USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 714 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 2 SER OG : rot -98:sc= -0.154 USER MOD Set 1.2: A 4 THR OG1 : rot 19:sc= -0.153 USER MOD Set 1.3: A 76 HIS : no HD1:sc= -0.131 X(o=-0.46,f=-0.49) USER MOD Set 1.4: A 82 ASN : amide:sc= -0.0198 K(o=-0.46,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.0508 (180deg=-0.13) USER MOD Single : A 3 LYS NZ :NH3+ 151:sc= 0.181 (180deg=-1.33!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.092 K(o=-0.092,f=-2.4!) USER MOD Single : A 9 ASN : amide:sc= -2.75 K(o=-2.7,f=-0.48) USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= -0.301 (180deg=-0.988) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 0.106 (180deg=-0.248) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 166:sc= -0.0897 (180deg=-0.494) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -175:sc= -0.312 (180deg=-0.367) USER MOD Single : A 28 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.055) USER MOD Single : A 34 GLN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0802 X(o=-0.08,f=-0.48) USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.029) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.728 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.159 K(o=0.16,f=-3.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.53! K(o=-1.5!,f=-0.25) USER MOD Single : A 68 LYS NZ :NH3+ 139:sc= 0.374 (180deg=0.000647) USER MOD Single : A 69 HIS : no HE2:sc= 0.299 K(o=0.3,f=-1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.263 3.757 -8.288 1.00 0.00 N ATOM 2 CA MET A 1 -1.292 2.627 -8.296 1.00 0.00 C ATOM 3 C MET A 1 0.108 3.073 -7.817 1.00 0.00 C ATOM 4 O MET A 1 0.923 2.230 -7.420 1.00 0.00 O ATOM 5 CB MET A 1 -1.191 1.987 -9.713 1.00 0.00 C ATOM 6 CG MET A 1 -2.532 1.505 -10.289 1.00 0.00 C ATOM 7 SD MET A 1 -3.388 0.338 -9.206 1.00 0.00 S ATOM 8 CE MET A 1 -4.886 0.002 -10.139 1.00 0.00 C ATOM 0 H1 MET A 1 -3.210 3.403 -8.533 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.289 4.186 -7.341 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.970 4.472 -8.984 1.00 0.00 H new ATOM 0 HA MET A 1 -1.667 1.879 -7.598 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.756 2.716 -10.397 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.504 1.142 -9.669 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.176 2.367 -10.466 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.357 1.033 -11.256 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.507 -0.704 -9.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.437 0.930 -10.289 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.624 -0.425 -11.107 1.00 0.00 H new ATOM 18 N SER A 2 0.384 4.393 -7.855 1.00 0.00 N ATOM 19 CA SER A 2 1.704 4.951 -7.500 1.00 0.00 C ATOM 20 C SER A 2 1.563 6.236 -6.670 1.00 0.00 C ATOM 21 O SER A 2 0.802 7.134 -7.021 1.00 0.00 O ATOM 22 CB SER A 2 2.531 5.245 -8.775 1.00 0.00 C ATOM 23 OG SER A 2 3.806 5.784 -8.449 1.00 0.00 O ATOM 0 H SER A 2 -0.299 5.099 -8.131 1.00 0.00 H new ATOM 0 HA SER A 2 2.223 4.205 -6.898 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.657 4.327 -9.349 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.989 5.946 -9.410 1.00 0.00 H new ATOM 0 HG SER A 2 3.782 6.759 -8.540 1.00 0.00 H new ATOM 29 N LYS A 3 2.307 6.293 -5.561 1.00 0.00 N ATOM 30 CA LYS A 3 2.494 7.501 -4.743 1.00 0.00 C ATOM 31 C LYS A 3 4.006 7.655 -4.485 1.00 0.00 C ATOM 32 O LYS A 3 4.440 7.867 -3.349 1.00 0.00 O ATOM 33 CB LYS A 3 1.682 7.395 -3.410 1.00 0.00 C ATOM 34 CG LYS A 3 0.118 7.420 -3.531 1.00 0.00 C ATOM 35 CD LYS A 3 -0.503 8.855 -3.633 1.00 0.00 C ATOM 36 CE LYS A 3 -0.424 9.500 -5.036 1.00 0.00 C ATOM 37 NZ LYS A 3 -1.307 8.829 -6.020 1.00 0.00 N ATOM 0 H LYS A 3 2.809 5.483 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 3 2.120 8.384 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.969 6.470 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.986 8.216 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.175 6.848 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.309 6.914 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.549 8.805 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.004 9.506 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.699 10.552 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.606 9.463 -5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.608 9.515 -6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.789 8.051 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.144 8.449 -5.533 1.00 0.00 H new ATOM 51 N THR A 4 4.792 7.537 -5.580 1.00 0.00 N ATOM 52 CA THR A 4 6.270 7.646 -5.552 1.00 0.00 C ATOM 53 C THR A 4 6.740 9.002 -4.970 1.00 0.00 C ATOM 54 O THR A 4 6.059 10.026 -5.125 1.00 0.00 O ATOM 55 CB THR A 4 6.876 7.413 -6.985 1.00 0.00 C ATOM 56 OG1 THR A 4 6.089 8.103 -7.979 1.00 0.00 O ATOM 57 CG2 THR A 4 6.953 5.916 -7.343 1.00 0.00 C ATOM 0 H THR A 4 4.417 7.363 -6.513 1.00 0.00 H new ATOM 0 HA THR A 4 6.639 6.863 -4.889 1.00 0.00 H new ATOM 0 HB THR A 4 7.891 7.811 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.547 8.795 -7.545 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.377 5.802 -8.341 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.584 5.401 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.952 5.485 -7.323 1.00 0.00 H new ATOM 65 N ALA A 5 7.907 8.982 -4.300 1.00 0.00 N ATOM 66 CA ALA A 5 8.412 10.124 -3.511 1.00 0.00 C ATOM 67 C ALA A 5 9.338 11.056 -4.316 1.00 0.00 C ATOM 68 O ALA A 5 9.757 12.092 -3.790 1.00 0.00 O ATOM 69 CB ALA A 5 9.125 9.609 -2.253 1.00 0.00 C ATOM 0 H ALA A 5 8.528 8.173 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 5 7.548 10.725 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.496 10.454 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.425 9.034 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.961 8.973 -2.543 1.00 0.00 H new ATOM 75 N LYS A 6 9.656 10.699 -5.581 1.00 0.00 N ATOM 76 CA LYS A 6 10.531 11.524 -6.455 1.00 0.00 C ATOM 77 C LYS A 6 9.715 12.701 -7.057 1.00 0.00 C ATOM 78 O LYS A 6 9.478 12.780 -8.270 1.00 0.00 O ATOM 79 CB LYS A 6 11.164 10.625 -7.564 1.00 0.00 C ATOM 80 CG LYS A 6 12.312 11.282 -8.377 1.00 0.00 C ATOM 81 CD LYS A 6 12.876 10.357 -9.490 1.00 0.00 C ATOM 82 CE LYS A 6 13.472 9.044 -8.949 1.00 0.00 C ATOM 83 NZ LYS A 6 14.030 8.189 -10.030 1.00 0.00 N ATOM 0 H LYS A 6 9.320 9.843 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 6 11.345 11.952 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.545 9.716 -7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.378 10.323 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.947 12.204 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.119 11.557 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.079 10.122 -10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.645 10.895 -10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.257 9.274 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.700 8.491 -8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.419 7.317 -9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.276 7.946 -10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.785 8.705 -10.526 1.00 0.00 H new ATOM 97 N LEU A 7 9.262 13.605 -6.172 1.00 0.00 N ATOM 98 CA LEU A 7 8.336 14.709 -6.506 1.00 0.00 C ATOM 99 C LEU A 7 9.145 16.025 -6.661 1.00 0.00 C ATOM 100 O LEU A 7 8.645 17.129 -6.387 1.00 0.00 O ATOM 101 CB LEU A 7 7.269 14.824 -5.369 1.00 0.00 C ATOM 102 CG LEU A 7 5.965 15.619 -5.710 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.043 14.797 -6.635 1.00 0.00 C ATOM 104 CD2 LEU A 7 5.219 16.080 -4.434 1.00 0.00 C ATOM 0 H LEU A 7 9.531 13.592 -5.188 1.00 0.00 H new ATOM 0 HA LEU A 7 7.823 14.516 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.984 13.816 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.740 15.296 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 7 6.263 16.520 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.144 15.372 -6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.567 14.571 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.766 13.867 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.320 16.628 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.942 15.209 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.869 16.728 -3.846 1.00 0.00 H new ATOM 116 N ASN A 8 10.403 15.875 -7.121 1.00 0.00 N ATOM 117 CA ASN A 8 11.380 16.973 -7.229 1.00 0.00 C ATOM 118 C ASN A 8 10.876 18.057 -8.210 1.00 0.00 C ATOM 119 O ASN A 8 10.557 17.748 -9.369 1.00 0.00 O ATOM 120 CB ASN A 8 12.766 16.426 -7.688 1.00 0.00 C ATOM 121 CG ASN A 8 13.419 15.423 -6.721 1.00 0.00 C ATOM 122 OD1 ASN A 8 12.741 14.636 -6.054 1.00 0.00 O ATOM 123 ND2 ASN A 8 14.751 15.438 -6.646 1.00 0.00 N ATOM 0 H ASN A 8 10.772 14.976 -7.431 1.00 0.00 H new ATOM 0 HA ASN A 8 11.495 17.427 -6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.647 15.947 -8.660 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.444 17.268 -7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.234 14.788 -6.026 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.286 16.099 -7.209 1.00 0.00 H new ATOM 130 N ASN A 9 10.800 19.305 -7.703 1.00 0.00 N ATOM 131 CA ASN A 9 10.283 20.487 -8.418 1.00 0.00 C ATOM 132 C ASN A 9 8.789 20.284 -8.742 1.00 0.00 C ATOM 133 O ASN A 9 8.419 20.017 -9.897 1.00 0.00 O ATOM 134 CB ASN A 9 11.138 20.819 -9.685 1.00 0.00 C ATOM 135 CG ASN A 9 10.980 22.243 -10.253 1.00 0.00 C ATOM 136 OD1 ASN A 9 11.926 22.782 -10.826 1.00 0.00 O ATOM 137 ND2 ASN A 9 9.802 22.858 -10.159 1.00 0.00 N ATOM 0 H ASN A 9 11.107 19.523 -6.755 1.00 0.00 H new ATOM 0 HA ASN A 9 10.370 21.359 -7.770 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.189 20.661 -9.441 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.882 20.106 -10.469 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.677 23.786 -10.564 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.025 22.401 -9.682 1.00 0.00 H new ATOM 144 N GLU A 10 7.959 20.427 -7.689 1.00 0.00 N ATOM 145 CA GLU A 10 6.496 20.229 -7.727 1.00 0.00 C ATOM 146 C GLU A 10 5.825 21.021 -8.866 1.00 0.00 C ATOM 147 O GLU A 10 4.951 20.489 -9.552 1.00 0.00 O ATOM 148 CB GLU A 10 5.895 20.624 -6.346 1.00 0.00 C ATOM 149 CG GLU A 10 4.374 20.391 -6.199 1.00 0.00 C ATOM 150 CD GLU A 10 3.866 20.541 -4.753 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.923 19.553 -3.984 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.439 21.649 -4.367 1.00 0.00 O ATOM 0 H GLU A 10 8.297 20.691 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 10 6.298 19.176 -7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.410 20.059 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.104 21.678 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.843 21.097 -6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.131 19.391 -6.559 1.00 0.00 H new ATOM 159 N GLU A 11 6.304 22.267 -9.076 1.00 0.00 N ATOM 160 CA GLU A 11 5.807 23.215 -10.108 1.00 0.00 C ATOM 161 C GLU A 11 5.619 22.571 -11.495 1.00 0.00 C ATOM 162 O GLU A 11 4.587 22.780 -12.131 1.00 0.00 O ATOM 163 CB GLU A 11 6.776 24.432 -10.209 1.00 0.00 C ATOM 164 CG GLU A 11 6.572 25.526 -9.130 1.00 0.00 C ATOM 165 CD GLU A 11 6.553 25.022 -7.669 1.00 0.00 C ATOM 166 OE1 GLU A 11 7.550 24.405 -7.234 1.00 0.00 O ATOM 167 OE2 GLU A 11 5.546 25.252 -6.956 1.00 0.00 O ATOM 0 H GLU A 11 7.066 22.655 -8.520 1.00 0.00 H new ATOM 0 HA GLU A 11 4.818 23.541 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.801 24.067 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.661 24.888 -11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.367 26.265 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.632 26.040 -9.331 1.00 0.00 H new ATOM 174 N LYS A 12 6.617 21.790 -11.938 1.00 0.00 N ATOM 175 CA LYS A 12 6.578 21.098 -13.253 1.00 0.00 C ATOM 176 C LYS A 12 5.387 20.125 -13.340 1.00 0.00 C ATOM 177 O LYS A 12 4.652 20.105 -14.341 1.00 0.00 O ATOM 178 CB LYS A 12 7.888 20.315 -13.507 1.00 0.00 C ATOM 179 CG LYS A 12 9.172 21.168 -13.440 1.00 0.00 C ATOM 180 CD LYS A 12 10.448 20.372 -13.805 1.00 0.00 C ATOM 181 CE LYS A 12 10.616 19.091 -12.970 1.00 0.00 C ATOM 182 NZ LYS A 12 11.843 18.352 -13.341 1.00 0.00 N ATOM 0 H LYS A 12 7.470 21.616 -11.406 1.00 0.00 H new ATOM 0 HA LYS A 12 6.464 21.869 -14.015 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.963 19.512 -12.774 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.830 19.846 -14.489 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.074 22.016 -14.118 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.279 21.574 -12.434 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.415 20.108 -14.862 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.321 21.009 -13.662 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.653 19.349 -11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.747 18.448 -13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.754 17.360 -13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.975 18.393 -14.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.664 18.783 -12.870 1.00 0.00 H new ATOM 196 N LEU A 13 5.208 19.331 -12.269 1.00 0.00 N ATOM 197 CA LEU A 13 4.131 18.326 -12.186 1.00 0.00 C ATOM 198 C LEU A 13 2.745 19.002 -12.175 1.00 0.00 C ATOM 199 O LEU A 13 1.786 18.504 -12.781 1.00 0.00 O ATOM 200 CB LEU A 13 4.308 17.423 -10.935 1.00 0.00 C ATOM 201 CG LEU A 13 5.605 16.528 -10.916 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.806 17.226 -10.246 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.342 15.144 -10.293 1.00 0.00 C ATOM 0 H LEU A 13 5.802 19.367 -11.441 1.00 0.00 H new ATOM 0 HA LEU A 13 4.195 17.695 -13.073 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.314 18.058 -10.049 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.438 16.771 -10.854 1.00 0.00 H new ATOM 0 HG LEU A 13 5.877 16.374 -11.960 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.669 16.561 -10.263 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.043 18.142 -10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.556 17.469 -9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.263 14.561 -10.300 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.998 15.267 -9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.578 14.624 -10.871 1.00 0.00 H new ATOM 215 N VAL A 14 2.671 20.152 -11.495 1.00 0.00 N ATOM 216 CA VAL A 14 1.469 21.001 -11.448 1.00 0.00 C ATOM 217 C VAL A 14 1.081 21.471 -12.855 1.00 0.00 C ATOM 218 O VAL A 14 -0.080 21.366 -13.242 1.00 0.00 O ATOM 219 CB VAL A 14 1.705 22.243 -10.518 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.490 23.213 -10.489 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.084 21.770 -9.106 1.00 0.00 C ATOM 0 H VAL A 14 3.451 20.526 -10.955 1.00 0.00 H new ATOM 0 HA VAL A 14 0.653 20.405 -11.040 1.00 0.00 H new ATOM 0 HB VAL A 14 2.532 22.817 -10.935 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.710 24.053 -9.830 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.296 23.583 -11.496 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.389 22.684 -10.121 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.247 22.636 -8.464 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.277 21.162 -8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.997 21.177 -9.154 1.00 0.00 H new ATOM 231 N LYS A 15 2.082 21.956 -13.616 1.00 0.00 N ATOM 232 CA LYS A 15 1.890 22.447 -14.993 1.00 0.00 C ATOM 233 C LYS A 15 1.418 21.316 -15.930 1.00 0.00 C ATOM 234 O LYS A 15 0.582 21.545 -16.810 1.00 0.00 O ATOM 235 CB LYS A 15 3.196 23.089 -15.522 1.00 0.00 C ATOM 236 CG LYS A 15 3.636 24.341 -14.729 1.00 0.00 C ATOM 237 CD LYS A 15 4.997 24.900 -15.196 1.00 0.00 C ATOM 238 CE LYS A 15 5.472 26.088 -14.338 1.00 0.00 C ATOM 239 NZ LYS A 15 6.794 26.598 -14.781 1.00 0.00 N ATOM 0 H LYS A 15 3.047 22.018 -13.292 1.00 0.00 H new ATOM 0 HA LYS A 15 1.110 23.208 -14.975 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.995 22.348 -15.488 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.059 23.362 -16.568 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.876 25.116 -14.832 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.696 24.092 -13.670 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.744 24.107 -15.158 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.919 25.216 -16.236 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.737 26.891 -14.391 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.533 25.780 -13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.078 27.397 -14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.502 25.839 -14.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.730 26.916 -15.769 1.00 0.00 H new ATOM 253 N LYS A 16 1.929 20.092 -15.700 1.00 0.00 N ATOM 254 CA LYS A 16 1.508 18.896 -16.459 1.00 0.00 C ATOM 255 C LYS A 16 0.088 18.469 -16.062 1.00 0.00 C ATOM 256 O LYS A 16 -0.640 17.907 -16.865 1.00 0.00 O ATOM 257 CB LYS A 16 2.495 17.727 -16.250 1.00 0.00 C ATOM 258 CG LYS A 16 2.307 16.516 -17.211 1.00 0.00 C ATOM 259 CD LYS A 16 2.518 16.888 -18.701 1.00 0.00 C ATOM 260 CE LYS A 16 3.970 17.310 -19.020 1.00 0.00 C ATOM 261 NZ LYS A 16 4.097 17.888 -20.384 1.00 0.00 N ATOM 0 H LYS A 16 2.638 19.903 -14.991 1.00 0.00 H new ATOM 0 HA LYS A 16 1.509 19.159 -17.517 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.511 18.106 -16.364 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.401 17.373 -15.223 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.008 15.728 -16.936 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.304 16.109 -17.082 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.249 16.035 -19.324 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.843 17.702 -18.965 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.305 18.041 -18.284 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.627 16.445 -18.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.048 17.693 -20.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.385 17.460 -21.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.947 18.916 -20.341 1.00 0.00 H new ATOM 275 N ALA A 17 -0.294 18.763 -14.815 1.00 0.00 N ATOM 276 CA ALA A 17 -1.656 18.517 -14.321 1.00 0.00 C ATOM 277 C ALA A 17 -2.621 19.567 -14.898 1.00 0.00 C ATOM 278 O ALA A 17 -3.808 19.302 -15.041 1.00 0.00 O ATOM 279 CB ALA A 17 -1.683 18.504 -12.788 1.00 0.00 C ATOM 0 H ALA A 17 0.328 19.177 -14.121 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.985 17.534 -14.658 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.701 18.320 -12.444 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.027 17.715 -12.419 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.340 19.467 -12.410 1.00 0.00 H new ATOM 285 N LEU A 18 -2.089 20.764 -15.247 1.00 0.00 N ATOM 286 CA LEU A 18 -2.869 21.805 -15.949 1.00 0.00 C ATOM 287 C LEU A 18 -3.110 21.373 -17.404 1.00 0.00 C ATOM 288 O LEU A 18 -4.182 21.613 -17.961 1.00 0.00 O ATOM 289 CB LEU A 18 -2.163 23.197 -15.915 1.00 0.00 C ATOM 290 CG LEU A 18 -1.696 23.712 -14.514 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.091 25.128 -14.587 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.815 23.633 -13.461 1.00 0.00 C ATOM 0 H LEU A 18 -1.123 21.029 -15.053 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.821 21.913 -15.429 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.292 23.153 -16.569 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.844 23.935 -16.339 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.903 23.038 -14.190 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.781 25.443 -13.591 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.226 25.120 -15.250 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.837 25.823 -14.972 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.442 24.002 -12.505 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.659 24.244 -13.781 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.137 22.598 -13.350 1.00 0.00 H new ATOM 304 N GLU A 19 -2.080 20.736 -18.006 1.00 0.00 N ATOM 305 CA GLU A 19 -2.149 20.208 -19.383 1.00 0.00 C ATOM 306 C GLU A 19 -3.154 19.045 -19.485 1.00 0.00 C ATOM 307 O GLU A 19 -4.153 19.136 -20.211 1.00 0.00 O ATOM 308 CB GLU A 19 -0.740 19.743 -19.847 1.00 0.00 C ATOM 309 CG GLU A 19 0.316 20.865 -19.938 1.00 0.00 C ATOM 310 CD GLU A 19 1.727 20.350 -20.276 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.935 19.841 -21.404 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.627 20.415 -19.412 1.00 0.00 O ATOM 0 H GLU A 19 -1.182 20.575 -17.551 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.495 21.009 -20.036 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.380 18.980 -19.157 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.833 19.271 -20.825 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.008 21.583 -20.698 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.350 21.400 -18.989 1.00 0.00 H new ATOM 319 N ILE A 20 -2.875 17.970 -18.727 1.00 0.00 N ATOM 320 CA ILE A 20 -3.673 16.738 -18.732 1.00 0.00 C ATOM 321 C ILE A 20 -5.055 17.009 -18.127 1.00 0.00 C ATOM 322 O ILE A 20 -6.051 16.765 -18.776 1.00 0.00 O ATOM 323 CB ILE A 20 -2.950 15.559 -17.964 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.495 15.336 -18.509 1.00 0.00 C ATOM 325 CG2 ILE A 20 -3.772 14.243 -18.037 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.397 14.963 -19.981 1.00 0.00 C ATOM 0 H ILE A 20 -2.080 17.935 -18.088 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.789 16.420 -19.768 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.879 15.850 -16.916 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.920 16.247 -18.344 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.022 14.550 -17.921 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.245 13.455 -17.499 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.751 14.400 -17.584 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.897 13.950 -19.079 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.350 14.832 -20.254 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.937 14.033 -20.157 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.834 15.757 -20.587 1.00 0.00 H new ATOM 338 N GLY A 21 -5.091 17.574 -16.909 1.00 0.00 N ATOM 339 CA GLY A 21 -6.354 17.872 -16.214 1.00 0.00 C ATOM 340 C GLY A 21 -7.213 18.893 -16.961 1.00 0.00 C ATOM 341 O GLY A 21 -8.446 18.816 -16.922 1.00 0.00 O ATOM 0 H GLY A 21 -4.256 17.834 -16.384 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.921 16.950 -16.088 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.134 18.250 -15.216 1.00 0.00 H new ATOM 345 N GLY A 22 -6.545 19.849 -17.644 1.00 0.00 N ATOM 346 CA GLY A 22 -7.233 20.839 -18.477 1.00 0.00 C ATOM 347 C GLY A 22 -7.968 20.208 -19.660 1.00 0.00 C ATOM 348 O GLY A 22 -9.187 20.411 -19.823 1.00 0.00 O ATOM 0 H GLY A 22 -5.530 19.949 -17.630 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.946 21.391 -17.864 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.507 21.562 -18.850 1.00 0.00 H new ATOM 352 N LYS A 23 -7.232 19.410 -20.469 1.00 0.00 N ATOM 353 CA LYS A 23 -7.805 18.747 -21.665 1.00 0.00 C ATOM 354 C LYS A 23 -8.833 17.672 -21.259 1.00 0.00 C ATOM 355 O LYS A 23 -9.821 17.471 -21.958 1.00 0.00 O ATOM 356 CB LYS A 23 -6.706 18.106 -22.562 1.00 0.00 C ATOM 357 CG LYS A 23 -5.939 16.928 -21.912 1.00 0.00 C ATOM 358 CD LYS A 23 -5.200 16.041 -22.930 1.00 0.00 C ATOM 359 CE LYS A 23 -4.547 14.814 -22.267 1.00 0.00 C ATOM 360 NZ LYS A 23 -3.790 13.978 -23.235 1.00 0.00 N ATOM 0 H LYS A 23 -6.244 19.210 -20.316 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.304 19.524 -22.244 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.169 17.754 -23.484 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.989 18.878 -22.840 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.218 17.324 -21.197 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.642 16.314 -21.349 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.901 15.708 -23.695 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.434 16.630 -23.434 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.875 15.147 -21.477 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.319 14.207 -21.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.371 13.166 -22.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.434 13.636 -23.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.035 14.547 -23.668 1.00 0.00 H new ATOM 374 N MET A 24 -8.578 16.993 -20.120 1.00 0.00 N ATOM 375 CA MET A 24 -9.464 15.946 -19.573 1.00 0.00 C ATOM 376 C MET A 24 -10.834 16.538 -19.251 1.00 0.00 C ATOM 377 O MET A 24 -11.848 16.012 -19.701 1.00 0.00 O ATOM 378 CB MET A 24 -8.855 15.282 -18.306 1.00 0.00 C ATOM 379 CG MET A 24 -7.776 14.229 -18.574 1.00 0.00 C ATOM 380 SD MET A 24 -7.031 13.580 -17.056 1.00 0.00 S ATOM 381 CE MET A 24 -8.450 12.961 -16.153 1.00 0.00 C ATOM 0 H MET A 24 -7.747 17.158 -19.552 1.00 0.00 H new ATOM 0 HA MET A 24 -9.573 15.171 -20.332 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.429 16.063 -17.676 1.00 0.00 H new ATOM 0 HB3 MET A 24 -9.660 14.817 -17.737 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.212 13.405 -19.140 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.996 14.666 -19.197 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.112 12.325 -15.335 1.00 0.00 H new ATOM 0 HE2 MET A 24 -9.018 13.799 -15.750 1.00 0.00 H new ATOM 0 HE3 MET A 24 -9.084 12.382 -16.824 1.00 0.00 H new ATOM 391 N ALA A 25 -10.825 17.661 -18.502 1.00 0.00 N ATOM 392 CA ALA A 25 -12.037 18.420 -18.154 1.00 0.00 C ATOM 393 C ALA A 25 -12.811 18.812 -19.400 1.00 0.00 C ATOM 394 O ALA A 25 -14.016 18.559 -19.503 1.00 0.00 O ATOM 395 CB ALA A 25 -11.673 19.671 -17.348 1.00 0.00 C ATOM 0 H ALA A 25 -9.970 18.066 -18.121 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.671 17.777 -17.543 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.581 20.220 -17.099 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.164 19.377 -16.430 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.015 20.307 -17.940 1.00 0.00 H new ATOM 401 N LYS A 26 -12.076 19.388 -20.352 1.00 0.00 N ATOM 402 CA LYS A 26 -12.615 19.861 -21.621 1.00 0.00 C ATOM 403 C LYS A 26 -13.430 18.748 -22.322 1.00 0.00 C ATOM 404 O LYS A 26 -14.630 18.935 -22.591 1.00 0.00 O ATOM 405 CB LYS A 26 -11.451 20.394 -22.487 1.00 0.00 C ATOM 406 CG LYS A 26 -11.860 21.084 -23.805 1.00 0.00 C ATOM 407 CD LYS A 26 -10.649 21.732 -24.531 1.00 0.00 C ATOM 408 CE LYS A 26 -9.513 20.729 -24.820 1.00 0.00 C ATOM 409 NZ LYS A 26 -8.358 21.368 -25.498 1.00 0.00 N ATOM 0 H LYS A 26 -11.072 19.540 -20.258 1.00 0.00 H new ATOM 0 HA LYS A 26 -13.314 20.680 -21.454 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.874 21.102 -21.892 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.788 19.562 -22.724 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.328 20.354 -24.465 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.607 21.849 -23.595 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.987 22.170 -25.470 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.260 22.547 -23.921 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.180 20.281 -23.884 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.895 19.920 -25.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.620 20.656 -25.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.668 21.773 -26.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.975 22.123 -24.894 1.00 0.00 H new ATOM 423 N MET A 27 -12.792 17.566 -22.465 1.00 0.00 N ATOM 424 CA MET A 27 -13.399 16.353 -23.067 1.00 0.00 C ATOM 425 C MET A 27 -14.586 15.801 -22.235 1.00 0.00 C ATOM 426 O MET A 27 -15.545 15.258 -22.808 1.00 0.00 O ATOM 427 CB MET A 27 -12.319 15.252 -23.239 1.00 0.00 C ATOM 428 CG MET A 27 -11.187 15.626 -24.212 1.00 0.00 C ATOM 429 SD MET A 27 -9.978 14.304 -24.468 1.00 0.00 S ATOM 430 CE MET A 27 -9.294 14.067 -22.827 1.00 0.00 C ATOM 0 H MET A 27 -11.828 17.423 -22.162 1.00 0.00 H new ATOM 0 HA MET A 27 -13.796 16.643 -24.040 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.886 15.028 -22.264 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.799 14.339 -23.592 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.622 15.899 -25.173 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.672 16.509 -23.833 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.480 13.344 -22.873 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.915 15.017 -22.450 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.071 13.696 -22.159 1.00 0.00 H new ATOM 440 N GLN A 28 -14.512 15.935 -20.890 1.00 0.00 N ATOM 441 CA GLN A 28 -15.598 15.512 -19.970 1.00 0.00 C ATOM 442 C GLN A 28 -16.847 16.407 -20.144 1.00 0.00 C ATOM 443 O GLN A 28 -17.967 15.979 -19.849 1.00 0.00 O ATOM 444 CB GLN A 28 -15.126 15.539 -18.485 1.00 0.00 C ATOM 445 CG GLN A 28 -14.064 14.489 -18.099 1.00 0.00 C ATOM 446 CD GLN A 28 -14.536 13.043 -18.268 1.00 0.00 C ATOM 447 OE1 GLN A 28 -14.364 12.437 -19.329 1.00 0.00 O ATOM 448 NE2 GLN A 28 -15.134 12.478 -17.226 1.00 0.00 N ATOM 0 H GLN A 28 -13.705 16.336 -20.413 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.862 14.486 -20.227 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.726 16.529 -18.269 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.997 15.400 -17.844 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.174 14.645 -18.709 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.771 14.647 -17.061 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.261 13.006 -16.363 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.466 11.516 -17.289 1.00 0.00 H new ATOM 457 N GLY A 29 -16.631 17.644 -20.618 1.00 0.00 N ATOM 458 CA GLY A 29 -17.720 18.591 -20.914 1.00 0.00 C ATOM 459 C GLY A 29 -17.510 19.930 -20.239 1.00 0.00 C ATOM 460 O GLY A 29 -18.469 20.584 -19.821 1.00 0.00 O ATOM 0 H GLY A 29 -15.700 18.016 -20.807 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.791 18.736 -21.992 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.669 18.165 -20.587 1.00 0.00 H new ATOM 464 N PHE A 30 -16.240 20.353 -20.155 1.00 0.00 N ATOM 465 CA PHE A 30 -15.832 21.587 -19.432 1.00 0.00 C ATOM 466 C PHE A 30 -14.891 22.405 -20.332 1.00 0.00 C ATOM 467 O PHE A 30 -14.795 22.135 -21.536 1.00 0.00 O ATOM 468 CB PHE A 30 -15.123 21.236 -18.084 1.00 0.00 C ATOM 469 CG PHE A 30 -15.954 20.445 -17.064 1.00 0.00 C ATOM 470 CD1 PHE A 30 -16.735 21.099 -16.108 1.00 0.00 C ATOM 471 CD2 PHE A 30 -15.944 19.047 -17.048 1.00 0.00 C ATOM 472 CE1 PHE A 30 -17.471 20.385 -15.182 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.682 18.337 -16.123 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.447 19.006 -15.189 1.00 0.00 C ATOM 0 H PHE A 30 -15.459 19.855 -20.584 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.720 22.173 -19.197 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.223 20.664 -18.310 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.800 22.166 -17.615 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.764 22.179 -16.093 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.348 18.513 -17.773 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.068 20.909 -14.450 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.661 17.257 -16.130 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.025 18.451 -14.465 1.00 0.00 H new ATOM 484 N ASP A 31 -14.239 23.430 -19.755 1.00 0.00 N ATOM 485 CA ASP A 31 -13.153 24.186 -20.408 1.00 0.00 C ATOM 486 C ASP A 31 -12.329 24.937 -19.342 1.00 0.00 C ATOM 487 O ASP A 31 -12.735 25.991 -18.838 1.00 0.00 O ATOM 488 CB ASP A 31 -13.689 25.150 -21.524 1.00 0.00 C ATOM 489 CG ASP A 31 -14.708 26.214 -21.046 1.00 0.00 C ATOM 490 OD1 ASP A 31 -15.701 25.847 -20.379 1.00 0.00 O ATOM 491 OD2 ASP A 31 -14.527 27.416 -21.343 1.00 0.00 O ATOM 0 H ASP A 31 -14.452 23.761 -18.814 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.499 23.477 -20.916 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.840 25.662 -21.977 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.155 24.550 -22.306 1.00 0.00 H new ATOM 496 N LEU A 32 -11.193 24.333 -18.943 1.00 0.00 N ATOM 497 CA LEU A 32 -10.249 24.961 -18.007 1.00 0.00 C ATOM 498 C LEU A 32 -9.308 25.894 -18.804 1.00 0.00 C ATOM 499 O LEU A 32 -8.562 25.412 -19.670 1.00 0.00 O ATOM 500 CB LEU A 32 -9.452 23.891 -17.215 1.00 0.00 C ATOM 501 CG LEU A 32 -10.310 22.916 -16.336 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.420 21.918 -15.567 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.248 23.676 -15.362 1.00 0.00 C ATOM 0 H LEU A 32 -10.909 23.406 -19.258 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.799 25.549 -17.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.873 23.298 -17.923 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.738 24.401 -16.568 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.941 22.352 -17.023 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.047 21.258 -14.968 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.842 21.325 -16.276 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.741 22.465 -14.913 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.821 22.959 -14.775 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.652 24.298 -14.694 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.931 24.307 -15.932 1.00 0.00 H new ATOM 515 N PRO A 33 -9.349 27.245 -18.544 1.00 0.00 N ATOM 516 CA PRO A 33 -8.634 28.242 -19.370 1.00 0.00 C ATOM 517 C PRO A 33 -7.126 28.333 -19.058 1.00 0.00 C ATOM 518 O PRO A 33 -6.610 27.641 -18.176 1.00 0.00 O ATOM 519 CB PRO A 33 -9.372 29.555 -19.009 1.00 0.00 C ATOM 520 CG PRO A 33 -9.772 29.376 -17.577 1.00 0.00 C ATOM 521 CD PRO A 33 -10.078 27.896 -17.411 1.00 0.00 C ATOM 0 HA PRO A 33 -8.653 27.994 -20.431 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.724 30.422 -19.135 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.241 29.711 -19.648 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.971 29.687 -16.906 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.644 29.984 -17.336 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.732 27.523 -16.447 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.149 27.702 -17.462 1.00 0.00 H new ATOM 529 N GLN A 34 -6.428 29.207 -19.813 1.00 0.00 N ATOM 530 CA GLN A 34 -4.997 29.515 -19.606 1.00 0.00 C ATOM 531 C GLN A 34 -4.833 30.896 -18.935 1.00 0.00 C ATOM 532 O GLN A 34 -3.829 31.588 -19.131 1.00 0.00 O ATOM 533 CB GLN A 34 -4.238 29.440 -20.957 1.00 0.00 C ATOM 534 CG GLN A 34 -4.310 28.053 -21.627 1.00 0.00 C ATOM 535 CD GLN A 34 -3.441 27.912 -22.882 1.00 0.00 C ATOM 536 OE1 GLN A 34 -3.801 27.195 -23.817 1.00 0.00 O ATOM 537 NE2 GLN A 34 -2.269 28.533 -22.896 1.00 0.00 N ATOM 0 H GLN A 34 -6.844 29.722 -20.589 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.564 28.773 -18.935 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.650 30.185 -21.638 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.193 29.701 -20.792 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.007 27.297 -20.903 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.346 27.844 -21.892 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.994 29.121 -22.109 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.643 28.422 -23.693 1.00 0.00 H new ATOM 546 N SER A 35 -5.833 31.245 -18.111 1.00 0.00 N ATOM 547 CA SER A 35 -5.855 32.469 -17.271 1.00 0.00 C ATOM 548 C SER A 35 -4.636 32.500 -16.294 1.00 0.00 C ATOM 549 O SER A 35 -4.197 31.423 -15.889 1.00 0.00 O ATOM 550 CB SER A 35 -7.210 32.481 -16.517 1.00 0.00 C ATOM 551 OG SER A 35 -8.295 32.443 -17.426 1.00 0.00 O ATOM 0 H SER A 35 -6.672 30.675 -18.002 1.00 0.00 H new ATOM 0 HA SER A 35 -5.766 33.365 -17.885 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.264 31.625 -15.844 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.279 33.377 -15.899 1.00 0.00 H new ATOM 0 HG SER A 35 -9.139 32.450 -16.928 1.00 0.00 H new ATOM 557 N PRO A 36 -4.161 33.724 -15.817 1.00 0.00 N ATOM 558 CA PRO A 36 -2.787 34.003 -15.306 1.00 0.00 C ATOM 559 C PRO A 36 -1.881 32.769 -15.028 1.00 0.00 C ATOM 560 O PRO A 36 -0.957 32.497 -15.808 1.00 0.00 O ATOM 561 CB PRO A 36 -3.102 34.802 -14.026 1.00 0.00 C ATOM 562 CG PRO A 36 -4.362 35.581 -14.357 1.00 0.00 C ATOM 563 CD PRO A 36 -4.965 34.963 -15.626 1.00 0.00 C ATOM 0 HA PRO A 36 -2.181 34.519 -16.051 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.258 34.140 -13.174 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.281 35.470 -13.764 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.072 35.531 -13.531 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.131 36.634 -14.516 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.025 34.740 -15.501 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.879 35.634 -16.481 1.00 0.00 H new ATOM 571 N GLN A 37 -2.185 32.017 -13.947 1.00 0.00 N ATOM 572 CA GLN A 37 -1.444 30.790 -13.567 1.00 0.00 C ATOM 573 C GLN A 37 -2.184 30.073 -12.396 1.00 0.00 C ATOM 574 O GLN A 37 -2.658 28.949 -12.594 1.00 0.00 O ATOM 575 CB GLN A 37 0.069 31.094 -13.216 1.00 0.00 C ATOM 576 CG GLN A 37 1.076 29.928 -13.404 1.00 0.00 C ATOM 577 CD GLN A 37 0.837 28.706 -12.512 1.00 0.00 C ATOM 578 OE1 GLN A 37 0.173 27.746 -12.907 1.00 0.00 O ATOM 579 NE2 GLN A 37 1.357 28.740 -11.299 1.00 0.00 N ATOM 0 H GLN A 37 -2.951 32.242 -13.312 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.422 30.119 -14.426 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.399 31.931 -13.831 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.118 31.422 -12.178 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.046 29.608 -14.446 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.081 30.304 -13.215 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.902 29.549 -11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.214 27.958 -10.661 1.00 0.00 H new ATOM 588 N PRO A 38 -2.348 30.708 -11.168 1.00 0.00 N ATOM 589 CA PRO A 38 -2.838 29.976 -9.967 1.00 0.00 C ATOM 590 C PRO A 38 -4.352 29.665 -10.026 1.00 0.00 C ATOM 591 O PRO A 38 -4.827 28.734 -9.365 1.00 0.00 O ATOM 592 CB PRO A 38 -2.482 30.933 -8.810 1.00 0.00 C ATOM 593 CG PRO A 38 -2.590 32.301 -9.411 1.00 0.00 C ATOM 594 CD PRO A 38 -2.130 32.158 -10.849 1.00 0.00 C ATOM 0 HA PRO A 38 -2.384 28.990 -9.864 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.166 30.813 -7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.477 30.743 -8.432 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.615 32.669 -9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.969 33.016 -8.871 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.704 32.802 -11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.082 32.436 -10.961 1.00 0.00 H new ATOM 602 N VAL A 39 -5.086 30.453 -10.829 1.00 0.00 N ATOM 603 CA VAL A 39 -6.513 30.217 -11.125 1.00 0.00 C ATOM 604 C VAL A 39 -6.710 28.877 -11.860 1.00 0.00 C ATOM 605 O VAL A 39 -7.695 28.177 -11.612 1.00 0.00 O ATOM 606 CB VAL A 39 -7.138 31.394 -11.968 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.447 32.622 -11.080 1.00 0.00 C ATOM 608 CG2 VAL A 39 -6.206 31.792 -13.133 1.00 0.00 C ATOM 0 H VAL A 39 -4.706 31.277 -11.295 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.035 30.174 -10.169 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.079 31.035 -12.385 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.877 33.415 -11.692 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.156 32.339 -10.302 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.526 32.978 -10.619 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.659 32.606 -13.700 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.245 32.118 -12.735 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.055 30.934 -13.788 1.00 0.00 H new ATOM 618 N ARG A 40 -5.757 28.530 -12.756 1.00 0.00 N ATOM 619 CA ARG A 40 -5.764 27.237 -13.475 1.00 0.00 C ATOM 620 C ARG A 40 -5.550 26.092 -12.484 1.00 0.00 C ATOM 621 O ARG A 40 -6.235 25.083 -12.540 1.00 0.00 O ATOM 622 CB ARG A 40 -4.642 27.158 -14.538 1.00 0.00 C ATOM 623 CG ARG A 40 -4.649 28.278 -15.583 1.00 0.00 C ATOM 624 CD ARG A 40 -3.428 28.212 -16.518 1.00 0.00 C ATOM 625 NE ARG A 40 -3.376 26.960 -17.303 1.00 0.00 N ATOM 626 CZ ARG A 40 -2.317 26.542 -18.019 1.00 0.00 C ATOM 627 NH1 ARG A 40 -1.208 27.266 -18.080 1.00 0.00 N ATOM 628 NH2 ARG A 40 -2.371 25.389 -18.673 1.00 0.00 N ATOM 0 H ARG A 40 -4.970 29.132 -12.998 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.731 27.155 -13.972 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.679 27.166 -14.027 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.720 26.201 -15.055 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.562 28.213 -16.176 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.665 29.244 -15.077 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.451 29.062 -17.200 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.517 28.303 -15.926 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.207 26.368 -17.301 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.150 28.153 -17.580 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.413 26.936 -18.627 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.216 24.819 -18.633 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.568 25.072 -19.216 1.00 0.00 H new ATOM 642 N VAL A 41 -4.571 26.298 -11.588 1.00 0.00 N ATOM 643 CA VAL A 41 -4.158 25.321 -10.563 1.00 0.00 C ATOM 644 C VAL A 41 -5.366 24.877 -9.698 1.00 0.00 C ATOM 645 O VAL A 41 -5.642 23.672 -9.561 1.00 0.00 O ATOM 646 CB VAL A 41 -2.983 25.938 -9.693 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.535 25.012 -8.544 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.775 26.301 -10.598 1.00 0.00 C ATOM 0 H VAL A 41 -4.033 27.164 -11.554 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.783 24.420 -11.048 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.376 26.843 -9.230 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.729 25.489 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.377 24.825 -7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.181 24.067 -8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.977 26.723 -9.987 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.413 25.403 -11.099 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.086 27.032 -11.344 1.00 0.00 H new ATOM 658 N LYS A 42 -6.123 25.868 -9.202 1.00 0.00 N ATOM 659 CA LYS A 42 -7.304 25.628 -8.354 1.00 0.00 C ATOM 660 C LYS A 42 -8.480 25.067 -9.204 1.00 0.00 C ATOM 661 O LYS A 42 -9.243 24.222 -8.722 1.00 0.00 O ATOM 662 CB LYS A 42 -7.691 26.943 -7.594 1.00 0.00 C ATOM 663 CG LYS A 42 -8.463 26.746 -6.252 1.00 0.00 C ATOM 664 CD LYS A 42 -9.960 26.383 -6.410 1.00 0.00 C ATOM 665 CE LYS A 42 -10.790 27.498 -7.081 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.818 28.741 -6.273 1.00 0.00 N ATOM 0 H LYS A 42 -5.936 26.855 -9.376 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.067 24.873 -7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.779 27.504 -7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.301 27.558 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.972 25.960 -5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.386 27.663 -5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.045 25.471 -7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.380 26.168 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.374 27.716 -8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.810 27.145 -7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.468 29.425 -6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.144 28.522 -5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.862 29.149 -6.231 1.00 0.00 H new ATOM 680 N ALA A 43 -8.608 25.538 -10.465 1.00 0.00 N ATOM 681 CA ALA A 43 -9.645 25.050 -11.412 1.00 0.00 C ATOM 682 C ALA A 43 -9.489 23.539 -11.719 1.00 0.00 C ATOM 683 O ALA A 43 -10.481 22.789 -11.739 1.00 0.00 O ATOM 684 CB ALA A 43 -9.601 25.873 -12.712 1.00 0.00 C ATOM 0 H ALA A 43 -8.003 26.260 -10.855 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.616 25.182 -10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.364 25.508 -13.400 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.789 26.922 -12.485 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.619 25.772 -13.174 1.00 0.00 H new ATOM 690 N VAL A 44 -8.235 23.112 -11.934 1.00 0.00 N ATOM 691 CA VAL A 44 -7.891 21.710 -12.213 1.00 0.00 C ATOM 692 C VAL A 44 -8.160 20.852 -10.971 1.00 0.00 C ATOM 693 O VAL A 44 -8.705 19.760 -11.094 1.00 0.00 O ATOM 694 CB VAL A 44 -6.395 21.556 -12.692 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.994 20.073 -12.873 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.159 22.337 -14.009 1.00 0.00 C ATOM 0 H VAL A 44 -7.427 23.734 -11.919 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.523 21.362 -13.030 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.763 21.977 -11.910 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.957 20.014 -13.203 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.103 19.548 -11.924 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.639 19.610 -13.620 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.122 22.218 -14.322 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.819 21.949 -14.785 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.370 23.394 -13.848 1.00 0.00 H new ATOM 706 N TYR A 45 -7.794 21.381 -9.790 1.00 0.00 N ATOM 707 CA TYR A 45 -8.119 20.767 -8.486 1.00 0.00 C ATOM 708 C TYR A 45 -9.626 20.452 -8.364 1.00 0.00 C ATOM 709 O TYR A 45 -9.992 19.313 -8.059 1.00 0.00 O ATOM 710 CB TYR A 45 -7.649 21.707 -7.346 1.00 0.00 C ATOM 711 CG TYR A 45 -8.285 21.461 -5.966 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.831 20.446 -5.118 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.346 22.258 -5.518 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.424 20.232 -3.886 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.936 22.043 -4.299 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.472 21.038 -3.485 1.00 0.00 C ATOM 717 OH TYR A 45 -10.080 20.828 -2.270 1.00 0.00 O ATOM 0 H TYR A 45 -7.263 22.248 -9.711 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.593 19.816 -8.407 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.567 21.614 -7.248 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.855 22.736 -7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.007 19.821 -5.429 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.707 23.059 -6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.070 19.440 -3.242 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.762 22.661 -3.980 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.797 21.484 -2.145 1.00 0.00 H new ATOM 727 N LEU A 46 -10.473 21.479 -8.615 1.00 0.00 N ATOM 728 CA LEU A 46 -11.949 21.353 -8.535 1.00 0.00 C ATOM 729 C LEU A 46 -12.454 20.233 -9.448 1.00 0.00 C ATOM 730 O LEU A 46 -13.248 19.387 -9.015 1.00 0.00 O ATOM 731 CB LEU A 46 -12.655 22.687 -8.912 1.00 0.00 C ATOM 732 CG LEU A 46 -12.484 23.867 -7.910 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.253 25.114 -8.399 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.917 23.468 -6.474 1.00 0.00 C ATOM 0 H LEU A 46 -10.155 22.412 -8.877 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.194 21.109 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.282 23.008 -9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.721 22.489 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.423 24.115 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.120 25.927 -7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.869 25.420 -9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.313 24.877 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.783 24.317 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.966 23.172 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.306 22.634 -6.128 1.00 0.00 H new ATOM 746 N PHE A 47 -11.956 20.241 -10.700 1.00 0.00 N ATOM 747 CA PHE A 47 -12.263 19.201 -11.692 1.00 0.00 C ATOM 748 C PHE A 47 -11.881 17.803 -11.161 1.00 0.00 C ATOM 749 O PHE A 47 -12.701 16.903 -11.191 1.00 0.00 O ATOM 750 CB PHE A 47 -11.549 19.497 -13.056 1.00 0.00 C ATOM 751 CG PHE A 47 -11.396 18.265 -13.969 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.515 17.579 -14.459 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.133 17.770 -14.291 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.367 16.444 -15.234 1.00 0.00 C ATOM 755 CE2 PHE A 47 -9.990 16.641 -15.071 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.106 15.974 -15.539 1.00 0.00 C ATOM 0 H PHE A 47 -11.331 20.968 -11.048 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.339 19.212 -11.868 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.112 20.263 -13.589 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.561 19.911 -12.854 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.506 17.942 -14.228 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.253 18.278 -13.924 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.240 15.924 -15.601 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.003 16.278 -15.316 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.991 15.086 -16.143 1.00 0.00 H new ATOM 766 N LEU A 48 -10.637 17.646 -10.683 1.00 0.00 N ATOM 767 CA LEU A 48 -10.090 16.339 -10.274 1.00 0.00 C ATOM 768 C LEU A 48 -10.844 15.736 -9.066 1.00 0.00 C ATOM 769 O LEU A 48 -11.077 14.530 -9.019 1.00 0.00 O ATOM 770 CB LEU A 48 -8.579 16.444 -9.968 1.00 0.00 C ATOM 771 CG LEU A 48 -7.634 16.810 -11.156 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.168 16.862 -10.694 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.802 15.848 -12.347 1.00 0.00 C ATOM 0 H LEU A 48 -9.981 18.419 -10.568 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.233 15.662 -11.116 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.444 17.191 -9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.250 15.490 -9.557 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.921 17.803 -11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.529 17.119 -11.539 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.059 17.616 -9.914 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.876 15.888 -10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.125 16.141 -13.150 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.570 14.832 -12.029 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.830 15.890 -12.706 1.00 0.00 H new ATOM 785 N VAL A 49 -11.228 16.580 -8.095 1.00 0.00 N ATOM 786 CA VAL A 49 -12.021 16.136 -6.924 1.00 0.00 C ATOM 787 C VAL A 49 -13.439 15.718 -7.383 1.00 0.00 C ATOM 788 O VAL A 49 -13.988 14.708 -6.922 1.00 0.00 O ATOM 789 CB VAL A 49 -12.111 17.248 -5.806 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.930 16.759 -4.586 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.704 17.710 -5.357 1.00 0.00 C ATOM 0 H VAL A 49 -11.005 17.575 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.510 15.280 -6.482 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.629 18.102 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.972 17.549 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.942 16.507 -4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.454 15.877 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.801 18.475 -4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.153 16.860 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.166 18.121 -6.211 1.00 0.00 H new ATOM 801 N ASP A 50 -13.989 16.497 -8.328 1.00 0.00 N ATOM 802 CA ASP A 50 -15.311 16.253 -8.942 1.00 0.00 C ATOM 803 C ASP A 50 -15.304 14.973 -9.816 1.00 0.00 C ATOM 804 O ASP A 50 -16.300 14.243 -9.874 1.00 0.00 O ATOM 805 CB ASP A 50 -15.700 17.495 -9.798 1.00 0.00 C ATOM 806 CG ASP A 50 -17.063 17.383 -10.507 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.104 17.593 -9.846 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.099 17.073 -11.722 1.00 0.00 O ATOM 0 H ASP A 50 -13.524 17.327 -8.695 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.046 16.098 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.711 18.375 -9.154 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.927 17.659 -10.549 1.00 0.00 H new ATOM 813 N ALA A 51 -14.153 14.698 -10.448 1.00 0.00 N ATOM 814 CA ALA A 51 -13.991 13.610 -11.430 1.00 0.00 C ATOM 815 C ALA A 51 -13.394 12.346 -10.787 1.00 0.00 C ATOM 816 O ALA A 51 -12.874 11.475 -11.504 1.00 0.00 O ATOM 817 CB ALA A 51 -13.117 14.095 -12.598 1.00 0.00 C ATOM 0 H ALA A 51 -13.297 15.230 -10.291 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.977 13.340 -11.808 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.998 13.289 -13.323 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.594 14.949 -13.079 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.138 14.391 -12.221 1.00 0.00 H new ATOM 823 N LYS A 52 -13.458 12.266 -9.430 1.00 0.00 N ATOM 824 CA LYS A 52 -13.073 11.064 -8.640 1.00 0.00 C ATOM 825 C LYS A 52 -11.557 10.740 -8.735 1.00 0.00 C ATOM 826 O LYS A 52 -11.123 9.650 -8.347 1.00 0.00 O ATOM 827 CB LYS A 52 -13.945 9.845 -9.087 1.00 0.00 C ATOM 828 CG LYS A 52 -15.467 10.012 -8.823 1.00 0.00 C ATOM 829 CD LYS A 52 -15.847 9.806 -7.340 1.00 0.00 C ATOM 830 CE LYS A 52 -15.613 8.355 -6.880 1.00 0.00 C ATOM 831 NZ LYS A 52 -15.874 8.171 -5.432 1.00 0.00 N ATOM 0 H LYS A 52 -13.781 13.040 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.265 11.280 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.790 9.675 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.594 8.953 -8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.778 11.008 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.017 9.298 -9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.260 10.482 -6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.895 10.068 -7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.259 7.687 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.585 8.068 -7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.703 7.179 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.240 8.787 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.862 8.418 -5.223 1.00 0.00 H new ATOM 845 N GLN A 53 -10.765 11.728 -9.185 1.00 0.00 N ATOM 846 CA GLN A 53 -9.313 11.586 -9.423 1.00 0.00 C ATOM 847 C GLN A 53 -8.508 11.730 -8.117 1.00 0.00 C ATOM 848 O GLN A 53 -7.579 10.953 -7.867 1.00 0.00 O ATOM 849 CB GLN A 53 -8.841 12.650 -10.450 1.00 0.00 C ATOM 850 CG GLN A 53 -9.600 12.643 -11.796 1.00 0.00 C ATOM 851 CD GLN A 53 -9.399 11.377 -12.636 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.340 10.747 -12.602 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.413 10.998 -13.401 1.00 0.00 N ATOM 0 H GLN A 53 -11.117 12.661 -9.397 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.135 10.586 -9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.941 13.637 -9.999 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.780 12.496 -10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.665 12.766 -11.598 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.282 13.506 -12.382 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.277 11.540 -13.408 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.329 10.164 -13.983 1.00 0.00 H new ATOM 862 N ILE A 54 -8.863 12.743 -7.289 1.00 0.00 N ATOM 863 CA ILE A 54 -8.176 13.030 -5.994 1.00 0.00 C ATOM 864 C ILE A 54 -9.191 13.309 -4.867 1.00 0.00 C ATOM 865 O ILE A 54 -10.406 13.386 -5.097 1.00 0.00 O ATOM 866 CB ILE A 54 -7.183 14.264 -6.085 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.938 15.544 -6.560 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.974 13.952 -6.989 1.00 0.00 C ATOM 869 CD1 ILE A 54 -7.102 16.812 -6.628 1.00 0.00 C ATOM 0 H ILE A 54 -9.629 13.384 -7.494 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.600 12.133 -5.768 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.793 14.456 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.356 15.352 -7.548 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.778 15.719 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.315 14.820 -7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.428 13.100 -6.585 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.323 13.716 -7.994 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.724 17.640 -6.969 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.705 17.040 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.277 16.667 -7.325 1.00 0.00 H new ATOM 881 N ALA A 55 -8.637 13.476 -3.649 1.00 0.00 N ATOM 882 CA ALA A 55 -9.372 13.844 -2.432 1.00 0.00 C ATOM 883 C ALA A 55 -9.419 15.381 -2.286 1.00 0.00 C ATOM 884 O ALA A 55 -8.505 16.070 -2.765 1.00 0.00 O ATOM 885 CB ALA A 55 -8.684 13.208 -1.206 1.00 0.00 C ATOM 0 H ALA A 55 -7.638 13.354 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.395 13.473 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.228 13.480 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.679 12.123 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.659 13.571 -1.135 1.00 0.00 H new ATOM 891 N PRO A 56 -10.486 15.957 -1.640 1.00 0.00 N ATOM 892 CA PRO A 56 -10.538 17.403 -1.343 1.00 0.00 C ATOM 893 C PRO A 56 -9.632 17.792 -0.154 1.00 0.00 C ATOM 894 O PRO A 56 -9.317 16.968 0.716 1.00 0.00 O ATOM 895 CB PRO A 56 -12.033 17.645 -1.029 1.00 0.00 C ATOM 896 CG PRO A 56 -12.514 16.341 -0.463 1.00 0.00 C ATOM 897 CD PRO A 56 -11.732 15.260 -1.186 1.00 0.00 C ATOM 0 HA PRO A 56 -10.169 18.013 -2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.162 18.459 -0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.588 17.917 -1.927 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.342 16.295 0.612 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.586 16.219 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.503 14.423 -0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.294 14.857 -2.029 1.00 0.00 H new ATOM 905 N LEU A 57 -9.191 19.043 -0.171 1.00 0.00 N ATOM 906 CA LEU A 57 -8.456 19.676 0.926 1.00 0.00 C ATOM 907 C LEU A 57 -9.434 20.395 1.876 1.00 0.00 C ATOM 908 O LEU A 57 -10.536 20.780 1.450 1.00 0.00 O ATOM 909 CB LEU A 57 -7.455 20.703 0.341 1.00 0.00 C ATOM 910 CG LEU A 57 -6.258 20.103 -0.453 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.529 21.190 -1.262 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.276 19.362 0.491 1.00 0.00 C ATOM 0 H LEU A 57 -9.336 19.665 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.918 18.911 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.000 21.380 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.059 21.304 1.160 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.659 19.374 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.698 20.742 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.223 21.644 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.149 21.955 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.450 18.953 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.887 20.060 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.800 18.551 0.997 1.00 0.00 H new ATOM 924 N PRO A 58 -9.052 20.587 3.181 1.00 0.00 N ATOM 925 CA PRO A 58 -9.776 21.510 4.084 1.00 0.00 C ATOM 926 C PRO A 58 -9.652 22.982 3.608 1.00 0.00 C ATOM 927 O PRO A 58 -8.706 23.325 2.894 1.00 0.00 O ATOM 928 CB PRO A 58 -9.082 21.286 5.459 1.00 0.00 C ATOM 929 CG PRO A 58 -7.729 20.745 5.125 1.00 0.00 C ATOM 930 CD PRO A 58 -7.930 19.896 3.889 1.00 0.00 C ATOM 0 HA PRO A 58 -10.849 21.319 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.007 22.218 6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.646 20.586 6.076 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.019 21.551 4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.329 20.153 5.948 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.030 19.857 3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.187 18.868 4.144 1.00 0.00 H new ATOM 938 N ASP A 59 -10.608 23.827 4.020 1.00 0.00 N ATOM 939 CA ASP A 59 -10.637 25.270 3.676 1.00 0.00 C ATOM 940 C ASP A 59 -9.433 26.013 4.292 1.00 0.00 C ATOM 941 O ASP A 59 -8.959 27.017 3.745 1.00 0.00 O ATOM 942 CB ASP A 59 -11.970 25.895 4.162 1.00 0.00 C ATOM 943 CG ASP A 59 -13.201 25.263 3.486 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.578 24.132 3.866 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.787 25.891 2.572 1.00 0.00 O ATOM 0 H ASP A 59 -11.391 23.534 4.605 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.568 25.371 2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.051 25.774 5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.959 26.966 3.961 1.00 0.00 H new ATOM 950 N SER A 60 -8.947 25.482 5.425 1.00 0.00 N ATOM 951 CA SER A 60 -7.765 25.995 6.130 1.00 0.00 C ATOM 952 C SER A 60 -6.472 25.726 5.334 1.00 0.00 C ATOM 953 O SER A 60 -5.479 26.433 5.502 1.00 0.00 O ATOM 954 CB SER A 60 -7.694 25.336 7.518 1.00 0.00 C ATOM 955 OG SER A 60 -8.900 25.561 8.234 1.00 0.00 O ATOM 0 H SER A 60 -9.370 24.674 5.882 1.00 0.00 H new ATOM 0 HA SER A 60 -7.856 27.076 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.521 24.265 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.850 25.741 8.077 1.00 0.00 H new ATOM 0 HG SER A 60 -8.842 25.135 9.115 1.00 0.00 H new ATOM 961 N LYS A 61 -6.496 24.680 4.478 1.00 0.00 N ATOM 962 CA LYS A 61 -5.362 24.305 3.599 1.00 0.00 C ATOM 963 C LYS A 61 -5.791 24.354 2.125 1.00 0.00 C ATOM 964 O LYS A 61 -5.296 23.596 1.290 1.00 0.00 O ATOM 965 CB LYS A 61 -4.816 22.896 3.984 1.00 0.00 C ATOM 966 CG LYS A 61 -4.306 22.798 5.442 1.00 0.00 C ATOM 967 CD LYS A 61 -3.148 23.782 5.750 1.00 0.00 C ATOM 968 CE LYS A 61 -2.785 23.825 7.243 1.00 0.00 C ATOM 969 NZ LYS A 61 -1.641 24.741 7.507 1.00 0.00 N ATOM 0 H LYS A 61 -7.306 24.068 4.376 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.555 25.025 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.605 22.158 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.003 22.635 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.133 22.995 6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.970 21.779 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.268 23.492 5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.429 24.782 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.652 24.150 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.533 22.821 7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.426 24.743 8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.807 24.416 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.890 25.704 7.204 1.00 0.00 H new ATOM 983 N LEU A 62 -6.694 25.299 1.809 1.00 0.00 N ATOM 984 CA LEU A 62 -7.112 25.589 0.417 1.00 0.00 C ATOM 985 C LEU A 62 -6.185 26.701 -0.129 1.00 0.00 C ATOM 986 O LEU A 62 -6.625 27.730 -0.647 1.00 0.00 O ATOM 987 CB LEU A 62 -8.637 25.972 0.382 1.00 0.00 C ATOM 988 CG LEU A 62 -9.476 25.437 -0.832 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.102 26.127 -2.165 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.349 23.899 -0.939 1.00 0.00 C ATOM 0 H LEU A 62 -7.156 25.884 2.505 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.011 24.715 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.099 25.609 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.714 27.059 0.395 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.519 25.689 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.713 25.718 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.280 27.199 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.049 25.950 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.936 23.543 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.303 23.630 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.718 23.439 -0.022 1.00 0.00 H new ATOM 1002 N ASP A 63 -4.884 26.433 0.017 1.00 0.00 N ATOM 1003 CA ASP A 63 -3.772 27.329 -0.335 1.00 0.00 C ATOM 1004 C ASP A 63 -3.127 26.821 -1.625 1.00 0.00 C ATOM 1005 O ASP A 63 -3.117 25.620 -1.854 1.00 0.00 O ATOM 1006 CB ASP A 63 -2.749 27.339 0.844 1.00 0.00 C ATOM 1007 CG ASP A 63 -1.337 27.853 0.483 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.133 29.078 0.440 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -0.437 27.021 0.202 1.00 0.00 O ATOM 0 H ASP A 63 -4.560 25.546 0.401 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.122 28.348 -0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.150 27.958 1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.661 26.326 1.236 1.00 0.00 H new ATOM 1014 N GLY A 64 -2.552 27.752 -2.415 1.00 0.00 N ATOM 1015 CA GLY A 64 -1.969 27.462 -3.731 1.00 0.00 C ATOM 1016 C GLY A 64 -1.000 26.283 -3.735 1.00 0.00 C ATOM 1017 O GLY A 64 -1.143 25.386 -4.555 1.00 0.00 O ATOM 0 H GLY A 64 -2.482 28.734 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.774 27.259 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.447 28.349 -4.089 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.062 26.258 -2.774 1.00 0.00 N ATOM 1022 CA ALA A 65 0.973 25.199 -2.679 1.00 0.00 C ATOM 1023 C ALA A 65 0.362 23.839 -2.281 1.00 0.00 C ATOM 1024 O ALA A 65 0.854 22.787 -2.697 1.00 0.00 O ATOM 1025 CB ALA A 65 2.059 25.622 -1.677 1.00 0.00 C ATOM 0 H ALA A 65 0.006 26.965 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 65 1.423 25.074 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.817 24.841 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.522 26.550 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.609 25.775 -0.696 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.708 23.875 -1.464 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.447 22.654 -1.046 1.00 0.00 C ATOM 1033 C ASN A 66 -2.258 22.079 -2.223 1.00 0.00 C ATOM 1034 O ASN A 66 -2.366 20.851 -2.375 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.381 22.952 0.151 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.621 23.246 1.449 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.395 22.356 2.266 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -1.181 24.476 1.630 1.00 0.00 N ATOM 0 H ASN A 66 -1.087 24.739 -1.075 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.713 21.912 -0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.014 23.805 -0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.042 22.100 0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.640 24.707 2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.382 25.197 0.937 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.823 22.987 -3.051 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.565 22.627 -4.272 1.00 0.00 C ATOM 1047 C ILE A 67 -2.598 21.940 -5.252 1.00 0.00 C ATOM 1048 O ILE A 67 -2.894 20.874 -5.808 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.207 23.903 -4.957 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.235 24.627 -4.021 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.864 23.536 -6.298 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.494 23.838 -3.719 1.00 0.00 C ATOM 0 H ILE A 67 -2.775 23.993 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.378 21.952 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.393 24.602 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.740 24.867 -3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.519 25.573 -4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.297 24.430 -6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.113 23.120 -6.969 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.648 22.798 -6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.141 24.422 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.019 23.621 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.228 22.903 -3.225 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.419 22.569 -5.391 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.309 22.074 -6.211 1.00 0.00 C ATOM 1066 C LYS A 68 0.120 20.656 -5.800 1.00 0.00 C ATOM 1067 O LYS A 68 0.468 19.850 -6.655 1.00 0.00 O ATOM 1068 CB LYS A 68 0.906 23.029 -6.092 1.00 0.00 C ATOM 1069 CG LYS A 68 0.748 24.380 -6.813 1.00 0.00 C ATOM 1070 CD LYS A 68 2.048 25.196 -6.779 1.00 0.00 C ATOM 1071 CE LYS A 68 1.936 26.538 -7.501 1.00 0.00 C ATOM 1072 NZ LYS A 68 3.239 27.258 -7.515 1.00 0.00 N ATOM 0 H LYS A 68 -1.210 23.453 -4.926 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.658 22.038 -7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.097 23.219 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.786 22.523 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.453 24.208 -7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.053 24.951 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.332 25.372 -5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.848 24.612 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.598 26.375 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.183 27.155 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.383 27.697 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.236 27.995 -6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.009 26.585 -7.327 1.00 0.00 H new ATOM 1086 N HIS A 69 0.085 20.385 -4.486 1.00 0.00 N ATOM 1087 CA HIS A 69 0.491 19.091 -3.914 1.00 0.00 C ATOM 1088 C HIS A 69 -0.467 17.970 -4.372 1.00 0.00 C ATOM 1089 O HIS A 69 -0.025 16.893 -4.777 1.00 0.00 O ATOM 1090 CB HIS A 69 0.555 19.188 -2.370 1.00 0.00 C ATOM 1091 CG HIS A 69 1.289 18.050 -1.704 1.00 0.00 C ATOM 1092 ND1 HIS A 69 2.661 17.908 -1.766 1.00 0.00 N ATOM 1093 CD2 HIS A 69 0.845 17.007 -0.968 1.00 0.00 C ATOM 1094 CE1 HIS A 69 3.022 16.834 -1.098 1.00 0.00 C ATOM 1095 NE2 HIS A 69 1.939 16.271 -0.603 1.00 0.00 N ATOM 0 H HIS A 69 -0.227 21.060 -3.787 1.00 0.00 H new ATOM 0 HA HIS A 69 1.487 18.840 -4.278 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.039 20.126 -2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.461 19.228 -1.978 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.297 18.539 -2.254 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.183 16.794 -0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.033 16.475 -0.976 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.783 18.262 -4.334 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.836 17.353 -4.850 1.00 0.00 C ATOM 1106 C ARG A 70 -2.613 17.037 -6.345 1.00 0.00 C ATOM 1107 O ARG A 70 -2.627 15.863 -6.753 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.249 17.978 -4.650 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.810 17.924 -3.211 1.00 0.00 C ATOM 1110 CD ARG A 70 -5.016 16.478 -2.695 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.915 16.432 -1.515 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.696 15.742 -0.383 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.579 15.063 -0.199 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.623 15.741 0.566 1.00 0.00 N ATOM 0 H ARG A 70 -2.149 19.132 -3.946 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.775 16.423 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.213 19.020 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.949 17.468 -5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.129 18.449 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.762 18.455 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.434 15.864 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.050 16.046 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.778 16.974 -1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.862 15.055 -0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.433 14.546 0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.491 16.260 0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.468 15.221 1.430 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.372 18.104 -7.133 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.143 18.000 -8.588 1.00 0.00 C ATOM 1130 C LEU A 71 -0.868 17.194 -8.902 1.00 0.00 C ATOM 1131 O LEU A 71 -0.843 16.390 -9.842 1.00 0.00 O ATOM 1132 CB LEU A 71 -2.019 19.410 -9.227 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.218 20.388 -9.018 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.038 21.671 -9.847 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.572 19.721 -9.325 1.00 0.00 C ATOM 0 H LEU A 71 -2.331 19.060 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.003 17.480 -9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.121 19.884 -8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.866 19.284 -10.299 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.225 20.661 -7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.888 22.333 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.121 22.175 -9.543 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.978 21.415 -10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.376 20.440 -9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.585 19.385 -10.362 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.714 18.865 -8.665 1.00 0.00 H new ATOM 1147 N ALA A 72 0.168 17.425 -8.081 1.00 0.00 N ATOM 1148 CA ALA A 72 1.503 16.848 -8.262 1.00 0.00 C ATOM 1149 C ALA A 72 1.486 15.334 -8.060 1.00 0.00 C ATOM 1150 O ALA A 72 2.016 14.597 -8.888 1.00 0.00 O ATOM 1151 CB ALA A 72 2.502 17.508 -7.308 1.00 0.00 C ATOM 0 H ALA A 72 0.098 18.028 -7.261 1.00 0.00 H new ATOM 0 HA ALA A 72 1.817 17.042 -9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.489 17.069 -7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.547 18.578 -7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.182 17.348 -6.278 1.00 0.00 H new ATOM 1157 N LEU A 73 0.861 14.881 -6.957 1.00 0.00 N ATOM 1158 CA LEU A 73 0.735 13.441 -6.649 1.00 0.00 C ATOM 1159 C LEU A 73 -0.211 12.727 -7.625 1.00 0.00 C ATOM 1160 O LEU A 73 -0.008 11.534 -7.924 1.00 0.00 O ATOM 1161 CB LEU A 73 0.288 13.194 -5.184 1.00 0.00 C ATOM 1162 CG LEU A 73 1.430 13.242 -4.118 1.00 0.00 C ATOM 1163 CD1 LEU A 73 1.859 14.679 -3.796 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.037 12.467 -2.850 1.00 0.00 C ATOM 0 H LEU A 73 0.434 15.492 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 73 1.731 13.015 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.463 13.939 -4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.196 12.219 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 73 2.299 12.748 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.654 14.663 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.221 15.162 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.006 15.234 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.850 12.517 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.139 12.908 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.843 11.425 -3.106 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.248 13.449 -8.100 1.00 0.00 N ATOM 1177 CA TRP A 74 -2.189 12.918 -9.102 1.00 0.00 C ATOM 1178 C TRP A 74 -1.454 12.533 -10.396 1.00 0.00 C ATOM 1179 O TRP A 74 -1.544 11.393 -10.848 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.312 13.939 -9.424 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.218 13.492 -10.554 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -5.151 12.495 -10.517 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.242 14.012 -11.893 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.749 12.366 -11.746 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.206 13.282 -12.604 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.537 15.025 -12.550 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.492 13.539 -13.938 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.817 15.277 -13.875 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.784 14.531 -14.560 1.00 0.00 C ATOM 0 H TRP A 74 -1.453 14.403 -7.803 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.645 12.026 -8.673 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.912 14.104 -8.529 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.860 14.896 -9.686 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.384 11.896 -9.649 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.480 11.695 -11.981 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.786 15.600 -12.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.247 12.976 -14.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.283 16.061 -14.393 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.975 14.743 -15.602 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.741 13.509 -10.976 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.039 13.334 -12.254 1.00 0.00 C ATOM 1202 C ILE A 75 1.197 12.422 -12.079 1.00 0.00 C ATOM 1203 O ILE A 75 1.575 11.714 -13.003 1.00 0.00 O ATOM 1204 CB ILE A 75 0.357 14.720 -12.890 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.839 14.560 -14.370 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.419 15.438 -12.039 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.187 13.954 -15.316 1.00 0.00 C ATOM 0 H ILE A 75 -0.635 14.440 -10.573 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.724 12.845 -12.947 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.540 15.339 -12.903 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.128 15.540 -14.750 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.733 13.937 -14.380 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.673 16.391 -12.502 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.025 15.614 -11.038 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.313 14.818 -11.973 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.238 13.883 -16.317 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.460 12.958 -14.967 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.075 14.586 -15.343 1.00 0.00 H new ATOM 1219 N HIS A 76 1.784 12.413 -10.861 1.00 0.00 N ATOM 1220 CA HIS A 76 2.933 11.543 -10.529 1.00 0.00 C ATOM 1221 C HIS A 76 2.488 10.066 -10.514 1.00 0.00 C ATOM 1222 O HIS A 76 3.282 9.159 -10.799 1.00 0.00 O ATOM 1223 CB HIS A 76 3.555 11.948 -9.159 1.00 0.00 C ATOM 1224 CG HIS A 76 4.991 11.551 -8.980 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.572 11.360 -7.747 1.00 0.00 N ATOM 1226 CD2 HIS A 76 5.986 11.402 -9.886 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.850 11.108 -7.910 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.128 11.129 -9.193 1.00 0.00 N ATOM 0 H HIS A 76 1.478 13.003 -10.088 1.00 0.00 H new ATOM 0 HA HIS A 76 3.700 11.669 -11.294 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.474 13.029 -9.044 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.965 11.498 -8.360 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.892 11.484 -10.959 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.558 10.915 -7.117 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.048 10.968 -9.604 1.00 0.00 H new ATOM 1237 N ALA A 77 1.211 9.858 -10.147 1.00 0.00 N ATOM 1238 CA ALA A 77 0.535 8.560 -10.273 1.00 0.00 C ATOM 1239 C ALA A 77 0.134 8.281 -11.736 1.00 0.00 C ATOM 1240 O ALA A 77 0.307 7.164 -12.233 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.708 8.542 -9.373 1.00 0.00 C ATOM 0 H ALA A 77 0.619 10.590 -9.754 1.00 0.00 H new ATOM 0 HA ALA A 77 1.226 7.777 -9.960 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.210 7.579 -9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.409 8.697 -8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.389 9.337 -9.677 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.396 9.321 -12.406 1.00 0.00 N ATOM 1248 CA ALA A 78 -0.993 9.213 -13.756 1.00 0.00 C ATOM 1249 C ALA A 78 0.048 8.838 -14.830 1.00 0.00 C ATOM 1250 O ALA A 78 -0.289 8.185 -15.817 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.710 10.519 -14.130 1.00 0.00 C ATOM 0 H ALA A 78 -0.424 10.267 -12.026 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.722 8.403 -13.723 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.144 10.424 -15.125 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.501 10.720 -13.407 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.995 11.342 -14.123 1.00 0.00 H new ATOM 1257 N LEU A 79 1.306 9.261 -14.622 1.00 0.00 N ATOM 1258 CA LEU A 79 2.431 8.897 -15.501 1.00 0.00 C ATOM 1259 C LEU A 79 2.843 7.435 -15.224 1.00 0.00 C ATOM 1260 O LEU A 79 3.216 7.130 -14.088 1.00 0.00 O ATOM 1261 CB LEU A 79 3.629 9.865 -15.283 1.00 0.00 C ATOM 1262 CG LEU A 79 3.346 11.372 -15.601 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.565 12.258 -15.276 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.891 11.568 -17.069 1.00 0.00 C ATOM 0 H LEU A 79 1.572 9.863 -13.843 1.00 0.00 H new ATOM 0 HA LEU A 79 2.120 8.985 -16.542 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.953 9.786 -14.245 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.461 9.531 -15.903 1.00 0.00 H new ATOM 0 HG LEU A 79 2.526 11.688 -14.956 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.332 13.297 -15.509 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.807 12.169 -14.217 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.419 11.935 -15.872 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.704 12.626 -17.254 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.672 11.215 -17.742 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.977 11.001 -17.245 1.00 0.00 H new ATOM 1276 N PRO A 80 2.737 6.508 -16.248 1.00 0.00 N ATOM 1277 CA PRO A 80 3.097 5.068 -16.104 1.00 0.00 C ATOM 1278 C PRO A 80 4.484 4.821 -15.481 1.00 0.00 C ATOM 1279 O PRO A 80 4.649 3.945 -14.628 1.00 0.00 O ATOM 1280 CB PRO A 80 3.059 4.555 -17.567 1.00 0.00 C ATOM 1281 CG PRO A 80 2.038 5.413 -18.235 1.00 0.00 C ATOM 1282 CD PRO A 80 2.197 6.786 -17.616 1.00 0.00 C ATOM 0 HA PRO A 80 2.416 4.559 -15.422 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.033 4.650 -18.047 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.783 3.501 -17.612 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.198 5.447 -19.313 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.033 5.024 -18.074 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.879 7.408 -18.195 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.245 7.315 -17.569 1.00 0.00 H new ATOM 1290 N ASP A 81 5.467 5.618 -15.926 1.00 0.00 N ATOM 1291 CA ASP A 81 6.882 5.492 -15.505 1.00 0.00 C ATOM 1292 C ASP A 81 7.173 6.314 -14.230 1.00 0.00 C ATOM 1293 O ASP A 81 8.291 6.272 -13.709 1.00 0.00 O ATOM 1294 CB ASP A 81 7.822 5.926 -16.663 1.00 0.00 C ATOM 1295 CG ASP A 81 7.608 5.114 -17.952 1.00 0.00 C ATOM 1296 OD1 ASP A 81 6.650 5.415 -18.706 1.00 0.00 O ATOM 1297 OD2 ASP A 81 8.373 4.160 -18.207 1.00 0.00 O ATOM 0 H ASP A 81 5.308 6.374 -16.592 1.00 0.00 H new ATOM 0 HA ASP A 81 7.071 4.445 -15.267 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.662 6.983 -16.876 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.858 5.819 -16.341 1.00 0.00 H new ATOM 1302 N ASN A 82 6.149 7.066 -13.760 1.00 0.00 N ATOM 1303 CA ASN A 82 6.167 7.834 -12.486 1.00 0.00 C ATOM 1304 C ASN A 82 7.181 8.999 -12.548 1.00 0.00 C ATOM 1305 O ASN A 82 7.787 9.358 -11.529 1.00 0.00 O ATOM 1306 CB ASN A 82 6.443 6.898 -11.251 1.00 0.00 C ATOM 1307 CG ASN A 82 5.555 5.638 -11.137 1.00 0.00 C ATOM 1308 OD1 ASN A 82 5.882 4.719 -10.377 1.00 0.00 O ATOM 1309 ND2 ASN A 82 4.460 5.539 -11.895 1.00 0.00 N ATOM 0 H ASN A 82 5.268 7.159 -14.265 1.00 0.00 H new ATOM 0 HA ASN A 82 5.176 8.266 -12.351 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.485 6.580 -11.288 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.321 7.486 -10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.883 4.699 -11.851 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.200 6.304 -12.518 1.00 0.00 H new ATOM 1316 N ASP A 83 7.289 9.619 -13.740 1.00 0.00 N ATOM 1317 CA ASP A 83 8.328 10.627 -14.065 1.00 0.00 C ATOM 1318 C ASP A 83 8.340 11.841 -13.097 1.00 0.00 C ATOM 1319 O ASP A 83 7.277 12.315 -12.685 1.00 0.00 O ATOM 1320 CB ASP A 83 8.143 11.153 -15.514 1.00 0.00 C ATOM 1321 CG ASP A 83 8.322 10.070 -16.581 1.00 0.00 C ATOM 1322 OD1 ASP A 83 7.373 9.298 -16.800 1.00 0.00 O ATOM 1323 OD2 ASP A 83 9.405 9.999 -17.205 1.00 0.00 O ATOM 0 H ASP A 83 6.652 9.435 -14.515 1.00 0.00 H new ATOM 0 HA ASP A 83 9.281 10.109 -13.958 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.148 11.587 -15.611 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.859 11.954 -15.696 1.00 0.00 H new ATOM 1328 N PRO A 84 9.565 12.356 -12.729 1.00 0.00 N ATOM 1329 CA PRO A 84 9.717 13.644 -12.002 1.00 0.00 C ATOM 1330 C PRO A 84 9.679 14.870 -12.947 1.00 0.00 C ATOM 1331 O PRO A 84 9.823 16.006 -12.489 1.00 0.00 O ATOM 1332 CB PRO A 84 11.108 13.480 -11.358 1.00 0.00 C ATOM 1333 CG PRO A 84 11.884 12.698 -12.376 1.00 0.00 C ATOM 1334 CD PRO A 84 10.897 11.700 -12.947 1.00 0.00 C ATOM 0 HA PRO A 84 8.911 13.832 -11.293 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.572 14.446 -11.157 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.049 12.950 -10.407 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.280 13.350 -13.155 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.735 12.193 -11.919 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.083 11.512 -14.004 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.959 10.739 -12.437 1.00 0.00 H new ATOM 1342 N LEU A 85 9.496 14.602 -14.270 1.00 0.00 N ATOM 1343 CA LEU A 85 9.460 15.618 -15.355 1.00 0.00 C ATOM 1344 C LEU A 85 10.812 16.327 -15.539 1.00 0.00 C ATOM 1345 O LEU A 85 10.883 17.458 -16.041 1.00 0.00 O ATOM 1346 CB LEU A 85 8.300 16.631 -15.173 1.00 0.00 C ATOM 1347 CG LEU A 85 6.871 16.083 -15.456 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.368 15.153 -14.334 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.904 17.242 -15.714 1.00 0.00 C ATOM 0 H LEU A 85 9.367 13.652 -14.617 1.00 0.00 H new ATOM 0 HA LEU A 85 9.263 15.072 -16.277 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.328 17.007 -14.150 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.479 17.482 -15.831 1.00 0.00 H new ATOM 0 HG LEU A 85 6.919 15.469 -16.355 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.367 14.797 -14.578 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.042 14.302 -14.237 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.338 15.702 -13.393 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.907 16.847 -15.911 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.871 17.890 -14.838 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.244 17.815 -16.577 1.00 0.00 H new ATOM 1361 N LYS A 86 11.885 15.637 -15.150 1.00 0.00 N ATOM 1362 CA LYS A 86 13.265 16.112 -15.327 1.00 0.00 C ATOM 1363 C LYS A 86 13.673 15.903 -16.810 1.00 0.00 C ATOM 1364 O LYS A 86 14.020 16.888 -17.489 1.00 0.00 O ATOM 1365 CB LYS A 86 14.193 15.366 -14.314 1.00 0.00 C ATOM 1366 CG LYS A 86 15.694 15.802 -14.290 1.00 0.00 C ATOM 1367 CD LYS A 86 16.555 15.129 -15.392 1.00 0.00 C ATOM 1368 CE LYS A 86 18.030 15.556 -15.372 1.00 0.00 C ATOM 1369 NZ LYS A 86 18.789 14.966 -16.514 1.00 0.00 N ATOM 1370 OXT LYS A 86 13.576 14.751 -17.297 1.00 0.00 O ATOM 0 H LYS A 86 11.824 14.724 -14.699 1.00 0.00 H new ATOM 0 HA LYS A 86 13.359 17.177 -15.114 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.783 15.500 -13.313 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.151 14.299 -14.535 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.751 16.884 -14.407 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.117 15.564 -13.314 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.498 14.047 -15.275 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.131 15.367 -16.367 1.00 0.00 H new ATOM 0 HE2 LYS A 86 18.095 16.643 -15.414 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.486 15.246 -14.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.781 15.276 -16.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.747 13.928 -16.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 18.368 15.283 -17.411 1.00 0.00 H new TER 1384 LYS A 86