USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 653 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 21 ASN : amide:sc= 0 K(o=0.87,f=-0.073) USER MOD Set 1.2: A 24 GLN : amide:sc= 0.872 X(o=0.87,f=0.58) USER MOD Set 1.3: A 39 GLN : amide:sc= 0 X(o=0.87,f=0.87) USER MOD Set 2.1: A 1 MET CE :methyl -128:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 GLN : amide:sc= 0 K(o=0,f=-4) USER MOD Single : A 1 MET N :NH3+ -158:sc= 1.15 (180deg=0.454) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -150:sc= 0.868 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -143:sc= 1.18 (180deg=0.94) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.46) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.582 X(o=-0.58,f=-0.29) USER MOD Single : A 33 GLN : amide:sc= -0.0373 X(o=-0.037,f=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= -0.0867 (180deg=-0.432) USER MOD Single : A 42 SER OG : rot 180:sc= 0.135 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.114 USER MOD Single : A 53 TYR OH : rot -113:sc= 0.553 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 0.429 (180deg=0.236) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.15) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-3e-05) USER MOD Single : A 74 ASN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.617 X(o=-0.62,f=-0.25) USER MOD Single : A 79 ASN : amide:sc= -0.0301 K(o=-0.03,f=-4.3!) USER MOD Single : A 81 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.528 -21.710 -15.477 1.00 61.00 N ATOM 2 CA MET A 1 10.823 -22.756 -14.712 1.00 42.00 C ATOM 3 C MET A 1 9.305 -22.543 -14.751 1.00 4.00 C ATOM 4 O MET A 1 8.536 -23.449 -14.433 1.00 5.00 O ATOM 5 CB MET A 1 11.311 -22.816 -13.238 1.00 20.00 C ATOM 6 CG MET A 1 10.929 -21.621 -12.351 1.00 15.00 C ATOM 7 SD MET A 1 11.537 -20.035 -12.966 1.00 41.00 S ATOM 8 CE MET A 1 10.910 -18.914 -11.708 1.00 1.00 C ATOM 0 H1 MET A 1 12.469 -22.056 -15.752 1.00 61.00 H new ATOM 0 H2 MET A 1 10.982 -21.477 -16.331 1.00 61.00 H new ATOM 0 H3 MET A 1 11.631 -20.859 -14.888 1.00 61.00 H new ATOM 0 HA MET A 1 11.056 -23.708 -15.188 1.00 42.00 H new ATOM 0 HB2 MET A 1 10.914 -23.723 -12.782 1.00 20.00 H new ATOM 0 HB3 MET A 1 12.397 -22.909 -13.240 1.00 20.00 H new ATOM 0 HG2 MET A 1 9.843 -21.575 -12.266 1.00 15.00 H new ATOM 0 HG3 MET A 1 11.321 -21.785 -11.347 1.00 15.00 H new ATOM 0 HE1 MET A 1 10.361 -18.102 -12.185 1.00 1.00 H new ATOM 0 HE2 MET A 1 10.245 -19.456 -11.036 1.00 1.00 H new ATOM 0 HE3 MET A 1 11.744 -18.503 -11.139 1.00 1.00 H new ATOM 18 N GLN A 2 8.871 -21.357 -15.146 1.00 55.00 N ATOM 19 CA GLN A 2 7.457 -21.044 -15.212 1.00 53.00 C ATOM 20 C GLN A 2 7.121 -20.443 -16.548 1.00 3.00 C ATOM 21 O GLN A 2 8.010 -20.039 -17.306 1.00 30.00 O ATOM 22 CB GLN A 2 7.045 -20.079 -14.102 1.00 15.00 C ATOM 23 CG GLN A 2 7.033 -20.680 -12.717 1.00 22.00 C ATOM 24 CD GLN A 2 6.779 -19.643 -11.663 1.00 1.00 C ATOM 25 OE1 GLN A 2 7.708 -19.042 -11.146 1.00 72.00 O ATOM 26 NE2 GLN A 2 5.542 -19.415 -11.337 1.00 64.00 N ATOM 0 H GLN A 2 9.484 -20.592 -15.427 1.00 55.00 H new ATOM 0 HA GLN A 2 6.907 -21.975 -15.079 1.00 53.00 H new ATOM 0 HB2 GLN A 2 7.726 -19.228 -14.108 1.00 15.00 H new ATOM 0 HB3 GLN A 2 6.050 -19.694 -14.325 1.00 15.00 H new ATOM 0 HG2 GLN A 2 6.264 -21.451 -12.662 1.00 22.00 H new ATOM 0 HG3 GLN A 2 7.988 -21.168 -12.524 1.00 22.00 H new ATOM 0 HE21 GLN A 2 4.791 -19.936 -11.790 1.00 64.00 H new ATOM 0 HE22 GLN A 2 5.322 -18.715 -10.628 1.00 64.00 H new ATOM 35 N THR A 3 5.869 -20.362 -16.822 1.00 20.00 N ATOM 36 CA THR A 3 5.389 -19.826 -18.050 1.00 12.00 C ATOM 37 C THR A 3 4.657 -18.530 -17.728 1.00 33.00 C ATOM 38 O THR A 3 4.213 -18.341 -16.588 1.00 21.00 O ATOM 39 CB THR A 3 4.407 -20.829 -18.672 1.00 35.00 C ATOM 40 OG1 THR A 3 4.879 -22.167 -18.403 1.00 35.00 O ATOM 41 CG2 THR A 3 4.358 -20.656 -20.166 1.00 2.00 C ATOM 0 H THR A 3 5.132 -20.672 -16.188 1.00 20.00 H new ATOM 0 HA THR A 3 6.205 -19.640 -18.748 1.00 12.00 H new ATOM 0 HB THR A 3 3.418 -20.661 -18.247 1.00 35.00 H new ATOM 0 HG1 THR A 3 4.259 -22.817 -18.794 1.00 35.00 H new ATOM 0 HG21 THR A 3 3.658 -21.374 -20.593 1.00 2.00 H new ATOM 0 HG22 THR A 3 4.031 -19.644 -20.405 1.00 2.00 H new ATOM 0 HG23 THR A 3 5.350 -20.824 -20.585 1.00 2.00 H new ATOM 49 N ASP A 4 4.570 -17.630 -18.671 1.00 32.00 N ATOM 50 CA ASP A 4 3.830 -16.400 -18.421 1.00 13.00 C ATOM 51 C ASP A 4 2.408 -16.585 -18.865 1.00 72.00 C ATOM 52 O ASP A 4 2.085 -17.584 -19.515 1.00 64.00 O ATOM 53 CB ASP A 4 4.442 -15.192 -19.123 1.00 51.00 C ATOM 54 CG ASP A 4 5.790 -14.795 -18.589 1.00 14.00 C ATOM 55 OD1 ASP A 4 5.866 -14.205 -17.490 1.00 43.00 O ATOM 56 OD2 ASP A 4 6.806 -15.060 -19.272 1.00 20.00 O ATOM 0 H ASP A 4 4.986 -17.711 -19.599 1.00 32.00 H new ATOM 0 HA ASP A 4 3.874 -16.198 -17.351 1.00 13.00 H new ATOM 0 HB2 ASP A 4 4.534 -15.410 -20.187 1.00 51.00 H new ATOM 0 HB3 ASP A 4 3.761 -14.346 -19.029 1.00 51.00 H new ATOM 61 N THR A 5 1.563 -15.648 -18.555 1.00 31.00 N ATOM 62 CA THR A 5 0.181 -15.757 -18.899 1.00 0.00 C ATOM 63 C THR A 5 -0.461 -14.393 -18.868 1.00 34.00 C ATOM 64 O THR A 5 0.123 -13.456 -18.365 1.00 63.00 O ATOM 65 CB THR A 5 -0.559 -16.769 -17.957 1.00 72.00 C ATOM 66 OG1 THR A 5 -1.974 -16.846 -18.254 1.00 35.00 O ATOM 67 CG2 THR A 5 -0.364 -16.421 -16.489 1.00 41.00 C ATOM 0 H THR A 5 1.812 -14.792 -18.059 1.00 31.00 H new ATOM 0 HA THR A 5 0.099 -16.151 -19.912 1.00 0.00 H new ATOM 0 HB THR A 5 -0.111 -17.744 -18.146 1.00 72.00 H new ATOM 0 HG1 THR A 5 -2.468 -17.064 -17.436 1.00 35.00 H new ATOM 0 HG21 THR A 5 -0.892 -17.146 -15.870 1.00 41.00 H new ATOM 0 HG22 THR A 5 0.699 -16.444 -16.248 1.00 41.00 H new ATOM 0 HG23 THR A 5 -0.758 -15.423 -16.296 1.00 41.00 H new ATOM 75 N LEU A 6 -1.647 -14.282 -19.416 1.00 72.00 N ATOM 76 CA LEU A 6 -2.348 -13.021 -19.426 1.00 73.00 C ATOM 77 C LEU A 6 -3.044 -12.799 -18.086 1.00 10.00 C ATOM 78 O LEU A 6 -2.639 -13.372 -17.078 1.00 10.00 O ATOM 79 CB LEU A 6 -3.298 -12.927 -20.637 1.00 72.00 C ATOM 80 CG LEU A 6 -2.608 -12.831 -22.004 1.00 44.00 C ATOM 81 CD1 LEU A 6 -3.635 -12.840 -23.120 1.00 1.00 C ATOM 82 CD2 LEU A 6 -1.756 -11.576 -22.113 1.00 32.00 C ATOM 0 H LEU A 6 -2.148 -15.051 -19.862 1.00 72.00 H new ATOM 0 HA LEU A 6 -1.633 -12.207 -19.547 1.00 73.00 H new ATOM 0 HB2 LEU A 6 -3.948 -13.802 -20.637 1.00 72.00 H new ATOM 0 HB3 LEU A 6 -3.938 -12.054 -20.509 1.00 72.00 H new ATOM 0 HG LEU A 6 -1.957 -13.700 -22.100 1.00 44.00 H new ATOM 0 HD11 LEU A 6 -3.127 -12.771 -24.082 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -4.210 -13.765 -23.078 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -4.307 -11.990 -23.003 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -1.283 -11.542 -23.094 1.00 32.00 H new ATOM 0 HD22 LEU A 6 -2.386 -10.696 -21.983 1.00 32.00 H new ATOM 0 HD23 LEU A 6 -0.988 -11.590 -21.340 1.00 32.00 H new ATOM 94 N GLU A 7 -4.086 -12.005 -18.076 1.00 52.00 N ATOM 95 CA GLU A 7 -4.700 -11.569 -16.870 1.00 60.00 C ATOM 96 C GLU A 7 -5.475 -12.730 -16.234 1.00 23.00 C ATOM 97 O GLU A 7 -5.643 -12.806 -15.025 1.00 42.00 O ATOM 98 CB GLU A 7 -5.634 -10.433 -17.229 1.00 41.00 C ATOM 99 CG GLU A 7 -6.084 -9.623 -16.049 1.00 43.00 C ATOM 100 CD GLU A 7 -4.914 -9.095 -15.223 1.00 51.00 C ATOM 101 OE1 GLU A 7 -3.797 -8.920 -15.779 1.00 64.00 O ATOM 102 OE2 GLU A 7 -5.093 -8.831 -14.017 1.00 25.00 O ATOM 0 H GLU A 7 -4.529 -11.645 -18.922 1.00 52.00 H new ATOM 0 HA GLU A 7 -3.957 -11.232 -16.148 1.00 60.00 H new ATOM 0 HB2 GLU A 7 -5.134 -9.775 -17.940 1.00 41.00 H new ATOM 0 HB3 GLU A 7 -6.510 -10.841 -17.733 1.00 41.00 H new ATOM 0 HG2 GLU A 7 -6.687 -8.784 -16.397 1.00 43.00 H new ATOM 0 HG3 GLU A 7 -6.725 -10.235 -15.415 1.00 43.00 H new ATOM 109 N TYR A 8 -5.896 -13.653 -17.107 1.00 2.00 N ATOM 110 CA TYR A 8 -6.668 -14.847 -16.823 1.00 62.00 C ATOM 111 C TYR A 8 -7.922 -14.692 -15.956 1.00 14.00 C ATOM 112 O TYR A 8 -8.497 -15.686 -15.539 1.00 71.00 O ATOM 113 CB TYR A 8 -5.817 -16.070 -16.414 1.00 51.00 C ATOM 114 CG TYR A 8 -4.988 -15.977 -15.147 1.00 41.00 C ATOM 115 CD1 TYR A 8 -5.518 -16.313 -13.906 1.00 51.00 C ATOM 116 CD2 TYR A 8 -3.658 -15.609 -15.206 1.00 72.00 C ATOM 117 CE1 TYR A 8 -4.737 -16.280 -12.768 1.00 53.00 C ATOM 118 CE2 TYR A 8 -2.878 -15.563 -14.078 1.00 73.00 C ATOM 119 CZ TYR A 8 -3.415 -15.901 -12.865 1.00 73.00 C ATOM 120 OH TYR A 8 -2.616 -15.878 -11.742 1.00 31.00 O ATOM 0 H TYR A 8 -5.685 -13.569 -18.101 1.00 2.00 H new ATOM 0 HA TYR A 8 -7.080 -15.054 -17.811 1.00 62.00 H new ATOM 0 HB2 TYR A 8 -6.488 -16.923 -16.311 1.00 51.00 H new ATOM 0 HB3 TYR A 8 -5.140 -16.295 -17.238 1.00 51.00 H new ATOM 0 HD1 TYR A 8 -6.555 -16.604 -13.831 1.00 51.00 H new ATOM 0 HD2 TYR A 8 -3.223 -15.352 -16.160 1.00 72.00 H new ATOM 0 HE1 TYR A 8 -5.158 -16.549 -11.810 1.00 53.00 H new ATOM 0 HE2 TYR A 8 -1.843 -15.261 -14.147 1.00 73.00 H new ATOM 0 HH TYR A 8 -1.713 -15.589 -11.989 1.00 31.00 H new ATOM 130 N GLN A 9 -8.409 -13.497 -15.804 1.00 54.00 N ATOM 131 CA GLN A 9 -9.533 -13.262 -14.925 1.00 32.00 C ATOM 132 C GLN A 9 -10.526 -12.370 -15.586 1.00 22.00 C ATOM 133 O GLN A 9 -11.179 -11.538 -14.946 1.00 42.00 O ATOM 134 CB GLN A 9 -9.080 -12.677 -13.597 1.00 22.00 C ATOM 135 CG GLN A 9 -8.262 -11.398 -13.693 1.00 51.00 C ATOM 136 CD GLN A 9 -7.915 -10.823 -12.337 1.00 72.00 C ATOM 137 OE1 GLN A 9 -6.884 -11.157 -11.745 1.00 22.00 O ATOM 138 NE2 GLN A 9 -8.766 -9.981 -11.818 1.00 23.00 N ATOM 0 H GLN A 9 -8.051 -12.665 -16.273 1.00 54.00 H new ATOM 0 HA GLN A 9 -10.010 -14.220 -14.717 1.00 32.00 H new ATOM 0 HB2 GLN A 9 -9.961 -12.480 -12.987 1.00 22.00 H new ATOM 0 HB3 GLN A 9 -8.490 -13.427 -13.071 1.00 22.00 H new ATOM 0 HG2 GLN A 9 -7.343 -11.600 -14.243 1.00 51.00 H new ATOM 0 HG3 GLN A 9 -8.820 -10.657 -14.265 1.00 51.00 H new ATOM 0 HE21 GLN A 9 -9.609 -9.725 -12.333 1.00 23.00 H new ATOM 0 HE22 GLN A 9 -8.588 -9.579 -10.898 1.00 23.00 H new ATOM 147 N CYS A 10 -10.699 -12.597 -16.847 1.00 74.00 N ATOM 148 CA CYS A 10 -11.596 -11.826 -17.622 1.00 63.00 C ATOM 149 C CYS A 10 -12.961 -12.334 -17.239 1.00 20.00 C ATOM 150 O CYS A 10 -13.182 -13.549 -17.245 1.00 31.00 O ATOM 151 CB CYS A 10 -11.329 -12.063 -19.105 1.00 65.00 C ATOM 152 SG CYS A 10 -9.558 -12.071 -19.569 1.00 71.00 S ATOM 0 H CYS A 10 -10.215 -13.330 -17.366 1.00 74.00 H new ATOM 0 HA CYS A 10 -11.496 -10.755 -17.447 1.00 63.00 H new ATOM 0 HB2 CYS A 10 -11.771 -13.017 -19.392 1.00 65.00 H new ATOM 0 HB3 CYS A 10 -11.838 -11.290 -19.680 1.00 65.00 H new ATOM 157 N ASP A 11 -13.839 -11.436 -16.867 1.00 64.00 N ATOM 158 CA ASP A 11 -15.168 -11.763 -16.329 1.00 2.00 C ATOM 159 C ASP A 11 -15.941 -12.767 -17.179 1.00 35.00 C ATOM 160 O ASP A 11 -16.676 -13.614 -16.656 1.00 31.00 O ATOM 161 CB ASP A 11 -15.983 -10.488 -16.128 1.00 15.00 C ATOM 162 CG ASP A 11 -17.379 -10.760 -15.631 1.00 74.00 C ATOM 163 OD1 ASP A 11 -17.561 -10.985 -14.418 1.00 53.00 O ATOM 164 OD2 ASP A 11 -18.324 -10.744 -16.449 1.00 3.00 O ATOM 0 H ASP A 11 -13.662 -10.433 -16.924 1.00 64.00 H new ATOM 0 HA ASP A 11 -15.002 -12.249 -15.367 1.00 2.00 H new ATOM 0 HB2 ASP A 11 -15.469 -9.842 -15.417 1.00 15.00 H new ATOM 0 HB3 ASP A 11 -16.037 -9.944 -17.071 1.00 15.00 H new ATOM 169 N GLU A 12 -15.766 -12.697 -18.465 1.00 42.00 N ATOM 170 CA GLU A 12 -16.445 -13.598 -19.341 1.00 24.00 C ATOM 171 C GLU A 12 -15.660 -14.891 -19.566 1.00 61.00 C ATOM 172 O GLU A 12 -16.242 -15.974 -19.596 1.00 12.00 O ATOM 173 CB GLU A 12 -16.788 -12.901 -20.659 1.00 63.00 C ATOM 174 CG GLU A 12 -17.479 -13.772 -21.702 1.00 74.00 C ATOM 175 CD GLU A 12 -18.787 -14.363 -21.237 1.00 52.00 C ATOM 176 OE1 GLU A 12 -19.771 -13.609 -21.094 1.00 41.00 O ATOM 177 OE2 GLU A 12 -18.874 -15.609 -21.063 1.00 2.00 O ATOM 0 H GLU A 12 -15.157 -12.023 -18.929 1.00 42.00 H new ATOM 0 HA GLU A 12 -17.377 -13.892 -18.859 1.00 24.00 H new ATOM 0 HB2 GLU A 12 -17.429 -12.047 -20.442 1.00 63.00 H new ATOM 0 HB3 GLU A 12 -15.868 -12.507 -21.092 1.00 63.00 H new ATOM 0 HG2 GLU A 12 -17.659 -13.176 -22.597 1.00 74.00 H new ATOM 0 HG3 GLU A 12 -16.807 -14.581 -21.988 1.00 74.00 H new ATOM 184 N LYS A 13 -14.355 -14.808 -19.664 1.00 65.00 N ATOM 185 CA LYS A 13 -13.594 -15.972 -20.059 1.00 74.00 C ATOM 186 C LYS A 13 -12.326 -15.995 -19.253 1.00 51.00 C ATOM 187 O LYS A 13 -11.581 -15.023 -19.287 1.00 3.00 O ATOM 188 CB LYS A 13 -13.178 -15.889 -21.559 1.00 13.00 C ATOM 189 CG LYS A 13 -14.251 -15.439 -22.575 1.00 41.00 C ATOM 190 CD LYS A 13 -15.439 -16.375 -22.707 1.00 54.00 C ATOM 191 CE LYS A 13 -15.073 -17.730 -23.247 1.00 5.00 C ATOM 192 NZ LYS A 13 -16.290 -18.506 -23.503 1.00 43.00 N ATOM 0 H LYS A 13 -13.806 -13.968 -19.481 1.00 65.00 H new ATOM 0 HA LYS A 13 -14.208 -16.858 -19.899 1.00 74.00 H new ATOM 0 HB2 LYS A 13 -12.334 -15.204 -21.636 1.00 13.00 H new ATOM 0 HB3 LYS A 13 -12.819 -16.872 -21.863 1.00 13.00 H new ATOM 0 HG2 LYS A 13 -14.614 -14.453 -22.285 1.00 41.00 H new ATOM 0 HG3 LYS A 13 -13.782 -15.331 -23.553 1.00 41.00 H new ATOM 0 HD2 LYS A 13 -15.908 -16.496 -21.730 1.00 54.00 H new ATOM 0 HD3 LYS A 13 -16.181 -15.919 -23.363 1.00 54.00 H new ATOM 0 HE2 LYS A 13 -14.499 -17.622 -24.167 1.00 5.00 H new ATOM 0 HE3 LYS A 13 -14.438 -18.256 -22.535 1.00 5.00 H new ATOM 0 HZ1 LYS A 13 -16.122 -19.504 -23.264 1.00 43.00 H new ATOM 0 HZ2 LYS A 13 -17.067 -18.136 -22.919 1.00 43.00 H new ATOM 0 HZ3 LYS A 13 -16.546 -18.429 -24.508 1.00 43.00 H new ATOM 206 N PRO A 14 -12.057 -17.039 -18.478 1.00 73.00 N ATOM 207 CA PRO A 14 -10.778 -17.153 -17.817 1.00 14.00 C ATOM 208 C PRO A 14 -9.713 -17.383 -18.903 1.00 41.00 C ATOM 209 O PRO A 14 -9.625 -18.461 -19.500 1.00 41.00 O ATOM 210 CB PRO A 14 -10.924 -18.362 -16.884 1.00 41.00 C ATOM 211 CG PRO A 14 -12.389 -18.675 -16.866 1.00 40.00 C ATOM 212 CD PRO A 14 -12.949 -18.164 -18.165 1.00 11.00 C ATOM 0 HA PRO A 14 -10.482 -16.272 -17.247 1.00 14.00 H new ATOM 0 HB2 PRO A 14 -10.345 -19.211 -17.247 1.00 41.00 H new ATOM 0 HB3 PRO A 14 -10.559 -18.132 -15.883 1.00 41.00 H new ATOM 0 HG2 PRO A 14 -12.556 -19.748 -16.767 1.00 40.00 H new ATOM 0 HG3 PRO A 14 -12.878 -18.196 -16.017 1.00 40.00 H new ATOM 0 HD2 PRO A 14 -12.928 -18.927 -18.943 1.00 11.00 H new ATOM 0 HD3 PRO A 14 -13.985 -17.843 -18.061 1.00 11.00 H new ATOM 220 N LEU A 15 -8.923 -16.372 -19.148 1.00 0.00 N ATOM 221 CA LEU A 15 -8.089 -16.311 -20.301 1.00 71.00 C ATOM 222 C LEU A 15 -6.699 -16.638 -19.896 1.00 3.00 C ATOM 223 O LEU A 15 -5.893 -15.748 -19.598 1.00 71.00 O ATOM 224 CB LEU A 15 -8.149 -14.897 -20.868 1.00 12.00 C ATOM 225 CG LEU A 15 -7.526 -14.680 -22.222 1.00 24.00 C ATOM 226 CD1 LEU A 15 -8.345 -15.394 -23.289 1.00 5.00 C ATOM 227 CD2 LEU A 15 -7.407 -13.195 -22.527 1.00 72.00 C ATOM 0 H LEU A 15 -8.845 -15.559 -18.538 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.422 -17.020 -21.059 1.00 71.00 H new ATOM 0 HB2 LEU A 15 -9.196 -14.598 -20.924 1.00 12.00 H new ATOM 0 HB3 LEU A 15 -7.663 -14.226 -20.159 1.00 12.00 H new ATOM 0 HG LEU A 15 -6.520 -15.099 -22.219 1.00 24.00 H new ATOM 0 HD11 LEU A 15 -7.889 -15.233 -24.266 1.00 5.00 H new ATOM 0 HD12 LEU A 15 -8.372 -16.462 -23.073 1.00 5.00 H new ATOM 0 HD13 LEU A 15 -9.361 -14.999 -23.293 1.00 5.00 H new ATOM 0 HD21 LEU A 15 -6.955 -13.060 -23.509 1.00 72.00 H new ATOM 0 HD22 LEU A 15 -8.398 -12.741 -22.519 1.00 72.00 H new ATOM 0 HD23 LEU A 15 -6.783 -12.717 -21.772 1.00 72.00 H new ATOM 239 N THR A 16 -6.424 -17.883 -19.790 1.00 21.00 N ATOM 240 CA THR A 16 -5.160 -18.270 -19.305 1.00 73.00 C ATOM 241 C THR A 16 -4.276 -18.707 -20.458 1.00 51.00 C ATOM 242 O THR A 16 -4.740 -19.354 -21.402 1.00 21.00 O ATOM 243 CB THR A 16 -5.292 -19.353 -18.249 1.00 64.00 C ATOM 244 OG1 THR A 16 -6.559 -19.155 -17.589 1.00 32.00 O ATOM 245 CG2 THR A 16 -4.195 -19.162 -17.226 1.00 44.00 C ATOM 0 H THR A 16 -7.055 -18.647 -20.032 1.00 21.00 H new ATOM 0 HA THR A 16 -4.687 -17.414 -18.823 1.00 73.00 H new ATOM 0 HB THR A 16 -5.225 -20.345 -18.695 1.00 64.00 H new ATOM 0 HG1 THR A 16 -6.679 -19.841 -16.899 1.00 32.00 H new ATOM 0 HG21 THR A 16 -4.275 -19.932 -16.459 1.00 44.00 H new ATOM 0 HG22 THR A 16 -3.224 -19.237 -17.716 1.00 44.00 H new ATOM 0 HG23 THR A 16 -4.294 -18.179 -16.765 1.00 44.00 H new ATOM 253 N VAL A 17 -3.028 -18.343 -20.391 1.00 64.00 N ATOM 254 CA VAL A 17 -2.130 -18.527 -21.487 1.00 34.00 C ATOM 255 C VAL A 17 -0.886 -19.205 -21.022 1.00 22.00 C ATOM 256 O VAL A 17 -0.483 -19.051 -19.884 1.00 11.00 O ATOM 257 CB VAL A 17 -1.713 -17.145 -22.048 1.00 44.00 C ATOM 258 CG1 VAL A 17 -0.952 -17.256 -23.344 1.00 54.00 C ATOM 259 CG2 VAL A 17 -2.894 -16.248 -22.202 1.00 54.00 C ATOM 0 H VAL A 17 -2.606 -17.909 -19.570 1.00 64.00 H new ATOM 0 HA VAL A 17 -2.633 -19.127 -22.246 1.00 34.00 H new ATOM 0 HB VAL A 17 -1.036 -16.702 -21.317 1.00 44.00 H new ATOM 0 HG11 VAL A 17 -0.683 -16.260 -23.695 1.00 54.00 H new ATOM 0 HG12 VAL A 17 -0.046 -17.841 -23.185 1.00 54.00 H new ATOM 0 HG13 VAL A 17 -1.575 -17.748 -24.091 1.00 54.00 H new ATOM 0 HG21 VAL A 17 -2.571 -15.285 -22.598 1.00 54.00 H new ATOM 0 HG22 VAL A 17 -3.608 -16.701 -22.890 1.00 54.00 H new ATOM 0 HG23 VAL A 17 -3.368 -16.101 -21.232 1.00 54.00 H new ATOM 269 N LYS A 18 -0.314 -19.991 -21.862 1.00 3.00 N ATOM 270 CA LYS A 18 0.990 -20.459 -21.615 1.00 1.00 C ATOM 271 C LYS A 18 1.920 -19.715 -22.518 1.00 34.00 C ATOM 272 O LYS A 18 2.201 -20.156 -23.620 1.00 3.00 O ATOM 273 CB LYS A 18 1.138 -21.972 -21.783 1.00 11.00 C ATOM 274 CG LYS A 18 0.700 -22.811 -20.584 1.00 20.00 C ATOM 275 CD LYS A 18 -0.783 -22.723 -20.259 1.00 61.00 C ATOM 276 CE LYS A 18 -1.102 -23.599 -19.056 1.00 62.00 C ATOM 277 NZ LYS A 18 -2.544 -23.669 -18.757 1.00 21.00 N ATOM 0 H LYS A 18 -0.736 -20.322 -22.730 1.00 3.00 H new ATOM 0 HA LYS A 18 1.234 -20.272 -20.569 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.559 -22.282 -22.653 1.00 11.00 H new ATOM 0 HB3 LYS A 18 2.183 -22.196 -21.999 1.00 11.00 H new ATOM 0 HG2 LYS A 18 0.956 -23.853 -20.773 1.00 20.00 H new ATOM 0 HG3 LYS A 18 1.270 -22.497 -19.709 1.00 20.00 H new ATOM 0 HD2 LYS A 18 -1.058 -21.689 -20.050 1.00 61.00 H new ATOM 0 HD3 LYS A 18 -1.372 -23.042 -21.119 1.00 61.00 H new ATOM 0 HE2 LYS A 18 -0.725 -24.606 -19.237 1.00 62.00 H new ATOM 0 HE3 LYS A 18 -0.574 -23.214 -18.183 1.00 62.00 H new ATOM 0 HZ1 LYS A 18 -2.698 -24.279 -17.929 1.00 21.00 H new ATOM 0 HZ2 LYS A 18 -2.903 -22.714 -18.555 1.00 21.00 H new ATOM 0 HZ3 LYS A 18 -3.050 -24.063 -19.576 1.00 21.00 H new ATOM 291 N LEU A 19 2.299 -18.527 -22.087 1.00 21.00 N ATOM 292 CA LEU A 19 3.227 -17.691 -22.810 1.00 62.00 C ATOM 293 C LEU A 19 4.597 -18.237 -22.657 1.00 31.00 C ATOM 294 O LEU A 19 5.353 -17.835 -21.754 1.00 62.00 O ATOM 295 CB LEU A 19 3.191 -16.237 -22.329 1.00 54.00 C ATOM 296 CG LEU A 19 2.115 -15.332 -22.909 1.00 13.00 C ATOM 297 CD1 LEU A 19 2.019 -14.055 -22.091 1.00 23.00 C ATOM 298 CD2 LEU A 19 2.473 -14.978 -24.343 1.00 21.00 C ATOM 0 H LEU A 19 1.966 -18.115 -21.216 1.00 21.00 H new ATOM 0 HA LEU A 19 2.933 -17.693 -23.860 1.00 62.00 H new ATOM 0 HB2 LEU A 19 3.076 -16.244 -21.245 1.00 54.00 H new ATOM 0 HB3 LEU A 19 4.160 -15.787 -22.544 1.00 54.00 H new ATOM 0 HG LEU A 19 1.158 -15.852 -22.883 1.00 13.00 H new ATOM 0 HD11 LEU A 19 1.247 -13.411 -22.511 1.00 23.00 H new ATOM 0 HD12 LEU A 19 1.765 -14.301 -21.060 1.00 23.00 H new ATOM 0 HD13 LEU A 19 2.977 -13.535 -22.114 1.00 23.00 H new ATOM 0 HD21 LEU A 19 1.703 -14.329 -24.761 1.00 21.00 H new ATOM 0 HD22 LEU A 19 3.432 -14.461 -24.361 1.00 21.00 H new ATOM 0 HD23 LEU A 19 2.541 -15.890 -24.937 1.00 21.00 H new ATOM 310 N ASN A 20 4.892 -19.202 -23.468 1.00 13.00 N ATOM 311 CA ASN A 20 6.176 -19.827 -23.445 1.00 71.00 C ATOM 312 C ASN A 20 7.121 -18.931 -24.204 1.00 4.00 C ATOM 313 O ASN A 20 7.247 -19.018 -25.437 1.00 42.00 O ATOM 314 CB ASN A 20 6.117 -21.239 -24.047 1.00 42.00 C ATOM 315 CG ASN A 20 7.434 -22.015 -23.983 1.00 60.00 C ATOM 316 OD1 ASN A 20 7.729 -22.807 -24.873 1.00 61.00 O ATOM 317 ND2 ASN A 20 8.197 -21.851 -22.930 1.00 14.00 N ATOM 0 H ASN A 20 4.250 -19.579 -24.165 1.00 13.00 H new ATOM 0 HA ASN A 20 6.525 -19.954 -22.420 1.00 71.00 H new ATOM 0 HB2 ASN A 20 5.349 -21.810 -23.526 1.00 42.00 H new ATOM 0 HB3 ASN A 20 5.806 -21.163 -25.089 1.00 42.00 H new ATOM 0 HD21 ASN A 20 9.059 -22.388 -22.836 1.00 14.00 H new ATOM 0 HD22 ASN A 20 7.929 -21.186 -22.204 1.00 14.00 H new ATOM 324 N ASN A 21 7.729 -18.032 -23.454 1.00 54.00 N ATOM 325 CA ASN A 21 8.569 -16.945 -23.969 1.00 63.00 C ATOM 326 C ASN A 21 9.582 -17.377 -25.047 1.00 45.00 C ATOM 327 O ASN A 21 9.570 -16.799 -26.130 1.00 64.00 O ATOM 328 CB ASN A 21 9.274 -16.213 -22.828 1.00 15.00 C ATOM 329 CG ASN A 21 9.931 -14.911 -23.261 1.00 62.00 C ATOM 330 OD1 ASN A 21 9.470 -14.234 -24.188 1.00 61.00 O ATOM 331 ND2 ASN A 21 10.981 -14.538 -22.586 1.00 40.00 N ATOM 0 H ASN A 21 7.656 -18.030 -22.437 1.00 54.00 H new ATOM 0 HA ASN A 21 7.882 -16.263 -24.470 1.00 63.00 H new ATOM 0 HB2 ASN A 21 8.551 -16.002 -22.040 1.00 15.00 H new ATOM 0 HB3 ASN A 21 10.032 -16.869 -22.399 1.00 15.00 H new ATOM 0 HD21 ASN A 21 11.450 -13.662 -22.816 1.00 40.00 H new ATOM 0 HD22 ASN A 21 11.334 -15.122 -21.828 1.00 40.00 H new ATOM 338 N PRO A 22 10.432 -18.441 -24.823 1.00 74.00 N ATOM 339 CA PRO A 22 11.462 -18.838 -25.804 1.00 65.00 C ATOM 340 C PRO A 22 10.884 -19.346 -27.135 1.00 42.00 C ATOM 341 O PRO A 22 11.616 -19.540 -28.104 1.00 62.00 O ATOM 342 CB PRO A 22 12.215 -19.980 -25.109 1.00 13.00 C ATOM 343 CG PRO A 22 11.865 -19.875 -23.671 1.00 44.00 C ATOM 344 CD PRO A 22 10.481 -19.328 -23.627 1.00 12.00 C ATOM 0 HA PRO A 22 12.081 -17.982 -26.071 1.00 65.00 H new ATOM 0 HB2 PRO A 22 11.919 -20.948 -25.514 1.00 13.00 H new ATOM 0 HB3 PRO A 22 13.291 -19.887 -25.258 1.00 13.00 H new ATOM 0 HG2 PRO A 22 11.916 -20.849 -23.185 1.00 44.00 H new ATOM 0 HG3 PRO A 22 12.561 -19.220 -23.146 1.00 44.00 H new ATOM 0 HD2 PRO A 22 9.733 -20.119 -23.680 1.00 12.00 H new ATOM 0 HD3 PRO A 22 10.295 -18.775 -22.706 1.00 12.00 H new ATOM 352 N ARG A 23 9.589 -19.570 -27.181 1.00 11.00 N ATOM 353 CA ARG A 23 8.957 -20.080 -28.395 1.00 30.00 C ATOM 354 C ARG A 23 8.004 -19.073 -29.010 1.00 72.00 C ATOM 355 O ARG A 23 7.770 -19.106 -30.224 1.00 44.00 O ATOM 356 CB ARG A 23 8.192 -21.374 -28.109 1.00 32.00 C ATOM 357 CG ARG A 23 9.054 -22.539 -27.671 1.00 71.00 C ATOM 358 CD ARG A 23 9.989 -23.006 -28.769 1.00 11.00 C ATOM 359 NE ARG A 23 10.784 -24.154 -28.335 1.00 75.00 N ATOM 360 CZ ARG A 23 11.123 -25.193 -29.112 1.00 23.00 C ATOM 361 NH1 ARG A 23 10.750 -25.229 -30.392 1.00 3.00 N ATOM 362 NH2 ARG A 23 11.834 -26.192 -28.605 1.00 34.00 N ATOM 0 H ARG A 23 8.950 -19.411 -26.402 1.00 11.00 H new ATOM 0 HA ARG A 23 9.762 -20.274 -29.104 1.00 30.00 H new ATOM 0 HB2 ARG A 23 7.451 -21.177 -27.334 1.00 32.00 H new ATOM 0 HB3 ARG A 23 7.646 -21.662 -29.007 1.00 32.00 H new ATOM 0 HG2 ARG A 23 9.638 -22.248 -26.798 1.00 71.00 H new ATOM 0 HG3 ARG A 23 8.414 -23.367 -27.365 1.00 71.00 H new ATOM 0 HD2 ARG A 23 9.410 -23.274 -29.653 1.00 11.00 H new ATOM 0 HD3 ARG A 23 10.651 -22.190 -29.057 1.00 11.00 H new ATOM 0 HE ARG A 23 11.105 -24.165 -27.367 1.00 75.00 H new ATOM 0 HH11 ARG A 23 10.203 -24.463 -30.786 1.00 3.00 H new ATOM 0 HH12 ARG A 23 11.011 -26.022 -30.977 1.00 3.00 H new ATOM 0 HH21 ARG A 23 12.121 -26.168 -27.627 1.00 34.00 H new ATOM 0 HH22 ARG A 23 12.093 -26.984 -29.194 1.00 34.00 H new ATOM 376 N GLN A 24 7.454 -18.184 -28.163 1.00 45.00 N ATOM 377 CA GLN A 24 6.416 -17.226 -28.542 1.00 34.00 C ATOM 378 C GLN A 24 5.126 -17.971 -28.914 1.00 11.00 C ATOM 379 O GLN A 24 4.239 -17.448 -29.611 1.00 72.00 O ATOM 380 CB GLN A 24 6.883 -16.286 -29.653 1.00 62.00 C ATOM 381 CG GLN A 24 7.939 -15.249 -29.242 1.00 11.00 C ATOM 382 CD GLN A 24 7.493 -14.351 -28.090 1.00 73.00 C ATOM 383 OE1 GLN A 24 6.857 -13.319 -28.295 1.00 54.00 O ATOM 384 NE2 GLN A 24 7.881 -14.693 -26.887 1.00 21.00 N ATOM 0 H GLN A 24 7.727 -18.115 -27.183 1.00 45.00 H new ATOM 0 HA GLN A 24 6.204 -16.590 -27.682 1.00 34.00 H new ATOM 0 HB2 GLN A 24 7.287 -16.887 -30.467 1.00 62.00 H new ATOM 0 HB3 GLN A 24 6.015 -15.758 -30.047 1.00 62.00 H new ATOM 0 HG2 GLN A 24 8.854 -15.767 -28.955 1.00 11.00 H new ATOM 0 HG3 GLN A 24 8.182 -14.628 -30.104 1.00 11.00 H new ATOM 0 HE21 GLN A 24 8.408 -15.555 -26.747 1.00 21.00 H new ATOM 0 HE22 GLN A 24 7.657 -14.097 -26.090 1.00 21.00 H new ATOM 393 N GLU A 25 5.032 -19.188 -28.393 1.00 1.00 N ATOM 394 CA GLU A 25 3.879 -20.029 -28.542 1.00 61.00 C ATOM 395 C GLU A 25 3.107 -19.999 -27.286 1.00 72.00 C ATOM 396 O GLU A 25 3.676 -19.888 -26.190 1.00 22.00 O ATOM 397 CB GLU A 25 4.229 -21.479 -28.873 1.00 0.00 C ATOM 398 CG GLU A 25 4.499 -21.740 -30.332 1.00 54.00 C ATOM 399 CD GLU A 25 4.850 -23.183 -30.611 1.00 21.00 C ATOM 400 OE1 GLU A 25 5.702 -23.757 -29.897 1.00 31.00 O ATOM 401 OE2 GLU A 25 4.301 -23.776 -31.570 1.00 62.00 O ATOM 0 H GLU A 25 5.779 -19.616 -27.845 1.00 1.00 H new ATOM 0 HA GLU A 25 3.301 -19.640 -29.381 1.00 61.00 H new ATOM 0 HB2 GLU A 25 5.108 -21.768 -28.297 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.410 -22.120 -28.548 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.620 -21.465 -30.915 1.00 54.00 H new ATOM 0 HG3 GLU A 25 5.316 -21.100 -30.666 1.00 54.00 H new ATOM 408 N VAL A 26 1.842 -20.062 -27.431 1.00 75.00 N ATOM 409 CA VAL A 26 0.952 -20.034 -26.334 1.00 14.00 C ATOM 410 C VAL A 26 0.059 -21.240 -26.349 1.00 72.00 C ATOM 411 O VAL A 26 -0.452 -21.629 -27.389 1.00 21.00 O ATOM 412 CB VAL A 26 0.092 -18.737 -26.337 1.00 43.00 C ATOM 413 CG1 VAL A 26 0.971 -17.522 -26.199 1.00 0.00 C ATOM 414 CG2 VAL A 26 -0.749 -18.613 -27.595 1.00 43.00 C ATOM 0 H VAL A 26 1.381 -20.136 -28.338 1.00 75.00 H new ATOM 0 HA VAL A 26 1.550 -20.046 -25.423 1.00 14.00 H new ATOM 0 HB VAL A 26 -0.584 -18.801 -25.484 1.00 43.00 H new ATOM 0 HG11 VAL A 26 0.353 -16.624 -26.203 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.524 -17.578 -25.262 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.672 -17.484 -27.033 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.332 -17.693 -27.553 1.00 43.00 H new ATOM 0 HG22 VAL A 26 -0.097 -18.590 -28.468 1.00 43.00 H new ATOM 0 HG23 VAL A 26 -1.422 -19.467 -27.668 1.00 43.00 H new ATOM 424 N SER A 27 -0.065 -21.871 -25.230 1.00 72.00 N ATOM 425 CA SER A 27 -1.063 -22.873 -25.083 1.00 54.00 C ATOM 426 C SER A 27 -2.157 -22.156 -24.376 1.00 31.00 C ATOM 427 O SER A 27 -1.985 -21.676 -23.257 1.00 24.00 O ATOM 428 CB SER A 27 -0.553 -24.078 -24.318 1.00 5.00 C ATOM 429 OG SER A 27 0.643 -24.567 -24.929 1.00 73.00 O ATOM 0 H SER A 27 0.512 -21.710 -24.405 1.00 72.00 H new ATOM 0 HA SER A 27 -1.391 -23.297 -26.032 1.00 54.00 H new ATOM 0 HB2 SER A 27 -0.358 -23.806 -23.281 1.00 5.00 H new ATOM 0 HB3 SER A 27 -1.312 -24.860 -24.305 1.00 5.00 H new ATOM 0 HG SER A 27 0.971 -25.345 -24.431 1.00 73.00 H new ATOM 435 N PHE A 28 -3.211 -22.002 -25.038 1.00 61.00 N ATOM 436 CA PHE A 28 -4.199 -21.087 -24.641 1.00 13.00 C ATOM 437 C PHE A 28 -5.525 -21.775 -24.645 1.00 10.00 C ATOM 438 O PHE A 28 -5.776 -22.685 -25.434 1.00 33.00 O ATOM 439 CB PHE A 28 -4.187 -20.026 -25.690 1.00 14.00 C ATOM 440 CG PHE A 28 -4.484 -18.621 -25.301 1.00 3.00 C ATOM 441 CD1 PHE A 28 -5.461 -18.313 -24.406 1.00 0.00 C ATOM 442 CD2 PHE A 28 -3.758 -17.594 -25.877 1.00 11.00 C ATOM 443 CE1 PHE A 28 -5.716 -17.019 -24.087 1.00 0.00 C ATOM 444 CE2 PHE A 28 -4.011 -16.286 -25.567 1.00 0.00 C ATOM 445 CZ PHE A 28 -4.996 -15.994 -24.667 1.00 34.00 C ATOM 0 H PHE A 28 -3.428 -22.514 -25.893 1.00 61.00 H new ATOM 0 HA PHE A 28 -4.022 -20.683 -23.644 1.00 13.00 H new ATOM 0 HB2 PHE A 28 -3.202 -20.037 -26.157 1.00 14.00 H new ATOM 0 HB3 PHE A 28 -4.906 -20.314 -26.457 1.00 14.00 H new ATOM 0 HD1 PHE A 28 -6.037 -19.103 -23.947 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.977 -17.829 -26.585 1.00 11.00 H new ATOM 0 HE1 PHE A 28 -6.491 -16.788 -23.371 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.439 -15.494 -26.028 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.210 -14.967 -24.411 1.00 34.00 H new ATOM 455 N VAL A 29 -6.337 -21.354 -23.784 1.00 42.00 N ATOM 456 CA VAL A 29 -7.625 -21.863 -23.619 1.00 43.00 C ATOM 457 C VAL A 29 -8.602 -20.897 -24.259 1.00 23.00 C ATOM 458 O VAL A 29 -8.700 -19.735 -23.882 1.00 14.00 O ATOM 459 CB VAL A 29 -7.912 -22.088 -22.113 1.00 21.00 C ATOM 460 CG1 VAL A 29 -7.658 -20.821 -21.309 1.00 41.00 C ATOM 461 CG2 VAL A 29 -9.308 -22.633 -21.894 1.00 1.00 C ATOM 0 H VAL A 29 -6.113 -20.600 -23.134 1.00 42.00 H new ATOM 0 HA VAL A 29 -7.731 -22.832 -24.107 1.00 43.00 H new ATOM 0 HB VAL A 29 -7.216 -22.843 -21.748 1.00 21.00 H new ATOM 0 HG11 VAL A 29 -7.868 -21.010 -20.256 1.00 41.00 H new ATOM 0 HG12 VAL A 29 -6.617 -20.520 -21.423 1.00 41.00 H new ATOM 0 HG13 VAL A 29 -8.307 -20.024 -21.671 1.00 41.00 H new ATOM 0 HG21 VAL A 29 -9.478 -22.780 -20.827 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -10.040 -21.926 -22.284 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -9.412 -23.586 -22.413 1.00 1.00 H new ATOM 471 N TYR A 30 -9.253 -21.359 -25.274 1.00 64.00 N ATOM 472 CA TYR A 30 -10.214 -20.507 -25.979 1.00 1.00 C ATOM 473 C TYR A 30 -11.514 -20.455 -25.196 1.00 31.00 C ATOM 474 O TYR A 30 -12.246 -19.467 -25.241 1.00 32.00 O ATOM 475 CB TYR A 30 -10.451 -20.991 -27.447 1.00 73.00 C ATOM 476 CG TYR A 30 -11.741 -21.771 -27.700 1.00 70.00 C ATOM 477 CD1 TYR A 30 -11.822 -23.140 -27.511 1.00 71.00 C ATOM 478 CD2 TYR A 30 -12.878 -21.110 -28.133 1.00 24.00 C ATOM 479 CE1 TYR A 30 -13.010 -23.821 -27.747 1.00 21.00 C ATOM 480 CE2 TYR A 30 -14.060 -21.777 -28.367 1.00 64.00 C ATOM 481 CZ TYR A 30 -14.124 -23.129 -28.172 1.00 3.00 C ATOM 482 OH TYR A 30 -15.310 -23.795 -28.417 1.00 54.00 O ATOM 0 H TYR A 30 -9.156 -22.304 -25.647 1.00 64.00 H new ATOM 0 HA TYR A 30 -9.801 -19.501 -26.047 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -10.444 -20.119 -28.101 1.00 73.00 H new ATOM 0 HB3 TYR A 30 -9.609 -21.617 -27.742 1.00 73.00 H new ATOM 0 HD1 TYR A 30 -10.952 -23.685 -27.176 1.00 71.00 H new ATOM 0 HD2 TYR A 30 -12.837 -20.042 -28.292 1.00 24.00 H new ATOM 0 HE1 TYR A 30 -13.060 -24.889 -27.598 1.00 21.00 H new ATOM 0 HE2 TYR A 30 -14.932 -21.235 -28.703 1.00 64.00 H new ATOM 0 HH TYR A 30 -15.991 -23.154 -28.708 1.00 54.00 H new ATOM 492 N ASP A 31 -11.767 -21.524 -24.456 1.00 12.00 N ATOM 493 CA ASP A 31 -13.003 -21.680 -23.710 1.00 64.00 C ATOM 494 C ASP A 31 -12.937 -22.906 -22.827 1.00 51.00 C ATOM 495 O ASP A 31 -12.883 -22.803 -21.605 1.00 34.00 O ATOM 496 CB ASP A 31 -14.201 -21.793 -24.664 1.00 3.00 C ATOM 497 CG ASP A 31 -15.513 -22.043 -23.960 1.00 70.00 C ATOM 498 OD1 ASP A 31 -16.131 -21.083 -23.473 1.00 63.00 O ATOM 499 OD2 ASP A 31 -15.963 -23.182 -23.930 1.00 64.00 O ATOM 0 H ASP A 31 -11.120 -22.307 -24.357 1.00 12.00 H new ATOM 0 HA ASP A 31 -13.133 -20.797 -23.084 1.00 64.00 H new ATOM 0 HB2 ASP A 31 -14.280 -20.874 -25.245 1.00 3.00 H new ATOM 0 HB3 ASP A 31 -14.017 -22.603 -25.370 1.00 3.00 H new ATOM 504 N ASN A 32 -12.901 -24.068 -23.447 1.00 65.00 N ATOM 505 CA ASN A 32 -12.890 -25.310 -22.697 1.00 11.00 C ATOM 506 C ASN A 32 -11.828 -26.270 -23.243 1.00 32.00 C ATOM 507 O ASN A 32 -11.760 -27.428 -22.860 1.00 63.00 O ATOM 508 CB ASN A 32 -14.299 -25.952 -22.736 1.00 2.00 C ATOM 509 CG ASN A 32 -14.466 -27.212 -21.884 1.00 40.00 C ATOM 510 OD1 ASN A 32 -15.162 -28.148 -22.285 1.00 14.00 O ATOM 511 ND2 ASN A 32 -13.904 -27.229 -20.701 1.00 10.00 N ATOM 0 H ASN A 32 -12.879 -24.180 -24.461 1.00 65.00 H new ATOM 0 HA ASN A 32 -12.631 -25.096 -21.660 1.00 11.00 H new ATOM 0 HB2 ASN A 32 -15.027 -25.211 -22.406 1.00 2.00 H new ATOM 0 HB3 ASN A 32 -14.540 -26.198 -23.770 1.00 2.00 H new ATOM 0 HD21 ASN A 32 -14.037 -28.031 -20.085 1.00 10.00 H new ATOM 0 HD22 ASN A 32 -13.333 -26.440 -20.396 1.00 10.00 H new ATOM 518 N GLN A 33 -10.953 -25.785 -24.092 1.00 3.00 N ATOM 519 CA GLN A 33 -9.950 -26.629 -24.633 1.00 13.00 C ATOM 520 C GLN A 33 -8.771 -25.794 -24.859 1.00 53.00 C ATOM 521 O GLN A 33 -8.893 -24.555 -25.037 1.00 64.00 O ATOM 522 CB GLN A 33 -10.378 -27.341 -25.929 1.00 13.00 C ATOM 523 CG GLN A 33 -10.523 -26.435 -27.117 1.00 52.00 C ATOM 524 CD GLN A 33 -11.004 -27.156 -28.359 1.00 72.00 C ATOM 525 OE1 GLN A 33 -10.214 -27.660 -29.151 1.00 12.00 O ATOM 526 NE2 GLN A 33 -12.291 -27.229 -28.535 1.00 60.00 N ATOM 0 H GLN A 33 -10.926 -24.817 -24.412 1.00 3.00 H new ATOM 0 HA GLN A 33 -9.745 -27.435 -23.929 1.00 13.00 H new ATOM 0 HB2 GLN A 33 -9.645 -28.113 -26.164 1.00 13.00 H new ATOM 0 HB3 GLN A 33 -11.328 -27.846 -25.755 1.00 13.00 H new ATOM 0 HG2 GLN A 33 -11.223 -25.636 -26.874 1.00 52.00 H new ATOM 0 HG3 GLN A 33 -9.563 -25.964 -27.327 1.00 52.00 H new ATOM 0 HE21 GLN A 33 -12.923 -26.800 -27.859 1.00 60.00 H new ATOM 0 HE22 GLN A 33 -12.668 -27.715 -29.349 1.00 60.00 H new ATOM 535 N LEU A 34 -7.669 -26.403 -24.819 1.00 32.00 N ATOM 536 CA LEU A 34 -6.451 -25.729 -24.966 1.00 25.00 C ATOM 537 C LEU A 34 -5.929 -25.965 -26.358 1.00 52.00 C ATOM 538 O LEU A 34 -5.872 -27.108 -26.830 1.00 64.00 O ATOM 539 CB LEU A 34 -5.415 -26.201 -23.921 1.00 32.00 C ATOM 540 CG LEU A 34 -5.529 -25.694 -22.451 1.00 14.00 C ATOM 541 CD1 LEU A 34 -5.146 -24.245 -22.343 1.00 22.00 C ATOM 542 CD2 LEU A 34 -6.913 -25.923 -21.857 1.00 33.00 C ATOM 0 H LEU A 34 -7.579 -27.409 -24.680 1.00 32.00 H new ATOM 0 HA LEU A 34 -6.617 -24.664 -24.804 1.00 25.00 H new ATOM 0 HB2 LEU A 34 -5.448 -27.290 -23.895 1.00 32.00 H new ATOM 0 HB3 LEU A 34 -4.428 -25.921 -24.289 1.00 32.00 H new ATOM 0 HG LEU A 34 -4.825 -26.287 -21.867 1.00 14.00 H new ATOM 0 HD11 LEU A 34 -5.236 -23.921 -21.306 1.00 22.00 H new ATOM 0 HD12 LEU A 34 -4.116 -24.115 -22.676 1.00 22.00 H new ATOM 0 HD13 LEU A 34 -5.808 -23.646 -22.969 1.00 22.00 H new ATOM 0 HD21 LEU A 34 -6.935 -25.551 -20.833 1.00 33.00 H new ATOM 0 HD22 LEU A 34 -7.657 -25.393 -22.452 1.00 33.00 H new ATOM 0 HD23 LEU A 34 -7.139 -26.989 -21.861 1.00 33.00 H new ATOM 554 N LEU A 35 -5.604 -24.919 -27.019 1.00 44.00 N ATOM 555 CA LEU A 35 -5.002 -25.006 -28.324 1.00 4.00 C ATOM 556 C LEU A 35 -3.744 -24.167 -28.318 1.00 23.00 C ATOM 557 O LEU A 35 -3.614 -23.258 -27.492 1.00 51.00 O ATOM 558 CB LEU A 35 -5.988 -24.634 -29.493 1.00 22.00 C ATOM 559 CG LEU A 35 -6.474 -23.165 -29.676 1.00 55.00 C ATOM 560 CD1 LEU A 35 -7.390 -23.074 -30.879 1.00 13.00 C ATOM 561 CD2 LEU A 35 -7.188 -22.623 -28.445 1.00 4.00 C ATOM 0 H LEU A 35 -5.742 -23.966 -26.682 1.00 44.00 H new ATOM 0 HA LEU A 35 -4.743 -26.045 -28.528 1.00 4.00 H new ATOM 0 HB2 LEU A 35 -5.510 -24.934 -30.426 1.00 22.00 H new ATOM 0 HB3 LEU A 35 -6.876 -25.255 -29.376 1.00 22.00 H new ATOM 0 HG LEU A 35 -5.586 -22.551 -29.829 1.00 55.00 H new ATOM 0 HD11 LEU A 35 -7.727 -22.045 -31.003 1.00 13.00 H new ATOM 0 HD12 LEU A 35 -6.850 -23.389 -31.772 1.00 13.00 H new ATOM 0 HD13 LEU A 35 -8.253 -23.723 -30.729 1.00 13.00 H new ATOM 0 HD21 LEU A 35 -7.504 -21.596 -28.630 1.00 4.00 H new ATOM 0 HD22 LEU A 35 -8.062 -23.239 -28.231 1.00 4.00 H new ATOM 0 HD23 LEU A 35 -6.510 -22.646 -27.592 1.00 4.00 H new ATOM 573 N HIS A 36 -2.802 -24.496 -29.152 1.00 11.00 N ATOM 574 CA HIS A 36 -1.571 -23.779 -29.184 1.00 51.00 C ATOM 575 C HIS A 36 -1.568 -22.825 -30.350 1.00 32.00 C ATOM 576 O HIS A 36 -1.985 -23.167 -31.452 1.00 14.00 O ATOM 577 CB HIS A 36 -0.345 -24.726 -29.193 1.00 70.00 C ATOM 578 CG HIS A 36 -0.222 -25.621 -30.398 1.00 10.00 C ATOM 579 ND1 HIS A 36 -0.886 -26.821 -30.476 1.00 61.00 N ATOM 580 CD2 HIS A 36 0.505 -25.443 -31.524 1.00 35.00 C ATOM 581 CE1 HIS A 36 -0.542 -27.335 -31.648 1.00 61.00 C ATOM 582 NE2 HIS A 36 0.293 -26.543 -32.310 1.00 74.00 N ATOM 0 H HIS A 36 -2.868 -25.262 -29.822 1.00 11.00 H new ATOM 0 HA HIS A 36 -1.486 -23.196 -28.267 1.00 51.00 H new ATOM 0 HB2 HIS A 36 0.559 -24.121 -29.118 1.00 70.00 H new ATOM 0 HB3 HIS A 36 -0.385 -25.351 -28.301 1.00 70.00 H new ATOM 0 HD2 HIS A 36 1.132 -24.596 -31.758 1.00 35.00 H new ATOM 0 HE1 HIS A 36 -0.898 -28.284 -32.020 1.00 61.00 H new ATOM 0 HE2 HIS A 36 0.699 -26.720 -33.229 1.00 74.00 H new ATOM 590 N LEU A 37 -1.121 -21.656 -30.102 1.00 70.00 N ATOM 591 CA LEU A 37 -1.109 -20.609 -31.078 1.00 10.00 C ATOM 592 C LEU A 37 0.187 -19.953 -30.960 1.00 65.00 C ATOM 593 O LEU A 37 0.903 -20.184 -29.989 1.00 74.00 O ATOM 594 CB LEU A 37 -2.234 -19.567 -30.858 1.00 13.00 C ATOM 595 CG LEU A 37 -3.633 -20.141 -30.685 1.00 34.00 C ATOM 596 CD1 LEU A 37 -3.959 -20.385 -29.221 1.00 32.00 C ATOM 597 CD2 LEU A 37 -4.668 -19.294 -31.350 1.00 32.00 C ATOM 0 H LEU A 37 -0.741 -21.381 -29.196 1.00 70.00 H new ATOM 0 HA LEU A 37 -1.278 -21.036 -32.066 1.00 10.00 H new ATOM 0 HB2 LEU A 37 -1.991 -18.976 -29.975 1.00 13.00 H new ATOM 0 HB3 LEU A 37 -2.243 -18.883 -31.707 1.00 13.00 H new ATOM 0 HG LEU A 37 -3.647 -21.109 -31.185 1.00 34.00 H new ATOM 0 HD11 LEU A 37 -4.965 -20.795 -29.136 1.00 32.00 H new ATOM 0 HD12 LEU A 37 -3.243 -21.092 -28.802 1.00 32.00 H new ATOM 0 HD13 LEU A 37 -3.903 -19.444 -28.674 1.00 32.00 H new ATOM 0 HD21 LEU A 37 -5.652 -19.739 -31.203 1.00 32.00 H new ATOM 0 HD22 LEU A 37 -4.653 -18.294 -30.916 1.00 32.00 H new ATOM 0 HD23 LEU A 37 -4.455 -19.230 -32.417 1.00 32.00 H new ATOM 609 N LYS A 38 0.512 -19.149 -31.888 1.00 23.00 N ATOM 610 CA LYS A 38 1.767 -18.523 -31.850 1.00 53.00 C ATOM 611 C LYS A 38 1.720 -17.220 -32.516 1.00 53.00 C ATOM 612 O LYS A 38 0.817 -16.944 -33.313 1.00 34.00 O ATOM 613 CB LYS A 38 2.840 -19.395 -32.476 1.00 72.00 C ATOM 614 CG LYS A 38 2.844 -19.497 -33.993 1.00 3.00 C ATOM 615 CD LYS A 38 1.577 -20.112 -34.536 1.00 23.00 C ATOM 616 CE LYS A 38 1.701 -20.472 -36.003 1.00 32.00 C ATOM 617 NZ LYS A 38 2.691 -21.555 -36.209 1.00 22.00 N ATOM 0 H LYS A 38 -0.075 -18.907 -32.687 1.00 23.00 H new ATOM 0 HA LYS A 38 2.024 -18.370 -30.802 1.00 53.00 H new ATOM 0 HB2 LYS A 38 3.812 -19.017 -32.159 1.00 72.00 H new ATOM 0 HB3 LYS A 38 2.740 -20.401 -32.068 1.00 72.00 H new ATOM 0 HG2 LYS A 38 2.973 -18.502 -34.420 1.00 3.00 H new ATOM 0 HG3 LYS A 38 3.699 -20.094 -34.311 1.00 3.00 H new ATOM 0 HD2 LYS A 38 1.334 -21.007 -33.963 1.00 23.00 H new ATOM 0 HD3 LYS A 38 0.750 -19.414 -34.403 1.00 23.00 H new ATOM 0 HE2 LYS A 38 0.730 -20.786 -36.386 1.00 32.00 H new ATOM 0 HE3 LYS A 38 1.998 -19.591 -36.572 1.00 32.00 H new ATOM 0 HZ1 LYS A 38 2.511 -22.021 -37.121 1.00 22.00 H new ATOM 0 HZ2 LYS A 38 3.650 -21.153 -36.209 1.00 22.00 H new ATOM 0 HZ3 LYS A 38 2.608 -22.252 -35.442 1.00 22.00 H new ATOM 631 N GLN A 39 2.667 -16.451 -32.184 1.00 15.00 N ATOM 632 CA GLN A 39 2.851 -15.146 -32.715 1.00 52.00 C ATOM 633 C GLN A 39 3.464 -15.212 -34.100 1.00 15.00 C ATOM 634 O GLN A 39 4.653 -15.473 -34.265 1.00 11.00 O ATOM 635 CB GLN A 39 3.664 -14.332 -31.745 1.00 25.00 C ATOM 636 CG GLN A 39 4.097 -12.981 -32.225 1.00 41.00 C ATOM 637 CD GLN A 39 4.768 -12.181 -31.149 1.00 1.00 C ATOM 638 OE1 GLN A 39 4.109 -11.450 -30.418 1.00 51.00 O ATOM 639 NE2 GLN A 39 6.061 -12.288 -31.051 1.00 22.00 N ATOM 0 H GLN A 39 3.378 -16.714 -31.502 1.00 15.00 H new ATOM 0 HA GLN A 39 1.889 -14.649 -32.839 1.00 52.00 H new ATOM 0 HB2 GLN A 39 3.082 -14.202 -30.833 1.00 25.00 H new ATOM 0 HB3 GLN A 39 4.553 -14.903 -31.478 1.00 25.00 H new ATOM 0 HG2 GLN A 39 4.780 -13.099 -33.066 1.00 41.00 H new ATOM 0 HG3 GLN A 39 3.229 -12.434 -32.593 1.00 41.00 H new ATOM 0 HE21 GLN A 39 6.571 -12.909 -31.680 1.00 22.00 H new ATOM 0 HE22 GLN A 39 6.565 -11.751 -30.345 1.00 22.00 H new ATOM 648 N GLY A 40 2.625 -15.019 -35.075 1.00 53.00 N ATOM 649 CA GLY A 40 3.029 -15.110 -36.473 1.00 53.00 C ATOM 650 C GLY A 40 3.236 -13.753 -37.132 1.00 32.00 C ATOM 651 O GLY A 40 4.114 -12.987 -36.731 1.00 54.00 O ATOM 0 H GLY A 40 1.640 -14.794 -34.938 1.00 53.00 H new ATOM 0 HA2 GLY A 40 3.954 -15.683 -36.540 1.00 53.00 H new ATOM 0 HA3 GLY A 40 2.271 -15.663 -37.027 1.00 53.00 H new ATOM 655 N ILE A 41 2.403 -13.430 -38.097 1.00 45.00 N ATOM 656 CA ILE A 41 2.523 -12.184 -38.850 1.00 12.00 C ATOM 657 C ILE A 41 1.759 -11.090 -38.117 1.00 33.00 C ATOM 658 O ILE A 41 0.581 -11.263 -37.808 1.00 5.00 O ATOM 659 CB ILE A 41 1.970 -12.301 -40.322 1.00 12.00 C ATOM 660 CG1 ILE A 41 2.727 -13.363 -41.166 1.00 53.00 C ATOM 661 CG2 ILE A 41 2.025 -10.950 -41.031 1.00 51.00 C ATOM 662 CD1 ILE A 41 2.431 -14.817 -40.828 1.00 53.00 C ATOM 0 H ILE A 41 1.622 -14.018 -38.388 1.00 45.00 H new ATOM 0 HA ILE A 41 3.585 -11.947 -38.922 1.00 12.00 H new ATOM 0 HB ILE A 41 0.934 -12.628 -40.234 1.00 12.00 H new ATOM 0 HG12 ILE A 41 2.490 -13.199 -42.217 1.00 53.00 H new ATOM 0 HG13 ILE A 41 3.798 -13.194 -41.051 1.00 53.00 H new ATOM 0 HG21 ILE A 41 1.639 -11.055 -42.045 1.00 51.00 H new ATOM 0 HG22 ILE A 41 1.419 -10.227 -40.485 1.00 51.00 H new ATOM 0 HG23 ILE A 41 3.057 -10.602 -41.070 1.00 51.00 H new ATOM 0 HD11 ILE A 41 3.014 -15.468 -41.479 1.00 53.00 H new ATOM 0 HD12 ILE A 41 2.697 -15.010 -39.789 1.00 53.00 H new ATOM 0 HD13 ILE A 41 1.369 -15.015 -40.974 1.00 53.00 H new ATOM 674 N SER A 42 2.434 -9.994 -37.797 1.00 45.00 N ATOM 675 CA SER A 42 1.836 -8.905 -37.057 1.00 74.00 C ATOM 676 C SER A 42 0.762 -8.188 -37.875 1.00 70.00 C ATOM 677 O SER A 42 1.060 -7.288 -38.660 1.00 42.00 O ATOM 678 CB SER A 42 2.920 -7.939 -36.629 1.00 55.00 C ATOM 679 OG SER A 42 4.197 -8.565 -36.752 1.00 24.00 O ATOM 0 H SER A 42 3.411 -9.841 -38.046 1.00 45.00 H new ATOM 0 HA SER A 42 1.343 -9.314 -36.175 1.00 74.00 H new ATOM 0 HB2 SER A 42 2.884 -7.040 -37.245 1.00 55.00 H new ATOM 0 HB3 SER A 42 2.755 -7.626 -35.598 1.00 55.00 H new ATOM 0 HG SER A 42 4.897 -7.937 -36.476 1.00 24.00 H new ATOM 685 N ALA A 43 -0.459 -8.684 -37.763 1.00 70.00 N ATOM 686 CA ALA A 43 -1.594 -8.098 -38.391 1.00 15.00 C ATOM 687 C ALA A 43 -1.829 -6.687 -37.869 1.00 24.00 C ATOM 688 O ALA A 43 -1.718 -5.716 -38.614 1.00 24.00 O ATOM 689 CB ALA A 43 -2.824 -8.973 -38.184 1.00 55.00 C ATOM 0 H ALA A 43 -0.675 -9.520 -37.220 1.00 70.00 H new ATOM 0 HA ALA A 43 -1.403 -8.029 -39.462 1.00 15.00 H new ATOM 0 HB1 ALA A 43 -3.684 -8.512 -38.670 1.00 55.00 H new ATOM 0 HB2 ALA A 43 -2.647 -9.958 -38.617 1.00 55.00 H new ATOM 0 HB3 ALA A 43 -3.022 -9.076 -37.117 1.00 55.00 H new ATOM 695 N SER A 44 -2.142 -6.579 -36.587 1.00 64.00 N ATOM 696 CA SER A 44 -2.407 -5.289 -35.965 1.00 41.00 C ATOM 697 C SER A 44 -2.043 -5.325 -34.468 1.00 53.00 C ATOM 698 O SER A 44 -2.584 -4.564 -33.667 1.00 64.00 O ATOM 699 CB SER A 44 -3.902 -4.948 -36.135 1.00 50.00 C ATOM 700 OG SER A 44 -4.278 -4.932 -37.519 1.00 64.00 O ATOM 0 H SER A 44 -2.219 -7.374 -35.953 1.00 64.00 H new ATOM 0 HA SER A 44 -1.796 -4.526 -36.447 1.00 41.00 H new ATOM 0 HB2 SER A 44 -4.507 -5.680 -35.600 1.00 50.00 H new ATOM 0 HB3 SER A 44 -4.109 -3.975 -35.688 1.00 50.00 H new ATOM 0 HG SER A 44 -5.230 -4.715 -37.597 1.00 64.00 H new ATOM 706 N GLY A 45 -1.097 -6.165 -34.099 1.00 64.00 N ATOM 707 CA GLY A 45 -0.757 -6.314 -32.699 1.00 64.00 C ATOM 708 C GLY A 45 0.084 -7.524 -32.469 1.00 65.00 C ATOM 709 O GLY A 45 0.849 -7.933 -33.346 1.00 22.00 O ATOM 0 H GLY A 45 -0.557 -6.747 -34.739 1.00 64.00 H new ATOM 0 HA2 GLY A 45 -0.223 -5.428 -32.356 1.00 64.00 H new ATOM 0 HA3 GLY A 45 -1.669 -6.385 -32.107 1.00 64.00 H new ATOM 713 N ALA A 46 -0.148 -8.168 -31.368 1.00 44.00 N ATOM 714 CA ALA A 46 0.556 -9.302 -30.967 1.00 41.00 C ATOM 715 C ALA A 46 -0.414 -10.332 -31.272 1.00 33.00 C ATOM 716 O ALA A 46 -1.579 -10.235 -30.878 1.00 2.00 O ATOM 717 CB ALA A 46 0.877 -9.253 -29.491 1.00 50.00 C ATOM 0 H ALA A 46 -0.872 -7.888 -30.707 1.00 44.00 H new ATOM 0 HA ALA A 46 1.525 -9.437 -31.448 1.00 41.00 H new ATOM 0 HB1 ALA A 46 1.426 -10.151 -29.208 1.00 50.00 H new ATOM 0 HB2 ALA A 46 1.486 -8.374 -29.280 1.00 50.00 H new ATOM 0 HB3 ALA A 46 -0.049 -9.199 -28.919 1.00 50.00 H new ATOM 723 N ARG A 47 -0.016 -11.260 -31.984 1.00 62.00 N ATOM 724 CA ARG A 47 -0.968 -12.058 -32.618 1.00 14.00 C ATOM 725 C ARG A 47 -0.697 -13.556 -32.460 1.00 30.00 C ATOM 726 O ARG A 47 0.131 -14.106 -33.156 1.00 74.00 O ATOM 727 CB ARG A 47 -1.084 -11.638 -34.120 1.00 12.00 C ATOM 728 CG ARG A 47 0.219 -11.025 -34.738 1.00 12.00 C ATOM 729 CD ARG A 47 1.432 -11.944 -34.587 1.00 11.00 C ATOM 730 NE ARG A 47 2.745 -11.378 -35.000 1.00 63.00 N ATOM 731 CZ ARG A 47 3.519 -10.524 -34.293 1.00 22.00 C ATOM 732 NH1 ARG A 47 2.982 -9.671 -33.438 1.00 51.00 N ATOM 733 NH2 ARG A 47 4.823 -10.450 -34.546 1.00 32.00 N ATOM 0 H ARG A 47 0.960 -11.503 -32.156 1.00 62.00 H new ATOM 0 HA ARG A 47 -1.926 -11.890 -32.127 1.00 14.00 H new ATOM 0 HB2 ARG A 47 -1.369 -12.512 -34.705 1.00 12.00 H new ATOM 0 HB3 ARG A 47 -1.891 -10.912 -34.217 1.00 12.00 H new ATOM 0 HG2 ARG A 47 0.053 -10.820 -35.796 1.00 12.00 H new ATOM 0 HG3 ARG A 47 0.430 -10.070 -34.257 1.00 12.00 H new ATOM 0 HD2 ARG A 47 1.504 -12.247 -33.542 1.00 11.00 H new ATOM 0 HD3 ARG A 47 1.251 -12.848 -35.169 1.00 11.00 H new ATOM 0 HE ARG A 47 3.098 -11.665 -35.913 1.00 63.00 H new ATOM 0 HH11 ARG A 47 1.971 -9.651 -33.305 1.00 51.00 H new ATOM 0 HH12 ARG A 47 3.579 -9.033 -32.912 1.00 51.00 H new ATOM 0 HH21 ARG A 47 5.236 -11.036 -35.271 1.00 32.00 H new ATOM 0 HH22 ARG A 47 5.410 -9.807 -34.015 1.00 32.00 H new ATOM 747 N TYR A 48 -1.359 -14.198 -31.553 1.00 53.00 N ATOM 748 CA TYR A 48 -1.180 -15.594 -31.367 1.00 31.00 C ATOM 749 C TYR A 48 -2.322 -16.244 -32.059 1.00 44.00 C ATOM 750 O TYR A 48 -3.472 -16.078 -31.673 1.00 71.00 O ATOM 751 CB TYR A 48 -1.146 -15.924 -29.878 1.00 61.00 C ATOM 752 CG TYR A 48 -0.131 -15.091 -29.114 1.00 22.00 C ATOM 753 CD1 TYR A 48 1.216 -15.425 -29.114 1.00 71.00 C ATOM 754 CD2 TYR A 48 -0.524 -13.961 -28.406 1.00 2.00 C ATOM 755 CE1 TYR A 48 2.143 -14.657 -28.432 1.00 72.00 C ATOM 756 CE2 TYR A 48 0.394 -13.191 -27.723 1.00 41.00 C ATOM 757 CZ TYR A 48 1.726 -13.544 -27.740 1.00 32.00 C ATOM 758 OH TYR A 48 2.644 -12.772 -27.062 1.00 60.00 O ATOM 0 H TYR A 48 -2.036 -13.767 -30.924 1.00 53.00 H new ATOM 0 HA TYR A 48 -0.235 -15.950 -31.777 1.00 31.00 H new ATOM 0 HB2 TYR A 48 -2.136 -15.763 -29.452 1.00 61.00 H new ATOM 0 HB3 TYR A 48 -0.912 -16.981 -29.750 1.00 61.00 H new ATOM 0 HD1 TYR A 48 1.546 -16.299 -29.655 1.00 71.00 H new ATOM 0 HD2 TYR A 48 -1.567 -13.681 -28.391 1.00 2.00 H new ATOM 0 HE1 TYR A 48 3.188 -14.930 -28.443 1.00 72.00 H new ATOM 0 HE2 TYR A 48 0.071 -12.316 -27.178 1.00 41.00 H new ATOM 0 HH TYR A 48 2.184 -12.023 -26.627 1.00 60.00 H new ATOM 768 N THR A 49 -2.042 -16.886 -33.135 1.00 12.00 N ATOM 769 CA THR A 49 -3.087 -17.451 -33.937 1.00 71.00 C ATOM 770 C THR A 49 -2.578 -18.704 -34.603 1.00 33.00 C ATOM 771 O THR A 49 -1.422 -18.749 -35.049 1.00 51.00 O ATOM 772 CB THR A 49 -3.550 -16.435 -35.008 1.00 0.00 C ATOM 773 OG1 THR A 49 -3.946 -15.206 -34.376 1.00 33.00 O ATOM 774 CG2 THR A 49 -4.706 -16.968 -35.846 1.00 1.00 C ATOM 0 H THR A 49 -1.098 -17.038 -33.489 1.00 12.00 H new ATOM 0 HA THR A 49 -3.938 -17.695 -33.300 1.00 71.00 H new ATOM 0 HB THR A 49 -2.707 -16.261 -35.676 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.083 -14.517 -35.059 1.00 33.00 H new ATOM 0 HG21 THR A 49 -4.996 -16.220 -36.584 1.00 1.00 H new ATOM 0 HG22 THR A 49 -4.395 -17.880 -36.357 1.00 1.00 H new ATOM 0 HG23 THR A 49 -5.555 -17.186 -35.198 1.00 1.00 H new ATOM 782 N ASP A 50 -3.386 -19.722 -34.611 1.00 14.00 N ATOM 783 CA ASP A 50 -3.032 -20.956 -35.253 1.00 2.00 C ATOM 784 C ASP A 50 -3.890 -21.129 -36.493 1.00 62.00 C ATOM 785 O ASP A 50 -3.470 -21.716 -37.484 1.00 55.00 O ATOM 786 CB ASP A 50 -3.214 -22.151 -34.300 1.00 31.00 C ATOM 787 CG ASP A 50 -4.676 -22.469 -33.965 1.00 64.00 C ATOM 788 OD1 ASP A 50 -5.523 -21.522 -33.897 1.00 40.00 O ATOM 789 OD2 ASP A 50 -4.999 -23.672 -33.812 1.00 62.00 O ATOM 0 H ASP A 50 -4.308 -19.722 -34.174 1.00 14.00 H new ATOM 0 HA ASP A 50 -1.980 -20.921 -35.535 1.00 2.00 H new ATOM 0 HB2 ASP A 50 -2.755 -23.032 -34.748 1.00 31.00 H new ATOM 0 HB3 ASP A 50 -2.676 -21.948 -33.374 1.00 31.00 H new ATOM 794 N GLY A 51 -5.086 -20.603 -36.426 1.00 50.00 N ATOM 795 CA GLY A 51 -5.982 -20.657 -37.523 1.00 62.00 C ATOM 796 C GLY A 51 -7.388 -20.967 -37.086 1.00 74.00 C ATOM 797 O GLY A 51 -8.315 -20.839 -37.872 1.00 32.00 O ATOM 0 H GLY A 51 -5.455 -20.127 -35.602 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -5.968 -19.703 -38.050 1.00 62.00 H new ATOM 0 HA3 GLY A 51 -5.646 -21.416 -38.229 1.00 62.00 H new ATOM 801 N ILE A 52 -7.565 -21.378 -35.838 1.00 13.00 N ATOM 802 CA ILE A 52 -8.895 -21.707 -35.342 1.00 52.00 C ATOM 803 C ILE A 52 -9.572 -20.432 -34.838 1.00 35.00 C ATOM 804 O ILE A 52 -10.726 -20.146 -35.168 1.00 40.00 O ATOM 805 CB ILE A 52 -8.843 -22.790 -34.218 1.00 53.00 C ATOM 806 CG1 ILE A 52 -8.090 -24.041 -34.711 1.00 51.00 C ATOM 807 CG2 ILE A 52 -10.251 -23.182 -33.772 1.00 50.00 C ATOM 808 CD1 ILE A 52 -8.692 -24.713 -35.933 1.00 61.00 C ATOM 0 H ILE A 52 -6.814 -21.491 -35.157 1.00 13.00 H new ATOM 0 HA ILE A 52 -9.477 -22.130 -36.161 1.00 52.00 H new ATOM 0 HB ILE A 52 -8.312 -22.363 -33.367 1.00 53.00 H new ATOM 0 HG12 ILE A 52 -7.061 -23.761 -34.939 1.00 51.00 H new ATOM 0 HG13 ILE A 52 -8.051 -24.767 -33.899 1.00 51.00 H new ATOM 0 HG21 ILE A 52 -10.187 -23.937 -32.989 1.00 50.00 H new ATOM 0 HG22 ILE A 52 -10.769 -22.303 -33.387 1.00 50.00 H new ATOM 0 HG23 ILE A 52 -10.803 -23.585 -34.621 1.00 50.00 H new ATOM 0 HD11 ILE A 52 -8.092 -25.582 -36.203 1.00 61.00 H new ATOM 0 HD12 ILE A 52 -9.710 -25.030 -35.709 1.00 61.00 H new ATOM 0 HD13 ILE A 52 -8.706 -24.009 -36.765 1.00 61.00 H new ATOM 820 N TYR A 53 -8.837 -19.680 -34.053 1.00 75.00 N ATOM 821 CA TYR A 53 -9.239 -18.377 -33.562 1.00 72.00 C ATOM 822 C TYR A 53 -8.070 -17.479 -33.656 1.00 33.00 C ATOM 823 O TYR A 53 -6.931 -17.940 -33.789 1.00 63.00 O ATOM 824 CB TYR A 53 -9.704 -18.402 -32.111 1.00 43.00 C ATOM 825 CG TYR A 53 -10.993 -19.149 -31.916 1.00 73.00 C ATOM 826 CD1 TYR A 53 -12.199 -18.499 -32.031 1.00 52.00 C ATOM 827 CD2 TYR A 53 -11.005 -20.510 -31.660 1.00 44.00 C ATOM 828 CE1 TYR A 53 -13.383 -19.176 -31.906 1.00 54.00 C ATOM 829 CE2 TYR A 53 -12.190 -21.196 -31.525 1.00 0.00 C ATOM 830 CZ TYR A 53 -13.378 -20.522 -31.653 1.00 62.00 C ATOM 831 OH TYR A 53 -14.574 -21.201 -31.549 1.00 74.00 O ATOM 0 H TYR A 53 -7.913 -19.964 -33.727 1.00 75.00 H new ATOM 0 HA TYR A 53 -10.080 -18.038 -34.167 1.00 72.00 H new ATOM 0 HB2 TYR A 53 -8.929 -18.860 -31.496 1.00 43.00 H new ATOM 0 HB3 TYR A 53 -9.828 -17.378 -31.758 1.00 43.00 H new ATOM 0 HD1 TYR A 53 -12.213 -17.436 -32.223 1.00 52.00 H new ATOM 0 HD2 TYR A 53 -10.070 -21.041 -31.565 1.00 44.00 H new ATOM 0 HE1 TYR A 53 -14.320 -18.649 -32.007 1.00 54.00 H new ATOM 0 HE2 TYR A 53 -12.185 -22.256 -31.320 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.693 -21.514 -30.628 1.00 74.00 H new ATOM 841 N VAL A 54 -8.336 -16.239 -33.594 1.00 25.00 N ATOM 842 CA VAL A 54 -7.355 -15.218 -33.691 1.00 32.00 C ATOM 843 C VAL A 54 -7.265 -14.537 -32.345 1.00 53.00 C ATOM 844 O VAL A 54 -8.220 -13.885 -31.916 1.00 63.00 O ATOM 845 CB VAL A 54 -7.827 -14.203 -34.732 1.00 32.00 C ATOM 846 CG1 VAL A 54 -6.912 -12.976 -34.801 1.00 64.00 C ATOM 847 CG2 VAL A 54 -7.953 -14.848 -36.108 1.00 5.00 C ATOM 0 H VAL A 54 -9.283 -15.881 -33.469 1.00 25.00 H new ATOM 0 HA VAL A 54 -6.386 -15.625 -33.978 1.00 32.00 H new ATOM 0 HB VAL A 54 -8.812 -13.861 -34.413 1.00 32.00 H new ATOM 0 HG11 VAL A 54 -7.288 -12.284 -35.554 1.00 64.00 H new ATOM 0 HG12 VAL A 54 -6.893 -12.481 -33.830 1.00 64.00 H new ATOM 0 HG13 VAL A 54 -5.903 -13.289 -35.068 1.00 64.00 H new ATOM 0 HG21 VAL A 54 -8.290 -14.104 -36.829 1.00 5.00 H new ATOM 0 HG22 VAL A 54 -6.984 -15.239 -36.417 1.00 5.00 H new ATOM 0 HG23 VAL A 54 -8.675 -15.663 -36.063 1.00 5.00 H new ATOM 857 N PHE A 55 -6.181 -14.736 -31.658 1.00 54.00 N ATOM 858 CA PHE A 55 -5.980 -14.091 -30.386 1.00 75.00 C ATOM 859 C PHE A 55 -5.118 -12.865 -30.599 1.00 13.00 C ATOM 860 O PHE A 55 -3.887 -12.957 -30.746 1.00 21.00 O ATOM 861 CB PHE A 55 -5.357 -15.044 -29.343 1.00 21.00 C ATOM 862 CG PHE A 55 -6.255 -16.184 -28.886 1.00 3.00 C ATOM 863 CD1 PHE A 55 -6.600 -17.212 -29.736 1.00 15.00 C ATOM 864 CD2 PHE A 55 -6.719 -16.231 -27.589 1.00 3.00 C ATOM 865 CE1 PHE A 55 -7.391 -18.262 -29.303 1.00 11.00 C ATOM 866 CE2 PHE A 55 -7.516 -17.274 -27.150 1.00 15.00 C ATOM 867 CZ PHE A 55 -7.848 -18.290 -28.010 1.00 11.00 C ATOM 0 H PHE A 55 -5.416 -15.342 -31.955 1.00 54.00 H new ATOM 0 HA PHE A 55 -6.948 -13.795 -29.981 1.00 75.00 H new ATOM 0 HB2 PHE A 55 -4.444 -15.468 -29.762 1.00 21.00 H new ATOM 0 HB3 PHE A 55 -5.066 -14.460 -28.470 1.00 21.00 H new ATOM 0 HD1 PHE A 55 -6.247 -17.198 -30.757 1.00 15.00 H new ATOM 0 HD2 PHE A 55 -6.456 -15.440 -26.903 1.00 3.00 H new ATOM 0 HE1 PHE A 55 -7.649 -19.060 -29.984 1.00 11.00 H new ATOM 0 HE2 PHE A 55 -7.876 -17.288 -26.132 1.00 15.00 H new ATOM 0 HZ PHE A 55 -8.466 -19.108 -27.671 1.00 11.00 H new ATOM 877 N TRP A 56 -5.763 -11.735 -30.664 1.00 52.00 N ATOM 878 CA TRP A 56 -5.135 -10.508 -30.914 1.00 24.00 C ATOM 879 C TRP A 56 -4.985 -9.761 -29.636 1.00 22.00 C ATOM 880 O TRP A 56 -5.945 -9.457 -28.931 1.00 64.00 O ATOM 881 CB TRP A 56 -5.898 -9.695 -31.971 1.00 44.00 C ATOM 882 CG TRP A 56 -5.456 -8.260 -32.102 1.00 40.00 C ATOM 883 CD1 TRP A 56 -4.183 -7.795 -32.264 1.00 61.00 C ATOM 884 CD2 TRP A 56 -6.303 -7.103 -32.102 1.00 10.00 C ATOM 885 NE1 TRP A 56 -4.190 -6.429 -32.317 1.00 3.00 N ATOM 886 CE2 TRP A 56 -5.475 -5.981 -32.238 1.00 64.00 C ATOM 887 CE3 TRP A 56 -7.681 -6.908 -31.994 1.00 73.00 C ATOM 888 CZ2 TRP A 56 -5.973 -4.683 -32.266 1.00 71.00 C ATOM 889 CZ3 TRP A 56 -8.177 -5.620 -32.024 1.00 65.00 C ATOM 890 CH2 TRP A 56 -7.324 -4.523 -32.159 1.00 32.00 C ATOM 0 H TRP A 56 -6.772 -11.661 -30.538 1.00 52.00 H new ATOM 0 HA TRP A 56 -4.142 -10.691 -31.325 1.00 24.00 H new ATOM 0 HB2 TRP A 56 -5.785 -10.185 -32.938 1.00 44.00 H new ATOM 0 HB3 TRP A 56 -6.960 -9.713 -31.726 1.00 44.00 H new ATOM 0 HD1 TRP A 56 -3.301 -8.414 -32.339 1.00 61.00 H new ATOM 0 HE1 TRP A 56 -3.363 -5.838 -32.402 1.00 3.00 H new ATOM 0 HE3 TRP A 56 -8.348 -7.751 -31.889 1.00 73.00 H new ATOM 0 HZ2 TRP A 56 -5.315 -3.833 -32.369 1.00 71.00 H new ATOM 0 HZ3 TRP A 56 -9.242 -5.458 -31.942 1.00 65.00 H new ATOM 0 HH2 TRP A 56 -7.742 -3.527 -32.179 1.00 32.00 H new ATOM 901 N SER A 57 -3.803 -9.507 -29.348 1.00 42.00 N ATOM 902 CA SER A 57 -3.427 -8.799 -28.199 1.00 13.00 C ATOM 903 C SER A 57 -2.854 -7.498 -28.682 1.00 20.00 C ATOM 904 O SER A 57 -1.863 -7.486 -29.397 1.00 52.00 O ATOM 905 CB SER A 57 -2.391 -9.614 -27.405 1.00 33.00 C ATOM 906 OG SER A 57 -2.043 -8.970 -26.179 1.00 15.00 O ATOM 0 H SER A 57 -3.014 -9.795 -29.927 1.00 42.00 H new ATOM 0 HA SER A 57 -4.268 -8.619 -27.530 1.00 13.00 H new ATOM 0 HB2 SER A 57 -2.791 -10.606 -27.195 1.00 33.00 H new ATOM 0 HB3 SER A 57 -1.495 -9.753 -28.010 1.00 33.00 H new ATOM 0 HG SER A 57 -1.385 -9.515 -25.699 1.00 15.00 H new ATOM 912 N LYS A 58 -3.507 -6.428 -28.385 1.00 32.00 N ATOM 913 CA LYS A 58 -3.035 -5.161 -28.815 1.00 14.00 C ATOM 914 C LYS A 58 -2.040 -4.620 -27.796 1.00 40.00 C ATOM 915 O LYS A 58 -0.832 -4.629 -28.043 1.00 51.00 O ATOM 916 CB LYS A 58 -4.227 -4.257 -29.057 1.00 3.00 C ATOM 917 CG LYS A 58 -3.927 -2.807 -29.309 1.00 72.00 C ATOM 918 CD LYS A 58 -5.218 -2.086 -29.595 1.00 24.00 C ATOM 919 CE LYS A 58 -5.128 -0.618 -29.248 1.00 42.00 C ATOM 920 NZ LYS A 58 -4.965 -0.424 -27.783 1.00 51.00 N ATOM 0 H LYS A 58 -4.372 -6.407 -27.844 1.00 32.00 H new ATOM 0 HA LYS A 58 -2.494 -5.229 -29.759 1.00 14.00 H new ATOM 0 HB2 LYS A 58 -4.781 -4.644 -29.912 1.00 3.00 H new ATOM 0 HB3 LYS A 58 -4.887 -4.324 -28.192 1.00 3.00 H new ATOM 0 HG2 LYS A 58 -3.434 -2.368 -28.442 1.00 72.00 H new ATOM 0 HG3 LYS A 58 -3.243 -2.704 -30.151 1.00 72.00 H new ATOM 0 HD2 LYS A 58 -5.470 -2.196 -30.650 1.00 24.00 H new ATOM 0 HD3 LYS A 58 -6.025 -2.546 -29.025 1.00 24.00 H new ATOM 0 HE2 LYS A 58 -4.286 -0.168 -29.774 1.00 42.00 H new ATOM 0 HE3 LYS A 58 -6.027 -0.105 -29.588 1.00 42.00 H new ATOM 0 HZ1 LYS A 58 -4.754 0.575 -27.587 1.00 51.00 H new ATOM 0 HZ2 LYS A 58 -5.844 -0.694 -27.297 1.00 51.00 H new ATOM 0 HZ3 LYS A 58 -4.183 -1.017 -27.439 1.00 51.00 H new ATOM 934 N GLY A 59 -2.523 -4.210 -26.653 1.00 13.00 N ATOM 935 CA GLY A 59 -1.633 -3.762 -25.618 1.00 45.00 C ATOM 936 C GLY A 59 -2.256 -3.898 -24.266 1.00 24.00 C ATOM 937 O GLY A 59 -1.760 -4.633 -23.406 1.00 63.00 O ATOM 0 H GLY A 59 -3.515 -4.177 -26.418 1.00 13.00 H new ATOM 0 HA2 GLY A 59 -0.710 -4.340 -25.655 1.00 45.00 H new ATOM 0 HA3 GLY A 59 -1.364 -2.720 -25.793 1.00 45.00 H new ATOM 941 N ASP A 60 -3.367 -3.235 -24.090 1.00 60.00 N ATOM 942 CA ASP A 60 -4.089 -3.263 -22.828 1.00 70.00 C ATOM 943 C ASP A 60 -5.162 -4.290 -22.893 1.00 33.00 C ATOM 944 O ASP A 60 -5.640 -4.755 -21.891 1.00 34.00 O ATOM 945 CB ASP A 60 -4.775 -1.921 -22.537 1.00 22.00 C ATOM 946 CG ASP A 60 -3.848 -0.793 -22.210 1.00 70.00 C ATOM 947 OD1 ASP A 60 -3.315 -0.157 -23.130 1.00 41.00 O ATOM 948 OD2 ASP A 60 -3.688 -0.474 -21.015 1.00 54.00 O ATOM 0 H ASP A 60 -3.804 -2.659 -24.810 1.00 60.00 H new ATOM 0 HA ASP A 60 -3.361 -3.482 -22.047 1.00 70.00 H new ATOM 0 HB2 ASP A 60 -5.372 -1.640 -23.404 1.00 22.00 H new ATOM 0 HB3 ASP A 60 -5.466 -2.056 -21.705 1.00 22.00 H new ATOM 953 N GLU A 61 -5.525 -4.650 -24.077 1.00 54.00 N ATOM 954 CA GLU A 61 -6.639 -5.461 -24.314 1.00 51.00 C ATOM 955 C GLU A 61 -6.276 -6.661 -25.127 1.00 24.00 C ATOM 956 O GLU A 61 -5.219 -6.707 -25.793 1.00 12.00 O ATOM 957 CB GLU A 61 -7.745 -4.665 -25.026 1.00 53.00 C ATOM 958 CG GLU A 61 -7.354 -4.108 -26.385 1.00 12.00 C ATOM 959 CD GLU A 61 -6.375 -2.942 -26.337 1.00 63.00 C ATOM 960 OE1 GLU A 61 -5.141 -3.171 -26.277 1.00 4.00 O ATOM 961 OE2 GLU A 61 -6.816 -1.783 -26.390 1.00 45.00 O ATOM 0 H GLU A 61 -5.030 -4.372 -24.924 1.00 54.00 H new ATOM 0 HA GLU A 61 -7.009 -5.801 -23.347 1.00 51.00 H new ATOM 0 HB2 GLU A 61 -8.615 -5.310 -25.150 1.00 53.00 H new ATOM 0 HB3 GLU A 61 -8.049 -3.838 -24.384 1.00 53.00 H new ATOM 0 HG2 GLU A 61 -6.914 -4.910 -26.978 1.00 12.00 H new ATOM 0 HG3 GLU A 61 -8.257 -3.786 -26.904 1.00 12.00 H new ATOM 968 N ALA A 62 -7.139 -7.616 -25.086 1.00 5.00 N ATOM 969 CA ALA A 62 -7.012 -8.781 -25.838 1.00 43.00 C ATOM 970 C ALA A 62 -8.359 -9.031 -26.470 1.00 70.00 C ATOM 971 O ALA A 62 -9.398 -8.905 -25.810 1.00 4.00 O ATOM 972 CB ALA A 62 -6.581 -9.955 -24.970 1.00 3.00 C ATOM 0 H ALA A 62 -7.976 -7.591 -24.503 1.00 5.00 H new ATOM 0 HA ALA A 62 -6.240 -8.671 -26.600 1.00 43.00 H new ATOM 0 HB1 ALA A 62 -6.491 -10.849 -25.586 1.00 3.00 H new ATOM 0 HB2 ALA A 62 -5.618 -9.733 -24.510 1.00 3.00 H new ATOM 0 HB3 ALA A 62 -7.325 -10.124 -24.192 1.00 3.00 H new ATOM 978 N THR A 63 -8.352 -9.284 -27.716 1.00 62.00 N ATOM 979 CA THR A 63 -9.539 -9.523 -28.473 1.00 53.00 C ATOM 980 C THR A 63 -9.347 -10.823 -29.259 1.00 4.00 C ATOM 981 O THR A 63 -8.369 -10.981 -29.980 1.00 35.00 O ATOM 982 CB THR A 63 -9.771 -8.335 -29.425 1.00 14.00 C ATOM 983 OG1 THR A 63 -9.686 -7.113 -28.653 1.00 24.00 O ATOM 984 CG2 THR A 63 -11.143 -8.403 -30.070 1.00 64.00 C ATOM 0 H THR A 63 -7.497 -9.335 -28.269 1.00 62.00 H new ATOM 0 HA THR A 63 -10.409 -9.620 -27.824 1.00 53.00 H new ATOM 0 HB THR A 63 -9.018 -8.365 -30.212 1.00 14.00 H new ATOM 0 HG1 THR A 63 -9.830 -6.343 -29.242 1.00 24.00 H new ATOM 0 HG21 THR A 63 -11.275 -7.550 -30.736 1.00 64.00 H new ATOM 0 HG22 THR A 63 -11.231 -9.327 -30.642 1.00 64.00 H new ATOM 0 HG23 THR A 63 -11.910 -8.381 -29.296 1.00 64.00 H new ATOM 992 N VAL A 64 -10.248 -11.747 -29.088 1.00 43.00 N ATOM 993 CA VAL A 64 -10.138 -13.041 -29.689 1.00 14.00 C ATOM 994 C VAL A 64 -11.301 -13.246 -30.607 1.00 51.00 C ATOM 995 O VAL A 64 -12.438 -13.446 -30.147 1.00 22.00 O ATOM 996 CB VAL A 64 -10.146 -14.149 -28.633 1.00 13.00 C ATOM 997 CG1 VAL A 64 -9.956 -15.501 -29.284 1.00 0.00 C ATOM 998 CG2 VAL A 64 -9.101 -13.893 -27.560 1.00 53.00 C ATOM 0 H VAL A 64 -11.087 -11.620 -28.522 1.00 43.00 H new ATOM 0 HA VAL A 64 -9.195 -13.089 -30.233 1.00 14.00 H new ATOM 0 HB VAL A 64 -11.119 -14.147 -28.141 1.00 13.00 H new ATOM 0 HG11 VAL A 64 -9.964 -16.278 -28.519 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.765 -15.681 -29.992 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.002 -15.520 -29.811 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.131 -14.697 -26.824 1.00 53.00 H new ATOM 0 HG22 VAL A 64 -8.112 -13.856 -28.017 1.00 53.00 H new ATOM 0 HG23 VAL A 64 -9.310 -12.943 -27.068 1.00 53.00 H new ATOM 1008 N TYR A 65 -11.045 -13.218 -31.877 1.00 41.00 N ATOM 1009 CA TYR A 65 -12.107 -13.280 -32.823 1.00 41.00 C ATOM 1010 C TYR A 65 -11.728 -14.015 -34.079 1.00 51.00 C ATOM 1011 O TYR A 65 -10.767 -13.687 -34.740 1.00 21.00 O ATOM 1012 CB TYR A 65 -12.610 -11.855 -33.160 1.00 31.00 C ATOM 1013 CG TYR A 65 -11.623 -10.955 -33.888 1.00 1.00 C ATOM 1014 CD1 TYR A 65 -10.544 -10.370 -33.231 1.00 20.00 C ATOM 1015 CD2 TYR A 65 -11.779 -10.698 -35.241 1.00 51.00 C ATOM 1016 CE1 TYR A 65 -9.657 -9.557 -33.908 1.00 32.00 C ATOM 1017 CE2 TYR A 65 -10.904 -9.888 -35.917 1.00 64.00 C ATOM 1018 CZ TYR A 65 -9.844 -9.318 -35.251 1.00 15.00 C ATOM 1019 OH TYR A 65 -8.972 -8.485 -35.936 1.00 70.00 O ATOM 0 H TYR A 65 -10.110 -13.153 -32.280 1.00 41.00 H new ATOM 0 HA TYR A 65 -12.913 -13.849 -32.358 1.00 41.00 H new ATOM 0 HB2 TYR A 65 -13.509 -11.943 -33.770 1.00 31.00 H new ATOM 0 HB3 TYR A 65 -12.902 -11.365 -32.231 1.00 31.00 H new ATOM 0 HD1 TYR A 65 -10.399 -10.555 -32.177 1.00 20.00 H new ATOM 0 HD2 TYR A 65 -12.606 -11.145 -35.773 1.00 51.00 H new ATOM 0 HE1 TYR A 65 -8.822 -9.111 -33.388 1.00 32.00 H new ATOM 0 HE2 TYR A 65 -11.047 -9.698 -36.970 1.00 64.00 H new ATOM 0 HH TYR A 65 -9.247 -8.425 -36.875 1.00 70.00 H new ATOM 1029 N LYS A 66 -12.428 -15.059 -34.344 1.00 21.00 N ATOM 1030 CA LYS A 66 -12.411 -15.642 -35.593 1.00 23.00 C ATOM 1031 C LYS A 66 -13.604 -15.030 -36.282 1.00 11.00 C ATOM 1032 O LYS A 66 -14.567 -14.637 -35.622 1.00 71.00 O ATOM 1033 CB LYS A 66 -12.610 -17.172 -35.503 1.00 24.00 C ATOM 1034 CG LYS A 66 -12.658 -17.874 -36.862 1.00 60.00 C ATOM 1035 CD LYS A 66 -11.301 -17.925 -37.539 1.00 41.00 C ATOM 1036 CE LYS A 66 -11.424 -18.169 -39.045 1.00 13.00 C ATOM 1037 NZ LYS A 66 -12.300 -19.308 -39.398 1.00 24.00 N ATOM 0 H LYS A 66 -13.034 -15.525 -33.669 1.00 21.00 H new ATOM 0 HA LYS A 66 -11.464 -15.478 -36.108 1.00 23.00 H new ATOM 0 HB2 LYS A 66 -11.799 -17.600 -34.913 1.00 24.00 H new ATOM 0 HB3 LYS A 66 -13.537 -17.377 -34.967 1.00 24.00 H new ATOM 0 HG2 LYS A 66 -13.033 -18.889 -36.730 1.00 60.00 H new ATOM 0 HG3 LYS A 66 -13.364 -17.355 -37.510 1.00 60.00 H new ATOM 0 HD2 LYS A 66 -10.773 -16.988 -37.365 1.00 41.00 H new ATOM 0 HD3 LYS A 66 -10.701 -18.717 -37.091 1.00 41.00 H new ATOM 0 HE2 LYS A 66 -11.809 -17.266 -39.519 1.00 13.00 H new ATOM 0 HE3 LYS A 66 -10.430 -18.346 -39.457 1.00 13.00 H new ATOM 0 HZ1 LYS A 66 -12.141 -19.574 -40.391 1.00 24.00 H new ATOM 0 HZ2 LYS A 66 -12.081 -20.118 -38.783 1.00 24.00 H new ATOM 0 HZ3 LYS A 66 -13.295 -19.034 -39.268 1.00 24.00 H new ATOM 1051 N ARG A 67 -13.530 -14.949 -37.549 1.00 44.00 N ATOM 1052 CA ARG A 67 -14.620 -14.509 -38.440 1.00 5.00 C ATOM 1053 C ARG A 67 -15.939 -15.244 -38.129 1.00 52.00 C ATOM 1054 O ARG A 67 -17.037 -14.718 -38.337 1.00 1.00 O ATOM 1055 CB ARG A 67 -14.206 -14.849 -39.864 1.00 42.00 C ATOM 1056 CG ARG A 67 -15.286 -14.691 -40.905 1.00 15.00 C ATOM 1057 CD ARG A 67 -14.783 -15.190 -42.213 1.00 22.00 C ATOM 1058 NE ARG A 67 -15.797 -15.211 -43.264 1.00 1.00 N ATOM 1059 CZ ARG A 67 -15.516 -15.409 -44.558 1.00 63.00 C ATOM 1060 NH1 ARG A 67 -14.252 -15.508 -44.955 1.00 62.00 N ATOM 1061 NH2 ARG A 67 -16.487 -15.484 -45.453 1.00 53.00 N ATOM 0 H ARG A 67 -12.680 -15.192 -38.058 1.00 44.00 H new ATOM 0 HA ARG A 67 -14.786 -13.441 -38.301 1.00 5.00 H new ATOM 0 HB2 ARG A 67 -13.363 -14.216 -40.140 1.00 42.00 H new ATOM 0 HB3 ARG A 67 -13.852 -15.880 -39.885 1.00 42.00 H new ATOM 0 HG2 ARG A 67 -16.177 -15.245 -40.609 1.00 15.00 H new ATOM 0 HG3 ARG A 67 -15.576 -13.644 -40.989 1.00 15.00 H new ATOM 0 HD2 ARG A 67 -13.952 -14.563 -42.535 1.00 22.00 H new ATOM 0 HD3 ARG A 67 -14.390 -16.198 -42.080 1.00 22.00 H new ATOM 0 HE ARG A 67 -16.771 -15.067 -42.998 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -13.496 -15.433 -44.274 1.00 62.00 H new ATOM 0 HH12 ARG A 67 -14.037 -15.659 -45.941 1.00 62.00 H new ATOM 0 HH21 ARG A 67 -17.459 -15.391 -45.160 1.00 53.00 H new ATOM 0 HH22 ARG A 67 -16.263 -15.635 -46.437 1.00 53.00 H new ATOM 1075 N ASP A 68 -15.801 -16.431 -37.603 1.00 63.00 N ATOM 1076 CA ASP A 68 -16.889 -17.321 -37.367 1.00 71.00 C ATOM 1077 C ASP A 68 -17.293 -17.294 -35.936 1.00 63.00 C ATOM 1078 O ASP A 68 -18.399 -17.698 -35.599 1.00 34.00 O ATOM 1079 CB ASP A 68 -16.473 -18.744 -37.726 1.00 72.00 C ATOM 1080 CG ASP A 68 -16.044 -18.889 -39.156 1.00 35.00 C ATOM 1081 OD1 ASP A 68 -14.861 -18.616 -39.469 1.00 73.00 O ATOM 1082 OD2 ASP A 68 -16.880 -19.278 -39.997 1.00 52.00 O ATOM 0 H ASP A 68 -14.897 -16.811 -37.321 1.00 63.00 H new ATOM 0 HA ASP A 68 -17.729 -17.002 -37.984 1.00 71.00 H new ATOM 0 HB2 ASP A 68 -15.655 -19.052 -37.075 1.00 72.00 H new ATOM 0 HB3 ASP A 68 -17.306 -19.419 -37.533 1.00 72.00 H new ATOM 1087 N ARG A 69 -16.420 -16.791 -35.084 1.00 41.00 N ATOM 1088 CA ARG A 69 -16.665 -16.857 -33.661 1.00 2.00 C ATOM 1089 C ARG A 69 -15.670 -16.013 -32.831 1.00 13.00 C ATOM 1090 O ARG A 69 -14.472 -16.298 -32.779 1.00 1.00 O ATOM 1091 CB ARG A 69 -16.643 -18.330 -33.182 1.00 11.00 C ATOM 1092 CG ARG A 69 -16.921 -18.568 -31.691 1.00 1.00 C ATOM 1093 CD ARG A 69 -18.409 -18.503 -31.317 1.00 14.00 C ATOM 1094 NE ARG A 69 -19.039 -17.194 -31.546 1.00 71.00 N ATOM 1095 CZ ARG A 69 -19.674 -16.478 -30.609 1.00 14.00 C ATOM 1096 NH1 ARG A 69 -19.720 -16.901 -29.355 1.00 2.00 N ATOM 1097 NH2 ARG A 69 -20.262 -15.334 -30.932 1.00 22.00 N ATOM 0 H ARG A 69 -15.546 -16.338 -35.350 1.00 41.00 H new ATOM 0 HA ARG A 69 -17.653 -16.428 -33.496 1.00 2.00 H new ATOM 0 HB2 ARG A 69 -17.380 -18.888 -33.760 1.00 11.00 H new ATOM 0 HB3 ARG A 69 -15.666 -18.752 -33.419 1.00 11.00 H new ATOM 0 HG2 ARG A 69 -16.528 -19.545 -31.410 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -16.377 -17.826 -31.107 1.00 1.00 H new ATOM 0 HD2 ARG A 69 -18.948 -19.257 -31.891 1.00 14.00 H new ATOM 0 HD3 ARG A 69 -18.518 -18.765 -30.265 1.00 14.00 H new ATOM 0 HE ARG A 69 -18.989 -16.803 -32.487 1.00 71.00 H new ATOM 0 HH11 ARG A 69 -19.270 -17.779 -29.096 1.00 2.00 H new ATOM 0 HH12 ARG A 69 -20.206 -16.349 -28.648 1.00 2.00 H new ATOM 0 HH21 ARG A 69 -20.231 -14.999 -31.895 1.00 22.00 H new ATOM 0 HH22 ARG A 69 -20.745 -14.790 -30.218 1.00 22.00 H new ATOM 1111 N ILE A 70 -16.172 -14.955 -32.265 1.00 10.00 N ATOM 1112 CA ILE A 70 -15.482 -14.176 -31.257 1.00 1.00 C ATOM 1113 C ILE A 70 -15.703 -14.853 -29.940 1.00 14.00 C ATOM 1114 O ILE A 70 -16.830 -15.232 -29.604 1.00 44.00 O ATOM 1115 CB ILE A 70 -16.073 -12.756 -31.127 1.00 63.00 C ATOM 1116 CG1 ILE A 70 -16.102 -12.042 -32.457 1.00 2.00 C ATOM 1117 CG2 ILE A 70 -15.305 -11.928 -30.094 1.00 40.00 C ATOM 1118 CD1 ILE A 70 -16.804 -10.694 -32.435 1.00 72.00 C ATOM 0 H ILE A 70 -17.098 -14.593 -32.492 1.00 10.00 H new ATOM 0 HA ILE A 70 -14.431 -14.103 -31.537 1.00 1.00 H new ATOM 0 HB ILE A 70 -17.101 -12.868 -30.782 1.00 63.00 H new ATOM 0 HG12 ILE A 70 -15.077 -11.898 -32.800 1.00 2.00 H new ATOM 0 HG13 ILE A 70 -16.596 -12.682 -33.188 1.00 2.00 H new ATOM 0 HG21 ILE A 70 -15.745 -10.933 -30.025 1.00 40.00 H new ATOM 0 HG22 ILE A 70 -15.360 -12.417 -29.122 1.00 40.00 H new ATOM 0 HG23 ILE A 70 -14.262 -11.843 -30.399 1.00 40.00 H new ATOM 0 HD11 ILE A 70 -16.777 -10.253 -33.432 1.00 72.00 H new ATOM 0 HD12 ILE A 70 -17.841 -10.829 -32.126 1.00 72.00 H new ATOM 0 HD13 ILE A 70 -16.299 -10.032 -31.732 1.00 72.00 H new ATOM 1130 N VAL A 71 -14.669 -14.994 -29.209 1.00 71.00 N ATOM 1131 CA VAL A 71 -14.778 -15.589 -27.903 1.00 4.00 C ATOM 1132 C VAL A 71 -14.430 -14.608 -26.811 1.00 3.00 C ATOM 1133 O VAL A 71 -14.867 -14.744 -25.678 1.00 71.00 O ATOM 1134 CB VAL A 71 -14.112 -16.992 -27.727 1.00 4.00 C ATOM 1135 CG1 VAL A 71 -14.829 -18.015 -28.589 1.00 33.00 C ATOM 1136 CG2 VAL A 71 -12.646 -16.978 -28.079 1.00 63.00 C ATOM 0 H VAL A 71 -13.727 -14.711 -29.477 1.00 71.00 H new ATOM 0 HA VAL A 71 -15.836 -15.829 -27.800 1.00 4.00 H new ATOM 0 HB VAL A 71 -14.197 -17.260 -26.674 1.00 4.00 H new ATOM 0 HG11 VAL A 71 -14.360 -18.991 -28.462 1.00 33.00 H new ATOM 0 HG12 VAL A 71 -15.875 -18.074 -28.290 1.00 33.00 H new ATOM 0 HG13 VAL A 71 -14.767 -17.716 -29.635 1.00 33.00 H new ATOM 0 HG21 VAL A 71 -12.229 -17.975 -27.940 1.00 63.00 H new ATOM 0 HG22 VAL A 71 -12.524 -16.675 -29.119 1.00 63.00 H new ATOM 0 HG23 VAL A 71 -12.123 -16.273 -27.432 1.00 63.00 H new ATOM 1146 N LEU A 72 -13.719 -13.559 -27.185 1.00 72.00 N ATOM 1147 CA LEU A 72 -13.387 -12.468 -26.267 1.00 53.00 C ATOM 1148 C LEU A 72 -13.280 -11.211 -27.048 1.00 73.00 C ATOM 1149 O LEU A 72 -12.677 -11.207 -28.108 1.00 10.00 O ATOM 1150 CB LEU A 72 -12.054 -12.624 -25.512 1.00 13.00 C ATOM 1151 CG LEU A 72 -11.974 -13.618 -24.375 1.00 35.00 C ATOM 1152 CD1 LEU A 72 -11.632 -15.020 -24.865 1.00 52.00 C ATOM 1153 CD2 LEU A 72 -10.997 -13.126 -23.333 1.00 35.00 C ATOM 0 H LEU A 72 -13.354 -13.433 -28.129 1.00 72.00 H new ATOM 0 HA LEU A 72 -14.184 -12.469 -25.524 1.00 53.00 H new ATOM 0 HB2 LEU A 72 -11.291 -12.895 -26.242 1.00 13.00 H new ATOM 0 HB3 LEU A 72 -11.783 -11.646 -25.115 1.00 13.00 H new ATOM 0 HG LEU A 72 -12.959 -13.694 -23.913 1.00 35.00 H new ATOM 0 HD11 LEU A 72 -11.585 -15.701 -24.015 1.00 52.00 H new ATOM 0 HD12 LEU A 72 -12.400 -15.360 -25.560 1.00 52.00 H new ATOM 0 HD13 LEU A 72 -10.666 -15.003 -25.370 1.00 52.00 H new ATOM 0 HD21 LEU A 72 -10.943 -13.846 -22.516 1.00 35.00 H new ATOM 0 HD22 LEU A 72 -10.011 -13.014 -23.783 1.00 35.00 H new ATOM 0 HD23 LEU A 72 -11.331 -12.163 -22.947 1.00 35.00 H new ATOM 1165 N ASN A 73 -13.832 -10.154 -26.567 1.00 21.00 N ATOM 1166 CA ASN A 73 -13.695 -8.892 -27.272 1.00 32.00 C ATOM 1167 C ASN A 73 -13.480 -7.758 -26.321 1.00 51.00 C ATOM 1168 O ASN A 73 -13.446 -6.591 -26.712 1.00 23.00 O ATOM 1169 CB ASN A 73 -14.868 -8.617 -28.218 1.00 61.00 C ATOM 1170 CG ASN A 73 -16.196 -8.491 -27.504 1.00 35.00 C ATOM 1171 OD1 ASN A 73 -16.599 -7.411 -27.104 1.00 24.00 O ATOM 1172 ND2 ASN A 73 -16.884 -9.584 -27.340 1.00 34.00 N ATOM 0 H ASN A 73 -14.377 -10.118 -25.705 1.00 21.00 H new ATOM 0 HA ASN A 73 -12.806 -8.977 -27.897 1.00 32.00 H new ATOM 0 HB2 ASN A 73 -14.672 -7.698 -28.771 1.00 61.00 H new ATOM 0 HB3 ASN A 73 -14.932 -9.422 -28.950 1.00 61.00 H new ATOM 0 HD21 ASN A 73 -17.787 -9.552 -26.866 1.00 34.00 H new ATOM 0 HD22 ASN A 73 -16.520 -10.472 -27.686 1.00 34.00 H new ATOM 1179 N ASN A 74 -13.240 -8.107 -25.093 1.00 50.00 N ATOM 1180 CA ASN A 74 -13.055 -7.152 -24.052 1.00 33.00 C ATOM 1181 C ASN A 74 -12.535 -7.835 -22.808 1.00 12.00 C ATOM 1182 O ASN A 74 -13.284 -8.441 -22.026 1.00 44.00 O ATOM 1183 CB ASN A 74 -14.333 -6.352 -23.732 1.00 43.00 C ATOM 1184 CG ASN A 74 -14.059 -5.193 -22.781 1.00 63.00 C ATOM 1185 OD1 ASN A 74 -13.748 -4.073 -23.207 1.00 62.00 O ATOM 1186 ND2 ASN A 74 -14.172 -5.430 -21.512 1.00 63.00 N ATOM 0 H ASN A 74 -13.167 -9.077 -24.786 1.00 50.00 H new ATOM 0 HA ASN A 74 -12.320 -6.431 -24.411 1.00 33.00 H new ATOM 0 HB2 ASN A 74 -14.761 -5.968 -24.658 1.00 43.00 H new ATOM 0 HB3 ASN A 74 -15.075 -7.016 -23.289 1.00 43.00 H new ATOM 0 HD21 ASN A 74 -14.003 -4.684 -20.837 1.00 63.00 H new ATOM 0 HD22 ASN A 74 -14.430 -6.362 -21.188 1.00 63.00 H new ATOM 1193 N CYS A 75 -11.269 -7.829 -22.715 1.00 51.00 N ATOM 1194 CA CYS A 75 -10.534 -8.235 -21.552 1.00 42.00 C ATOM 1195 C CYS A 75 -9.334 -7.373 -21.572 1.00 72.00 C ATOM 1196 O CYS A 75 -8.916 -6.950 -22.672 1.00 61.00 O ATOM 1197 CB CYS A 75 -10.134 -9.725 -21.528 1.00 71.00 C ATOM 1198 SG CYS A 75 -9.110 -10.157 -20.053 1.00 4.00 S ATOM 0 H CYS A 75 -10.667 -7.527 -23.481 1.00 51.00 H new ATOM 0 HA CYS A 75 -11.151 -8.125 -20.660 1.00 42.00 H new ATOM 0 HB2 CYS A 75 -11.034 -10.340 -21.534 1.00 71.00 H new ATOM 0 HB3 CYS A 75 -9.578 -9.964 -22.435 1.00 71.00 H new ATOM 1203 N GLN A 76 -8.765 -7.095 -20.440 1.00 2.00 N ATOM 1204 CA GLN A 76 -7.747 -6.154 -20.356 1.00 73.00 C ATOM 1205 C GLN A 76 -6.699 -6.683 -19.480 1.00 61.00 C ATOM 1206 O GLN A 76 -6.933 -7.029 -18.322 1.00 40.00 O ATOM 1207 CB GLN A 76 -8.273 -4.786 -19.931 1.00 34.00 C ATOM 1208 CG GLN A 76 -9.169 -4.153 -20.997 1.00 25.00 C ATOM 1209 CD GLN A 76 -9.665 -2.787 -20.616 1.00 24.00 C ATOM 1210 OE1 GLN A 76 -10.728 -2.637 -20.008 1.00 24.00 O ATOM 1211 NE2 GLN A 76 -8.907 -1.782 -20.954 1.00 22.00 N ATOM 0 H GLN A 76 -9.013 -7.532 -19.552 1.00 2.00 H new ATOM 0 HA GLN A 76 -7.310 -5.983 -21.340 1.00 73.00 H new ATOM 0 HB2 GLN A 76 -8.833 -4.887 -19.002 1.00 34.00 H new ATOM 0 HB3 GLN A 76 -7.432 -4.123 -19.726 1.00 34.00 H new ATOM 0 HG2 GLN A 76 -8.616 -4.084 -21.934 1.00 25.00 H new ATOM 0 HG3 GLN A 76 -10.023 -4.805 -21.179 1.00 25.00 H new ATOM 0 HE21 GLN A 76 -8.035 -1.947 -21.456 1.00 22.00 H new ATOM 0 HE22 GLN A 76 -9.186 -0.830 -20.716 1.00 22.00 H new ATOM 1220 N LEU A 77 -5.570 -6.777 -20.043 1.00 50.00 N ATOM 1221 CA LEU A 77 -4.480 -7.408 -19.442 1.00 41.00 C ATOM 1222 C LEU A 77 -3.707 -6.401 -18.596 1.00 72.00 C ATOM 1223 O LEU A 77 -3.492 -5.262 -19.030 1.00 43.00 O ATOM 1224 CB LEU A 77 -3.629 -8.098 -20.561 1.00 33.00 C ATOM 1225 CG LEU A 77 -2.185 -8.596 -20.269 1.00 24.00 C ATOM 1226 CD1 LEU A 77 -1.184 -7.458 -20.222 1.00 2.00 C ATOM 1227 CD2 LEU A 77 -2.124 -9.426 -19.002 1.00 70.00 C ATOM 0 H LEU A 77 -5.372 -6.402 -20.971 1.00 50.00 H new ATOM 0 HA LEU A 77 -4.794 -8.192 -18.753 1.00 41.00 H new ATOM 0 HB2 LEU A 77 -4.199 -8.958 -20.913 1.00 33.00 H new ATOM 0 HB3 LEU A 77 -3.564 -7.396 -21.393 1.00 33.00 H new ATOM 0 HG LEU A 77 -1.905 -9.239 -21.103 1.00 24.00 H new ATOM 0 HD11 LEU A 77 -0.190 -7.856 -20.015 1.00 2.00 H new ATOM 0 HD12 LEU A 77 -1.176 -6.941 -21.182 1.00 2.00 H new ATOM 0 HD13 LEU A 77 -1.466 -6.758 -19.435 1.00 2.00 H new ATOM 0 HD21 LEU A 77 -1.099 -9.756 -18.832 1.00 70.00 H new ATOM 0 HD22 LEU A 77 -2.457 -8.824 -18.156 1.00 70.00 H new ATOM 0 HD23 LEU A 77 -2.772 -10.296 -19.105 1.00 70.00 H new ATOM 1239 N GLN A 78 -3.297 -6.787 -17.405 1.00 61.00 N ATOM 1240 CA GLN A 78 -2.535 -5.845 -16.587 1.00 34.00 C ATOM 1241 C GLN A 78 -1.031 -5.992 -16.783 1.00 13.00 C ATOM 1242 O GLN A 78 -0.323 -4.997 -17.004 1.00 23.00 O ATOM 1243 CB GLN A 78 -2.932 -5.916 -15.118 1.00 42.00 C ATOM 1244 CG GLN A 78 -4.380 -5.511 -14.877 1.00 1.00 C ATOM 1245 CD GLN A 78 -4.660 -4.066 -15.251 1.00 23.00 C ATOM 1246 OE1 GLN A 78 -4.544 -3.167 -14.419 1.00 30.00 O ATOM 1247 NE2 GLN A 78 -5.020 -3.827 -16.494 1.00 13.00 N ATOM 0 H GLN A 78 -3.465 -7.703 -16.989 1.00 61.00 H new ATOM 0 HA GLN A 78 -2.795 -4.846 -16.937 1.00 34.00 H new ATOM 0 HB2 GLN A 78 -2.778 -6.932 -14.754 1.00 42.00 H new ATOM 0 HB3 GLN A 78 -2.277 -5.267 -14.538 1.00 42.00 H new ATOM 0 HG2 GLN A 78 -5.035 -6.164 -15.454 1.00 1.00 H new ATOM 0 HG3 GLN A 78 -4.624 -5.663 -13.826 1.00 1.00 H new ATOM 0 HE21 GLN A 78 -5.106 -4.597 -17.157 1.00 13.00 H new ATOM 0 HE22 GLN A 78 -5.213 -2.871 -16.794 1.00 13.00 H new ATOM 1256 N ASN A 79 -0.554 -7.218 -16.767 1.00 32.00 N ATOM 1257 CA ASN A 79 0.851 -7.531 -16.903 1.00 1.00 C ATOM 1258 C ASN A 79 0.901 -9.000 -17.122 1.00 1.00 C ATOM 1259 O ASN A 79 0.268 -9.730 -16.373 1.00 5.00 O ATOM 1260 CB ASN A 79 1.612 -7.151 -15.610 1.00 21.00 C ATOM 1261 CG ASN A 79 3.081 -7.563 -15.595 1.00 22.00 C ATOM 1262 OD1 ASN A 79 3.731 -7.676 -16.633 1.00 63.00 O ATOM 1263 ND2 ASN A 79 3.613 -7.767 -14.419 1.00 44.00 N ATOM 0 H ASN A 79 -1.145 -8.042 -16.657 1.00 32.00 H new ATOM 0 HA ASN A 79 1.317 -6.981 -17.720 1.00 1.00 H new ATOM 0 HB2 ASN A 79 1.549 -6.072 -15.471 1.00 21.00 H new ATOM 0 HB3 ASN A 79 1.110 -7.612 -14.759 1.00 21.00 H new ATOM 0 HD21 ASN A 79 4.596 -8.028 -14.342 1.00 44.00 H new ATOM 0 HD22 ASN A 79 3.045 -7.665 -13.578 1.00 44.00 H new ATOM 1270 N PRO A 80 1.535 -9.488 -18.181 1.00 70.00 N ATOM 1271 CA PRO A 80 1.569 -10.892 -18.419 1.00 51.00 C ATOM 1272 C PRO A 80 2.720 -11.583 -17.702 1.00 41.00 C ATOM 1273 O PRO A 80 2.795 -12.818 -17.656 1.00 74.00 O ATOM 1274 CB PRO A 80 1.686 -11.007 -19.927 1.00 53.00 C ATOM 1275 CG PRO A 80 2.426 -9.772 -20.347 1.00 22.00 C ATOM 1276 CD PRO A 80 2.219 -8.735 -19.254 1.00 12.00 C ATOM 0 HA PRO A 80 0.682 -11.391 -18.029 1.00 51.00 H new ATOM 0 HB2 PRO A 80 2.226 -11.909 -20.215 1.00 53.00 H new ATOM 0 HB3 PRO A 80 0.704 -11.060 -20.397 1.00 53.00 H new ATOM 0 HG2 PRO A 80 3.487 -9.985 -20.480 1.00 22.00 H new ATOM 0 HG3 PRO A 80 2.052 -9.405 -21.303 1.00 22.00 H new ATOM 0 HD2 PRO A 80 3.167 -8.321 -18.911 1.00 12.00 H new ATOM 0 HD3 PRO A 80 1.614 -7.899 -19.605 1.00 12.00 H new ATOM 1284 N GLN A 81 3.621 -10.801 -17.157 1.00 75.00 N ATOM 1285 CA GLN A 81 4.676 -11.317 -16.409 1.00 10.00 C ATOM 1286 C GLN A 81 4.148 -11.577 -15.022 1.00 41.00 C ATOM 1287 O GLN A 81 4.044 -10.684 -14.194 1.00 3.00 O ATOM 1288 CB GLN A 81 5.823 -10.333 -16.419 1.00 23.00 C ATOM 1289 CG GLN A 81 7.149 -10.890 -15.968 1.00 41.00 C ATOM 1290 CD GLN A 81 7.314 -11.000 -14.461 1.00 34.00 C ATOM 1291 OE1 GLN A 81 6.783 -10.191 -13.705 1.00 10.00 O ATOM 1292 NE2 GLN A 81 8.018 -12.000 -14.018 1.00 55.00 N ATOM 0 H GLN A 81 3.618 -9.784 -17.237 1.00 75.00 H new ATOM 0 HA GLN A 81 5.059 -12.250 -16.823 1.00 10.00 H new ATOM 0 HB2 GLN A 81 5.936 -9.941 -17.430 1.00 23.00 H new ATOM 0 HB3 GLN A 81 5.564 -9.490 -15.778 1.00 23.00 H new ATOM 0 HG2 GLN A 81 7.280 -11.879 -16.407 1.00 41.00 H new ATOM 0 HG3 GLN A 81 7.945 -10.258 -16.362 1.00 41.00 H new ATOM 0 HE21 GLN A 81 8.445 -12.653 -14.674 1.00 55.00 H new ATOM 0 HE22 GLN A 81 8.143 -12.131 -13.014 1.00 55.00 H new ATOM 1301 N ARG A 82 3.679 -12.744 -14.854 1.00 24.00 N ATOM 1302 CA ARG A 82 3.160 -13.188 -13.587 1.00 23.00 C ATOM 1303 C ARG A 82 4.220 -14.053 -12.958 1.00 13.00 C ATOM 1304 O ARG A 82 4.306 -15.231 -13.333 1.00 12.00 O ATOM 1305 CB ARG A 82 1.867 -14.015 -13.765 1.00 50.00 C ATOM 1306 CG ARG A 82 0.891 -13.478 -14.803 1.00 23.00 C ATOM 1307 CD ARG A 82 0.420 -12.064 -14.525 1.00 73.00 C ATOM 1308 NE ARG A 82 -0.555 -11.950 -13.436 1.00 24.00 N ATOM 1309 CZ ARG A 82 -1.612 -11.103 -13.473 1.00 32.00 C ATOM 1310 NH1 ARG A 82 -1.810 -10.333 -14.549 1.00 73.00 N ATOM 1311 NH2 ARG A 82 -2.443 -11.019 -12.444 1.00 52.00 N ATOM 1312 OXT ARG A 82 5.009 -13.562 -12.116 1.00 34.00 O ATOM 0 H ARG A 82 3.634 -13.447 -15.592 1.00 24.00 H new ATOM 0 HA ARG A 82 2.915 -12.326 -12.966 1.00 23.00 H new ATOM 0 HB2 ARG A 82 2.141 -15.033 -14.040 1.00 50.00 H new ATOM 0 HB3 ARG A 82 1.356 -14.071 -12.804 1.00 50.00 H new ATOM 0 HG2 ARG A 82 1.366 -13.507 -15.784 1.00 23.00 H new ATOM 0 HG3 ARG A 82 0.024 -14.137 -14.849 1.00 23.00 H new ATOM 0 HD2 ARG A 82 1.286 -11.447 -14.286 1.00 73.00 H new ATOM 0 HD3 ARG A 82 -0.021 -11.656 -15.435 1.00 73.00 H new ATOM 0 HE ARG A 82 -0.432 -12.537 -12.611 1.00 24.00 H new ATOM 0 HH11 ARG A 82 -1.166 -10.385 -15.338 1.00 73.00 H new ATOM 0 HH12 ARG A 82 -2.605 -9.694 -14.580 1.00 73.00 H new ATOM 0 HH21 ARG A 82 -2.289 -11.595 -11.616 1.00 52.00 H new ATOM 0 HH22 ARG A 82 -3.236 -10.379 -12.480 1.00 52.00 H new TER 1326 ARG A 82