 -35.241 -5.511 1.00 0.00 S ATOM 8 CE MET A 1 23.333 -34.423 -7.126 1.00 0.00 C ATOM 0 H1 MET A 1 20.531 -36.570 -7.576 1.00 0.00 H new ATOM 0 H2 MET A 1 21.103 -37.823 -8.570 1.00 0.00 H new ATOM 0 H3 MET A 1 19.782 -38.093 -7.538 1.00 0.00 H new ATOM 0 HA MET A 1 22.612 -37.804 -6.933 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.272 -37.364 -5.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.919 -37.640 -4.478 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.027 -35.257 -6.158 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.204 -35.233 -4.414 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.343 -34.095 -7.370 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.984 -35.121 -7.887 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.669 -33.559 -7.095 1.00 0.00 H new ATOM 20 N LEU A 2 20.430 -40.058 -5.822 1.00 0.00 N ATOM 21 CA LEU A 2 20.292 -41.446 -5.373 1.00 0.00 C ATOM 22 C LEU A 2 20.052 -42.445 -6.536 1.00 0.00 C ATOM 23 O LEU A 2 18.971 -43.013 -6.739 1.00 0.00 O ATOM 24 CB LEU A 2 19.167 -41.483 -4.300 1.00 0.00 C ATOM 25 CG LEU A 2 19.383 -40.597 -3.045 1.00 0.00 C ATOM 26 CD1 LEU A 2 18.089 -40.553 -2.218 1.00 0.00 C ATOM 27 CD2 LEU A 2 20.516 -41.121 -2.142 1.00 0.00 C ATOM 0 H LEU A 2 19.571 -39.516 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 2 21.232 -41.781 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 2 18.233 -41.182 -4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 2 19.041 -42.515 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 2 19.660 -39.604 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 2 18.242 -39.930 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 2 17.285 -40.135 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 2 17.821 -41.563 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 2 20.626 -40.465 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 2 20.275 -42.129 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 2 21.450 -41.140 -2.704 1.00 0.00 H new ATOM 39 N GLN A 3 21.124 -42.635 -7.319 1.00 0.00 N ATOM 40 CA GLN A 3 21.154 -43.522 -8.490 1.00 0.00 C ATOM 41 C GLN A 3 20.880 -45.013 -8.191 1.00 0.00 C ATOM 42 O GLN A 3 20.195 -45.692 -8.964 1.00 0.00 O ATOM 43 CB GLN A 3 22.483 -43.300 -9.255 1.00 0.00 C ATOM 44 CG GLN A 3 22.489 -41.902 -9.950 1.00 0.00 C ATOM 45 CD GLN A 3 23.822 -41.558 -10.617 1.00 0.00 C ATOM 46 OE1 GLN A 3 24.360 -40.476 -10.418 1.00 0.00 O ATOM 47 NE2 GLN A 3 24.417 -42.401 -11.438 1.00 0.00 N ATOM 0 H GLN A 3 22.014 -42.165 -7.152 1.00 0.00 H new ATOM 0 HA GLN A 3 20.312 -43.244 -9.124 1.00 0.00 H new ATOM 0 HB2 GLN A 3 23.323 -43.373 -8.564 1.00 0.00 H new ATOM 0 HB3 GLN A 3 22.615 -44.084 -10.001 1.00 0.00 H new ATOM 0 HG2 GLN A 3 21.699 -41.875 -10.700 1.00 0.00 H new ATOM 0 HG3 GLN A 3 22.253 -41.136 -9.211 1.00 0.00 H new ATOM 0 HE21 GLN A 3 23.997 -43.311 -11.627 1.00 0.00 H new ATOM 0 HE22 GLN A 3 25.297 -42.143 -11.884 1.00 0.00 H new ATOM 56 N LYS A 4 21.381 -45.530 -7.061 1.00 0.00 N ATOM 57 CA LYS A 4 20.994 -46.849 -6.551 1.00 0.00 C ATOM 58 C LYS A 4 19.500 -46.973 -6.185 1.00 0.00 C ATOM 59 O LYS A 4 18.931 -48.061 -6.292 1.00 0.00 O ATOM 60 CB LYS A 4 21.909 -47.247 -5.358 1.00 0.00 C ATOM 61 CG LYS A 4 23.248 -47.878 -5.817 1.00 0.00 C ATOM 62 CD LYS A 4 23.048 -49.341 -6.276 1.00 0.00 C ATOM 63 CE LYS A 4 24.255 -49.908 -7.010 1.00 0.00 C ATOM 64 NZ LYS A 4 23.837 -51.201 -7.539 1.00 0.00 N ATOM 0 H LYS A 4 22.064 -45.046 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 4 21.139 -47.553 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 4 22.116 -46.364 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.379 -47.953 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 4 23.668 -47.292 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.968 -47.846 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.835 -49.962 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.176 -49.395 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.571 -49.242 -7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 4 25.104 -50.019 -6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.441 -51.457 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.925 -51.925 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.847 -51.144 -7.852 1.00 0.00 H new ATOM 78 N LYS A 5 18.845 -45.879 -5.779 1.00 0.00 N ATOM 79 CA LYS A 5 17.414 -45.867 -5.484 1.00 0.00 C ATOM 80 C LYS A 5 16.503 -45.790 -6.725 1.00 0.00 C ATOM 81 O LYS A 5 15.457 -46.449 -6.690 1.00 0.00 O ATOM 82 CB LYS A 5 17.105 -44.772 -4.454 1.00 0.00 C ATOM 83 CG LYS A 5 17.638 -45.077 -3.032 1.00 0.00 C ATOM 84 CD LYS A 5 16.718 -46.067 -2.291 1.00 0.00 C ATOM 85 CE LYS A 5 17.305 -46.534 -0.969 1.00 0.00 C ATOM 86 NZ LYS A 5 16.352 -47.488 -0.417 1.00 0.00 N ATOM 0 H LYS A 5 19.298 -44.975 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 5 17.173 -46.838 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.535 -43.832 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.026 -44.629 -4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.644 -45.492 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.713 -44.151 -2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.753 -45.594 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.533 -46.932 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.280 -46.999 -1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.453 -45.694 -0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.854 -48.171 0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.643 -46.981 0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.878 -47.994 -1.193 1.00 0.00 H new ATOM 100 N ILE A 6 16.818 -45.042 -7.812 1.00 0.00 N ATOM 101 CA ILE A 6 16.128 -45.269 -9.106 1.00 0.00 C ATOM 102 C ILE A 6 16.276 -46.723 -9.570 1.00 0.00 C ATOM 103 O ILE A 6 15.288 -47.307 -10.020 1.00 0.00 O ATOM 104 CB ILE A 6 16.487 -44.362 -10.336 1.00 0.00 C ATOM 105 CG1 ILE A 6 17.974 -44.020 -10.527 1.00 0.00 C ATOM 106 CG2 ILE A 6 15.551 -43.156 -10.433 1.00 0.00 C ATOM 107 CD1 ILE A 6 18.364 -43.712 -11.992 1.00 0.00 C ATOM 0 H ILE A 6 17.520 -44.302 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 6 15.111 -44.989 -8.830 1.00 0.00 H new ATOM 0 HB ILE A 6 16.303 -44.994 -11.205 1.00 0.00 H new ATOM 0 HG12 ILE A 6 18.221 -43.158 -9.907 1.00 0.00 H new ATOM 0 HG13 ILE A 6 18.577 -44.854 -10.169 1.00 0.00 H new ATOM 0 HG21 ILE A 6 15.827 -42.549 -11.295 1.00 0.00 H new ATOM 0 HG22 ILE A 6 14.523 -43.501 -10.547 1.00 0.00 H new ATOM 0 HG23 ILE A 6 15.634 -42.557 -9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.428 -43.480 -12.044 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.151 -44.580 -12.616 1.00 0.00 H new ATOM 0 HD13 ILE A 6 17.789 -42.858 -12.350 1.00 0.00 H new ATOM 119 N GLU A 7 17.493 -47.287 -9.442 1.00 0.00 N ATOM 120 CA GLU A 7 17.725 -48.708 -9.683 1.00 0.00 C ATOM 121 C GLU A 7 16.850 -49.575 -8.760 1.00 0.00 C ATOM 122 O GLU A 7 16.061 -50.326 -9.307 1.00 0.00 O ATOM 123 CB GLU A 7 19.237 -49.023 -9.561 1.00 0.00 C ATOM 124 CG GLU A 7 19.616 -50.470 -10.008 1.00 0.00 C ATOM 125 CD GLU A 7 21.130 -50.695 -10.032 1.00 0.00 C ATOM 126 OE1 GLU A 7 21.695 -51.095 -9.010 1.00 0.00 O ATOM 127 OE2 GLU A 7 21.738 -50.479 -11.075 1.00 0.00 O ATOM 0 H GLU A 7 18.329 -46.769 -9.171 1.00 0.00 H new ATOM 0 HA GLU A 7 17.425 -48.958 -10.701 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.798 -48.308 -10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.546 -48.880 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 7 19.155 -51.189 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 7 19.207 -50.660 -11.001 1.00 0.00 H new ATOM 134 N GLU A 8 16.857 -49.486 -7.423 1.00 0.00 N ATOM 135 CA GLU A 8 16.015 -50.320 -6.545 1.00 0.00 C ATOM 136 C GLU A 8 14.482 -50.220 -6.776 1.00 0.00 C ATOM 137 O GLU A 8 13.781 -51.210 -6.539 1.00 0.00 O ATOM 138 CB GLU A 8 16.402 -49.952 -5.084 1.00 0.00 C ATOM 139 CG GLU A 8 15.773 -50.840 -3.966 1.00 0.00 C ATOM 140 CD GLU A 8 16.232 -50.421 -2.568 1.00 0.00 C ATOM 141 OE1 GLU A 8 15.709 -49.438 -2.033 1.00 0.00 O ATOM 142 OE2 GLU A 8 17.105 -51.080 -2.015 1.00 0.00 O ATOM 0 H GLU A 8 17.450 -48.830 -6.914 1.00 0.00 H new ATOM 0 HA GLU A 8 16.217 -51.365 -6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.487 -50.002 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.114 -48.916 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.686 -50.778 -4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.042 -51.882 -4.138 1.00 0.00 H new ATOM 149 N GLU A 9 13.904 -49.088 -7.210 1.00 0.00 N ATOM 150 CA GLU A 9 12.475 -48.996 -7.575 1.00 0.00 C ATOM 151 C GLU A 9 12.215 -49.486 -9.015 1.00 0.00 C ATOM 152 O GLU A 9 11.497 -50.470 -9.208 1.00 0.00 O ATOM 153 CB GLU A 9 11.970 -47.552 -7.300 1.00 0.00 C ATOM 154 CG GLU A 9 12.339 -46.990 -5.873 1.00 0.00 C ATOM 155 CD GLU A 9 11.619 -47.584 -4.652 1.00 0.00 C ATOM 156 OE1 GLU A 9 11.556 -48.804 -4.448 1.00 0.00 O ATOM 157 OE2 GLU A 9 11.175 -46.790 -3.822 1.00 0.00 O ATOM 0 H GLU A 9 14.411 -48.210 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 9 11.892 -49.672 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.384 -46.886 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.886 -47.532 -7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.410 -47.127 -5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.153 -45.916 -5.880 1.00 0.00 H new ATOM 164 N ALA A 10 12.783 -48.824 -10.029 1.00 0.00 N ATOM 165 CA ALA A 10 12.749 -49.289 -11.431 1.00 0.00 C ATOM 166 C ALA A 10 13.560 -50.570 -11.781 1.00 0.00 C ATOM 167 O ALA A 10 13.643 -50.904 -12.964 1.00 0.00 O ATOM 168 CB ALA A 10 13.106 -48.060 -12.316 1.00 0.00 C ATOM 0 H ALA A 10 13.284 -47.944 -9.905 1.00 0.00 H new ATOM 0 HA ALA A 10 11.742 -49.655 -11.633 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.095 -48.352 -13.366 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.375 -47.269 -12.152 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.099 -47.697 -12.051 1.00 0.00 H new ATOM 174 N ALA A 11 14.206 -51.312 -10.867 1.00 0.00 N ATOM 175 CA ALA A 11 14.530 -52.737 -11.059 1.00 0.00 C ATOM 176 C ALA A 11 13.391 -53.719 -10.729 1.00 0.00 C ATOM 177 O ALA A 11 13.292 -54.753 -11.392 1.00 0.00 O ATOM 178 CB ALA A 11 15.781 -53.138 -10.238 1.00 0.00 C ATOM 0 H ALA A 11 14.520 -50.940 -9.971 1.00 0.00 H new ATOM 0 HA ALA A 11 14.716 -52.823 -12.130 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.998 -54.194 -10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.634 -52.540 -10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.593 -52.963 -9.179 1.00 0.00 H new ATOM 184 N LYS A 12 12.539 -53.432 -9.727 1.00 0.00 N ATOM 185 CA LYS A 12 11.553 -54.392 -9.210 1.00 0.00 C ATOM 186 C LYS A 12 10.495 -54.834 -10.236 1.00 0.00 C ATOM 187 O LYS A 12 10.160 -56.024 -10.288 1.00 0.00 O ATOM 188 CB LYS A 12 10.873 -53.855 -7.925 1.00 0.00 C ATOM 189 CG LYS A 12 11.801 -53.913 -6.689 1.00 0.00 C ATOM 190 CD LYS A 12 11.070 -53.596 -5.360 1.00 0.00 C ATOM 191 CE LYS A 12 10.680 -52.125 -5.147 1.00 0.00 C ATOM 192 NZ LYS A 12 11.883 -51.364 -4.829 1.00 0.00 N ATOM 0 H LYS A 12 12.517 -52.528 -9.255 1.00 0.00 H new ATOM 0 HA LYS A 12 12.126 -55.288 -8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.558 -52.825 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.973 -54.436 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.246 -54.906 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.619 -53.205 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.166 -54.203 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.708 -53.907 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.206 -51.726 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.954 -52.040 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.666 -50.347 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.220 -51.628 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.622 -51.574 -5.530 1.00 0.00 H new ATOM 206 N TYR A 13 9.935 -53.870 -10.987 1.00 0.00 N ATOM 207 CA TYR A 13 9.138 -54.058 -12.213 1.00 0.00 C ATOM 208 C TYR A 13 7.813 -54.845 -12.120 1.00 0.00 C ATOM 209 O TYR A 13 6.940 -54.695 -12.974 1.00 0.00 O ATOM 210 CB TYR A 13 10.056 -54.569 -13.362 1.00 0.00 C ATOM 211 CG TYR A 13 10.305 -53.444 -14.375 1.00 0.00 C ATOM 212 CD1 TYR A 13 11.027 -52.299 -14.059 1.00 0.00 C ATOM 213 CD2 TYR A 13 9.777 -53.534 -15.651 1.00 0.00 C ATOM 214 CE1 TYR A 13 11.210 -51.296 -14.985 1.00 0.00 C ATOM 215 CE2 TYR A 13 9.950 -52.529 -16.577 1.00 0.00 C ATOM 216 CZ TYR A 13 10.662 -51.410 -16.238 1.00 0.00 C ATOM 217 OH TYR A 13 10.732 -50.375 -17.117 1.00 0.00 O ATOM 0 H TYR A 13 10.031 -52.885 -10.742 1.00 0.00 H new ATOM 0 HA TYR A 13 8.756 -53.060 -12.429 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.004 -54.918 -12.953 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.591 -55.420 -13.859 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.451 -52.194 -13.071 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.215 -54.414 -15.928 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.785 -50.420 -14.725 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.526 -52.623 -17.566 1.00 0.00 H new ATOM 0 HH TYR A 13 10.440 -50.677 -18.002 1.00 0.00 H new ATOM 227 N LYS A 14 7.660 -55.697 -11.106 1.00 0.00 N ATOM 228 CA LYS A 14 6.374 -56.218 -10.631 1.00 0.00 C ATOM 229 C LYS A 14 5.489 -55.054 -10.136 1.00 0.00 C ATOM 230 O LYS A 14 4.289 -54.975 -10.399 1.00 0.00 O ATOM 231 CB LYS A 14 6.658 -57.217 -9.475 1.00 0.00 C ATOM 232 CG LYS A 14 7.606 -58.363 -9.908 1.00 0.00 C ATOM 233 CD LYS A 14 8.326 -59.025 -8.714 1.00 0.00 C ATOM 234 CE LYS A 14 9.729 -59.508 -9.105 1.00 0.00 C ATOM 235 NZ LYS A 14 10.644 -58.367 -9.108 1.00 0.00 N ATOM 0 H LYS A 14 8.453 -56.056 -10.574 1.00 0.00 H new ATOM 0 HA LYS A 14 5.845 -56.726 -11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.100 -56.681 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.717 -57.640 -9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.034 -59.119 -10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.349 -57.971 -10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.400 -58.313 -7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.737 -59.868 -8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.075 -60.266 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.705 -59.974 -10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.512 -58.619 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.188 -57.557 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.884 -58.112 -8.129 1.00 0.00 H new ATOM 249 N TYR A 15 6.142 -54.111 -9.446 1.00 0.00 N ATOM 250 CA TYR A 15 5.571 -52.821 -9.067 1.00 0.00 C ATOM 251 C TYR A 15 5.803 -51.748 -10.159 1.00 0.00 C ATOM 252 O TYR A 15 6.389 -50.677 -9.956 1.00 0.00 O ATOM 253 CB TYR A 15 6.180 -52.427 -7.695 1.00 0.00 C ATOM 254 CG TYR A 15 5.911 -53.498 -6.625 1.00 0.00 C ATOM 255 CD1 TYR A 15 4.629 -53.938 -6.333 1.00 0.00 C ATOM 256 CD2 TYR A 15 6.955 -54.077 -5.924 1.00 0.00 C ATOM 257 CE1 TYR A 15 4.397 -54.913 -5.383 1.00 0.00 C ATOM 258 CE2 TYR A 15 6.734 -55.053 -4.973 1.00 0.00 C ATOM 259 CZ TYR A 15 5.455 -55.470 -4.704 1.00 0.00 C ATOM 260 OH TYR A 15 5.252 -56.432 -3.770 1.00 0.00 O ATOM 0 H TYR A 15 7.104 -54.231 -9.130 1.00 0.00 H new ATOM 0 HA TYR A 15 4.488 -52.895 -8.973 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.255 -52.282 -7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.760 -51.475 -7.370 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.791 -53.508 -6.862 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.967 -53.757 -6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.388 -55.237 -5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.567 -55.488 -4.441 1.00 0.00 H new ATOM 0 HH TYR A 15 6.113 -56.710 -3.394 1.00 0.00 H new ATOM 270 N ALA A 16 5.272 -52.089 -11.341 1.00 0.00 N ATOM 271 CA ALA A 16 5.378 -51.302 -12.573 1.00 0.00 C ATOM 272 C ALA A 16 4.718 -49.912 -12.494 1.00 0.00 C ATOM 273 O ALA A 16 5.260 -48.925 -12.990 1.00 0.00 O ATOM 274 CB ALA A 16 4.766 -52.135 -13.718 1.00 0.00 C ATOM 0 H ALA A 16 4.739 -52.950 -11.468 1.00 0.00 H new ATOM 0 HA ALA A 16 6.434 -51.096 -12.749 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.830 -51.574 -14.650 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.314 -53.072 -13.819 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.721 -52.348 -13.494 1.00 0.00 H new ATOM 280 N MET A 17 3.554 -49.850 -11.835 1.00 0.00 N ATOM 281 CA MET A 17 2.829 -48.612 -11.542 1.00 0.00 C ATOM 282 C MET A 17 3.611 -47.673 -10.594 1.00 0.00 C ATOM 283 O MET A 17 3.520 -46.448 -10.699 1.00 0.00 O ATOM 284 CB MET A 17 1.457 -49.034 -10.951 1.00 0.00 C ATOM 285 CG MET A 17 0.475 -47.871 -10.678 1.00 0.00 C ATOM 286 SD MET A 17 -1.149 -48.453 -10.124 1.00 0.00 S ATOM 287 CE MET A 17 -0.856 -48.700 -8.354 1.00 0.00 C ATOM 0 H MET A 17 3.080 -50.682 -11.483 1.00 0.00 H new ATOM 0 HA MET A 17 2.695 -48.027 -12.452 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.983 -49.735 -11.638 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.630 -49.570 -10.018 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.899 -47.211 -9.921 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.356 -47.279 -11.586 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.770 -49.058 -7.880 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.063 -49.435 -8.216 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.558 -47.755 -7.899 1.00 0.00 H new ATOM 297 N LEU A 18 4.430 -48.242 -9.700 1.00 0.00 N ATOM 298 CA LEU A 18 5.200 -47.482 -8.716 1.00 0.00 C ATOM 299 C LEU A 18 6.556 -47.024 -9.286 1.00 0.00 C ATOM 300 O LEU A 18 6.983 -45.900 -9.021 1.00 0.00 O ATOM 301 CB LEU A 18 5.303 -48.299 -7.398 1.00 0.00 C ATOM 302 CG LEU A 18 3.919 -48.785 -6.862 1.00 0.00 C ATOM 303 CD1 LEU A 18 4.073 -49.631 -5.595 1.00 0.00 C ATOM 304 CD2 LEU A 18 2.960 -47.624 -6.550 1.00 0.00 C ATOM 0 H LEU A 18 4.576 -49.250 -9.642 1.00 0.00 H new ATOM 0 HA LEU A 18 4.680 -46.555 -8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.944 -49.164 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.785 -47.687 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 18 3.494 -49.386 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.090 -49.952 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.684 -50.506 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.554 -49.038 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.015 -48.022 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.403 -46.980 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.781 -47.046 -7.457 1.00 0.00 H new ATOM 316 N LYS A 19 7.260 -47.853 -10.070 1.00 0.00 N ATOM 317 CA LYS A 19 8.207 -47.357 -11.076 1.00 0.00 C ATOM 318 C LYS A 19 7.637 -46.283 -12.047 1.00 0.00 C ATOM 319 O LYS A 19 8.344 -45.320 -12.350 1.00 0.00 O ATOM 320 CB LYS A 19 8.747 -48.610 -11.843 1.00 0.00 C ATOM 321 CG LYS A 19 9.358 -48.371 -13.258 1.00 0.00 C ATOM 322 CD LYS A 19 8.442 -48.860 -14.412 1.00 0.00 C ATOM 323 CE LYS A 19 8.721 -48.109 -15.716 1.00 0.00 C ATOM 324 NZ LYS A 19 8.513 -48.995 -16.854 1.00 0.00 N ATOM 0 H LYS A 19 7.191 -48.870 -10.026 1.00 0.00 H new ATOM 0 HA LYS A 19 9.005 -46.820 -10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.507 -49.084 -11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.928 -49.323 -11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.555 -47.307 -13.386 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.318 -48.883 -13.323 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.593 -49.928 -14.568 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.398 -48.724 -14.130 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.064 -47.242 -15.794 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.745 -47.735 -15.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.588 -48.450 -17.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.234 -49.744 -16.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.568 -49.424 -16.792 1.00 0.00 H new ATOM 338 N LYS A 20 6.415 -46.388 -12.595 1.00 0.00 N ATOM 339 CA LYS A 20 5.795 -45.292 -13.358 1.00 0.00 C ATOM 340 C LYS A 20 5.555 -44.047 -12.461 1.00 0.00 C ATOM 341 O LYS A 20 5.674 -42.923 -12.953 1.00 0.00 O ATOM 342 CB LYS A 20 4.484 -45.849 -13.996 1.00 0.00 C ATOM 343 CG LYS A 20 3.745 -45.021 -15.094 1.00 0.00 C ATOM 344 CD LYS A 20 2.960 -43.760 -14.647 1.00 0.00 C ATOM 345 CE LYS A 20 1.811 -44.025 -13.668 1.00 0.00 C ATOM 346 NZ LYS A 20 1.340 -42.725 -13.209 1.00 0.00 N ATOM 0 H LYS A 20 5.835 -47.224 -12.523 1.00 0.00 H new ATOM 0 HA LYS A 20 6.457 -44.946 -14.152 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.719 -46.823 -14.426 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.775 -46.021 -13.186 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.484 -44.710 -15.833 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.047 -45.687 -15.602 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.657 -43.061 -14.185 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.557 -43.269 -15.533 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.007 -44.577 -14.156 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.151 -44.631 -12.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.830 -42.838 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.152 -42.091 -13.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.701 -42.316 -13.921 1.00 0.00 H new ATOM 360 N CYS A 21 5.233 -44.192 -11.162 1.00 0.00 N ATOM 361 CA CYS A 21 5.221 -43.080 -10.197 1.00 0.00 C ATOM 362 C CYS A 21 6.604 -42.405 -9.996 1.00 0.00 C ATOM 363 O CYS A 21 6.676 -41.173 -9.883 1.00 0.00 O ATOM 364 CB CYS A 21 4.647 -43.610 -8.876 1.00 0.00 C ATOM 365 SG CYS A 21 4.098 -42.324 -7.732 1.00 0.00 S ATOM 0 H CYS A 21 4.973 -45.089 -10.752 1.00 0.00 H new ATOM 0 HA CYS A 21 4.593 -42.284 -10.597 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.805 -44.266 -9.097 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.405 -44.219 -8.383 1.00 0.00 H new ATOM 370 N CYS A 22 7.703 -43.189 -9.985 1.00 0.00 N ATOM 371 CA CYS A 22 9.066 -42.688 -10.253 1.00 0.00 C ATOM 372 C CYS A 22 9.073 -41.813 -11.498 1.00 0.00 C ATOM 373 O CYS A 22 9.452 -40.646 -11.450 1.00 0.00 O ATOM 374 CB CYS A 22 10.100 -43.845 -10.307 1.00 0.00 C ATOM 375 SG CYS A 22 11.801 -43.416 -9.831 1.00 0.00 S ATOM 0 H CYS A 22 7.669 -44.189 -9.789 1.00 0.00 H new ATOM 0 HA CYS A 22 9.379 -42.057 -9.421 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.753 -44.647 -9.655 1.00 0.00 H new ATOM 0 HB3 CYS A 22 10.117 -44.243 -11.321 1.00 0.00 H new ATOM 380 N TYR A 23 8.590 -42.340 -12.604 1.00 0.00 N ATOM 381 CA TYR A 23 8.663 -41.614 -13.857 1.00 0.00 C ATOM 382 C TYR A 23 7.693 -40.406 -13.959 1.00 0.00 C ATOM 383 O TYR A 23 7.955 -39.487 -14.737 1.00 0.00 O ATOM 384 CB TYR A 23 8.658 -42.683 -14.935 1.00 0.00 C ATOM 385 CG TYR A 23 9.863 -43.662 -14.808 1.00 0.00 C ATOM 386 CD1 TYR A 23 10.907 -43.642 -13.851 1.00 0.00 C ATOM 387 CD2 TYR A 23 9.992 -44.563 -15.842 1.00 0.00 C ATOM 388 CE1 TYR A 23 12.020 -44.446 -14.010 1.00 0.00 C ATOM 389 CE2 TYR A 23 11.108 -45.360 -15.996 1.00 0.00 C ATOM 390 CZ TYR A 23 12.127 -45.293 -15.081 1.00 0.00 C ATOM 391 OH TYR A 23 13.241 -46.053 -15.228 1.00 0.00 O ATOM 0 H TYR A 23 8.148 -43.257 -12.663 1.00 0.00 H new ATOM 0 HA TYR A 23 9.580 -41.037 -13.976 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.727 -43.248 -14.878 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.682 -42.207 -15.915 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.833 -42.994 -12.990 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.189 -44.649 -16.559 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.815 -44.406 -13.280 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.179 -46.035 -16.836 1.00 0.00 H new ATOM 0 HH TYR A 23 13.160 -46.600 -16.037 1.00 0.00 H new ATOM 401 N ASP A 24 6.618 -40.350 -13.148 1.00 0.00 N ATOM 402 CA ASP A 24 5.930 -39.096 -12.783 1.00 0.00 C ATOM 403 C ASP A 24 6.853 -38.077 -12.079 1.00 0.00 C ATOM 404 O ASP A 24 6.837 -36.894 -12.429 1.00 0.00 O ATOM 405 CB ASP A 24 4.677 -39.358 -11.893 1.00 0.00 C ATOM 406 CG ASP A 24 3.585 -40.136 -12.626 1.00 0.00 C ATOM 407 OD1 ASP A 24 3.166 -39.724 -13.705 1.00 0.00 O ATOM 408 OD2 ASP A 24 3.115 -41.146 -12.099 1.00 0.00 O ATOM 0 H ASP A 24 6.200 -41.179 -12.725 1.00 0.00 H new ATOM 0 HA ASP A 24 5.614 -38.661 -13.731 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.978 -39.912 -11.004 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.272 -38.405 -11.553 1.00 0.00 H new ATOM 413 N GLY A 25 7.640 -38.516 -11.083 1.00 0.00 N ATOM 414 CA GLY A 25 8.699 -37.696 -10.467 1.00 0.00 C ATOM 415 C GLY A 25 9.813 -37.243 -11.421 1.00 0.00 C ATOM 416 O GLY A 25 10.269 -36.104 -11.321 1.00 0.00 O ATOM 0 H GLY A 25 7.561 -39.450 -10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.240 -36.812 -10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.149 -38.264 -9.653 1.00 0.00 H new ATOM 420 N ALA A 26 10.264 -38.128 -12.322 1.00 0.00 N ATOM 421 CA ALA A 26 11.236 -37.792 -13.369 1.00 0.00 C ATOM 422 C ALA A 26 10.706 -36.781 -14.407 1.00 0.00 C ATOM 423 O ALA A 26 11.451 -35.876 -14.795 1.00 0.00 O ATOM 424 CB ALA A 26 11.728 -39.074 -14.065 1.00 0.00 C ATOM 0 H ALA A 26 9.962 -39.102 -12.344 1.00 0.00 H new ATOM 0 HA ALA A 26 12.069 -37.298 -12.869 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.449 -38.814 -14.840 1.00 0.00 H new ATOM 0 HB2 ALA A 26 12.203 -39.726 -13.332 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.881 -39.591 -14.516 1.00 0.00 H new ATOM 430 N TYR A 27 9.450 -36.890 -14.877 1.00 0.00 N ATOM 431 CA TYR A 27 8.828 -35.851 -15.711 1.00 0.00 C ATOM 432 C TYR A 27 8.479 -34.563 -14.924 1.00 0.00 C ATOM 433 O TYR A 27 7.327 -34.248 -14.598 1.00 0.00 O ATOM 434 CB TYR A 27 7.607 -36.428 -16.481 1.00 0.00 C ATOM 435 CG TYR A 27 8.057 -37.247 -17.702 1.00 0.00 C ATOM 436 CD1 TYR A 27 8.259 -36.647 -18.933 1.00 0.00 C ATOM 437 CD2 TYR A 27 8.278 -38.611 -17.619 1.00 0.00 C ATOM 438 CE1 TYR A 27 8.663 -37.378 -20.034 1.00 0.00 C ATOM 439 CE2 TYR A 27 8.681 -39.351 -18.713 1.00 0.00 C ATOM 440 CZ TYR A 27 8.875 -38.728 -19.922 1.00 0.00 C ATOM 441 OH TYR A 27 9.271 -39.433 -21.012 1.00 0.00 O ATOM 0 H TYR A 27 8.846 -37.691 -14.691 1.00 0.00 H new ATOM 0 HA TYR A 27 9.571 -35.539 -16.445 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.018 -37.058 -15.814 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.960 -35.613 -16.805 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.097 -35.584 -19.035 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.131 -39.110 -16.673 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.812 -36.885 -20.984 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.843 -40.415 -18.619 1.00 0.00 H new ATOM 0 HH TYR A 27 9.380 -40.376 -20.770 1.00 0.00 H new ATOM 451 N ARG A 28 9.551 -33.833 -14.588 1.00 0.00 N ATOM 452 CA ARG A 28 9.488 -32.508 -13.976 1.00 0.00 C ATOM 453 C ARG A 28 9.288 -31.384 -15.022 1.00 0.00 C ATOM 454 O ARG A 28 10.153 -31.120 -15.866 1.00 0.00 O ATOM 455 CB ARG A 28 10.802 -32.346 -13.178 1.00 0.00 C ATOM 456 CG ARG A 28 10.933 -31.039 -12.373 1.00 0.00 C ATOM 457 CD ARG A 28 12.242 -31.031 -11.565 1.00 0.00 C ATOM 458 NE ARG A 28 12.355 -29.779 -10.818 1.00 0.00 N ATOM 459 CZ ARG A 28 11.710 -29.477 -9.729 1.00 0.00 C ATOM 460 NH1 ARG A 28 10.831 -30.212 -9.165 1.00 0.00 N ATOM 461 NH2 ARG A 28 11.933 -28.335 -9.221 1.00 0.00 N ATOM 0 H ARG A 28 10.506 -34.159 -14.739 1.00 0.00 H new ATOM 0 HA ARG A 28 8.622 -32.421 -13.320 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.895 -33.187 -12.490 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.639 -32.409 -13.873 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.912 -30.185 -13.050 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.083 -30.933 -11.699 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.262 -31.878 -10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.094 -31.144 -12.235 1.00 0.00 H new ATOM 0 HE ARG A 28 12.999 -29.078 -11.184 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.586 -31.116 -9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.374 -29.895 -8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.594 -27.699 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.451 -28.054 -8.367 1.00 0.00 H new ATOM 475 N ASN A 29 8.124 -30.718 -14.979 1.00 0.00 N ATOM 476 CA ASN A 29 7.795 -29.624 -15.901 1.00 0.00 C ATOM 477 C ASN A 29 8.313 -28.236 -15.435 1.00 0.00 C ATOM 478 O ASN A 29 9.529 -28.041 -15.406 1.00 0.00 O ATOM 479 CB ASN A 29 6.275 -29.679 -16.266 1.00 0.00 C ATOM 480 CG ASN A 29 5.368 -29.586 -15.038 1.00 0.00 C ATOM 481 OD1 ASN A 29 5.163 -28.510 -14.489 1.00 0.00 O ATOM 482 ND2 ASN A 29 4.811 -30.664 -14.527 1.00 0.00 N ATOM 0 H ASN A 29 7.387 -30.923 -14.305 1.00 0.00 H new ATOM 0 HA ASN A 29 8.348 -29.775 -16.828 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.040 -28.862 -16.949 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.067 -30.608 -16.797 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.226 -30.590 -13.695 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.964 -31.573 -14.963 1.00 0.00 H new ATOM 489 N ASP A 30 7.491 -27.246 -15.050 1.00 0.00 N ATOM 490 CA ASP A 30 7.909 -25.879 -14.711 1.00 0.00 C ATOM 491 C ASP A 30 8.533 -25.704 -13.299 1.00 0.00 C ATOM 492 O ASP A 30 8.229 -24.743 -12.588 1.00 0.00 O ATOM 493 CB ASP A 30 6.673 -24.955 -14.936 1.00 0.00 C ATOM 494 CG ASP A 30 6.236 -24.949 -16.399 1.00 0.00 C ATOM 495 OD1 ASP A 30 5.412 -25.784 -16.768 1.00 0.00 O ATOM 496 OD2 ASP A 30 6.728 -24.112 -17.149 1.00 0.00 O ATOM 0 H ASP A 30 6.484 -27.382 -14.964 1.00 0.00 H new ATOM 0 HA ASP A 30 8.736 -25.603 -15.365 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.847 -25.292 -14.310 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.915 -23.939 -14.624 1.00 0.00 H new ATOM 501 N ASP A 31 9.436 -26.619 -12.910 1.00 0.00 N ATOM 502 CA ASP A 31 10.107 -26.671 -11.600 1.00 0.00 C ATOM 503 C ASP A 31 9.196 -26.621 -10.344 1.00 0.00 C ATOM 504 O ASP A 31 9.300 -25.746 -9.480 1.00 0.00 O ATOM 505 CB ASP A 31 11.291 -25.647 -11.538 1.00 0.00 C ATOM 506 CG ASP A 31 12.574 -26.265 -12.084 1.00 0.00 C ATOM 507 OD1 ASP A 31 13.243 -26.971 -11.326 1.00 0.00 O ATOM 508 OD2 ASP A 31 12.867 -26.088 -13.267 1.00 0.00 O ATOM 0 H ASP A 31 9.731 -27.376 -13.527 1.00 0.00 H new ATOM 0 HA ASP A 31 10.509 -27.683 -11.543 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.038 -24.757 -12.114 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.447 -25.327 -10.508 1.00 0.00 H new ATOM 513 N GLU A 32 8.308 -27.617 -10.246 1.00 0.00 N ATOM 514 CA GLU A 32 7.372 -27.789 -9.128 1.00 0.00 C ATOM 515 C GLU A 32 8.012 -28.253 -7.790 1.00 0.00 C ATOM 516 O GLU A 32 9.068 -28.895 -7.755 1.00 0.00 O ATOM 517 CB GLU A 32 6.274 -28.791 -9.567 1.00 0.00 C ATOM 518 CG GLU A 32 5.440 -28.324 -10.805 1.00 0.00 C ATOM 519 CD GLU A 32 4.334 -29.319 -11.170 1.00 0.00 C ATOM 520 OE1 GLU A 32 4.629 -30.350 -11.787 1.00 0.00 O ATOM 521 OE2 GLU A 32 3.186 -29.065 -10.824 1.00 0.00 O ATOM 0 H GLU A 32 8.218 -28.342 -10.958 1.00 0.00 H new ATOM 0 HA GLU A 32 6.965 -26.802 -8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.742 -29.748 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.597 -28.961 -8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.996 -27.351 -10.595 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.104 -28.193 -11.659 1.00 0.00 H new ATOM 528 N THR A 33 7.373 -27.938 -6.653 1.00 0.00 N ATOM 529 CA THR A 33 7.788 -28.438 -5.330 1.00 0.00 C ATOM 530 C THR A 33 7.306 -29.890 -5.118 1.00 0.00 C ATOM 531 O THR A 33 6.110 -30.135 -4.922 1.00 0.00 O ATOM 532 CB THR A 33 7.263 -27.512 -4.198 1.00 0.00 C ATOM 533 OG1 THR A 33 7.656 -26.177 -4.464 1.00 0.00 O ATOM 534 CG2 THR A 33 7.882 -27.792 -2.828 1.00 0.00 C ATOM 0 H THR A 33 6.554 -27.330 -6.623 1.00 0.00 H new ATOM 0 HA THR A 33 8.877 -28.432 -5.293 1.00 0.00 H new ATOM 0 HB THR A 33 6.187 -27.684 -4.177 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.325 -25.590 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.464 -27.105 -2.093 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.662 -28.818 -2.532 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.962 -27.654 -2.881 1.00 0.00 H new ATOM 542 N CYS A 34 8.246 -30.849 -5.112 1.00 0.00 N ATOM 543 CA CYS A 34 7.976 -32.285 -5.273 1.00 0.00 C ATOM 544 C CYS A 34 7.046 -32.932 -4.235 1.00 0.00 C ATOM 545 O CYS A 34 6.191 -33.724 -4.626 1.00 0.00 O ATOM 546 CB CYS A 34 9.298 -33.082 -5.339 1.00 0.00 C ATOM 547 SG CYS A 34 10.172 -32.949 -6.920 1.00 0.00 S ATOM 0 H CYS A 34 9.237 -30.641 -4.992 1.00 0.00 H new ATOM 0 HA CYS A 34 7.426 -32.336 -6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 34 9.957 -32.736 -4.543 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.085 -34.133 -5.142 1.00 0.00 H new ATOM 552 N GLU A 35 7.174 -32.638 -2.938 1.00 0.00 N ATOM 553 CA GLU A 35 6.272 -33.189 -1.914 1.00 0.00 C ATOM 554 C GLU A 35 4.895 -32.495 -1.847 1.00 0.00 C ATOM 555 O GLU A 35 3.958 -33.084 -1.313 1.00 0.00 O ATOM 556 CB GLU A 35 6.934 -33.351 -0.506 1.00 0.00 C ATOM 557 CG GLU A 35 7.673 -32.121 0.119 1.00 0.00 C ATOM 558 CD GLU A 35 8.992 -31.828 -0.598 1.00 0.00 C ATOM 559 OE1 GLU A 35 9.985 -32.515 -0.348 1.00 0.00 O ATOM 560 OE2 GLU A 35 8.992 -30.969 -1.479 1.00 0.00 O ATOM 0 H GLU A 35 7.896 -32.019 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 35 6.070 -34.202 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.156 -33.660 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.650 -34.171 -0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.028 -31.244 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.867 -32.311 1.175 1.00 0.00 H new ATOM 567 N GLU A 36 4.722 -31.273 -2.375 1.00 0.00 N ATOM 568 CA GLU A 36 3.397 -30.673 -2.590 1.00 0.00 C ATOM 569 C GLU A 36 2.716 -31.329 -3.812 1.00 0.00 C ATOM 570 O GLU A 36 1.561 -31.765 -3.750 1.00 0.00 O ATOM 571 CB GLU A 36 3.572 -29.131 -2.740 1.00 0.00 C ATOM 572 CG GLU A 36 2.261 -28.266 -2.782 1.00 0.00 C ATOM 573 CD GLU A 36 1.523 -28.242 -4.129 1.00 0.00 C ATOM 574 OE1 GLU A 36 2.164 -28.079 -5.166 1.00 0.00 O ATOM 575 OE2 GLU A 36 0.297 -28.364 -4.117 1.00 0.00 O ATOM 0 H GLU A 36 5.496 -30.675 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 36 2.739 -30.853 -1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.185 -28.777 -1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.133 -28.941 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.577 -28.639 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.514 -27.242 -2.509 1.00 0.00 H new ATOM 582 N ARG A 37 3.486 -31.416 -4.909 1.00 0.00 N ATOM 583 CA ARG A 37 3.135 -32.155 -6.123 1.00 0.00 C ATOM 584 C ARG A 37 2.752 -33.618 -5.808 1.00 0.00 C ATOM 585 O ARG A 37 1.699 -34.087 -6.237 1.00 0.00 O ATOM 586 CB ARG A 37 4.391 -32.091 -7.024 1.00 0.00 C ATOM 587 CG ARG A 37 4.236 -32.476 -8.507 1.00 0.00 C ATOM 588 CD ARG A 37 5.638 -32.629 -9.116 1.00 0.00 C ATOM 589 NE ARG A 37 5.546 -32.572 -10.575 1.00 0.00 N ATOM 590 CZ ARG A 37 6.067 -33.404 -11.433 1.00 0.00 C ATOM 591 NH1 ARG A 37 6.769 -34.431 -11.135 1.00 0.00 N ATOM 592 NH2 ARG A 37 5.865 -33.157 -12.665 1.00 0.00 N ATOM 0 H ARG A 37 4.396 -30.959 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 37 2.263 -31.720 -6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.781 -31.074 -6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.149 -32.741 -6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.678 -33.407 -8.601 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.672 -31.711 -9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.293 -31.838 -8.751 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.079 -33.576 -8.806 1.00 0.00 H new ATOM 0 HE ARG A 37 5.014 -31.794 -10.965 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.960 -34.652 -10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.138 -35.029 -11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.318 -32.341 -12.938 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.250 -33.776 -13.379 1.00 0.00 H new ATOM 606 N ALA A 38 3.570 -34.351 -5.041 1.00 0.00 N ATOM 607 CA ALA A 38 3.236 -35.695 -4.578 1.00 0.00 C ATOM 608 C ALA A 38 2.526 -35.802 -3.204 1.00 0.00 C ATOM 609 O ALA A 38 2.433 -36.886 -2.628 1.00 0.00 O ATOM 610 CB ALA A 38 4.474 -36.570 -4.754 1.00 0.00 C ATOM 0 H ALA A 38 4.483 -34.023 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 38 2.432 -36.079 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.255 -37.583 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.757 -36.592 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.295 -36.161 -4.166 1.00 0.00 H new ATOM 616 N ALA A 39 2.044 -34.704 -2.605 1.00 0.00 N ATOM 617 CA ALA A 39 0.807 -34.730 -1.817 1.00 0.00 C ATOM 618 C ALA A 39 -0.449 -34.849 -2.707 1.00 0.00 C ATOM 619 O ALA A 39 -1.447 -35.450 -2.295 1.00 0.00 O ATOM 620 CB ALA A 39 0.724 -33.474 -0.926 1.00 0.00 C ATOM 0 H ALA A 39 2.492 -33.789 -2.652 1.00 0.00 H new ATOM 0 HA ALA A 39 0.835 -35.619 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.197 -33.501 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.579 -33.450 -0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.731 -32.582 -1.553 1.00 0.00 H new ATOM 626 N ARG A 40 -0.434 -34.247 -3.910 1.00 0.00 N ATOM 627 CA ARG A 40 -1.475 -34.478 -4.927 1.00 0.00 C ATOM 628 C ARG A 40 -1.402 -35.912 -5.512 1.00 0.00 C ATOM 629 O ARG A 40 -2.435 -36.571 -5.648 1.00 0.00 O ATOM 630 CB ARG A 40 -1.392 -33.417 -6.067 1.00 0.00 C ATOM 631 CG ARG A 40 -1.279 -31.933 -5.625 1.00 0.00 C ATOM 632 CD ARG A 40 -2.500 -31.345 -4.917 1.00 0.00 C ATOM 633 NE ARG A 40 -2.116 -30.004 -4.481 1.00 0.00 N ATOM 634 CZ ARG A 40 -2.898 -29.095 -3.980 1.00 0.00 C ATOM 635 NH1 ARG A 40 -4.159 -29.228 -3.801 1.00 0.00 N ATOM 636 NH2 ARG A 40 -2.338 -28.003 -3.651 1.00 0.00 N ATOM 0 H ARG A 40 0.292 -33.593 -4.202 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.438 -34.373 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.530 -33.654 -6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.278 -33.520 -6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.419 -31.838 -4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.070 -31.328 -6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.357 -31.305 -5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.791 -31.962 -4.067 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.132 -29.756 -4.580 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.622 -30.100 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.701 -28.462 -3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.334 -27.884 -3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.892 -27.246 -3.251 1.00 0.00 H new ATOM 650 N ILE A 41 -0.213 -36.408 -5.903 1.00 0.00 N ATOM 651 CA ILE A 41 0.056 -37.829 -6.175 1.00 0.00 C ATOM 652 C ILE A 41 0.059 -38.689 -4.886 1.00 0.00 C ATOM 653 O ILE A 41 1.039 -39.067 -4.246 1.00 0.00 O ATOM 654 CB ILE A 41 1.284 -38.075 -7.103 1.00 0.00 C ATOM 655 CG1 ILE A 41 1.119 -37.372 -8.469 1.00 0.00 C ATOM 656 CG2 ILE A 41 1.507 -39.534 -7.383 1.00 0.00 C ATOM 657 CD1 ILE A 41 2.022 -36.168 -8.471 1.00 0.00 C ATOM 0 H ILE A 41 0.606 -35.816 -6.041 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.791 -38.182 -6.763 1.00 0.00 H new ATOM 0 HB ILE A 41 2.136 -37.666 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.381 -38.049 -9.282 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.082 -37.074 -8.624 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.374 -39.651 -8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.683 -40.062 -6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.626 -39.949 -7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.931 -35.646 -9.424 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.736 -35.497 -7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.055 -36.487 -8.330 1.00 0.00 H new ATOM 669 N LYS A 42 -1.200 -38.999 -4.625 1.00 0.00 N ATOM 670 CA LYS A 42 -1.708 -39.617 -3.397 1.00 0.00 C ATOM 671 C LYS A 42 -1.689 -41.165 -3.381 1.00 0.00 C ATOM 672 O LYS A 42 -1.957 -41.774 -2.345 1.00 0.00 O ATOM 673 CB LYS A 42 -3.159 -39.065 -3.230 1.00 0.00 C ATOM 674 CG LYS A 42 -3.795 -39.227 -1.821 1.00 0.00 C ATOM 675 CD LYS A 42 -3.225 -38.288 -0.721 1.00 0.00 C ATOM 676 CE LYS A 42 -3.986 -36.967 -0.518 1.00 0.00 C ATOM 677 NZ LYS A 42 -3.813 -36.098 -1.676 1.00 0.00 N ATOM 0 H LYS A 42 -1.943 -38.818 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.051 -39.358 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.154 -38.005 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.801 -39.564 -3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.868 -39.053 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.663 -40.260 -1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.214 -38.830 0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.189 -38.056 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.046 -37.170 -0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.623 -36.465 0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.107 -35.131 -1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.813 -36.094 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.395 -36.448 -2.463 1.00 0.00 H new ATOM 691 N ILE A 43 -1.315 -41.814 -4.495 1.00 0.00 N ATOM 692 CA ILE A 43 -1.616 -43.227 -4.783 1.00 0.00 C ATOM 693 C ILE A 43 -1.020 -44.240 -3.773 1.00 0.00 C ATOM 694 O ILE A 43 -1.690 -45.226 -3.449 1.00 0.00 O ATOM 695 CB ILE A 43 -1.228 -43.530 -6.277 1.00 0.00 C ATOM 696 CG1 ILE A 43 -2.027 -42.616 -7.260 1.00 0.00 C ATOM 697 CG2 ILE A 43 -1.454 -45.016 -6.669 1.00 0.00 C ATOM 698 CD1 ILE A 43 -1.431 -42.538 -8.685 1.00 0.00 C ATOM 0 H ILE A 43 -0.783 -41.361 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.688 -43.372 -4.651 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.162 -43.319 -6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.051 -42.983 -7.327 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.075 -41.610 -6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.169 -45.165 -7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.846 -45.657 -6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.506 -45.270 -6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.047 -41.883 -9.302 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.417 -42.141 -8.634 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.408 -43.535 -9.125 1.00 0.00 H new ATOM 710 N GLY A 44 0.193 -44.035 -3.234 1.00 0.00 N ATOM 711 CA GLY A 44 0.731 -44.915 -2.182 1.00 0.00 C ATOM 712 C GLY A 44 2.066 -44.481 -1.533 1.00 0.00 C ATOM 713 O GLY A 44 2.772 -43.662 -2.131 1.00 0.00 O ATOM 0 H GLY A 44 0.816 -43.274 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.018 -45.003 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.866 -45.910 -2.606 1.00 0.00 H new ATOM 717 N PRO A 45 2.469 -44.996 -0.339 1.00 0.00 N ATOM 718 CA PRO A 45 3.785 -44.750 0.295 1.00 0.00 C ATOM 719 C PRO A 45 5.014 -45.045 -0.589 1.00 0.00 C ATOM 720 O PRO A 45 5.919 -44.213 -0.702 1.00 0.00 O ATOM 721 CB PRO A 45 3.766 -45.669 1.530 1.00 0.00 C ATOM 722 CG PRO A 45 2.304 -45.658 1.911 1.00 0.00 C ATOM 723 CD PRO A 45 1.613 -45.785 0.557 1.00 0.00 C ATOM 0 HA PRO A 45 3.901 -43.689 0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.119 -46.673 1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.399 -45.288 2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.051 -46.484 2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.025 -44.738 2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.546 -46.825 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.596 -45.395 0.587 1.00 0.00 H new ATOM 731 N LYS A 46 5.040 -46.224 -1.230 1.00 0.00 N ATOM 732 CA LYS A 46 6.057 -46.579 -2.223 1.00 0.00 C ATOM 733 C LYS A 46 5.996 -45.737 -3.513 1.00 0.00 C ATOM 734 O LYS A 46 7.022 -45.577 -4.175 1.00 0.00 O ATOM 735 CB LYS A 46 5.996 -48.098 -2.541 1.00 0.00 C ATOM 736 CG LYS A 46 6.958 -48.979 -1.710 1.00 0.00 C ATOM 737 CD LYS A 46 8.428 -48.763 -2.134 1.00 0.00 C ATOM 738 CE LYS A 46 9.382 -49.738 -1.460 1.00 0.00 C ATOM 739 NZ LYS A 46 10.730 -49.316 -1.814 1.00 0.00 N ATOM 0 H LYS A 46 4.351 -46.959 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 46 7.020 -46.343 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.976 -48.447 -2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.218 -48.242 -3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.845 -48.745 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.692 -50.029 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.510 -48.870 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.726 -47.743 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.245 -49.729 -0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.195 -50.758 -1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.411 -50.045 -1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.792 -49.180 -2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.951 -48.421 -1.333 1.00 0.00 H new ATOM 753 N CYS A 47 4.820 -45.183 -3.854 1.00 0.00 N ATOM 754 CA CYS A 47 4.659 -44.224 -4.948 1.00 0.00 C ATOM 755 C CYS A 47 5.383 -42.914 -4.586 1.00 0.00 C ATOM 756 O CYS A 47 6.315 -42.566 -5.312 1.00 0.00 O ATOM 757 CB CYS A 47 3.146 -44.004 -5.214 1.00 0.00 C ATOM 758 SG CYS A 47 2.579 -43.213 -6.747 1.00 0.00 S ATOM 0 H CYS A 47 3.948 -45.394 -3.369 1.00 0.00 H new ATOM 0 HA CYS A 47 5.106 -44.606 -5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.666 -44.981 -5.161 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.757 -43.412 -4.385 1.00 0.00 H new ATOM 763 N VAL A 48 5.026 -42.207 -3.489 1.00 0.00 N ATOM 764 CA VAL A 48 5.796 -41.061 -2.980 1.00 0.00 C ATOM 765 C VAL A 48 7.312 -41.306 -2.838 1.00 0.00 C ATOM 766 O VAL A 48 8.114 -40.436 -3.180 1.00 0.00 O ATOM 767 CB VAL A 48 5.285 -40.520 -1.598 1.00 0.00 C ATOM 768 CG1 VAL A 48 5.143 -39.021 -1.704 1.00 0.00 C ATOM 769 CG2 VAL A 48 3.942 -41.029 -1.093 1.00 0.00 C ATOM 0 H VAL A 48 4.196 -42.419 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 48 5.629 -40.321 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 48 6.030 -40.880 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.788 -38.621 -0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.110 -38.580 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.428 -38.778 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.718 -40.571 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.162 -40.769 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.983 -42.112 -0.979 1.00 0.00 H new ATOM 779 N LYS A 49 7.697 -42.481 -2.321 1.00 0.00 N ATOM 780 CA LYS A 49 9.105 -42.895 -2.224 1.00 0.00 C ATOM 781 C LYS A 49 9.843 -43.019 -3.587 1.00 0.00 C ATOM 782 O LYS A 49 10.910 -42.409 -3.741 1.00 0.00 O ATOM 783 CB LYS A 49 9.189 -44.214 -1.404 1.00 0.00 C ATOM 784 CG LYS A 49 10.191 -44.162 -0.215 1.00 0.00 C ATOM 785 CD LYS A 49 11.073 -45.436 -0.111 1.00 0.00 C ATOM 786 CE LYS A 49 12.438 -45.326 -0.819 1.00 0.00 C ATOM 787 NZ LYS A 49 12.241 -45.031 -2.234 1.00 0.00 N ATOM 0 H LYS A 49 7.041 -43.172 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 49 9.636 -42.094 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.198 -44.453 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.476 -45.026 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.834 -43.289 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.637 -44.033 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.241 -45.662 0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.525 -46.278 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.036 -44.542 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.992 -46.258 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.165 -44.891 -2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.746 -45.825 -2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.672 -44.166 -2.332 1.00 0.00 H new ATOM 801 N ALA A 50 9.326 -43.797 -4.562 1.00 0.00 N ATOM 802 CA ALA A 50 9.808 -43.830 -5.958 1.00 0.00 C ATOM 803 C ALA A 50 9.819 -42.408 -6.571 1.00 0.00 C ATOM 804 O ALA A 50 10.845 -41.980 -7.106 1.00 0.00 O ATOM 805 CB ALA A 50 8.881 -44.801 -6.728 1.00 0.00 C ATOM 0 H ALA A 50 8.546 -44.433 -4.396 1.00 0.00 H new ATOM 0 HA ALA A 50 10.838 -44.181 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.199 -44.859 -7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.936 -45.791 -6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.854 -44.438 -6.682 1.00 0.00 H new ATOM 811 N PHE A 51 8.718 -41.651 -6.396 1.00 0.00 N ATOM 812 CA PHE A 51 8.564 -40.258 -6.838 1.00 0.00 C ATOM 813 C PHE A 51 9.670 -39.333 -6.288 1.00 0.00 C ATOM 814 O PHE A 51 10.308 -38.629 -7.073 1.00 0.00 O ATOM 815 CB PHE A 51 7.167 -39.768 -6.342 1.00 0.00 C ATOM 816 CG PHE A 51 6.605 -38.552 -7.087 1.00 0.00 C ATOM 817 CD1 PHE A 51 7.175 -37.292 -6.996 1.00 0.00 C ATOM 818 CD2 PHE A 51 5.531 -38.697 -7.944 1.00 0.00 C ATOM 819 CE1 PHE A 51 6.716 -36.236 -7.756 1.00 0.00 C ATOM 820 CE2 PHE A 51 5.072 -37.663 -8.705 1.00 0.00 C ATOM 821 CZ PHE A 51 5.664 -36.426 -8.625 1.00 0.00 C ATOM 0 H PHE A 51 7.886 -42.008 -5.927 1.00 0.00 H new ATOM 0 HA PHE A 51 8.646 -40.219 -7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.457 -40.590 -6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.239 -39.524 -5.282 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.998 -37.133 -6.314 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.041 -39.657 -8.013 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.180 -35.264 -7.670 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.239 -37.817 -9.374 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.308 -35.611 -9.237 1.00 0.00 H new ATOM 831 N LYS A 52 9.896 -39.305 -4.963 1.00 0.00 N ATOM 832 CA LYS A 52 10.931 -38.474 -4.341 1.00 0.00 C ATOM 833 C LYS A 52 12.367 -38.878 -4.761 1.00 0.00 C ATOM 834 O LYS A 52 13.206 -37.992 -4.968 1.00 0.00 O ATOM 835 CB LYS A 52 10.741 -38.483 -2.796 1.00 0.00 C ATOM 836 CG LYS A 52 11.622 -37.494 -1.983 1.00 0.00 C ATOM 837 CD LYS A 52 11.260 -35.996 -2.154 1.00 0.00 C ATOM 838 CE LYS A 52 12.256 -35.120 -1.390 1.00 0.00 C ATOM 839 NZ LYS A 52 11.942 -33.714 -1.610 1.00 0.00 N ATOM 0 H LYS A 52 9.362 -39.861 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 52 10.810 -37.454 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.695 -38.265 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.938 -39.492 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.549 -37.751 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.663 -37.636 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.268 -35.731 -3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.250 -35.815 -1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.215 -35.350 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.272 -35.332 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.766 -33.131 -1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.703 -33.564 -2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.132 -33.442 -1.017 1.00 0.00 H new ATOM 853 N ASP A 53 12.677 -40.181 -4.925 1.00 0.00 N ATOM 854 CA ASP A 53 13.973 -40.604 -5.482 1.00 0.00 C ATOM 855 C ASP A 53 14.208 -40.111 -6.926 1.00 0.00 C ATOM 856 O ASP A 53 15.250 -39.519 -7.234 1.00 0.00 O ATOM 857 CB ASP A 53 14.123 -42.145 -5.398 1.00 0.00 C ATOM 858 CG ASP A 53 14.214 -42.674 -3.965 1.00 0.00 C ATOM 859 OD1 ASP A 53 14.598 -41.953 -3.046 1.00 0.00 O ATOM 860 OD2 ASP A 53 13.930 -43.859 -3.785 1.00 0.00 O ATOM 0 H ASP A 53 12.052 -40.950 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 53 14.741 -40.132 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.273 -42.612 -5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.017 -42.445 -5.945 1.00 0.00 H new ATOM 865 N CYS A 54 13.232 -40.344 -7.811 1.00 0.00 N ATOM 866 CA CYS A 54 13.215 -39.727 -9.136 1.00 0.00 C ATOM 867 C CYS A 54 13.169 -38.183 -9.143 1.00 0.00 C ATOM 868 O CYS A 54 13.701 -37.609 -10.091 1.00 0.00 O ATOM 869 CB CYS A 54 12.062 -40.310 -9.949 1.00 0.00 C ATOM 870 SG CYS A 54 12.437 -41.814 -10.890 1.00 0.00 S ATOM 0 H CYS A 54 12.440 -40.960 -7.629 1.00 0.00 H new ATOM 0 HA CYS A 54 14.174 -39.969 -9.594 1.00 0.00 H new ATOM 0 HB2 CYS A 54 11.237 -40.526 -9.270 1.00 0.00 H new ATOM 0 HB3 CYS A 54 11.711 -39.547 -10.645 1.00 0.00 H new ATOM 875 N CYS A 55 12.559 -37.482 -8.168 1.00 0.00 N ATOM 876 CA CYS A 55 12.746 -36.033 -7.969 1.00 0.00 C ATOM 877 C CYS A 55 14.224 -35.652 -7.728 1.00 0.00 C ATOM 878 O CYS A 55 14.699 -34.685 -8.331 1.00 0.00 O ATOM 879 CB CYS A 55 11.853 -35.523 -6.808 1.00 0.00 C ATOM 880 SG CYS A 55 11.971 -33.742 -6.464 1.00 0.00 S ATOM 0 H CYS A 55 11.921 -37.906 -7.495 1.00 0.00 H new ATOM 0 HA CYS A 55 12.441 -35.544 -8.894 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.815 -35.764 -7.037 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.115 -36.070 -5.902 1.00 0.00 H new ATOM 885 N TYR A 56 14.964 -36.388 -6.878 1.00 0.00 N ATOM 886 CA TYR A 56 16.421 -36.226 -6.763 1.00 0.00 C ATOM 887 C TYR A 56 17.182 -36.442 -8.089 1.00 0.00 C ATOM 888 O TYR A 56 18.141 -35.714 -8.358 1.00 0.00 O ATOM 889 CB TYR A 56 17.003 -37.160 -5.669 1.00 0.00 C ATOM 890 CG TYR A 56 16.770 -36.617 -4.252 1.00 0.00 C ATOM 891 CD1 TYR A 56 17.452 -35.505 -3.784 1.00 0.00 C ATOM 892 CD2 TYR A 56 15.916 -37.253 -3.368 1.00 0.00 C ATOM 893 CE1 TYR A 56 17.293 -35.053 -2.489 1.00 0.00 C ATOM 894 CE2 TYR A 56 15.754 -36.811 -2.070 1.00 0.00 C ATOM 895 CZ TYR A 56 16.445 -35.707 -1.633 1.00 0.00 C ATOM 896 OH TYR A 56 16.298 -35.252 -0.363 1.00 0.00 O ATOM 0 H TYR A 56 14.574 -37.101 -6.261 1.00 0.00 H new ATOM 0 HA TYR A 56 16.571 -35.184 -6.479 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.547 -38.146 -5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.073 -37.287 -5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.123 -34.980 -4.447 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.362 -38.118 -3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.837 -34.184 -2.150 1.00 0.00 H new ATOM 0 HE2 TYR A 56 15.086 -37.332 -1.400 1.00 0.00 H new ATOM 0 HH TYR A 56 15.662 -35.822 0.117 1.00 0.00 H new ATOM 906 N ILE A 57 16.824 -37.448 -8.905 1.00 0.00 N ATOM 907 CA ILE A 57 17.330 -37.581 -10.284 1.00 0.00 C ATOM 908 C ILE A 57 16.901 -36.452 -11.244 1.00 0.00 C ATOM 909 O ILE A 57 17.722 -35.973 -12.031 1.00 0.00 O ATOM 910 CB ILE A 57 17.031 -39.013 -10.830 1.00 0.00 C ATOM 911 CG1 ILE A 57 18.052 -40.013 -10.255 1.00 0.00 C ATOM 912 CG2 ILE A 57 17.015 -39.179 -12.373 1.00 0.00 C ATOM 913 CD1 ILE A 57 17.854 -40.407 -8.789 1.00 0.00 C ATOM 0 H ILE A 57 16.179 -38.189 -8.630 1.00 0.00 H new ATOM 0 HA ILE A 57 18.412 -37.454 -10.235 1.00 0.00 H new ATOM 0 HB ILE A 57 16.010 -39.208 -10.502 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.024 -40.919 -10.861 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.049 -39.587 -10.364 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.797 -40.217 -12.625 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.249 -38.533 -12.801 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.989 -38.904 -12.779 1.00 0.00 H new ATOM 0 HD11 ILE A 57 18.630 -41.114 -8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.916 -39.518 -8.162 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.875 -40.870 -8.666 1.00 0.00 H new ATOM 925 N ALA A 58 15.633 -36.032 -11.192 1.00 0.00 N ATOM 926 CA ALA A 58 15.129 -34.852 -11.910 1.00 0.00 C ATOM 927 C ALA A 58 15.910 -33.560 -11.572 1.00 0.00 C ATOM 928 O ALA A 58 16.263 -32.794 -12.472 1.00 0.00 O ATOM 929 CB ALA A 58 13.638 -34.673 -11.609 1.00 0.00 C ATOM 0 H ALA A 58 14.916 -36.507 -10.643 1.00 0.00 H new ATOM 0 HA ALA A 58 15.277 -35.028 -12.975 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.262 -33.799 -12.140 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.092 -35.558 -11.935 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.497 -34.534 -10.537 1.00 0.00 H new ATOM 935 N ASN A 59 16.184 -33.325 -10.277 1.00 0.00 N ATOM 936 CA ASN A 59 17.096 -32.276 -9.806 1.00 0.00 C ATOM 937 C ASN A 59 18.551 -32.463 -10.299 1.00 0.00 C ATOM 938 O ASN A 59 19.186 -31.484 -10.701 1.00 0.00 O ATOM 939 CB ASN A 59 17.004 -32.243 -8.253 1.00 0.00 C ATOM 940 CG ASN A 59 17.901 -31.186 -7.611 1.00 0.00 C ATOM 941 OD1 ASN A 59 18.782 -31.505 -6.825 1.00 0.00 O ATOM 942 ND2 ASN A 59 17.735 -29.907 -7.888 1.00 0.00 N ATOM 0 H ASN A 59 15.770 -33.868 -9.519 1.00 0.00 H new ATOM 0 HA ASN A 59 16.791 -31.318 -10.228 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.970 -32.056 -7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.273 -33.224 -7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 59 18.335 -29.208 -7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.007 -29.617 -8.541 1.00 0.00 H new ATOM 949 N GLN A 60 19.083 -33.696 -10.278 1.00 0.00 N ATOM 950 CA GLN A 60 20.389 -34.029 -10.856 1.00 0.00 C ATOM 951 C GLN A 60 20.478 -33.745 -12.369 1.00 0.00 C ATOM 952 O GLN A 60 21.389 -33.020 -12.772 1.00 0.00 O ATOM 953 CB GLN A 60 20.695 -35.516 -10.556 1.00 0.00 C ATOM 954 CG GLN A 60 22.107 -35.984 -10.992 1.00 0.00 C ATOM 955 CD GLN A 60 22.437 -37.434 -10.622 1.00 0.00 C ATOM 956 OE1 GLN A 60 21.626 -38.206 -10.111 1.00 0.00 O ATOM 957 NE2 GLN A 60 23.671 -37.837 -10.868 1.00 0.00 N ATOM 0 H GLN A 60 18.612 -34.495 -9.854 1.00 0.00 H new ATOM 0 HA GLN A 60 21.135 -33.383 -10.394 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.584 -35.687 -9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.951 -36.135 -11.057 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.197 -35.868 -12.072 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.850 -35.328 -10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 60 24.342 -37.196 -11.292 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.953 -38.789 -10.634 1.00 0.00 H new ATOM 966 N VAL A 61 19.572 -34.270 -13.214 1.00 0.00 N ATOM 967 CA VAL A 61 19.601 -34.025 -14.666 1.00 0.00 C ATOM 968 C VAL A 61 19.265 -32.562 -15.052 1.00 0.00 C ATOM 969 O VAL A 61 19.646 -32.106 -16.132 1.00 0.00 O ATOM 970 CB VAL A 61 18.741 -35.091 -15.424 1.00 0.00 C ATOM 971 CG1 VAL A 61 17.219 -34.869 -15.357 1.00 0.00 C ATOM 972 CG2 VAL A 61 19.176 -35.268 -16.892 1.00 0.00 C ATOM 0 H VAL A 61 18.805 -34.871 -12.912 1.00 0.00 H new ATOM 0 HA VAL A 61 20.632 -34.152 -14.997 1.00 0.00 H new ATOM 0 HB VAL A 61 18.944 -36.010 -14.874 1.00 0.00 H new ATOM 0 HG11 VAL A 61 16.711 -35.658 -15.911 1.00 0.00 H new ATOM 0 HG12 VAL A 61 16.894 -34.889 -14.317 1.00 0.00 H new ATOM 0 HG13 VAL A 61 16.973 -33.902 -15.795 1.00 0.00 H new ATOM 0 HG21 VAL A 61 18.547 -36.019 -17.370 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.073 -34.319 -17.419 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.216 -35.591 -16.927 1.00 0.00 H new ATOM 982 N ARG A 62 18.555 -31.806 -14.195 1.00 0.00 N ATOM 983 CA ARG A 62 18.433 -30.346 -14.314 1.00 0.00 C ATOM 984 C ARG A 62 19.796 -29.623 -14.202 1.00 0.00 C ATOM 985 O ARG A 62 20.088 -28.727 -14.997 1.00 0.00 O ATOM 986 CB ARG A 62 17.467 -29.834 -13.203 1.00 0.00 C ATOM 987 CG ARG A 62 16.354 -28.870 -13.666 1.00 0.00 C ATOM 988 CD ARG A 62 15.258 -29.582 -14.467 1.00 0.00 C ATOM 989 NE ARG A 62 14.111 -28.682 -14.536 1.00 0.00 N ATOM 990 CZ ARG A 62 12.936 -28.970 -15.016 1.00 0.00 C ATOM 991 NH1 ARG A 62 12.620 -30.095 -15.541 1.00 0.00 N ATOM 992 NH2 ARG A 62 12.059 -28.057 -14.922 1.00 0.00 N ATOM 0 H ARG A 62 18.049 -32.194 -13.399 1.00 0.00 H new ATOM 0 HA ARG A 62 18.039 -30.120 -15.305 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.999 -30.697 -12.730 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.059 -29.333 -12.437 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.909 -28.389 -12.795 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.792 -28.081 -14.277 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.613 -29.828 -15.468 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.981 -30.521 -13.987 1.00 0.00 H new ATOM 0 HE ARG A 62 14.243 -27.738 -14.174 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.313 -30.841 -15.604 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.676 -30.245 -15.896 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.297 -27.164 -14.490 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.117 -28.216 -15.278 1.00 0.00 H new ATOM 1006 N ALA A 63 20.631 -30.005 -13.223 1.00 0.00 N ATOM 1007 CA ALA A 63 21.969 -29.441 -13.036 1.00 0.00 C ATOM 1008 C ALA A 63 23.060 -30.110 -13.902 1.00 0.00 C ATOM 1009 O ALA A 63 23.757 -29.423 -14.653 1.00 0.00 O ATOM 1010 CB ALA A 63 22.314 -29.532 -11.535 1.00 0.00 C ATOM 0 H ALA A 63 20.391 -30.720 -12.536 1.00 0.00 H new ATOM 0 HA ALA A 63 21.950 -28.404 -13.372 1.00 0.00 H new ATOM 0 HB1 ALA A 63 23.308 -29.118 -11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 63 21.582 -28.967 -10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 63 22.296 -30.575 -11.220 1.00 0.00 H new ATOM 1016 N GLU A 64 23.215 -31.442 -13.850 1.00 0.00 N ATOM 1017 CA GLU A 64 24.281 -32.170 -14.551 1.00 0.00 C ATOM 1018 C GLU A 64 23.953 -32.408 -16.045 1.00 0.00 C ATOM 1019 O GLU A 64 23.694 -33.518 -16.514 1.00 0.00 O ATOM 1020 CB GLU A 64 24.569 -33.491 -13.781 1.00 0.00 C ATOM 1021 CG GLU A 64 25.264 -33.254 -12.398 1.00 0.00 C ATOM 1022 CD GLU A 64 25.294 -34.483 -11.479 1.00 0.00 C ATOM 1023 OE1 GLU A 64 25.470 -35.614 -11.936 1.00 0.00 O ATOM 1024 OE2 GLU A 64 25.103 -34.291 -10.281 1.00 0.00 O ATOM 0 H GLU A 64 22.596 -32.050 -13.314 1.00 0.00 H new ATOM 0 HA GLU A 64 25.185 -31.561 -14.559 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.632 -34.025 -13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 64 25.202 -34.132 -14.394 1.00 0.00 H new ATOM 0 HG2 GLU A 64 26.287 -32.922 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 64 24.750 -32.443 -11.882 1.00 0.00 H new ATOM 1031 N GLN A 65 23.936 -31.302 -16.793 1.00 0.00 N ATOM 1032 CA GLN A 65 23.749 -31.315 -18.246 1.00 0.00 C ATOM 1033 C GLN A 65 25.071 -31.396 -19.043 1.00 0.00 C ATOM 1034 O GLN A 65 25.997 -30.626 -18.777 1.00 0.00 O ATOM 1035 CB GLN A 65 22.925 -30.061 -18.661 1.00 0.00 C ATOM 1036 CG GLN A 65 21.461 -30.079 -18.136 1.00 0.00 C ATOM 1037 CD GLN A 65 20.700 -28.811 -18.534 1.00 0.00 C ATOM 1038 OE1 GLN A 65 20.566 -28.471 -19.703 1.00 0.00 O ATOM 1039 NE2 GLN A 65 20.156 -28.054 -17.601 1.00 0.00 N ATOM 0 H GLN A 65 24.052 -30.366 -16.405 1.00 0.00 H new ATOM 0 HA GLN A 65 23.206 -32.226 -18.497 1.00 0.00 H new ATOM 0 HB2 GLN A 65 23.425 -29.167 -18.288 1.00 0.00 H new ATOM 0 HB3 GLN A 65 22.912 -29.988 -19.748 1.00 0.00 H new ATOM 0 HG2 GLN A 65 20.943 -30.953 -18.531 1.00 0.00 H new ATOM 0 HG3 GLN A 65 21.465 -30.175 -17.050 1.00 0.00 H new ATOM 0 HE21 GLN A 65 20.250 -28.310 -16.618 1.00 0.00 H new ATOM 0 HE22 GLN A 65 19.642 -27.213 -17.862 1.00 0.00 H new ATOM 1048 N SER A 66 25.154 -32.236 -19.938 1.00 0.00 N TER 1049 SER A 66