USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 645 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 44 SER OG : rot -115:sc= -0.0559 USER MOD Set 1.2: A 46 THR OG1 : rot 119:sc= 0.735 USER MOD Set 2.1: A 31 HIS : no HD1:sc= -0.292 K(o=0.99,f=-3.3!) USER MOD Set 2.2: A 59 THR OG1 : rot 89:sc= 1.28 USER MOD Set 3.1: A 21 ASN : amide:sc= 0.613 K(o=0.58,f=-6.2!) USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 101:sc= 0.213 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 23 ASN : amide:sc= 0.676 K(o=0.68,f=-0.098) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 0.988 (180deg=0.36) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -1.78! K(o=-1.8!,f=-0.78) USER MOD Single : A 43 HIS : no HD1:sc= 0.845 K(o=0.84,f=-2.6!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= 1.49 USER MOD Single : A 52 SER OG : rot 34:sc= 0.689 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00975 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -109:sc= 2.38 (180deg=0.125) USER MOD Single : A 64 HIS : no HE2:sc= 1.02 K(o=1,f=-6.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.81 K(o=-0.81,f=-0.079) USER MOD Single : A 81 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.025) USER MOD Single : A 82 HIS : no HD1:sc=-0.00106 X(o=-0.0011,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.051) USER MOD Single : A 84 HIS : no HE2:sc= -0.304 K(o=-0.3,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.614 -16.678 -10.724 1.00 0.00 N ATOM 2 CA MET A 1 51.059 -16.308 -9.406 1.00 0.00 C ATOM 3 C MET A 1 51.543 -17.268 -8.329 1.00 0.00 C ATOM 4 O MET A 1 51.239 -18.460 -8.355 1.00 0.00 O ATOM 5 CB MET A 1 49.528 -16.309 -9.451 1.00 0.00 C ATOM 6 CG MET A 1 48.881 -15.997 -8.110 1.00 0.00 C ATOM 7 SD MET A 1 47.080 -16.032 -8.178 1.00 0.00 S ATOM 8 CE MET A 1 46.674 -15.677 -6.469 1.00 0.00 C ATOM 0 H1 MET A 1 51.272 -16.011 -11.445 1.00 0.00 H new ATOM 0 H2 MET A 1 52.653 -16.643 -10.685 1.00 0.00 H new ATOM 0 H3 MET A 1 51.309 -17.641 -10.971 1.00 0.00 H new ATOM 0 HA MET A 1 51.407 -15.304 -9.163 1.00 0.00 H new ATOM 0 HB2 MET A 1 49.194 -15.577 -10.186 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.183 -17.285 -9.794 1.00 0.00 H new ATOM 0 HG2 MET A 1 49.226 -16.718 -7.369 1.00 0.00 H new ATOM 0 HG3 MET A 1 49.208 -15.013 -7.774 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.591 -15.664 -6.348 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.102 -16.446 -5.826 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.082 -14.705 -6.193 1.00 0.00 H new ATOM 20 N ALA A 2 52.321 -16.742 -7.402 1.00 0.00 N ATOM 21 CA ALA A 2 52.785 -17.508 -6.259 1.00 0.00 C ATOM 22 C ALA A 2 52.519 -16.738 -4.976 1.00 0.00 C ATOM 23 O ALA A 2 52.287 -17.324 -3.917 1.00 0.00 O ATOM 24 CB ALA A 2 54.267 -17.824 -6.394 1.00 0.00 C ATOM 0 H ALA A 2 52.648 -15.776 -7.419 1.00 0.00 H new ATOM 0 HA ALA A 2 52.238 -18.450 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 2 54.597 -18.398 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 2 54.434 -18.406 -7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.834 -16.895 -6.450 1.00 0.00 H new ATOM 30 N GLY A 3 52.543 -15.414 -5.084 1.00 0.00 N ATOM 31 CA GLY A 3 52.309 -14.566 -3.934 1.00 0.00 C ATOM 32 C GLY A 3 53.463 -13.619 -3.691 1.00 0.00 C ATOM 33 O GLY A 3 53.414 -12.454 -4.093 1.00 0.00 O ATOM 0 H GLY A 3 52.722 -14.912 -5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 3 51.394 -13.993 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 3 52.155 -15.186 -3.051 1.00 0.00 H new ATOM 37 N ASP A 4 54.499 -14.119 -3.039 1.00 0.00 N ATOM 38 CA ASP A 4 55.702 -13.340 -2.783 1.00 0.00 C ATOM 39 C ASP A 4 56.909 -14.042 -3.400 1.00 0.00 C ATOM 40 O ASP A 4 57.168 -15.212 -3.107 1.00 0.00 O ATOM 41 CB ASP A 4 55.897 -13.155 -1.276 1.00 0.00 C ATOM 42 CG ASP A 4 57.072 -12.260 -0.935 1.00 0.00 C ATOM 43 OD1 ASP A 4 56.925 -11.022 -1.022 1.00 0.00 O ATOM 44 OD2 ASP A 4 58.136 -12.791 -0.549 1.00 0.00 O ATOM 0 H ASP A 4 54.532 -15.071 -2.673 1.00 0.00 H new ATOM 0 HA ASP A 4 55.599 -12.355 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 4 54.989 -12.732 -0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 4 56.044 -14.130 -0.812 1.00 0.00 H new ATOM 49 N PRO A 5 57.645 -13.340 -4.279 1.00 0.00 N ATOM 50 CA PRO A 5 58.766 -13.918 -5.038 1.00 0.00 C ATOM 51 C PRO A 5 59.894 -14.441 -4.151 1.00 0.00 C ATOM 52 O PRO A 5 60.062 -14.009 -3.010 1.00 0.00 O ATOM 53 CB PRO A 5 59.267 -12.749 -5.896 1.00 0.00 C ATOM 54 CG PRO A 5 58.139 -11.779 -5.930 1.00 0.00 C ATOM 55 CD PRO A 5 57.441 -11.920 -4.608 1.00 0.00 C ATOM 0 HA PRO A 5 58.442 -14.786 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 5 60.161 -12.299 -5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 5 59.531 -13.082 -6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 5 58.502 -10.761 -6.074 1.00 0.00 H new ATOM 0 HG3 PRO A 5 57.461 -11.996 -6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 5 57.872 -11.264 -3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 5 56.383 -11.670 -4.681 1.00 0.00 H new ATOM 63 N LEU A 6 60.662 -15.381 -4.692 1.00 0.00 N ATOM 64 CA LEU A 6 61.778 -15.978 -3.972 1.00 0.00 C ATOM 65 C LEU A 6 63.028 -15.112 -4.113 1.00 0.00 C ATOM 66 O LEU A 6 63.257 -14.517 -5.166 1.00 0.00 O ATOM 67 CB LEU A 6 62.062 -17.386 -4.505 1.00 0.00 C ATOM 68 CG LEU A 6 60.916 -18.388 -4.351 1.00 0.00 C ATOM 69 CD1 LEU A 6 61.289 -19.719 -4.987 1.00 0.00 C ATOM 70 CD2 LEU A 6 60.567 -18.579 -2.881 1.00 0.00 C ATOM 0 H LEU A 6 60.529 -15.747 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 6 61.510 -16.043 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 6 62.318 -17.312 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 6 62.939 -17.781 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 6 60.039 -17.992 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 6 60.464 -20.422 -4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 6 61.492 -19.571 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 6 62.178 -20.119 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 6 59.750 -19.295 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 6 61.439 -18.955 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 6 60.262 -17.624 -2.453 1.00 0.00 H new ATOM 82 N PRO A 7 63.865 -15.056 -3.062 1.00 0.00 N ATOM 83 CA PRO A 7 65.070 -14.209 -3.028 1.00 0.00 C ATOM 84 C PRO A 7 66.194 -14.699 -3.949 1.00 0.00 C ATOM 85 O PRO A 7 67.355 -14.324 -3.772 1.00 0.00 O ATOM 86 CB PRO A 7 65.524 -14.275 -1.562 1.00 0.00 C ATOM 87 CG PRO A 7 64.394 -14.903 -0.817 1.00 0.00 C ATOM 88 CD PRO A 7 63.693 -15.788 -1.801 1.00 0.00 C ATOM 0 HA PRO A 7 64.844 -13.203 -3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 7 66.435 -14.864 -1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 7 65.743 -13.280 -1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 7 64.759 -15.478 0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 7 63.717 -14.145 -0.423 1.00 0.00 H new ATOM 0 HD2 PRO A 7 64.140 -16.781 -1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 7 62.641 -15.922 -1.549 1.00 0.00 H new ATOM 96 N LYS A 8 65.856 -15.534 -4.928 1.00 0.00 N ATOM 97 CA LYS A 8 66.824 -15.942 -5.941 1.00 0.00 C ATOM 98 C LYS A 8 67.144 -14.758 -6.835 1.00 0.00 C ATOM 99 O LYS A 8 68.258 -14.614 -7.340 1.00 0.00 O ATOM 100 CB LYS A 8 66.285 -17.091 -6.795 1.00 0.00 C ATOM 101 CG LYS A 8 66.158 -18.407 -6.055 1.00 0.00 C ATOM 102 CD LYS A 8 65.815 -19.536 -7.012 1.00 0.00 C ATOM 103 CE LYS A 8 65.818 -20.881 -6.311 1.00 0.00 C ATOM 104 NZ LYS A 8 65.660 -22.002 -7.271 1.00 0.00 N ATOM 0 H LYS A 8 64.926 -15.938 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 8 67.725 -16.287 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 8 65.307 -16.811 -7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 8 66.943 -17.231 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 8 67.093 -18.632 -5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 8 65.386 -18.326 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 8 64.834 -19.356 -7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 8 66.534 -19.550 -7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 8 66.751 -21.002 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 8 65.010 -20.912 -5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 65.667 -22.905 -6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 64.758 -21.900 -7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 66.445 -21.988 -7.954 1.00 0.00 H new ATOM 118 N TYR A 9 66.143 -13.914 -7.021 1.00 0.00 N ATOM 119 CA TYR A 9 66.295 -12.693 -7.782 1.00 0.00 C ATOM 120 C TYR A 9 66.097 -11.515 -6.846 1.00 0.00 C ATOM 121 O TYR A 9 65.165 -11.513 -6.044 1.00 0.00 O ATOM 122 CB TYR A 9 65.288 -12.651 -8.937 1.00 0.00 C ATOM 123 CG TYR A 9 65.363 -13.865 -9.838 1.00 0.00 C ATOM 124 CD1 TYR A 9 66.358 -13.979 -10.801 1.00 0.00 C ATOM 125 CD2 TYR A 9 64.448 -14.903 -9.716 1.00 0.00 C ATOM 126 CE1 TYR A 9 66.440 -15.093 -11.615 1.00 0.00 C ATOM 127 CE2 TYR A 9 64.521 -16.019 -10.527 1.00 0.00 C ATOM 128 CZ TYR A 9 65.519 -16.109 -11.473 1.00 0.00 C ATOM 129 OH TYR A 9 65.601 -17.225 -12.276 1.00 0.00 O ATOM 0 H TYR A 9 65.205 -14.059 -6.648 1.00 0.00 H new ATOM 0 HA TYR A 9 67.293 -12.648 -8.217 1.00 0.00 H new ATOM 0 HB2 TYR A 9 64.280 -12.571 -8.529 1.00 0.00 H new ATOM 0 HB3 TYR A 9 65.464 -11.754 -9.531 1.00 0.00 H new ATOM 0 HD1 TYR A 9 67.080 -13.184 -10.915 1.00 0.00 H new ATOM 0 HD2 TYR A 9 63.666 -14.836 -8.974 1.00 0.00 H new ATOM 0 HE1 TYR A 9 67.221 -15.167 -12.358 1.00 0.00 H new ATOM 0 HE2 TYR A 9 63.800 -16.816 -10.420 1.00 0.00 H new ATOM 0 HH TYR A 9 64.878 -17.846 -12.048 1.00 0.00 H new ATOM 139 N TRP A 10 66.985 -10.540 -6.932 1.00 0.00 N ATOM 140 CA TRP A 10 66.981 -9.415 -6.006 1.00 0.00 C ATOM 141 C TRP A 10 65.686 -8.619 -6.087 1.00 0.00 C ATOM 142 O TRP A 10 65.305 -8.134 -7.153 1.00 0.00 O ATOM 143 CB TRP A 10 68.177 -8.507 -6.273 1.00 0.00 C ATOM 144 CG TRP A 10 69.483 -9.142 -5.913 1.00 0.00 C ATOM 145 CD1 TRP A 10 70.100 -9.096 -4.700 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.327 -9.927 -6.765 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.280 -9.792 -4.745 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.443 -10.312 -6.002 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.251 -10.333 -8.099 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.473 -11.092 -6.526 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.273 -11.107 -8.619 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.371 -11.477 -7.835 1.00 0.00 C ATOM 0 H TRP A 10 67.722 -10.503 -7.636 1.00 0.00 H new ATOM 0 HA TRP A 10 67.056 -9.820 -4.997 1.00 0.00 H new ATOM 0 HB2 TRP A 10 68.191 -8.234 -7.328 1.00 0.00 H new ATOM 0 HB3 TRP A 10 68.059 -7.584 -5.706 1.00 0.00 H new ATOM 0 HD1 TRP A 10 69.716 -8.586 -3.829 1.00 0.00 H new ATOM 0 HE1 TRP A 10 71.931 -9.905 -3.968 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.410 -10.048 -8.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 73.320 -11.381 -5.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 71.222 -11.431 -9.648 1.00 0.00 H new ATOM 0 HH2 TRP A 10 73.154 -12.079 -8.272 1.00 0.00 H new ATOM 163 N SER A 11 65.022 -8.490 -4.946 1.00 0.00 N ATOM 164 CA SER A 11 63.766 -7.763 -4.855 1.00 0.00 C ATOM 165 C SER A 11 64.004 -6.262 -5.014 1.00 0.00 C ATOM 166 O SER A 11 63.162 -5.536 -5.543 1.00 0.00 O ATOM 167 CB SER A 11 63.106 -8.042 -3.502 1.00 0.00 C ATOM 168 OG SER A 11 63.185 -9.419 -3.166 1.00 0.00 O ATOM 0 H SER A 11 65.339 -8.886 -4.061 1.00 0.00 H new ATOM 0 HA SER A 11 63.108 -8.099 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 11 63.592 -7.448 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 11 62.061 -7.732 -3.533 1.00 0.00 H new ATOM 0 HG SER A 11 63.909 -9.557 -2.520 1.00 0.00 H new ATOM 174 N TYR A 12 65.168 -5.810 -4.564 1.00 0.00 N ATOM 175 CA TYR A 12 65.502 -4.394 -4.587 1.00 0.00 C ATOM 176 C TYR A 12 66.451 -4.083 -5.741 1.00 0.00 C ATOM 177 O TYR A 12 67.411 -4.817 -5.980 1.00 0.00 O ATOM 178 CB TYR A 12 66.136 -3.973 -3.255 1.00 0.00 C ATOM 179 CG TYR A 12 65.192 -4.023 -2.070 1.00 0.00 C ATOM 180 CD1 TYR A 12 64.610 -5.217 -1.662 1.00 0.00 C ATOM 181 CD2 TYR A 12 64.889 -2.872 -1.357 1.00 0.00 C ATOM 182 CE1 TYR A 12 63.751 -5.261 -0.581 1.00 0.00 C ATOM 183 CE2 TYR A 12 64.033 -2.909 -0.272 1.00 0.00 C ATOM 184 CZ TYR A 12 63.467 -4.106 0.111 1.00 0.00 C ATOM 185 OH TYR A 12 62.616 -4.149 1.193 1.00 0.00 O ATOM 0 H TYR A 12 65.899 -6.408 -4.177 1.00 0.00 H new ATOM 0 HA TYR A 12 64.582 -3.829 -4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 12 66.989 -4.620 -3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 12 66.522 -2.958 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 12 64.833 -6.127 -2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 12 65.329 -1.932 -1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 12 63.305 -6.197 -0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 12 63.809 -2.004 0.273 1.00 0.00 H new ATOM 0 HH TYR A 12 62.522 -3.250 1.571 1.00 0.00 H new ATOM 195 N PRO A 13 66.178 -3.002 -6.486 1.00 0.00 N ATOM 196 CA PRO A 13 67.007 -2.580 -7.615 1.00 0.00 C ATOM 197 C PRO A 13 68.186 -1.698 -7.194 1.00 0.00 C ATOM 198 O PRO A 13 68.363 -1.394 -6.011 1.00 0.00 O ATOM 199 CB PRO A 13 66.020 -1.784 -8.464 1.00 0.00 C ATOM 200 CG PRO A 13 65.079 -1.173 -7.480 1.00 0.00 C ATOM 201 CD PRO A 13 65.016 -2.111 -6.300 1.00 0.00 C ATOM 0 HA PRO A 13 67.470 -3.424 -8.126 1.00 0.00 H new ATOM 0 HB2 PRO A 13 66.529 -1.020 -9.051 1.00 0.00 H new ATOM 0 HB3 PRO A 13 65.493 -2.429 -9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 13 65.427 -0.187 -7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 13 64.091 -1.039 -7.921 1.00 0.00 H new ATOM 0 HD2 PRO A 13 65.076 -1.569 -5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 13 64.082 -2.672 -6.286 1.00 0.00 H new ATOM 209 N VAL A 14 68.986 -1.284 -8.172 1.00 0.00 N ATOM 210 CA VAL A 14 70.131 -0.418 -7.912 1.00 0.00 C ATOM 211 C VAL A 14 69.711 1.048 -7.987 1.00 0.00 C ATOM 212 O VAL A 14 68.902 1.428 -8.837 1.00 0.00 O ATOM 213 CB VAL A 14 71.277 -0.670 -8.921 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.476 0.223 -8.624 1.00 0.00 C ATOM 215 CG2 VAL A 14 71.692 -2.133 -8.908 1.00 0.00 C ATOM 0 H VAL A 14 68.862 -1.535 -9.153 1.00 0.00 H new ATOM 0 HA VAL A 14 70.495 -0.650 -6.911 1.00 0.00 H new ATOM 0 HB VAL A 14 70.906 -0.422 -9.916 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.266 0.024 -9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.176 1.269 -8.691 1.00 0.00 H new ATOM 0 HG13 VAL A 14 72.844 0.015 -7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 14 72.499 -2.289 -9.624 1.00 0.00 H new ATOM 0 HG22 VAL A 14 72.035 -2.405 -7.910 1.00 0.00 H new ATOM 0 HG23 VAL A 14 70.840 -2.755 -9.181 1.00 0.00 H new ATOM 225 N GLY A 15 70.249 1.863 -7.090 1.00 0.00 N ATOM 226 CA GLY A 15 69.932 3.275 -7.094 1.00 0.00 C ATOM 227 C GLY A 15 68.722 3.583 -6.243 1.00 0.00 C ATOM 228 O GLY A 15 68.170 4.683 -6.305 1.00 0.00 O ATOM 0 H GLY A 15 70.899 1.571 -6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.788 3.840 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.749 3.603 -8.117 1.00 0.00 H new ATOM 232 N LEU A 16 68.306 2.606 -5.452 1.00 0.00 N ATOM 233 CA LEU A 16 67.170 2.777 -4.564 1.00 0.00 C ATOM 234 C LEU A 16 67.639 3.260 -3.200 1.00 0.00 C ATOM 235 O LEU A 16 68.540 2.669 -2.599 1.00 0.00 O ATOM 236 CB LEU A 16 66.396 1.462 -4.419 1.00 0.00 C ATOM 237 CG LEU A 16 65.148 1.537 -3.534 1.00 0.00 C ATOM 238 CD1 LEU A 16 64.126 2.499 -4.123 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.540 0.156 -3.352 1.00 0.00 C ATOM 0 H LEU A 16 68.741 1.684 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 16 66.505 3.525 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 16 66.099 1.122 -5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 16 67.067 0.706 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 16 65.445 1.914 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.248 2.537 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.564 3.494 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 16 63.833 2.156 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.654 0.229 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 16 64.260 -0.249 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 16 65.269 -0.503 -2.880 1.00 0.00 H new ATOM 251 N ALA A 17 67.043 4.346 -2.732 1.00 0.00 N ATOM 252 CA ALA A 17 67.367 4.891 -1.426 1.00 0.00 C ATOM 253 C ALA A 17 66.618 4.135 -0.337 1.00 0.00 C ATOM 254 O ALA A 17 65.406 3.927 -0.431 1.00 0.00 O ATOM 255 CB ALA A 17 67.040 6.375 -1.376 1.00 0.00 C ATOM 0 H ALA A 17 66.330 4.868 -3.241 1.00 0.00 H new ATOM 0 HA ALA A 17 68.436 4.771 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.288 6.769 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.620 6.901 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 17 65.977 6.520 -1.567 1.00 0.00 H new ATOM 261 N VAL A 18 67.344 3.719 0.688 1.00 0.00 N ATOM 262 CA VAL A 18 66.770 2.928 1.767 1.00 0.00 C ATOM 263 C VAL A 18 67.328 3.373 3.114 1.00 0.00 C ATOM 264 O VAL A 18 68.431 3.915 3.188 1.00 0.00 O ATOM 265 CB VAL A 18 67.057 1.415 1.584 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.342 0.860 0.361 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.555 1.159 1.482 1.00 0.00 C ATOM 0 H VAL A 18 68.339 3.917 0.796 1.00 0.00 H new ATOM 0 HA VAL A 18 65.692 3.088 1.739 1.00 0.00 H new ATOM 0 HB VAL A 18 66.673 0.898 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.564 -0.203 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.267 0.997 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.683 1.387 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.734 0.091 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 18 68.959 1.700 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 18 69.046 1.502 2.393 1.00 0.00 H new ATOM 277 N GLU A 19 66.558 3.170 4.167 1.00 0.00 N ATOM 278 CA GLU A 19 67.043 3.411 5.515 1.00 0.00 C ATOM 279 C GLU A 19 67.272 2.084 6.219 1.00 0.00 C ATOM 280 O GLU A 19 66.592 1.097 5.928 1.00 0.00 O ATOM 281 CB GLU A 19 66.060 4.264 6.322 1.00 0.00 C ATOM 282 CG GLU A 19 65.927 5.692 5.818 1.00 0.00 C ATOM 283 CD GLU A 19 65.187 6.592 6.791 1.00 0.00 C ATOM 284 OE1 GLU A 19 65.831 7.141 7.710 1.00 0.00 O ATOM 285 OE2 GLU A 19 63.959 6.761 6.649 1.00 0.00 O ATOM 0 H GLU A 19 65.595 2.839 4.116 1.00 0.00 H new ATOM 0 HA GLU A 19 67.982 3.960 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 19 65.079 3.789 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 19 66.382 4.285 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 19 66.920 6.102 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 19 65.402 5.688 4.863 1.00 0.00 H new ATOM 292 N ILE A 20 68.238 2.054 7.125 1.00 0.00 N ATOM 293 CA ILE A 20 68.508 0.857 7.904 1.00 0.00 C ATOM 294 C ILE A 20 67.340 0.591 8.848 1.00 0.00 C ATOM 295 O ILE A 20 66.935 1.469 9.616 1.00 0.00 O ATOM 296 CB ILE A 20 69.837 0.957 8.701 1.00 0.00 C ATOM 297 CG1 ILE A 20 71.052 0.796 7.774 1.00 0.00 C ATOM 298 CG2 ILE A 20 69.887 -0.091 9.806 1.00 0.00 C ATOM 299 CD1 ILE A 20 71.261 1.936 6.797 1.00 0.00 C ATOM 0 H ILE A 20 68.847 2.844 7.338 1.00 0.00 H new ATOM 0 HA ILE A 20 68.620 0.025 7.209 1.00 0.00 H new ATOM 0 HB ILE A 20 69.874 1.948 9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.948 0.692 8.387 1.00 0.00 H new ATOM 0 HG13 ILE A 20 70.942 -0.131 7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 20 70.827 -0.001 10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 20 69.054 0.064 10.492 1.00 0.00 H new ATOM 0 HG23 ILE A 20 69.815 -1.086 9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 20 72.141 1.734 6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.386 2.029 6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.407 2.865 7.348 1.00 0.00 H new ATOM 311 N ASN A 21 66.795 -0.611 8.766 1.00 0.00 N ATOM 312 CA ASN A 21 65.570 -0.956 9.473 1.00 0.00 C ATOM 313 C ASN A 21 65.831 -1.183 10.959 1.00 0.00 C ATOM 314 O ASN A 21 66.977 -1.347 11.384 1.00 0.00 O ATOM 315 CB ASN A 21 64.945 -2.201 8.838 1.00 0.00 C ATOM 316 CG ASN A 21 63.430 -2.173 8.872 1.00 0.00 C ATOM 317 OD1 ASN A 21 62.820 -1.734 9.846 1.00 0.00 O ATOM 318 ND2 ASN A 21 62.813 -2.623 7.790 1.00 0.00 N ATOM 0 H ASN A 21 67.185 -1.373 8.211 1.00 0.00 H new ATOM 0 HA ASN A 21 64.874 -0.121 9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 21 65.280 -2.285 7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 21 65.300 -3.089 9.361 1.00 0.00 H new ATOM 0 HD21 ASN A 21 61.794 -2.614 7.743 1.00 0.00 H new ATOM 0 HD22 ASN A 21 63.357 -2.979 7.004 1.00 0.00 H new ATOM 325 N ASN A 22 64.755 -1.224 11.737 1.00 0.00 N ATOM 326 CA ASN A 22 64.838 -1.316 13.195 1.00 0.00 C ATOM 327 C ASN A 22 65.112 -2.743 13.658 1.00 0.00 C ATOM 328 O ASN A 22 64.736 -3.141 14.763 1.00 0.00 O ATOM 329 CB ASN A 22 63.538 -0.806 13.824 1.00 0.00 C ATOM 330 CG ASN A 22 63.330 0.683 13.620 1.00 0.00 C ATOM 331 OD1 ASN A 22 64.283 1.456 13.581 1.00 0.00 O ATOM 332 ND2 ASN A 22 62.081 1.092 13.478 1.00 0.00 N ATOM 0 H ASN A 22 63.801 -1.195 11.378 1.00 0.00 H new ATOM 0 HA ASN A 22 65.673 -0.695 13.520 1.00 0.00 H new ATOM 0 HB2 ASN A 22 62.695 -1.348 13.395 1.00 0.00 H new ATOM 0 HB3 ASN A 22 63.547 -1.024 14.892 1.00 0.00 H new ATOM 0 HD21 ASN A 22 61.882 2.081 13.330 1.00 0.00 H new ATOM 0 HD22 ASN A 22 61.316 0.418 13.517 1.00 0.00 H new ATOM 339 N ASN A 23 65.792 -3.499 12.818 1.00 0.00 N ATOM 340 CA ASN A 23 66.145 -4.874 13.134 1.00 0.00 C ATOM 341 C ASN A 23 67.662 -5.037 13.143 1.00 0.00 C ATOM 342 O ASN A 23 68.199 -5.915 13.817 1.00 0.00 O ATOM 343 CB ASN A 23 65.508 -5.835 12.124 1.00 0.00 C ATOM 344 CG ASN A 23 65.714 -7.294 12.493 1.00 0.00 C ATOM 345 OD1 ASN A 23 64.933 -7.867 13.252 1.00 0.00 O ATOM 346 ND2 ASN A 23 66.747 -7.908 11.941 1.00 0.00 N ATOM 0 H ASN A 23 66.114 -3.183 11.903 1.00 0.00 H new ATOM 0 HA ASN A 23 65.762 -5.115 14.126 1.00 0.00 H new ATOM 0 HB2 ASN A 23 64.440 -5.629 12.056 1.00 0.00 H new ATOM 0 HB3 ASN A 23 65.931 -5.651 11.137 1.00 0.00 H new ATOM 0 HD21 ASN A 23 66.920 -8.893 12.139 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.371 -7.396 11.317 1.00 0.00 H new ATOM 353 N ALA A 24 68.350 -4.144 12.435 1.00 0.00 N ATOM 354 CA ALA A 24 69.803 -4.210 12.296 1.00 0.00 C ATOM 355 C ALA A 24 70.513 -3.675 13.538 1.00 0.00 C ATOM 356 O ALA A 24 71.597 -3.099 13.451 1.00 0.00 O ATOM 357 CB ALA A 24 70.238 -3.438 11.061 1.00 0.00 C ATOM 0 H ALA A 24 67.920 -3.360 11.945 1.00 0.00 H new ATOM 0 HA ALA A 24 70.085 -5.257 12.185 1.00 0.00 H new ATOM 0 HB1 ALA A 24 71.322 -3.491 10.962 1.00 0.00 H new ATOM 0 HB2 ALA A 24 69.772 -3.873 10.177 1.00 0.00 H new ATOM 0 HB3 ALA A 24 69.932 -2.396 11.157 1.00 0.00 H new ATOM 363 N ARG A 25 69.902 -3.884 14.697 1.00 0.00 N ATOM 364 CA ARG A 25 70.522 -3.525 15.961 1.00 0.00 C ATOM 365 C ARG A 25 71.441 -4.662 16.391 1.00 0.00 C ATOM 366 O ARG A 25 72.243 -4.527 17.315 1.00 0.00 O ATOM 367 CB ARG A 25 69.454 -3.255 17.028 1.00 0.00 C ATOM 368 CG ARG A 25 69.949 -2.410 18.196 1.00 0.00 C ATOM 369 CD ARG A 25 68.828 -2.110 19.182 1.00 0.00 C ATOM 370 NE ARG A 25 69.189 -1.049 20.128 1.00 0.00 N ATOM 371 CZ ARG A 25 68.298 -0.317 20.801 1.00 0.00 C ATOM 372 NH1 ARG A 25 67.001 -0.582 20.698 1.00 0.00 N ATOM 373 NH2 ARG A 25 68.713 0.662 21.599 1.00 0.00 N ATOM 0 H ARG A 25 68.976 -4.301 14.785 1.00 0.00 H new ATOM 0 HA ARG A 25 71.104 -2.611 15.840 1.00 0.00 H new ATOM 0 HB2 ARG A 25 68.607 -2.752 16.561 1.00 0.00 H new ATOM 0 HB3 ARG A 25 69.088 -4.208 17.411 1.00 0.00 H new ATOM 0 HG2 ARG A 25 70.756 -2.933 18.709 1.00 0.00 H new ATOM 0 HG3 ARG A 25 70.364 -1.475 17.820 1.00 0.00 H new ATOM 0 HD2 ARG A 25 67.933 -1.816 18.633 1.00 0.00 H new ATOM 0 HD3 ARG A 25 68.580 -3.017 19.734 1.00 0.00 H new ATOM 0 HE ARG A 25 70.179 -0.859 20.281 1.00 0.00 H new ATOM 0 HH11 ARG A 25 66.682 -1.347 20.103 1.00 0.00 H new ATOM 0 HH12 ARG A 25 66.323 -0.021 21.214 1.00 0.00 H new ATOM 0 HH21 ARG A 25 69.710 0.853 21.696 1.00 0.00 H new ATOM 0 HH22 ARG A 25 68.034 1.223 22.114 1.00 0.00 H new ATOM 387 N TYR A 26 71.306 -5.783 15.698 1.00 0.00 N ATOM 388 CA TYR A 26 72.164 -6.934 15.909 1.00 0.00 C ATOM 389 C TYR A 26 73.420 -6.784 15.065 1.00 0.00 C ATOM 390 O TYR A 26 73.342 -6.571 13.856 1.00 0.00 O ATOM 391 CB TYR A 26 71.431 -8.227 15.537 1.00 0.00 C ATOM 392 CG TYR A 26 70.188 -8.485 16.363 1.00 0.00 C ATOM 393 CD1 TYR A 26 68.971 -7.907 16.023 1.00 0.00 C ATOM 394 CD2 TYR A 26 70.233 -9.305 17.482 1.00 0.00 C ATOM 395 CE1 TYR A 26 67.835 -8.138 16.775 1.00 0.00 C ATOM 396 CE2 TYR A 26 69.101 -9.543 18.237 1.00 0.00 C ATOM 397 CZ TYR A 26 67.905 -8.956 17.881 1.00 0.00 C ATOM 398 OH TYR A 26 66.776 -9.192 18.636 1.00 0.00 O ATOM 0 H TYR A 26 70.599 -5.918 14.975 1.00 0.00 H new ATOM 0 HA TYR A 26 72.436 -6.988 16.963 1.00 0.00 H new ATOM 0 HB2 TYR A 26 71.154 -8.186 14.484 1.00 0.00 H new ATOM 0 HB3 TYR A 26 72.115 -9.068 15.654 1.00 0.00 H new ATOM 0 HD1 TYR A 26 68.912 -7.266 15.156 1.00 0.00 H new ATOM 0 HD2 TYR A 26 71.168 -9.764 17.767 1.00 0.00 H new ATOM 0 HE1 TYR A 26 66.897 -7.680 16.497 1.00 0.00 H new ATOM 0 HE2 TYR A 26 69.152 -10.186 19.103 1.00 0.00 H new ATOM 0 HH TYR A 26 66.999 -9.791 19.379 1.00 0.00 H new ATOM 408 N GLY A 27 74.572 -6.864 15.705 1.00 0.00 N ATOM 409 CA GLY A 27 75.823 -6.680 15.001 1.00 0.00 C ATOM 410 C GLY A 27 76.297 -5.244 15.066 1.00 0.00 C ATOM 411 O GLY A 27 77.407 -4.969 15.521 1.00 0.00 O ATOM 0 H GLY A 27 74.665 -7.054 16.703 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.582 -7.333 15.431 1.00 0.00 H new ATOM 0 HA3 GLY A 27 75.701 -6.976 13.959 1.00 0.00 H new ATOM 415 N CYS A 28 75.453 -4.327 14.613 1.00 0.00 N ATOM 416 CA CYS A 28 75.764 -2.907 14.678 1.00 0.00 C ATOM 417 C CYS A 28 74.665 -2.161 15.430 1.00 0.00 C ATOM 418 O CYS A 28 73.756 -1.594 14.824 1.00 0.00 O ATOM 419 CB CYS A 28 75.936 -2.330 13.273 1.00 0.00 C ATOM 420 SG CYS A 28 77.224 -3.145 12.300 1.00 0.00 S ATOM 0 H CYS A 28 74.547 -4.542 14.196 1.00 0.00 H new ATOM 0 HA CYS A 28 76.703 -2.782 15.217 1.00 0.00 H new ATOM 0 HB2 CYS A 28 74.988 -2.407 12.740 1.00 0.00 H new ATOM 0 HB3 CYS A 28 76.171 -1.269 13.353 1.00 0.00 H new ATOM 0 HG CYS A 28 77.296 -2.592 11.126 1.00 0.00 H new ATOM 426 N PRO A 29 74.749 -2.139 16.770 1.00 0.00 N ATOM 427 CA PRO A 29 73.680 -1.617 17.629 1.00 0.00 C ATOM 428 C PRO A 29 73.624 -0.094 17.678 1.00 0.00 C ATOM 429 O PRO A 29 73.253 0.494 18.691 1.00 0.00 O ATOM 430 CB PRO A 29 74.036 -2.190 19.001 1.00 0.00 C ATOM 431 CG PRO A 29 75.520 -2.318 18.980 1.00 0.00 C ATOM 432 CD PRO A 29 75.896 -2.632 17.558 1.00 0.00 C ATOM 0 HA PRO A 29 72.694 -1.903 17.262 1.00 0.00 H new ATOM 0 HB2 PRO A 29 73.706 -1.531 19.804 1.00 0.00 H new ATOM 0 HB3 PRO A 29 73.557 -3.155 19.164 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.995 -1.395 19.313 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.852 -3.108 19.654 1.00 0.00 H new ATOM 0 HD2 PRO A 29 76.822 -2.134 17.270 1.00 0.00 H new ATOM 0 HD3 PRO A 29 76.051 -3.701 17.412 1.00 0.00 H new ATOM 440 N HIS A 30 73.951 0.532 16.565 1.00 0.00 N ATOM 441 CA HIS A 30 73.908 1.987 16.459 1.00 0.00 C ATOM 442 C HIS A 30 73.991 2.423 15.002 1.00 0.00 C ATOM 443 O HIS A 30 74.452 3.514 14.691 1.00 0.00 O ATOM 444 CB HIS A 30 75.028 2.645 17.292 1.00 0.00 C ATOM 445 CG HIS A 30 76.423 2.342 16.827 1.00 0.00 C ATOM 446 ND1 HIS A 30 77.319 3.320 16.453 1.00 0.00 N ATOM 447 CD2 HIS A 30 77.080 1.165 16.697 1.00 0.00 C ATOM 448 CE1 HIS A 30 78.464 2.759 16.113 1.00 0.00 C ATOM 449 NE2 HIS A 30 78.344 1.454 16.254 1.00 0.00 N ATOM 0 H HIS A 30 74.252 0.058 15.714 1.00 0.00 H new ATOM 0 HA HIS A 30 72.953 2.322 16.865 1.00 0.00 H new ATOM 0 HB2 HIS A 30 74.883 3.725 17.280 1.00 0.00 H new ATOM 0 HB3 HIS A 30 74.928 2.322 18.328 1.00 0.00 H new ATOM 0 HD2 HIS A 30 76.682 0.182 16.904 1.00 0.00 H new ATOM 0 HE1 HIS A 30 79.348 3.280 15.777 1.00 0.00 H new ATOM 0 HE2 HIS A 30 79.075 0.769 16.064 1.00 0.00 H new ATOM 458 N HIS A 31 73.521 1.558 14.118 1.00 0.00 N ATOM 459 CA HIS A 31 73.469 1.872 12.692 1.00 0.00 C ATOM 460 C HIS A 31 72.006 2.000 12.270 1.00 0.00 C ATOM 461 O HIS A 31 71.690 2.210 11.104 1.00 0.00 O ATOM 462 CB HIS A 31 74.179 0.779 11.872 1.00 0.00 C ATOM 463 CG HIS A 31 74.704 1.239 10.535 1.00 0.00 C ATOM 464 ND1 HIS A 31 76.028 1.118 10.162 1.00 0.00 N ATOM 465 CD2 HIS A 31 74.076 1.803 9.474 1.00 0.00 C ATOM 466 CE1 HIS A 31 76.184 1.587 8.938 1.00 0.00 C ATOM 467 NE2 HIS A 31 75.018 2.008 8.497 1.00 0.00 N ATOM 0 H HIS A 31 73.169 0.631 14.359 1.00 0.00 H new ATOM 0 HA HIS A 31 73.985 2.814 12.505 1.00 0.00 H new ATOM 0 HB2 HIS A 31 75.010 0.385 12.458 1.00 0.00 H new ATOM 0 HB3 HIS A 31 73.484 -0.045 11.711 1.00 0.00 H new ATOM 0 HD2 HIS A 31 73.026 2.047 9.409 1.00 0.00 H new ATOM 0 HE1 HIS A 31 77.114 1.620 8.390 1.00 0.00 H new ATOM 0 HE2 HIS A 31 74.843 2.419 7.580 1.00 0.00 H new ATOM 476 N VAL A 32 71.119 1.881 13.250 1.00 0.00 N ATOM 477 CA VAL A 32 69.683 1.928 13.007 1.00 0.00 C ATOM 478 C VAL A 32 69.207 3.372 12.887 1.00 0.00 C ATOM 479 O VAL A 32 69.560 4.218 13.711 1.00 0.00 O ATOM 480 CB VAL A 32 68.909 1.229 14.146 1.00 0.00 C ATOM 481 CG1 VAL A 32 67.417 1.206 13.857 1.00 0.00 C ATOM 482 CG2 VAL A 32 69.434 -0.181 14.363 1.00 0.00 C ATOM 0 H VAL A 32 71.372 1.750 14.229 1.00 0.00 H new ATOM 0 HA VAL A 32 69.488 1.404 12.071 1.00 0.00 H new ATOM 0 HB VAL A 32 69.066 1.800 15.061 1.00 0.00 H new ATOM 0 HG11 VAL A 32 66.896 0.708 14.675 1.00 0.00 H new ATOM 0 HG12 VAL A 32 67.049 2.228 13.761 1.00 0.00 H new ATOM 0 HG13 VAL A 32 67.235 0.666 12.928 1.00 0.00 H new ATOM 0 HG21 VAL A 32 68.876 -0.657 15.169 1.00 0.00 H new ATOM 0 HG22 VAL A 32 69.313 -0.759 13.447 1.00 0.00 H new ATOM 0 HG23 VAL A 32 70.490 -0.139 14.628 1.00 0.00 H new ATOM 492 N GLY A 33 68.405 3.648 11.862 1.00 0.00 N ATOM 493 CA GLY A 33 67.938 5.004 11.630 1.00 0.00 C ATOM 494 C GLY A 33 68.847 5.753 10.678 1.00 0.00 C ATOM 495 O GLY A 33 68.741 6.970 10.518 1.00 0.00 O ATOM 0 H GLY A 33 68.071 2.958 11.189 1.00 0.00 H new ATOM 0 HA2 GLY A 33 66.927 4.976 11.223 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.885 5.538 12.579 1.00 0.00 H new ATOM 499 N ARG A 34 69.744 5.015 10.050 1.00 0.00 N ATOM 500 CA ARG A 34 70.703 5.586 9.122 1.00 0.00 C ATOM 501 C ARG A 34 70.167 5.483 7.698 1.00 0.00 C ATOM 502 O ARG A 34 69.474 4.521 7.365 1.00 0.00 O ATOM 503 CB ARG A 34 72.025 4.831 9.247 1.00 0.00 C ATOM 504 CG ARG A 34 73.215 5.544 8.639 1.00 0.00 C ATOM 505 CD ARG A 34 73.561 6.806 9.406 1.00 0.00 C ATOM 506 NE ARG A 34 74.924 7.244 9.127 1.00 0.00 N ATOM 507 CZ ARG A 34 75.399 8.448 9.423 1.00 0.00 C ATOM 508 NH1 ARG A 34 74.611 9.369 9.965 1.00 0.00 N ATOM 509 NH2 ARG A 34 76.666 8.727 9.168 1.00 0.00 N ATOM 0 H ARG A 34 69.828 4.005 10.168 1.00 0.00 H new ATOM 0 HA ARG A 34 70.865 6.638 9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 34 72.227 4.649 10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 34 71.919 3.856 8.770 1.00 0.00 H new ATOM 0 HG2 ARG A 34 74.076 4.875 8.631 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.997 5.796 7.601 1.00 0.00 H new ATOM 0 HD2 ARG A 34 72.861 7.598 9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 34 73.447 6.626 10.475 1.00 0.00 H new ATOM 0 HE ARG A 34 75.554 6.582 8.675 1.00 0.00 H new ATOM 0 HH11 ARG A 34 73.633 9.154 10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 34 74.984 10.291 10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 34 77.269 8.020 8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 34 77.040 9.649 9.392 1.00 0.00 H new ATOM 523 N LYS A 35 70.469 6.470 6.867 1.00 0.00 N ATOM 524 CA LYS A 35 70.008 6.467 5.485 1.00 0.00 C ATOM 525 C LYS A 35 71.121 6.022 4.547 1.00 0.00 C ATOM 526 O LYS A 35 72.300 6.235 4.829 1.00 0.00 O ATOM 527 CB LYS A 35 69.508 7.859 5.096 1.00 0.00 C ATOM 528 CG LYS A 35 68.286 8.292 5.884 1.00 0.00 C ATOM 529 CD LYS A 35 68.004 9.775 5.736 1.00 0.00 C ATOM 530 CE LYS A 35 66.804 10.187 6.575 1.00 0.00 C ATOM 531 NZ LYS A 35 66.872 9.621 7.951 1.00 0.00 N ATOM 0 H LYS A 35 71.030 7.282 7.124 1.00 0.00 H new ATOM 0 HA LYS A 35 69.184 5.759 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 35 70.308 8.583 5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 35 69.270 7.869 4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 35 67.419 7.724 5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 35 68.433 8.055 6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 35 68.880 10.348 6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 35 67.818 10.011 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 35 66.756 11.274 6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 35 65.888 9.852 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 66.168 10.092 8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 66.672 8.601 7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 67.823 9.775 8.343 1.00 0.00 H new ATOM 545 N GLY A 36 70.740 5.393 3.442 1.00 0.00 N ATOM 546 CA GLY A 36 71.708 4.944 2.464 1.00 0.00 C ATOM 547 C GLY A 36 71.071 4.641 1.120 1.00 0.00 C ATOM 548 O GLY A 36 69.887 4.916 0.907 1.00 0.00 O ATOM 0 H GLY A 36 69.770 5.185 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.474 5.709 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.209 4.050 2.836 1.00 0.00 H new ATOM 552 N LYS A 37 71.853 4.076 0.212 1.00 0.00 N ATOM 553 CA LYS A 37 71.368 3.731 -1.117 1.00 0.00 C ATOM 554 C LYS A 37 72.033 2.450 -1.614 1.00 0.00 C ATOM 555 O LYS A 37 73.232 2.251 -1.418 1.00 0.00 O ATOM 556 CB LYS A 37 71.641 4.885 -2.088 1.00 0.00 C ATOM 557 CG LYS A 37 71.206 4.605 -3.518 1.00 0.00 C ATOM 558 CD LYS A 37 71.341 5.837 -4.399 1.00 0.00 C ATOM 559 CE LYS A 37 70.395 6.942 -3.958 1.00 0.00 C ATOM 560 NZ LYS A 37 70.515 8.151 -4.810 1.00 0.00 N ATOM 0 H LYS A 37 72.833 3.845 0.373 1.00 0.00 H new ATOM 0 HA LYS A 37 70.293 3.560 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 37 71.126 5.777 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 37 72.708 5.108 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 37 71.809 3.796 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 37 70.170 4.266 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 37 72.368 6.200 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 37 71.133 5.570 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 37 69.369 6.575 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 37 70.605 7.207 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 69.853 8.879 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 71.487 8.517 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 70.289 7.905 -5.795 1.00 0.00 H new ATOM 574 N ILE A 38 71.251 1.585 -2.243 1.00 0.00 N ATOM 575 CA ILE A 38 71.765 0.328 -2.772 1.00 0.00 C ATOM 576 C ILE A 38 72.567 0.573 -4.045 1.00 0.00 C ATOM 577 O ILE A 38 72.042 1.111 -5.025 1.00 0.00 O ATOM 578 CB ILE A 38 70.620 -0.660 -3.069 1.00 0.00 C ATOM 579 CG1 ILE A 38 69.785 -0.893 -1.807 1.00 0.00 C ATOM 580 CG2 ILE A 38 71.173 -1.977 -3.599 1.00 0.00 C ATOM 581 CD1 ILE A 38 68.577 -1.772 -2.033 1.00 0.00 C ATOM 0 H ILE A 38 70.254 1.731 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 38 72.415 -0.108 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 38 69.977 -0.229 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 38 70.416 -1.347 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 38 69.455 0.070 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.350 -2.662 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 38 71.729 -1.794 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 38 71.836 -2.419 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 38 68.034 -1.893 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 38 67.924 -1.310 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 38 68.900 -2.749 -2.393 1.00 0.00 H new ATOM 593 N ILE A 39 73.836 0.183 -4.026 1.00 0.00 N ATOM 594 CA ILE A 39 74.726 0.439 -5.152 1.00 0.00 C ATOM 595 C ILE A 39 75.323 -0.848 -5.720 1.00 0.00 C ATOM 596 O ILE A 39 76.092 -0.804 -6.679 1.00 0.00 O ATOM 597 CB ILE A 39 75.879 1.392 -4.760 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.664 0.826 -3.570 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.337 2.780 -4.442 1.00 0.00 C ATOM 600 CD1 ILE A 39 77.884 1.644 -3.196 1.00 0.00 C ATOM 0 H ILE A 39 74.271 -0.310 -3.246 1.00 0.00 H new ATOM 0 HA ILE A 39 74.110 0.909 -5.918 1.00 0.00 H new ATOM 0 HB ILE A 39 76.561 1.478 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 39 76.002 0.764 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 39 76.978 -0.191 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.161 3.438 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 39 74.828 3.181 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 39 74.634 2.715 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.386 1.181 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.568 1.686 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 39 77.576 2.655 -2.928 1.00 0.00 H new ATOM 612 N GLU A 40 74.978 -1.989 -5.130 1.00 0.00 N ATOM 613 CA GLU A 40 75.509 -3.269 -5.594 1.00 0.00 C ATOM 614 C GLU A 40 74.642 -4.425 -5.104 1.00 0.00 C ATOM 615 O GLU A 40 73.927 -4.302 -4.105 1.00 0.00 O ATOM 616 CB GLU A 40 76.953 -3.455 -5.114 1.00 0.00 C ATOM 617 CG GLU A 40 77.940 -3.784 -6.227 1.00 0.00 C ATOM 618 CD GLU A 40 77.824 -5.212 -6.722 1.00 0.00 C ATOM 619 OE1 GLU A 40 76.843 -5.529 -7.427 1.00 0.00 O ATOM 620 OE2 GLU A 40 78.714 -6.028 -6.394 1.00 0.00 O ATOM 0 H GLU A 40 74.340 -2.055 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 40 75.497 -3.265 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.278 -2.544 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.978 -4.254 -4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 40 77.778 -3.102 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.954 -3.612 -5.867 1.00 0.00 H new ATOM 627 N HIS A 41 74.717 -5.545 -5.812 1.00 0.00 N ATOM 628 CA HIS A 41 73.949 -6.735 -5.468 1.00 0.00 C ATOM 629 C HIS A 41 74.865 -7.814 -4.911 1.00 0.00 C ATOM 630 O HIS A 41 75.873 -8.160 -5.521 1.00 0.00 O ATOM 631 CB HIS A 41 73.211 -7.292 -6.688 1.00 0.00 C ATOM 632 CG HIS A 41 72.085 -6.436 -7.178 1.00 0.00 C ATOM 633 ND1 HIS A 41 70.964 -6.161 -6.427 1.00 0.00 N ATOM 634 CD2 HIS A 41 71.903 -5.808 -8.362 1.00 0.00 C ATOM 635 CE1 HIS A 41 70.142 -5.405 -7.128 1.00 0.00 C ATOM 636 NE2 HIS A 41 70.686 -5.176 -8.305 1.00 0.00 N ATOM 0 H HIS A 41 75.308 -5.654 -6.636 1.00 0.00 H new ATOM 0 HA HIS A 41 73.217 -6.445 -4.714 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.927 -7.428 -7.499 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.819 -8.279 -6.440 1.00 0.00 H new ATOM 0 HD1 HIS A 41 70.796 -6.491 -5.477 1.00 0.00 H new ATOM 0 HD2 HIS A 41 72.588 -5.805 -9.197 1.00 0.00 H new ATOM 0 HE1 HIS A 41 69.184 -5.036 -6.793 1.00 0.00 H new ATOM 645 N LEU A 42 74.506 -8.347 -3.760 1.00 0.00 N ATOM 646 CA LEU A 42 75.273 -9.411 -3.135 1.00 0.00 C ATOM 647 C LEU A 42 74.375 -10.611 -2.886 1.00 0.00 C ATOM 648 O LEU A 42 73.158 -10.524 -3.037 1.00 0.00 O ATOM 649 CB LEU A 42 75.864 -8.929 -1.805 1.00 0.00 C ATOM 650 CG LEU A 42 76.851 -7.767 -1.908 1.00 0.00 C ATOM 651 CD1 LEU A 42 77.154 -7.206 -0.528 1.00 0.00 C ATOM 652 CD2 LEU A 42 78.132 -8.221 -2.586 1.00 0.00 C ATOM 0 H LEU A 42 73.681 -8.059 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 42 76.087 -9.696 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 42 75.045 -8.631 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.367 -9.769 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 42 76.398 -6.980 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.858 -6.379 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.232 -6.849 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.589 -7.987 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.825 -7.383 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.587 -9.023 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.904 -8.584 -3.588 1.00 0.00 H new ATOM 664 N HIS A 43 74.966 -11.728 -2.530 1.00 0.00 N ATOM 665 CA HIS A 43 74.204 -12.872 -2.078 1.00 0.00 C ATOM 666 C HIS A 43 75.051 -13.673 -1.114 1.00 0.00 C ATOM 667 O HIS A 43 75.883 -14.490 -1.517 1.00 0.00 O ATOM 668 CB HIS A 43 73.725 -13.736 -3.245 1.00 0.00 C ATOM 669 CG HIS A 43 72.259 -14.038 -3.179 1.00 0.00 C ATOM 670 ND1 HIS A 43 71.748 -15.246 -2.755 1.00 0.00 N ATOM 671 CD2 HIS A 43 71.185 -13.269 -3.484 1.00 0.00 C ATOM 672 CE1 HIS A 43 70.431 -15.206 -2.802 1.00 0.00 C ATOM 673 NE2 HIS A 43 70.065 -14.020 -3.241 1.00 0.00 N ATOM 0 H HIS A 43 75.976 -11.870 -2.544 1.00 0.00 H new ATOM 0 HA HIS A 43 73.307 -12.519 -1.569 1.00 0.00 H new ATOM 0 HB2 HIS A 43 73.945 -13.226 -4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 43 74.284 -14.672 -3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 43 71.208 -12.253 -3.850 1.00 0.00 H new ATOM 0 HE1 HIS A 43 69.765 -16.010 -2.527 1.00 0.00 H new ATOM 0 HE2 HIS A 43 69.103 -13.710 -3.378 1.00 0.00 H new ATOM 682 N SER A 44 74.854 -13.396 0.157 1.00 0.00 N ATOM 683 CA SER A 44 75.674 -13.956 1.207 1.00 0.00 C ATOM 684 C SER A 44 74.811 -14.258 2.421 1.00 0.00 C ATOM 685 O SER A 44 73.660 -13.834 2.491 1.00 0.00 O ATOM 686 CB SER A 44 76.801 -12.972 1.555 1.00 0.00 C ATOM 687 OG SER A 44 77.615 -13.458 2.606 1.00 0.00 O ATOM 0 H SER A 44 74.118 -12.774 0.491 1.00 0.00 H new ATOM 0 HA SER A 44 76.126 -14.889 0.871 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.415 -12.795 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.371 -12.013 1.842 1.00 0.00 H new ATOM 0 HG SER A 44 77.528 -12.871 3.386 1.00 0.00 H new ATOM 693 N ALA A 45 75.367 -14.978 3.378 1.00 0.00 N ATOM 694 CA ALA A 45 74.617 -15.391 4.551 1.00 0.00 C ATOM 695 C ALA A 45 74.515 -14.246 5.545 1.00 0.00 C ATOM 696 O ALA A 45 73.784 -14.324 6.532 1.00 0.00 O ATOM 697 CB ALA A 45 75.264 -16.604 5.198 1.00 0.00 C ATOM 0 H ALA A 45 76.338 -15.290 3.366 1.00 0.00 H new ATOM 0 HA ALA A 45 73.610 -15.667 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 45 74.688 -16.899 6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 45 75.287 -17.428 4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 45 76.282 -16.356 5.499 1.00 0.00 H new ATOM 703 N THR A 46 75.243 -13.178 5.268 1.00 0.00 N ATOM 704 CA THR A 46 75.248 -12.022 6.136 1.00 0.00 C ATOM 705 C THR A 46 74.531 -10.843 5.488 1.00 0.00 C ATOM 706 O THR A 46 73.832 -10.087 6.159 1.00 0.00 O ATOM 707 CB THR A 46 76.689 -11.623 6.497 1.00 0.00 C ATOM 708 OG1 THR A 46 77.538 -11.803 5.356 1.00 0.00 O ATOM 709 CG2 THR A 46 77.208 -12.451 7.663 1.00 0.00 C ATOM 0 H THR A 46 75.839 -13.091 4.445 1.00 0.00 H new ATOM 0 HA THR A 46 74.714 -12.291 7.048 1.00 0.00 H new ATOM 0 HB THR A 46 76.693 -10.575 6.795 1.00 0.00 H new ATOM 0 HG1 THR A 46 77.926 -10.941 5.098 1.00 0.00 H new ATOM 0 HG21 THR A 46 78.229 -12.149 7.898 1.00 0.00 H new ATOM 0 HG22 THR A 46 76.573 -12.291 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 46 77.195 -13.507 7.394 1.00 0.00 H new ATOM 717 N TYR A 47 74.678 -10.708 4.175 1.00 0.00 N ATOM 718 CA TYR A 47 74.113 -9.562 3.467 1.00 0.00 C ATOM 719 C TYR A 47 73.929 -9.845 1.981 1.00 0.00 C ATOM 720 O TYR A 47 74.677 -10.630 1.400 1.00 0.00 O ATOM 721 CB TYR A 47 74.994 -8.326 3.668 1.00 0.00 C ATOM 722 CG TYR A 47 76.477 -8.610 3.797 1.00 0.00 C ATOM 723 CD1 TYR A 47 77.221 -9.101 2.730 1.00 0.00 C ATOM 724 CD2 TYR A 47 77.136 -8.371 4.998 1.00 0.00 C ATOM 725 CE1 TYR A 47 78.576 -9.347 2.858 1.00 0.00 C ATOM 726 CE2 TYR A 47 78.488 -8.612 5.132 1.00 0.00 C ATOM 727 CZ TYR A 47 79.204 -9.100 4.062 1.00 0.00 C ATOM 728 OH TYR A 47 80.554 -9.340 4.197 1.00 0.00 O ATOM 0 H TYR A 47 75.179 -11.370 3.582 1.00 0.00 H new ATOM 0 HA TYR A 47 73.126 -9.371 3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 47 74.841 -7.649 2.828 1.00 0.00 H new ATOM 0 HB3 TYR A 47 74.660 -7.803 4.564 1.00 0.00 H new ATOM 0 HD1 TYR A 47 76.733 -9.293 1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 47 76.579 -7.990 5.841 1.00 0.00 H new ATOM 0 HE1 TYR A 47 79.140 -9.730 2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 47 78.983 -8.419 6.072 1.00 0.00 H new ATOM 0 HH TYR A 47 80.837 -9.112 5.107 1.00 0.00 H new ATOM 738 N ASP A 48 72.922 -9.211 1.370 1.00 0.00 N ATOM 739 CA ASP A 48 72.654 -9.416 -0.052 1.00 0.00 C ATOM 740 C ASP A 48 72.652 -8.093 -0.817 1.00 0.00 C ATOM 741 O ASP A 48 72.385 -8.062 -2.020 1.00 0.00 O ATOM 742 CB ASP A 48 71.311 -10.123 -0.256 1.00 0.00 C ATOM 743 CG ASP A 48 71.237 -11.458 0.452 1.00 0.00 C ATOM 744 OD1 ASP A 48 72.055 -12.346 0.147 1.00 0.00 O ATOM 745 OD2 ASP A 48 70.361 -11.618 1.331 1.00 0.00 O ATOM 0 H ASP A 48 72.288 -8.560 1.834 1.00 0.00 H new ATOM 0 HA ASP A 48 73.455 -10.043 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.509 -9.480 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 48 71.143 -10.273 -1.322 1.00 0.00 H new ATOM 750 N TYR A 49 72.941 -6.998 -0.130 1.00 0.00 N ATOM 751 CA TYR A 49 72.938 -5.684 -0.764 1.00 0.00 C ATOM 752 C TYR A 49 74.057 -4.810 -0.212 1.00 0.00 C ATOM 753 O TYR A 49 74.356 -4.848 0.982 1.00 0.00 O ATOM 754 CB TYR A 49 71.588 -4.982 -0.558 1.00 0.00 C ATOM 755 CG TYR A 49 70.423 -5.683 -1.224 1.00 0.00 C ATOM 756 CD1 TYR A 49 69.717 -6.678 -0.562 1.00 0.00 C ATOM 757 CD2 TYR A 49 70.032 -5.351 -2.515 1.00 0.00 C ATOM 758 CE1 TYR A 49 68.658 -7.326 -1.169 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.972 -5.992 -3.127 1.00 0.00 C ATOM 760 CZ TYR A 49 68.290 -6.979 -2.450 1.00 0.00 C ATOM 761 OH TYR A 49 67.232 -7.620 -3.057 1.00 0.00 O ATOM 0 H TYR A 49 73.180 -6.990 0.862 1.00 0.00 H new ATOM 0 HA TYR A 49 73.101 -5.833 -1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.389 -4.905 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.656 -3.965 -0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.000 -6.950 0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 49 70.566 -4.579 -3.049 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.122 -8.101 -0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 49 68.680 -5.721 -4.131 1.00 0.00 H new ATOM 0 HH TYR A 49 66.586 -7.901 -2.376 1.00 0.00 H new ATOM 771 N ALA A 50 74.679 -4.036 -1.088 1.00 0.00 N ATOM 772 CA ALA A 50 75.699 -3.085 -0.678 1.00 0.00 C ATOM 773 C ALA A 50 75.104 -1.689 -0.635 1.00 0.00 C ATOM 774 O ALA A 50 74.750 -1.121 -1.671 1.00 0.00 O ATOM 775 CB ALA A 50 76.893 -3.139 -1.618 1.00 0.00 C ATOM 0 H ALA A 50 74.494 -4.049 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 50 76.052 -3.348 0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.645 -2.420 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.321 -4.141 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.571 -2.895 -2.630 1.00 0.00 H new ATOM 781 N VAL A 51 74.974 -1.154 0.564 1.00 0.00 N ATOM 782 CA VAL A 51 74.323 0.126 0.767 1.00 0.00 C ATOM 783 C VAL A 51 75.344 1.203 1.094 1.00 0.00 C ATOM 784 O VAL A 51 76.134 1.060 2.023 1.00 0.00 O ATOM 785 CB VAL A 51 73.282 0.036 1.907 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.596 1.373 2.131 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.257 -1.044 1.606 1.00 0.00 C ATOM 0 H VAL A 51 75.315 -1.591 1.420 1.00 0.00 H new ATOM 0 HA VAL A 51 73.813 0.391 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 51 73.809 -0.228 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.870 1.279 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.340 2.123 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 51 72.085 1.678 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.532 -1.094 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.743 -0.808 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.760 -2.006 1.509 1.00 0.00 H new ATOM 797 N SER A 52 75.351 2.265 0.311 1.00 0.00 N ATOM 798 CA SER A 52 76.194 3.403 0.602 1.00 0.00 C ATOM 799 C SER A 52 75.454 4.346 1.537 1.00 0.00 C ATOM 800 O SER A 52 74.453 4.952 1.147 1.00 0.00 O ATOM 801 CB SER A 52 76.593 4.123 -0.690 1.00 0.00 C ATOM 802 OG SER A 52 75.449 4.571 -1.400 1.00 0.00 O ATOM 0 H SER A 52 74.782 2.361 -0.530 1.00 0.00 H new ATOM 0 HA SER A 52 77.108 3.061 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 52 77.234 4.973 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 52 77.175 3.450 -1.320 1.00 0.00 H new ATOM 0 HG SER A 52 74.748 4.824 -0.764 1.00 0.00 H new ATOM 808 N ASP A 53 75.930 4.438 2.768 1.00 0.00 N ATOM 809 CA ASP A 53 75.325 5.307 3.771 1.00 0.00 C ATOM 810 C ASP A 53 75.325 6.759 3.311 1.00 0.00 C ATOM 811 O ASP A 53 76.034 7.132 2.376 1.00 0.00 O ATOM 812 CB ASP A 53 76.083 5.205 5.098 1.00 0.00 C ATOM 813 CG ASP A 53 75.788 3.923 5.858 1.00 0.00 C ATOM 814 OD1 ASP A 53 76.402 2.884 5.557 1.00 0.00 O ATOM 815 OD2 ASP A 53 74.958 3.965 6.784 1.00 0.00 O ATOM 0 H ASP A 53 76.741 3.917 3.101 1.00 0.00 H new ATOM 0 HA ASP A 53 74.295 4.978 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 53 77.154 5.266 4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.824 6.059 5.724 1.00 0.00 H new ATOM 820 N GLU A 54 74.534 7.569 3.997 1.00 0.00 N ATOM 821 CA GLU A 54 74.380 8.986 3.677 1.00 0.00 C ATOM 822 C GLU A 54 75.701 9.756 3.794 1.00 0.00 C ATOM 823 O GLU A 54 75.796 10.906 3.363 1.00 0.00 O ATOM 824 CB GLU A 54 73.315 9.608 4.587 1.00 0.00 C ATOM 825 CG GLU A 54 73.569 9.387 6.072 1.00 0.00 C ATOM 826 CD GLU A 54 72.431 9.887 6.940 1.00 0.00 C ATOM 827 OE1 GLU A 54 72.338 11.115 7.149 1.00 0.00 O ATOM 828 OE2 GLU A 54 71.627 9.057 7.415 1.00 0.00 O ATOM 0 H GLU A 54 73.977 7.264 4.795 1.00 0.00 H new ATOM 0 HA GLU A 54 74.062 9.059 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.265 10.679 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.342 9.191 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 54 73.721 8.324 6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 54 74.490 9.895 6.359 1.00 0.00 H new ATOM 835 N THR A 55 76.711 9.123 4.374 1.00 0.00 N ATOM 836 CA THR A 55 78.026 9.734 4.501 1.00 0.00 C ATOM 837 C THR A 55 79.020 9.153 3.495 1.00 0.00 C ATOM 838 O THR A 55 80.187 9.546 3.466 1.00 0.00 O ATOM 839 CB THR A 55 78.573 9.552 5.924 1.00 0.00 C ATOM 840 OG1 THR A 55 78.356 8.202 6.361 1.00 0.00 O ATOM 841 CG2 THR A 55 77.902 10.522 6.883 1.00 0.00 C ATOM 0 H THR A 55 76.644 8.183 4.765 1.00 0.00 H new ATOM 0 HA THR A 55 77.907 10.797 4.291 1.00 0.00 H new ATOM 0 HB THR A 55 79.643 9.759 5.914 1.00 0.00 H new ATOM 0 HG1 THR A 55 78.708 8.091 7.269 1.00 0.00 H new ATOM 0 HG21 THR A 55 78.303 10.378 7.886 1.00 0.00 H new ATOM 0 HG22 THR A 55 78.094 11.545 6.559 1.00 0.00 H new ATOM 0 HG23 THR A 55 76.827 10.340 6.892 1.00 0.00 H new ATOM 849 N GLY A 56 78.557 8.222 2.669 1.00 0.00 N ATOM 850 CA GLY A 56 79.426 7.609 1.676 1.00 0.00 C ATOM 851 C GLY A 56 80.119 6.363 2.195 1.00 0.00 C ATOM 852 O GLY A 56 81.058 5.855 1.577 1.00 0.00 O ATOM 0 H GLY A 56 77.596 7.879 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 56 78.839 7.353 0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.177 8.333 1.360 1.00 0.00 H new ATOM 856 N ASP A 57 79.658 5.871 3.334 1.00 0.00 N ATOM 857 CA ASP A 57 80.220 4.669 3.942 1.00 0.00 C ATOM 858 C ASP A 57 79.528 3.437 3.370 1.00 0.00 C ATOM 859 O ASP A 57 78.322 3.294 3.489 1.00 0.00 O ATOM 860 CB ASP A 57 80.045 4.731 5.466 1.00 0.00 C ATOM 861 CG ASP A 57 80.771 3.623 6.207 1.00 0.00 C ATOM 862 OD1 ASP A 57 81.611 2.927 5.595 1.00 0.00 O ATOM 863 OD2 ASP A 57 80.532 3.465 7.426 1.00 0.00 O ATOM 0 H ASP A 57 78.891 6.287 3.862 1.00 0.00 H new ATOM 0 HA ASP A 57 81.285 4.607 3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 57 80.406 5.694 5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 57 78.982 4.680 5.704 1.00 0.00 H new ATOM 868 N ILE A 58 80.283 2.565 2.725 1.00 0.00 N ATOM 869 CA ILE A 58 79.698 1.392 2.085 1.00 0.00 C ATOM 870 C ILE A 58 79.491 0.271 3.099 1.00 0.00 C ATOM 871 O ILE A 58 80.450 -0.367 3.540 1.00 0.00 O ATOM 872 CB ILE A 58 80.575 0.881 0.920 1.00 0.00 C ATOM 873 CG1 ILE A 58 80.788 1.995 -0.110 1.00 0.00 C ATOM 874 CG2 ILE A 58 79.933 -0.337 0.263 1.00 0.00 C ATOM 875 CD1 ILE A 58 81.705 1.605 -1.250 1.00 0.00 C ATOM 0 H ILE A 58 81.295 2.643 2.629 1.00 0.00 H new ATOM 0 HA ILE A 58 78.732 1.695 1.680 1.00 0.00 H new ATOM 0 HB ILE A 58 81.545 0.585 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 58 79.821 2.290 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 58 81.201 2.869 0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 58 80.564 -0.684 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 58 79.824 -1.133 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 58 78.951 -0.066 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 58 81.807 2.444 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 58 82.685 1.339 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 58 81.284 0.751 -1.780 1.00 0.00 H new ATOM 887 N THR A 59 78.243 0.037 3.466 1.00 0.00 N ATOM 888 CA THR A 59 77.916 -0.985 4.437 1.00 0.00 C ATOM 889 C THR A 59 76.975 -2.009 3.809 1.00 0.00 C ATOM 890 O THR A 59 76.065 -1.655 3.061 1.00 0.00 O ATOM 891 CB THR A 59 77.267 -0.366 5.690 1.00 0.00 C ATOM 892 OG1 THR A 59 77.975 0.825 6.062 1.00 0.00 O ATOM 893 CG2 THR A 59 77.298 -1.349 6.851 1.00 0.00 C ATOM 0 H THR A 59 77.437 0.546 3.102 1.00 0.00 H new ATOM 0 HA THR A 59 78.837 -1.481 4.743 1.00 0.00 H new ATOM 0 HB THR A 59 76.230 -0.125 5.458 1.00 0.00 H new ATOM 0 HG1 THR A 59 77.588 1.595 5.595 1.00 0.00 H new ATOM 0 HG21 THR A 59 76.835 -0.893 7.726 1.00 0.00 H new ATOM 0 HG22 THR A 59 76.750 -2.251 6.579 1.00 0.00 H new ATOM 0 HG23 THR A 59 78.331 -1.608 7.081 1.00 0.00 H new ATOM 901 N TYR A 60 77.206 -3.276 4.092 1.00 0.00 N ATOM 902 CA TYR A 60 76.444 -4.336 3.457 1.00 0.00 C ATOM 903 C TYR A 60 75.315 -4.801 4.369 1.00 0.00 C ATOM 904 O TYR A 60 75.518 -4.991 5.567 1.00 0.00 O ATOM 905 CB TYR A 60 77.363 -5.509 3.121 1.00 0.00 C ATOM 906 CG TYR A 60 78.737 -5.098 2.643 1.00 0.00 C ATOM 907 CD1 TYR A 60 78.949 -4.662 1.341 1.00 0.00 C ATOM 908 CD2 TYR A 60 79.827 -5.149 3.502 1.00 0.00 C ATOM 909 CE1 TYR A 60 80.209 -4.289 0.910 1.00 0.00 C ATOM 910 CE2 TYR A 60 81.087 -4.779 3.080 1.00 0.00 C ATOM 911 CZ TYR A 60 81.274 -4.350 1.785 1.00 0.00 C ATOM 912 OH TYR A 60 82.534 -3.987 1.366 1.00 0.00 O ATOM 0 H TYR A 60 77.912 -3.597 4.755 1.00 0.00 H new ATOM 0 HA TYR A 60 76.009 -3.949 2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.470 -6.138 4.005 1.00 0.00 H new ATOM 0 HB3 TYR A 60 76.890 -6.119 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 60 78.117 -4.614 0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 60 79.686 -5.484 4.519 1.00 0.00 H new ATOM 0 HE1 TYR A 60 80.358 -3.952 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 60 81.923 -4.826 3.762 1.00 0.00 H new ATOM 0 HH TYR A 60 83.167 -4.088 2.107 1.00 0.00 H new ATOM 922 N PHE A 61 74.131 -4.978 3.797 1.00 0.00 N ATOM 923 CA PHE A 61 72.960 -5.409 4.555 1.00 0.00 C ATOM 924 C PHE A 61 72.120 -6.379 3.734 1.00 0.00 C ATOM 925 O PHE A 61 72.353 -6.563 2.540 1.00 0.00 O ATOM 926 CB PHE A 61 72.088 -4.208 4.946 1.00 0.00 C ATOM 927 CG PHE A 61 72.716 -3.278 5.944 1.00 0.00 C ATOM 928 CD1 PHE A 61 72.705 -3.587 7.296 1.00 0.00 C ATOM 929 CD2 PHE A 61 73.303 -2.090 5.536 1.00 0.00 C ATOM 930 CE1 PHE A 61 73.271 -2.730 8.221 1.00 0.00 C ATOM 931 CE2 PHE A 61 73.871 -1.231 6.456 1.00 0.00 C ATOM 932 CZ PHE A 61 73.853 -1.552 7.800 1.00 0.00 C ATOM 0 H PHE A 61 73.954 -4.829 2.804 1.00 0.00 H new ATOM 0 HA PHE A 61 73.317 -5.905 5.458 1.00 0.00 H new ATOM 0 HB2 PHE A 61 71.845 -3.644 4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 61 71.147 -4.577 5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 61 72.249 -4.507 7.630 1.00 0.00 H new ATOM 0 HD2 PHE A 61 73.316 -1.834 4.487 1.00 0.00 H new ATOM 0 HE1 PHE A 61 73.258 -2.982 9.271 1.00 0.00 H new ATOM 0 HE2 PHE A 61 74.328 -0.310 6.126 1.00 0.00 H new ATOM 0 HZ PHE A 61 74.295 -0.880 8.521 1.00 0.00 H new ATOM 942 N LYS A 62 71.157 -7.014 4.380 1.00 0.00 N ATOM 943 CA LYS A 62 70.158 -7.793 3.672 1.00 0.00 C ATOM 944 C LYS A 62 68.913 -6.947 3.486 1.00 0.00 C ATOM 945 O LYS A 62 68.692 -5.996 4.233 1.00 0.00 O ATOM 946 CB LYS A 62 69.811 -9.081 4.425 1.00 0.00 C ATOM 947 CG LYS A 62 70.818 -10.200 4.221 1.00 0.00 C ATOM 948 CD LYS A 62 70.403 -11.467 4.952 1.00 0.00 C ATOM 949 CE LYS A 62 71.354 -12.619 4.659 1.00 0.00 C ATOM 950 NZ LYS A 62 71.216 -13.129 3.267 1.00 0.00 N ATOM 0 H LYS A 62 71.046 -7.005 5.394 1.00 0.00 H new ATOM 0 HA LYS A 62 70.564 -8.080 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 62 69.738 -8.860 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 62 68.828 -9.426 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 62 70.919 -10.410 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 62 71.797 -9.878 4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 62 70.379 -11.278 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 62 69.392 -11.745 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 62 72.380 -12.290 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 62 71.164 -13.431 5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 70.768 -14.068 3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 70.627 -12.474 2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 72.157 -13.202 2.829 1.00 0.00 H new ATOM 964 N GLU A 63 68.108 -7.286 2.493 1.00 0.00 N ATOM 965 CA GLU A 63 66.884 -6.529 2.206 1.00 0.00 C ATOM 966 C GLU A 63 65.908 -6.522 3.387 1.00 0.00 C ATOM 967 O GLU A 63 65.043 -5.652 3.480 1.00 0.00 O ATOM 968 CB GLU A 63 66.189 -7.070 0.958 1.00 0.00 C ATOM 969 CG GLU A 63 65.999 -8.575 0.948 1.00 0.00 C ATOM 970 CD GLU A 63 65.159 -9.034 -0.224 1.00 0.00 C ATOM 971 OE1 GLU A 63 65.513 -8.708 -1.378 1.00 0.00 O ATOM 972 OE2 GLU A 63 64.131 -9.698 0.010 1.00 0.00 O ATOM 0 H GLU A 63 68.272 -8.076 1.870 1.00 0.00 H new ATOM 0 HA GLU A 63 67.191 -5.498 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.214 -6.592 0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 63 66.769 -6.784 0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 63 66.973 -9.063 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 63 65.524 -8.886 1.878 1.00 0.00 H new ATOM 979 N HIS A 64 66.051 -7.489 4.286 1.00 0.00 N ATOM 980 CA HIS A 64 65.221 -7.552 5.487 1.00 0.00 C ATOM 981 C HIS A 64 65.587 -6.422 6.453 1.00 0.00 C ATOM 982 O HIS A 64 64.775 -6.017 7.290 1.00 0.00 O ATOM 983 CB HIS A 64 65.395 -8.916 6.175 1.00 0.00 C ATOM 984 CG HIS A 64 64.566 -9.097 7.414 1.00 0.00 C ATOM 985 ND1 HIS A 64 65.063 -8.910 8.685 1.00 0.00 N ATOM 986 CD2 HIS A 64 63.272 -9.466 7.573 1.00 0.00 C ATOM 987 CE1 HIS A 64 64.118 -9.155 9.569 1.00 0.00 C ATOM 988 NE2 HIS A 64 63.022 -9.494 8.922 1.00 0.00 N ATOM 0 H HIS A 64 66.735 -8.242 4.207 1.00 0.00 H new ATOM 0 HA HIS A 64 64.177 -7.432 5.196 1.00 0.00 H new ATOM 0 HB2 HIS A 64 65.141 -9.703 5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 64 66.446 -9.047 6.433 1.00 0.00 H new ATOM 0 HD1 HIS A 64 66.017 -8.625 8.907 1.00 0.00 H new ATOM 0 HD2 HIS A 64 62.569 -9.695 6.786 1.00 0.00 H new ATOM 0 HE1 HIS A 64 64.224 -9.089 10.642 1.00 0.00 H new ATOM 997 N GLU A 65 66.801 -5.901 6.313 1.00 0.00 N ATOM 998 CA GLU A 65 67.307 -4.876 7.216 1.00 0.00 C ATOM 999 C GLU A 65 67.178 -3.492 6.588 1.00 0.00 C ATOM 1000 O GLU A 65 67.782 -2.529 7.064 1.00 0.00 O ATOM 1001 CB GLU A 65 68.779 -5.137 7.558 1.00 0.00 C ATOM 1002 CG GLU A 65 69.071 -6.554 8.031 1.00 0.00 C ATOM 1003 CD GLU A 65 68.137 -7.007 9.132 1.00 0.00 C ATOM 1004 OE1 GLU A 65 68.098 -6.357 10.193 1.00 0.00 O ATOM 1005 OE2 GLU A 65 67.438 -8.019 8.934 1.00 0.00 O ATOM 0 H GLU A 65 67.455 -6.174 5.579 1.00 0.00 H new ATOM 0 HA GLU A 65 66.711 -4.914 8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 65 69.387 -4.928 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 65 69.089 -4.437 8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 65 68.989 -7.238 7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 65 70.100 -6.609 8.387 1.00 0.00 H new ATOM 1012 N LEU A 66 66.383 -3.385 5.533 1.00 0.00 N ATOM 1013 CA LEU A 66 66.266 -2.132 4.803 1.00 0.00 C ATOM 1014 C LEU A 66 64.810 -1.709 4.657 1.00 0.00 C ATOM 1015 O LEU A 66 63.923 -2.545 4.471 1.00 0.00 O ATOM 1016 CB LEU A 66 66.909 -2.265 3.420 1.00 0.00 C ATOM 1017 CG LEU A 66 68.403 -2.604 3.422 1.00 0.00 C ATOM 1018 CD1 LEU A 66 68.899 -2.829 2.003 1.00 0.00 C ATOM 1019 CD2 LEU A 66 69.203 -1.497 4.097 1.00 0.00 C ATOM 0 H LEU A 66 65.813 -4.146 5.165 1.00 0.00 H new ATOM 0 HA LEU A 66 66.788 -1.364 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 66 66.379 -3.038 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 66 66.766 -1.329 2.880 1.00 0.00 H new ATOM 0 HG LEU A 66 68.545 -3.525 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 66 69.962 -3.069 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.349 -3.655 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.742 -1.925 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 66 70.262 -1.756 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.054 -0.561 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.866 -1.381 5.127 1.00 0.00 H new ATOM 1031 N THR A 67 64.577 -0.411 4.762 1.00 0.00 N ATOM 1032 CA THR A 67 63.267 0.166 4.511 1.00 0.00 C ATOM 1033 C THR A 67 63.350 1.103 3.304 1.00 0.00 C ATOM 1034 O THR A 67 64.127 2.057 3.311 1.00 0.00 O ATOM 1035 CB THR A 67 62.752 0.948 5.737 1.00 0.00 C ATOM 1036 OG1 THR A 67 62.832 0.136 6.908 1.00 0.00 O ATOM 1037 CG2 THR A 67 61.315 1.405 5.534 1.00 0.00 C ATOM 0 H THR A 67 65.289 0.271 5.023 1.00 0.00 H new ATOM 0 HA THR A 67 62.568 -0.646 4.310 1.00 0.00 H new ATOM 0 HB THR A 67 63.382 1.829 5.859 1.00 0.00 H new ATOM 0 HG1 THR A 67 62.504 0.642 7.680 1.00 0.00 H new ATOM 0 HG21 THR A 67 60.980 1.953 6.414 1.00 0.00 H new ATOM 0 HG22 THR A 67 61.260 2.054 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 67 60.675 0.536 5.382 1.00 0.00 H new ATOM 1045 N PRO A 68 62.569 0.830 2.248 1.00 0.00 N ATOM 1046 CA PRO A 68 62.613 1.607 1.007 1.00 0.00 C ATOM 1047 C PRO A 68 62.031 3.006 1.170 1.00 0.00 C ATOM 1048 O PRO A 68 60.946 3.178 1.727 1.00 0.00 O ATOM 1049 CB PRO A 68 61.760 0.794 0.022 1.00 0.00 C ATOM 1050 CG PRO A 68 61.463 -0.501 0.704 1.00 0.00 C ATOM 1051 CD PRO A 68 61.573 -0.242 2.178 1.00 0.00 C ATOM 0 HA PRO A 68 63.640 1.758 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 68 60.840 1.324 -0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 68 62.295 0.629 -0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 68 60.465 -0.855 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 68 62.166 -1.274 0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 68 60.619 0.064 2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 68 61.896 -1.130 2.721 1.00 0.00 H new ATOM 1059 N LEU A 69 62.759 4.003 0.681 1.00 0.00 N ATOM 1060 CA LEU A 69 62.274 5.375 0.694 1.00 0.00 C ATOM 1061 C LEU A 69 61.326 5.604 -0.475 1.00 0.00 C ATOM 1062 O LEU A 69 61.277 4.793 -1.404 1.00 0.00 O ATOM 1063 CB LEU A 69 63.441 6.365 0.649 1.00 0.00 C ATOM 1064 CG LEU A 69 64.327 6.368 1.898 1.00 0.00 C ATOM 1065 CD1 LEU A 69 65.440 7.397 1.768 1.00 0.00 C ATOM 1066 CD2 LEU A 69 63.491 6.641 3.138 1.00 0.00 C ATOM 0 H LEU A 69 63.686 3.886 0.271 1.00 0.00 H new ATOM 0 HA LEU A 69 61.729 5.543 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 69 64.060 6.136 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 69 63.043 7.369 0.501 1.00 0.00 H new ATOM 0 HG LEU A 69 64.785 5.384 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 69 66.057 7.381 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 69 66.056 7.159 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.006 8.389 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.134 6.640 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 69 63.007 7.613 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 69 62.732 5.866 3.243 1.00 0.00 H new ATOM 1078 N LYS A 70 60.587 6.716 -0.425 1.00 0.00 N ATOM 1079 CA LYS A 70 59.511 7.006 -1.380 1.00 0.00 C ATOM 1080 C LYS A 70 58.334 6.070 -1.140 1.00 0.00 C ATOM 1081 O LYS A 70 57.260 6.503 -0.732 1.00 0.00 O ATOM 1082 CB LYS A 70 59.984 6.908 -2.839 1.00 0.00 C ATOM 1083 CG LYS A 70 61.074 7.901 -3.207 1.00 0.00 C ATOM 1084 CD LYS A 70 61.455 7.781 -4.673 1.00 0.00 C ATOM 1085 CE LYS A 70 62.552 8.762 -5.047 1.00 0.00 C ATOM 1086 NZ LYS A 70 62.918 8.665 -6.485 1.00 0.00 N ATOM 0 H LYS A 70 60.717 7.442 0.279 1.00 0.00 H new ATOM 0 HA LYS A 70 59.196 8.036 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 70 60.350 5.898 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 70 59.129 7.063 -3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 70 60.731 8.915 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 70 61.952 7.728 -2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 70 61.789 6.764 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 70 60.577 7.962 -5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 70 62.223 9.777 -4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 70 63.433 8.571 -4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 63.670 9.351 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 63.257 7.704 -6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 62.084 8.872 -7.070 1.00 0.00 H new ATOM 1100 N GLY A 71 58.556 4.796 -1.421 1.00 0.00 N ATOM 1101 CA GLY A 71 57.601 3.742 -1.095 1.00 0.00 C ATOM 1102 C GLY A 71 56.232 3.909 -1.732 1.00 0.00 C ATOM 1103 O GLY A 71 55.299 3.184 -1.388 1.00 0.00 O ATOM 0 H GLY A 71 59.402 4.461 -1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 71 58.017 2.784 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 71 57.481 3.701 -0.012 1.00 0.00 H new ATOM 1107 N GLY A 72 56.108 4.847 -2.665 1.00 0.00 N ATOM 1108 CA GLY A 72 54.822 5.123 -3.273 1.00 0.00 C ATOM 1109 C GLY A 72 53.783 5.540 -2.246 1.00 0.00 C ATOM 1110 O GLY A 72 52.678 5.007 -2.222 1.00 0.00 O ATOM 0 H GLY A 72 56.877 5.421 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 72 54.935 5.913 -4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 72 54.473 4.236 -3.801 1.00 0.00 H new ATOM 1114 N LEU A 73 54.141 6.508 -1.402 1.00 0.00 N ATOM 1115 CA LEU A 73 53.260 6.969 -0.322 1.00 0.00 C ATOM 1116 C LEU A 73 52.071 7.774 -0.851 1.00 0.00 C ATOM 1117 O LEU A 73 51.326 8.367 -0.068 1.00 0.00 O ATOM 1118 CB LEU A 73 54.047 7.824 0.674 1.00 0.00 C ATOM 1119 CG LEU A 73 55.224 7.125 1.358 1.00 0.00 C ATOM 1120 CD1 LEU A 73 55.920 8.074 2.321 1.00 0.00 C ATOM 1121 CD2 LEU A 73 54.758 5.873 2.085 1.00 0.00 C ATOM 0 H LEU A 73 55.038 6.991 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 73 52.871 6.080 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 73 54.423 8.704 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 73 53.361 8.178 1.443 1.00 0.00 H new ATOM 0 HG LEU A 73 55.938 6.827 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 73 56.754 7.560 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 73 56.292 8.940 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 73 55.213 8.403 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 73 55.611 5.392 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 73 54.022 6.144 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 73 54.307 5.184 1.371 1.00 0.00 H new ATOM 1133 N ALA A 74 51.913 7.801 -2.175 1.00 0.00 N ATOM 1134 CA ALA A 74 50.813 8.511 -2.835 1.00 0.00 C ATOM 1135 C ALA A 74 50.935 10.024 -2.673 1.00 0.00 C ATOM 1136 O ALA A 74 50.047 10.774 -3.072 1.00 0.00 O ATOM 1137 CB ALA A 74 49.464 8.016 -2.327 1.00 0.00 C ATOM 0 H ALA A 74 52.545 7.330 -2.823 1.00 0.00 H new ATOM 0 HA ALA A 74 50.879 8.293 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 74 48.664 8.558 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 74 49.366 6.950 -2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 74 49.395 8.186 -1.252 1.00 0.00 H new ATOM 1143 N TYR A 75 52.046 10.473 -2.104 1.00 0.00 N ATOM 1144 CA TYR A 75 52.309 11.899 -1.956 1.00 0.00 C ATOM 1145 C TYR A 75 53.076 12.404 -3.175 1.00 0.00 C ATOM 1146 O TYR A 75 53.502 13.554 -3.240 1.00 0.00 O ATOM 1147 CB TYR A 75 53.096 12.161 -0.663 1.00 0.00 C ATOM 1148 CG TYR A 75 53.282 13.630 -0.339 1.00 0.00 C ATOM 1149 CD1 TYR A 75 52.191 14.437 -0.043 1.00 0.00 C ATOM 1150 CD2 TYR A 75 54.545 14.209 -0.338 1.00 0.00 C ATOM 1151 CE1 TYR A 75 52.353 15.778 0.244 1.00 0.00 C ATOM 1152 CE2 TYR A 75 54.715 15.550 -0.051 1.00 0.00 C ATOM 1153 CZ TYR A 75 53.615 16.328 0.239 1.00 0.00 C ATOM 1154 OH TYR A 75 53.778 17.666 0.523 1.00 0.00 O ATOM 0 H TYR A 75 52.781 9.869 -1.737 1.00 0.00 H new ATOM 0 HA TYR A 75 51.364 12.439 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 75 52.580 11.679 0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 75 54.076 11.691 -0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 75 51.200 14.009 -0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 75 55.408 13.601 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 75 51.494 16.392 0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 75 55.703 15.985 -0.054 1.00 0.00 H new ATOM 0 HH TYR A 75 54.730 17.896 0.479 1.00 0.00 H new ATOM 1164 N VAL A 76 53.231 11.526 -4.150 1.00 0.00 N ATOM 1165 CA VAL A 76 53.955 11.853 -5.361 1.00 0.00 C ATOM 1166 C VAL A 76 53.051 12.578 -6.348 1.00 0.00 C ATOM 1167 O VAL A 76 52.202 11.962 -6.993 1.00 0.00 O ATOM 1168 CB VAL A 76 54.530 10.587 -6.036 1.00 0.00 C ATOM 1169 CG1 VAL A 76 55.334 10.950 -7.277 1.00 0.00 C ATOM 1170 CG2 VAL A 76 55.381 9.794 -5.055 1.00 0.00 C ATOM 0 H VAL A 76 52.862 10.576 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 76 54.781 12.504 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 76 53.694 9.960 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 76 55.728 10.042 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 76 54.690 11.465 -7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 76 56.160 11.603 -6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 76 55.776 8.907 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 76 56.207 10.414 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 76 54.770 9.493 -4.204 1.00 0.00 H new ATOM 1180 N LEU A 77 53.205 13.889 -6.426 1.00 0.00 N ATOM 1181 CA LEU A 77 52.539 14.662 -7.460 1.00 0.00 C ATOM 1182 C LEU A 77 53.221 14.373 -8.786 1.00 0.00 C ATOM 1183 O LEU A 77 54.428 14.136 -8.817 1.00 0.00 O ATOM 1184 CB LEU A 77 52.578 16.171 -7.158 1.00 0.00 C ATOM 1185 CG LEU A 77 51.680 16.654 -6.007 1.00 0.00 C ATOM 1186 CD1 LEU A 77 50.265 16.122 -6.171 1.00 0.00 C ATOM 1187 CD2 LEU A 77 52.254 16.256 -4.655 1.00 0.00 C ATOM 0 H LEU A 77 53.782 14.438 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 77 51.489 14.372 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 77 53.607 16.449 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 77 52.295 16.709 -8.063 1.00 0.00 H new ATOM 0 HG LEU A 77 51.644 17.743 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 77 49.646 16.475 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 77 49.850 16.477 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 77 50.284 15.032 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 77 51.597 16.612 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 77 52.335 15.170 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 77 53.242 16.700 -4.534 1.00 0.00 H new ATOM 1199 N GLU A 78 52.455 14.368 -9.869 1.00 0.00 N ATOM 1200 CA GLU A 78 52.997 14.036 -11.181 1.00 0.00 C ATOM 1201 C GLU A 78 54.055 15.045 -11.613 1.00 0.00 C ATOM 1202 O GLU A 78 53.735 16.088 -12.185 1.00 0.00 O ATOM 1203 CB GLU A 78 51.883 13.952 -12.224 1.00 0.00 C ATOM 1204 CG GLU A 78 50.942 12.780 -11.998 1.00 0.00 C ATOM 1205 CD GLU A 78 51.682 11.461 -11.916 1.00 0.00 C ATOM 1206 OE1 GLU A 78 52.362 11.094 -12.899 1.00 0.00 O ATOM 1207 OE2 GLU A 78 51.591 10.788 -10.869 1.00 0.00 O ATOM 0 H GLU A 78 51.459 14.589 -9.866 1.00 0.00 H new ATOM 0 HA GLU A 78 53.473 13.059 -11.104 1.00 0.00 H new ATOM 0 HB2 GLU A 78 51.309 14.879 -12.210 1.00 0.00 H new ATOM 0 HB3 GLU A 78 52.327 13.867 -13.216 1.00 0.00 H new ATOM 0 HG2 GLU A 78 50.382 12.938 -11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 78 50.216 12.738 -12.810 1.00 0.00 H new ATOM 1214 N HIS A 79 55.310 14.722 -11.301 1.00 0.00 N ATOM 1215 CA HIS A 79 56.466 15.540 -11.653 1.00 0.00 C ATOM 1216 C HIS A 79 56.465 16.858 -10.884 1.00 0.00 C ATOM 1217 O HIS A 79 57.050 16.937 -9.805 1.00 0.00 O ATOM 1218 CB HIS A 79 56.544 15.775 -13.167 1.00 0.00 C ATOM 1219 CG HIS A 79 56.730 14.506 -13.939 1.00 0.00 C ATOM 1220 ND1 HIS A 79 55.785 13.994 -14.802 1.00 0.00 N ATOM 1221 CD2 HIS A 79 57.758 13.627 -13.948 1.00 0.00 C ATOM 1222 CE1 HIS A 79 56.226 12.856 -15.303 1.00 0.00 C ATOM 1223 NE2 HIS A 79 57.419 12.611 -14.801 1.00 0.00 N ATOM 0 H HIS A 79 55.553 13.873 -10.790 1.00 0.00 H new ATOM 0 HA HIS A 79 57.361 14.990 -11.362 1.00 0.00 H new ATOM 0 HB2 HIS A 79 55.632 16.269 -13.502 1.00 0.00 H new ATOM 0 HB3 HIS A 79 57.370 16.452 -13.384 1.00 0.00 H new ATOM 0 HD2 HIS A 79 58.677 13.711 -13.386 1.00 0.00 H new ATOM 0 HE1 HIS A 79 55.697 12.230 -16.007 1.00 0.00 H new ATOM 0 HE2 HIS A 79 57.996 11.797 -15.013 1.00 0.00 H new ATOM 1232 N HIS A 80 55.799 17.879 -11.431 1.00 0.00 N ATOM 1233 CA HIS A 80 55.716 19.192 -10.784 1.00 0.00 C ATOM 1234 C HIS A 80 57.120 19.679 -10.404 1.00 0.00 C ATOM 1235 O HIS A 80 57.341 20.206 -9.318 1.00 0.00 O ATOM 1236 CB HIS A 80 54.813 19.102 -9.536 1.00 0.00 C ATOM 1237 CG HIS A 80 54.342 20.427 -8.998 1.00 0.00 C ATOM 1238 ND1 HIS A 80 53.069 20.908 -9.204 1.00 0.00 N ATOM 1239 CD2 HIS A 80 54.971 21.360 -8.243 1.00 0.00 C ATOM 1240 CE1 HIS A 80 52.937 22.076 -8.607 1.00 0.00 C ATOM 1241 NE2 HIS A 80 54.078 22.374 -8.014 1.00 0.00 N ATOM 0 H HIS A 80 55.308 17.821 -12.323 1.00 0.00 H new ATOM 0 HA HIS A 80 55.280 19.910 -11.478 1.00 0.00 H new ATOM 0 HB2 HIS A 80 53.941 18.494 -9.779 1.00 0.00 H new ATOM 0 HB3 HIS A 80 55.357 18.579 -8.749 1.00 0.00 H new ATOM 0 HD2 HIS A 80 55.990 21.313 -7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 80 52.046 22.686 -8.604 1.00 0.00 H new ATOM 0 HE2 HIS A 80 54.264 23.219 -7.474 1.00 0.00 H new ATOM 1250 N HIS A 81 58.074 19.506 -11.313 1.00 0.00 N ATOM 1251 CA HIS A 81 59.464 19.817 -11.000 1.00 0.00 C ATOM 1252 C HIS A 81 59.741 21.314 -11.071 1.00 0.00 C ATOM 1253 O HIS A 81 60.867 21.749 -10.839 1.00 0.00 O ATOM 1254 CB HIS A 81 60.446 19.038 -11.896 1.00 0.00 C ATOM 1255 CG HIS A 81 60.317 19.289 -13.372 1.00 0.00 C ATOM 1256 ND1 HIS A 81 60.078 18.282 -14.276 1.00 0.00 N ATOM 1257 CD2 HIS A 81 60.441 20.424 -14.102 1.00 0.00 C ATOM 1258 CE1 HIS A 81 60.057 18.781 -15.495 1.00 0.00 C ATOM 1259 NE2 HIS A 81 60.275 20.081 -15.422 1.00 0.00 N ATOM 0 H HIS A 81 57.914 19.158 -12.258 1.00 0.00 H new ATOM 0 HA HIS A 81 59.628 19.496 -9.971 1.00 0.00 H new ATOM 0 HB2 HIS A 81 61.463 19.286 -11.591 1.00 0.00 H new ATOM 0 HB3 HIS A 81 60.309 17.972 -11.714 1.00 0.00 H new ATOM 0 HD2 HIS A 81 60.634 21.415 -13.717 1.00 0.00 H new ATOM 0 HE1 HIS A 81 59.889 18.220 -16.403 1.00 0.00 H new ATOM 0 HE2 HIS A 81 60.314 20.723 -16.213 1.00 0.00 H new ATOM 1268 N HIS A 82 58.728 22.108 -11.391 1.00 0.00 N ATOM 1269 CA HIS A 82 58.898 23.550 -11.365 1.00 0.00 C ATOM 1270 C HIS A 82 58.463 24.081 -10.010 1.00 0.00 C ATOM 1271 O HIS A 82 57.325 24.513 -9.825 1.00 0.00 O ATOM 1272 CB HIS A 82 58.132 24.253 -12.489 1.00 0.00 C ATOM 1273 CG HIS A 82 58.518 25.699 -12.636 1.00 0.00 C ATOM 1274 ND1 HIS A 82 59.480 26.133 -13.520 1.00 0.00 N ATOM 1275 CD2 HIS A 82 58.096 26.805 -11.974 1.00 0.00 C ATOM 1276 CE1 HIS A 82 59.637 27.437 -13.392 1.00 0.00 C ATOM 1277 NE2 HIS A 82 58.810 27.873 -12.460 1.00 0.00 N ATOM 0 H HIS A 82 57.800 21.785 -11.666 1.00 0.00 H new ATOM 0 HA HIS A 82 59.954 23.765 -11.529 1.00 0.00 H new ATOM 0 HB2 HIS A 82 58.317 23.734 -13.429 1.00 0.00 H new ATOM 0 HB3 HIS A 82 57.062 24.185 -12.292 1.00 0.00 H new ATOM 0 HD2 HIS A 82 57.338 26.840 -11.206 1.00 0.00 H new ATOM 0 HE1 HIS A 82 60.328 28.046 -13.956 1.00 0.00 H new ATOM 0 HE2 HIS A 82 58.717 28.841 -12.152 1.00 0.00 H new ATOM 1286 N HIS A 83 59.369 24.000 -9.058 1.00 0.00 N ATOM 1287 CA HIS A 83 59.122 24.486 -7.714 1.00 0.00 C ATOM 1288 C HIS A 83 60.153 25.558 -7.396 1.00 0.00 C ATOM 1289 O HIS A 83 60.361 25.937 -6.245 1.00 0.00 O ATOM 1290 CB HIS A 83 59.201 23.321 -6.718 1.00 0.00 C ATOM 1291 CG HIS A 83 58.587 23.610 -5.379 1.00 0.00 C ATOM 1292 ND1 HIS A 83 59.259 23.436 -4.190 1.00 0.00 N ATOM 1293 CD2 HIS A 83 57.345 24.035 -5.048 1.00 0.00 C ATOM 1294 CE1 HIS A 83 58.458 23.740 -3.185 1.00 0.00 C ATOM 1295 NE2 HIS A 83 57.291 24.107 -3.679 1.00 0.00 N ATOM 0 H HIS A 83 60.296 23.596 -9.192 1.00 0.00 H new ATOM 0 HA HIS A 83 58.124 24.918 -7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 83 58.705 22.453 -7.152 1.00 0.00 H new ATOM 0 HB3 HIS A 83 60.247 23.052 -6.574 1.00 0.00 H new ATOM 0 HD2 HIS A 83 56.545 24.273 -5.734 1.00 0.00 H new ATOM 0 HE1 HIS A 83 58.715 23.696 -2.137 1.00 0.00 H new ATOM 0 HE2 HIS A 83 56.480 24.397 -3.132 1.00 0.00 H new ATOM 1304 N HIS A 84 60.790 26.036 -8.453 1.00 0.00 N ATOM 1305 CA HIS A 84 61.838 27.035 -8.365 1.00 0.00 C ATOM 1306 C HIS A 84 61.753 27.941 -9.583 1.00 0.00 C ATOM 1307 O HIS A 84 61.676 27.408 -10.709 1.00 0.00 O ATOM 1308 CB HIS A 84 63.211 26.354 -8.294 1.00 0.00 C ATOM 1309 CG HIS A 84 64.391 27.288 -8.241 1.00 0.00 C ATOM 1310 ND1 HIS A 84 64.305 28.650 -8.441 1.00 0.00 N ATOM 1311 CD2 HIS A 84 65.702 27.031 -8.025 1.00 0.00 C ATOM 1312 CE1 HIS A 84 65.506 29.182 -8.354 1.00 0.00 C ATOM 1313 NE2 HIS A 84 66.376 28.224 -8.103 1.00 0.00 N ATOM 1314 OXT HIS A 84 61.786 29.174 -9.412 1.00 0.00 O ATOM 0 H HIS A 84 60.590 25.736 -9.407 1.00 0.00 H new ATOM 0 HA HIS A 84 61.709 27.630 -7.461 1.00 0.00 H new ATOM 0 HB2 HIS A 84 63.235 25.714 -7.412 1.00 0.00 H new ATOM 0 HB3 HIS A 84 63.321 25.705 -9.162 1.00 0.00 H new ATOM 0 HD1 HIS A 84 63.445 29.165 -8.627 1.00 0.00 H new ATOM 0 HD2 HIS A 84 66.138 26.063 -7.827 1.00 0.00 H new ATOM 0 HE1 HIS A 84 65.740 30.230 -8.469 1.00 0.00 H new TER 1323 HIS A 84