USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 689 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 27 THR OG1 : rot -160:sc= 0.0261 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= -0.0814 USER MOD Set 1.3: A 51 THR OG1 : rot 180:sc= 0.00327 USER MOD Set 2.1: A 12 SER OG : rot -127:sc= 1.14 USER MOD Set 2.2: A 14 THR OG1 : rot 170:sc= 1.11 USER MOD Set 2.3: A 59 TYR OH : rot 180:sc= -0.253 USER MOD Set 3.1: A 9 ASN : amide:sc= -0.0242 K(o=-0.76,f=1.1) USER MOD Set 3.2: A 71 ASN : amide:sc= -0.737 K(o=-0.76,f=1.1) USER MOD Set 4.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 41 ASN : amide:sc= -0.175 K(o=-0.18,f=-0.77) USER MOD Single : A 0 HIS : no HD1:sc=-0.00104 X(o=-0.001,f=-0.12) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.0513 K(o=0.051,f=-0.51) USER MOD Single : A 4 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.96) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.926 X(o=-0.93,f=-1.1) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 36 THR OG1 : rot 129:sc= 1.46 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.38) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 46:sc= 1.3 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= -0.0456 (180deg=-0.0456) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -64:sc= 0.762 USER MOD Single : A 79 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 -11.663 -18.703 -5.443 1.00 54.25 N ATOM 2 CA MET A -2 -10.765 -17.725 -4.839 1.00 24.12 C ATOM 3 C MET A -2 -11.542 -16.728 -3.985 1.00 52.04 C ATOM 4 O MET A -2 -12.221 -15.846 -4.508 1.00 72.11 O ATOM 5 CB MET A -2 -9.981 -16.984 -5.923 1.00 25.32 C ATOM 6 CG MET A -2 -8.734 -17.721 -6.384 1.00 3.42 C ATOM 7 SD MET A -2 -7.609 -16.667 -7.318 1.00 45.21 S ATOM 8 CE MET A -2 -7.061 -17.801 -8.592 1.00 34.12 C ATOM 0 H1 MET A -2 -11.112 -19.371 -6.019 1.00 54.25 H new ATOM 0 H2 MET A -2 -12.164 -19.223 -4.695 1.00 54.25 H new ATOM 0 H3 MET A -2 -12.354 -18.213 -6.046 1.00 54.25 H new ATOM 0 HA MET A -2 -10.066 -18.259 -4.196 1.00 24.12 H new ATOM 0 HB2 MET A -2 -10.632 -16.817 -6.781 1.00 25.32 H new ATOM 0 HB3 MET A -2 -9.694 -16.003 -5.545 1.00 25.32 H new ATOM 0 HG2 MET A -2 -8.212 -18.123 -5.515 1.00 3.42 H new ATOM 0 HG3 MET A -2 -9.026 -18.571 -7.001 1.00 3.42 H new ATOM 0 HE1 MET A -2 -6.357 -17.294 -9.252 1.00 34.12 H new ATOM 0 HE2 MET A -2 -6.572 -18.659 -8.130 1.00 34.12 H new ATOM 0 HE3 MET A -2 -7.920 -18.141 -9.170 1.00 34.12 H new ATOM 18 N GLY A -1 -11.437 -16.877 -2.668 1.00 1.43 N ATOM 19 CA GLY A -1 -12.135 -15.983 -1.763 1.00 13.04 C ATOM 20 C GLY A -1 -11.639 -16.098 -0.335 1.00 33.14 C ATOM 21 O GLY A -1 -11.218 -17.171 0.098 1.00 21.25 O ATOM 0 H GLY A -1 -10.881 -17.601 -2.212 1.00 1.43 H new ATOM 0 HA2 GLY A -1 -12.011 -14.956 -2.105 1.00 13.04 H new ATOM 0 HA3 GLY A -1 -13.202 -16.202 -1.792 1.00 13.04 H new ATOM 25 N HIS A 0 -11.686 -14.990 0.398 1.00 34.31 N ATOM 26 CA HIS A 0 -11.236 -14.973 1.785 1.00 13.52 C ATOM 27 C HIS A 0 -12.074 -14.004 2.615 1.00 25.41 C ATOM 28 O HIS A 0 -12.845 -13.212 2.073 1.00 53.23 O ATOM 29 CB HIS A 0 -9.760 -14.582 1.859 1.00 25.24 C ATOM 30 CG HIS A 0 -8.824 -15.742 1.704 1.00 1.03 C ATOM 31 ND1 HIS A 0 -8.821 -16.825 2.556 1.00 45.34 N ATOM 32 CD2 HIS A 0 -7.861 -15.984 0.786 1.00 43.03 C ATOM 33 CE1 HIS A 0 -7.893 -17.684 2.170 1.00 10.13 C ATOM 34 NE2 HIS A 0 -7.296 -17.197 1.097 1.00 75.12 N ATOM 0 H HIS A 0 -12.031 -14.093 0.055 1.00 34.31 H new ATOM 0 HA HIS A 0 -11.359 -15.976 2.195 1.00 13.52 H new ATOM 0 HB2 HIS A 0 -9.548 -13.848 1.082 1.00 25.24 H new ATOM 0 HB3 HIS A 0 -9.569 -14.097 2.816 1.00 25.24 H new ATOM 0 HD2 HIS A 0 -7.587 -15.343 -0.039 1.00 43.03 H new ATOM 0 HE1 HIS A 0 -7.662 -18.624 2.650 1.00 10.13 H new ATOM 0 HE2 HIS A 0 -6.539 -17.648 0.583 1.00 75.12 H new ATOM 42 N HIS A 1 -11.915 -14.072 3.933 1.00 21.22 N ATOM 43 CA HIS A 1 -12.657 -13.201 4.838 1.00 52.03 C ATOM 44 C HIS A 1 -11.707 -12.420 5.741 1.00 62.11 C ATOM 45 O HIS A 1 -10.890 -13.006 6.453 1.00 54.41 O ATOM 46 CB HIS A 1 -13.629 -14.021 5.688 1.00 31.50 C ATOM 47 CG HIS A 1 -14.766 -14.600 4.904 1.00 2.14 C ATOM 48 ND1 HIS A 1 -15.627 -13.834 4.148 1.00 14.01 N ATOM 49 CD2 HIS A 1 -15.183 -15.881 4.763 1.00 4.13 C ATOM 50 CE1 HIS A 1 -16.523 -14.617 3.575 1.00 32.44 C ATOM 51 NE2 HIS A 1 -16.276 -15.864 3.933 1.00 32.12 N ATOM 0 H HIS A 1 -11.280 -14.721 4.398 1.00 21.22 H new ATOM 0 HA HIS A 1 -13.224 -12.491 4.236 1.00 52.03 H new ATOM 0 HB2 HIS A 1 -13.082 -14.830 6.172 1.00 31.50 H new ATOM 0 HB3 HIS A 1 -14.029 -13.388 6.480 1.00 31.50 H new ATOM 0 HD2 HIS A 1 -14.738 -16.753 5.219 1.00 4.13 H new ATOM 0 HE1 HIS A 1 -17.322 -14.293 2.924 1.00 32.44 H new ATOM 0 HE2 HIS A 1 -16.811 -16.682 3.640 1.00 32.12 H new ATOM 59 N HIS A 2 -11.820 -11.097 5.707 1.00 33.54 N ATOM 60 CA HIS A 2 -10.970 -10.236 6.522 1.00 24.03 C ATOM 61 C HIS A 2 -11.810 -9.377 7.463 1.00 63.52 C ATOM 62 O HIS A 2 -11.509 -8.205 7.686 1.00 4.20 O ATOM 63 CB HIS A 2 -10.108 -9.342 5.631 1.00 32.11 C ATOM 64 CG HIS A 2 -9.195 -10.105 4.721 1.00 2.22 C ATOM 65 ND1 HIS A 2 -8.877 -9.682 3.448 1.00 55.23 N ATOM 66 CD2 HIS A 2 -8.531 -11.270 4.907 1.00 45.43 C ATOM 67 CE1 HIS A 2 -8.057 -10.556 2.889 1.00 2.54 C ATOM 68 NE2 HIS A 2 -7.831 -11.528 3.754 1.00 72.04 N ATOM 0 H HIS A 2 -12.491 -10.597 5.124 1.00 33.54 H new ATOM 0 HA HIS A 2 -10.320 -10.873 7.122 1.00 24.03 H new ATOM 0 HB2 HIS A 2 -10.759 -8.707 5.030 1.00 32.11 H new ATOM 0 HB3 HIS A 2 -9.511 -8.682 6.261 1.00 32.11 H new ATOM 0 HD2 HIS A 2 -8.549 -11.882 5.796 1.00 45.43 H new ATOM 0 HE1 HIS A 2 -7.643 -10.487 1.894 1.00 2.54 H new ATOM 0 HE2 HIS A 2 -7.234 -12.339 3.592 1.00 72.04 H new ATOM 76 N HIS A 3 -12.866 -9.969 8.012 1.00 13.21 N ATOM 77 CA HIS A 3 -13.750 -9.259 8.929 1.00 42.42 C ATOM 78 C HIS A 3 -13.152 -9.209 10.332 1.00 63.20 C ATOM 79 O HIS A 3 -13.161 -8.165 10.985 1.00 2.02 O ATOM 80 CB HIS A 3 -15.124 -9.930 8.970 1.00 1.22 C ATOM 81 CG HIS A 3 -16.246 -8.981 9.258 1.00 65.11 C ATOM 82 ND1 HIS A 3 -16.067 -7.779 9.909 1.00 71.31 N ATOM 83 CD2 HIS A 3 -17.568 -9.061 8.977 1.00 41.43 C ATOM 84 CE1 HIS A 3 -17.230 -7.161 10.018 1.00 65.21 C ATOM 85 NE2 HIS A 3 -18.158 -7.919 9.459 1.00 12.34 N ATOM 0 H HIS A 3 -13.130 -10.939 7.838 1.00 13.21 H new ATOM 0 HA HIS A 3 -13.864 -8.238 8.566 1.00 42.42 H new ATOM 0 HB2 HIS A 3 -15.309 -10.419 8.013 1.00 1.22 H new ATOM 0 HB3 HIS A 3 -15.115 -10.711 9.731 1.00 1.22 H new ATOM 0 HD1 HIS A 3 -15.176 -7.422 10.253 1.00 71.31 H new ATOM 0 HD2 HIS A 3 -18.066 -9.873 8.468 1.00 41.43 H new ATOM 0 HE1 HIS A 3 -17.394 -6.201 10.484 1.00 65.21 H new ATOM 93 N HIS A 4 -12.635 -10.345 10.789 1.00 40.35 N ATOM 94 CA HIS A 4 -12.034 -10.431 12.115 1.00 22.10 C ATOM 95 C HIS A 4 -10.626 -11.015 12.036 1.00 74.02 C ATOM 96 O HIS A 4 -10.377 -12.129 12.495 1.00 44.32 O ATOM 97 CB HIS A 4 -12.901 -11.288 13.037 1.00 1.30 C ATOM 98 CG HIS A 4 -13.247 -12.627 12.462 1.00 5.31 C ATOM 99 ND1 HIS A 4 -14.258 -12.812 11.543 1.00 64.23 N ATOM 100 CD2 HIS A 4 -12.708 -13.849 12.679 1.00 51.54 C ATOM 101 CE1 HIS A 4 -14.327 -14.092 11.221 1.00 54.22 C ATOM 102 NE2 HIS A 4 -13.396 -14.743 11.895 1.00 4.14 N ATOM 0 H HIS A 4 -12.620 -11.218 10.261 1.00 40.35 H new ATOM 0 HA HIS A 4 -11.969 -9.422 12.523 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -12.378 -11.432 13.983 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -13.822 -10.749 13.260 1.00 1.30 H new ATOM 0 HD2 HIS A 4 -11.889 -14.079 13.345 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -15.026 -14.531 10.525 1.00 54.22 H new ATOM 0 HE2 HIS A 4 -13.217 -15.746 11.842 1.00 4.14 H new ATOM 110 N HIS A 5 -9.707 -10.253 11.449 1.00 60.24 N ATOM 111 CA HIS A 5 -8.324 -10.694 11.309 1.00 11.12 C ATOM 112 C HIS A 5 -7.425 -9.993 12.323 1.00 33.24 C ATOM 113 O HIS A 5 -6.457 -9.326 11.955 1.00 12.22 O ATOM 114 CB HIS A 5 -7.822 -10.423 9.891 1.00 22.12 C ATOM 115 CG HIS A 5 -6.635 -11.255 9.508 1.00 33.15 C ATOM 116 ND1 HIS A 5 -6.729 -12.586 9.161 1.00 43.31 N ATOM 117 CD2 HIS A 5 -5.323 -10.935 9.415 1.00 2.04 C ATOM 118 CE1 HIS A 5 -5.526 -13.049 8.875 1.00 73.02 C ATOM 119 NE2 HIS A 5 -4.655 -12.067 9.021 1.00 44.41 N ATOM 0 H HIS A 5 -9.896 -9.328 11.063 1.00 60.24 H new ATOM 0 HA HIS A 5 -8.289 -11.767 11.500 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -8.631 -10.612 9.185 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -7.561 -9.369 9.802 1.00 22.12 H new ATOM 0 HD2 HIS A 5 -4.884 -9.969 9.614 1.00 2.04 H new ATOM 0 HE1 HIS A 5 -5.294 -14.060 8.573 1.00 73.02 H new ATOM 0 HE2 HIS A 5 -3.649 -12.138 8.866 1.00 44.41 H new ATOM 127 N THR A 6 -7.752 -10.146 13.602 1.00 44.42 N ATOM 128 CA THR A 6 -6.976 -9.527 14.669 1.00 11.22 C ATOM 129 C THR A 6 -6.138 -10.561 15.412 1.00 23.31 C ATOM 130 O THR A 6 -6.524 -11.725 15.520 1.00 44.55 O ATOM 131 CB THR A 6 -7.887 -8.799 15.677 1.00 11.30 C ATOM 132 OG1 THR A 6 -9.027 -8.257 15.004 1.00 25.35 O ATOM 133 CG2 THR A 6 -7.130 -7.684 16.383 1.00 51.53 C ATOM 0 H THR A 6 -8.550 -10.694 13.924 1.00 44.42 H new ATOM 0 HA THR A 6 -6.315 -8.800 14.197 1.00 11.22 H new ATOM 0 HB THR A 6 -8.217 -9.522 16.423 1.00 11.30 H new ATOM 0 HG1 THR A 6 -9.601 -7.798 15.652 1.00 25.35 H new ATOM 0 HG21 THR A 6 -7.793 -7.185 17.089 1.00 51.53 H new ATOM 0 HG22 THR A 6 -6.279 -8.105 16.919 1.00 51.53 H new ATOM 0 HG23 THR A 6 -6.775 -6.963 15.647 1.00 51.53 H new ATOM 141 N LYS A 7 -4.991 -10.129 15.924 1.00 74.22 N ATOM 142 CA LYS A 7 -4.098 -11.017 16.659 1.00 52.34 C ATOM 143 C LYS A 7 -4.754 -11.502 17.948 1.00 44.13 C ATOM 144 O LYS A 7 -5.344 -10.719 18.689 1.00 11.03 O ATOM 145 CB LYS A 7 -2.784 -10.300 16.982 1.00 74.23 C ATOM 146 CG LYS A 7 -2.070 -9.760 15.755 1.00 71.23 C ATOM 147 CD LYS A 7 -0.895 -8.876 16.140 1.00 12.54 C ATOM 148 CE LYS A 7 0.050 -8.665 14.968 1.00 45.02 C ATOM 149 NZ LYS A 7 0.908 -7.462 15.155 1.00 71.41 N1+ ATOM 0 H LYS A 7 -4.657 -9.168 15.843 1.00 74.22 H new ATOM 0 HA LYS A 7 -3.888 -11.882 16.030 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -2.988 -9.476 17.666 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -2.121 -10.991 17.503 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -1.717 -10.590 15.143 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -2.771 -9.190 15.146 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -1.263 -7.912 16.490 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -0.353 -9.330 16.969 1.00 12.54 H new ATOM 0 HE2 LYS A 7 0.681 -9.546 14.848 1.00 45.02 H new ATOM 0 HE3 LYS A 7 -0.528 -8.559 14.050 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 1.538 -7.354 14.334 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 0.307 -6.618 15.244 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 1.479 -7.573 16.017 1.00 71.41 H new ATOM 163 N GLY A 8 -4.646 -12.802 18.208 1.00 4.54 N ATOM 164 CA GLY A 8 -5.232 -13.369 19.408 1.00 1.12 C ATOM 165 C GLY A 8 -6.747 -13.320 19.392 1.00 12.44 C ATOM 166 O GLY A 8 -7.340 -12.242 19.409 1.00 42.34 O ATOM 0 H GLY A 8 -4.163 -13.472 17.609 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -4.906 -14.404 19.514 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.863 -12.828 20.279 1.00 1.12 H new ATOM 170 N ASN A 9 -7.375 -14.491 19.359 1.00 51.20 N ATOM 171 CA ASN A 9 -8.830 -14.578 19.338 1.00 63.11 C ATOM 172 C ASN A 9 -9.330 -15.592 20.362 1.00 4.24 C ATOM 173 O ASN A 9 -8.883 -16.738 20.385 1.00 20.25 O ATOM 174 CB ASN A 9 -9.320 -14.964 17.940 1.00 62.31 C ATOM 175 CG ASN A 9 -10.816 -15.205 17.897 1.00 62.52 C ATOM 176 OD1 ASN A 9 -11.278 -16.214 17.364 1.00 73.41 O ATOM 177 ND2 ASN A 9 -11.580 -14.277 18.459 1.00 54.03 N ATOM 0 H ASN A 9 -6.899 -15.393 19.346 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.230 -13.598 19.598 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -9.062 -14.172 17.236 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -8.800 -15.864 17.612 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -12.594 -14.384 18.461 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.153 -13.457 18.889 1.00 54.03 H new ATOM 184 N VAL A 10 -10.262 -15.162 21.207 1.00 11.42 N ATOM 185 CA VAL A 10 -10.824 -16.031 22.233 1.00 24.54 C ATOM 186 C VAL A 10 -12.312 -16.267 21.999 1.00 65.31 C ATOM 187 O VAL A 10 -13.065 -15.332 21.725 1.00 73.33 O ATOM 188 CB VAL A 10 -10.624 -15.441 23.641 1.00 72.34 C ATOM 189 CG1 VAL A 10 -11.030 -16.449 24.705 1.00 4.15 C ATOM 190 CG2 VAL A 10 -9.180 -15.002 23.835 1.00 42.41 C ATOM 0 H VAL A 10 -10.644 -14.216 21.201 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.294 -16.981 22.167 1.00 24.54 H new ATOM 0 HB VAL A 10 -11.263 -14.564 23.742 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.882 -16.014 25.693 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -12.081 -16.710 24.577 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.419 -17.346 24.608 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -9.057 -14.588 24.836 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.519 -15.860 23.714 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.928 -14.243 23.094 1.00 42.41 H new ATOM 200 N THR A 11 -12.732 -17.524 22.108 1.00 10.10 N ATOM 201 CA THR A 11 -14.129 -17.883 21.908 1.00 34.03 C ATOM 202 C THR A 11 -14.533 -19.046 22.808 1.00 20.04 C ATOM 203 O THR A 11 -13.695 -19.858 23.202 1.00 73.43 O ATOM 204 CB THR A 11 -14.408 -18.263 20.442 1.00 22.23 C ATOM 205 OG1 THR A 11 -13.245 -18.866 19.863 1.00 45.23 O ATOM 206 CG2 THR A 11 -14.806 -17.038 19.632 1.00 3.03 C ATOM 0 H THR A 11 -12.123 -18.310 22.334 1.00 10.10 H new ATOM 0 HA THR A 11 -14.720 -17.004 22.167 1.00 34.03 H new ATOM 0 HB THR A 11 -15.233 -18.975 20.425 1.00 22.23 H new ATOM 0 HG1 THR A 11 -13.431 -19.106 18.931 1.00 45.23 H new ATOM 0 HG21 THR A 11 -14.998 -17.331 18.600 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.707 -16.597 20.058 1.00 3.03 H new ATOM 0 HG23 THR A 11 -13.998 -16.307 19.657 1.00 3.03 H new ATOM 214 N SER A 12 -15.821 -19.121 23.128 1.00 72.20 N ATOM 215 CA SER A 12 -16.334 -20.185 23.984 1.00 63.13 C ATOM 216 C SER A 12 -16.664 -21.429 23.166 1.00 64.31 C ATOM 217 O SER A 12 -17.014 -21.339 21.988 1.00 41.10 O ATOM 218 CB SER A 12 -17.580 -19.708 24.733 1.00 31.13 C ATOM 219 OG SER A 12 -17.812 -20.494 25.890 1.00 24.24 O ATOM 0 H SER A 12 -16.528 -18.459 22.808 1.00 72.20 H new ATOM 0 HA SER A 12 -15.560 -20.442 24.707 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.459 -18.663 25.018 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.447 -19.761 24.074 1.00 31.13 H new ATOM 0 HG SER A 12 -18.733 -20.830 25.878 1.00 24.24 H new ATOM 225 N LYS A 13 -16.551 -22.593 23.798 1.00 44.22 N ATOM 226 CA LYS A 13 -16.838 -23.857 23.131 1.00 60.22 C ATOM 227 C LYS A 13 -18.278 -24.290 23.382 1.00 54.30 C ATOM 228 O LYS A 13 -18.618 -25.465 23.243 1.00 2.34 O ATOM 229 CB LYS A 13 -15.875 -24.943 23.618 1.00 51.22 C ATOM 230 CG LYS A 13 -15.593 -26.015 22.580 1.00 2.31 C ATOM 231 CD LYS A 13 -14.494 -26.959 23.038 1.00 13.33 C ATOM 232 CE LYS A 13 -14.583 -28.303 22.332 1.00 53.45 C ATOM 233 NZ LYS A 13 -13.535 -29.250 22.806 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.262 -22.687 24.772 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.703 -23.713 22.059 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -14.934 -24.477 23.912 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.291 -25.413 24.509 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -16.503 -26.582 22.385 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -15.302 -25.545 21.640 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -13.521 -26.508 22.843 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -14.566 -27.107 24.115 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -15.568 -28.737 22.501 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -14.480 -28.156 21.257 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -13.630 -30.154 22.301 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -12.594 -28.847 22.622 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -13.649 -29.411 23.827 1.00 51.21 H new ATOM 247 N THR A 14 -19.124 -23.332 23.750 1.00 41.41 N ATOM 248 CA THR A 14 -20.528 -23.615 24.020 1.00 75.14 C ATOM 249 C THR A 14 -21.384 -23.373 22.783 1.00 53.42 C ATOM 250 O THR A 14 -22.062 -24.279 22.299 1.00 1.11 O ATOM 251 CB THR A 14 -21.062 -22.750 25.178 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.249 -21.582 25.332 1.00 34.11 O ATOM 253 CG2 THR A 14 -21.080 -23.538 26.479 1.00 0.42 C ATOM 0 H THR A 14 -18.861 -22.354 23.868 1.00 41.41 H new ATOM 0 HA THR A 14 -20.591 -24.666 24.302 1.00 75.14 H new ATOM 0 HB THR A 14 -22.083 -22.452 24.939 1.00 22.31 H new ATOM 0 HG1 THR A 14 -20.682 -20.962 25.956 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.461 -22.906 27.282 1.00 0.42 H new ATOM 0 HG22 THR A 14 -21.724 -24.410 26.367 1.00 0.42 H new ATOM 0 HG23 THR A 14 -20.068 -23.863 26.722 1.00 0.42 H new ATOM 261 N ASP A 15 -21.349 -22.146 22.275 1.00 13.30 N ATOM 262 CA ASP A 15 -22.122 -21.786 21.092 1.00 3.24 C ATOM 263 C ASP A 15 -21.206 -21.311 19.969 1.00 54.23 C ATOM 264 O ASP A 15 -21.548 -21.411 18.792 1.00 30.21 O ATOM 265 CB ASP A 15 -23.139 -20.694 21.434 1.00 34.54 C ATOM 266 CG ASP A 15 -24.218 -20.558 20.378 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.959 -21.538 20.158 1.00 25.13 O ATOM 268 OD2 ASP A 15 -24.320 -19.471 19.770 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.794 -21.384 22.664 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.654 -22.674 20.752 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -23.601 -20.920 22.395 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -22.621 -19.741 21.545 1.00 34.54 H new ATOM 273 N GLY A 16 -20.039 -20.794 20.342 1.00 45.50 N ATOM 274 CA GLY A 16 -19.093 -20.311 19.354 1.00 13.14 C ATOM 275 C GLY A 16 -19.033 -18.797 19.299 1.00 50.04 C ATOM 276 O GLY A 16 -18.743 -18.220 18.252 1.00 53.34 O ATOM 0 H GLY A 16 -19.732 -20.701 21.310 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.102 -20.703 19.583 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.369 -20.696 18.372 1.00 13.14 H new ATOM 280 N GLN A 17 -19.310 -18.155 20.429 1.00 15.14 N ATOM 281 CA GLN A 17 -19.288 -16.698 20.504 1.00 71.43 C ATOM 282 C GLN A 17 -17.967 -16.202 21.081 1.00 32.32 C ATOM 283 O GLN A 17 -17.273 -16.913 21.809 1.00 12.20 O ATOM 284 CB GLN A 17 -20.453 -16.194 21.359 1.00 54.31 C ATOM 285 CG GLN A 17 -20.557 -16.881 22.710 1.00 63.40 C ATOM 286 CD GLN A 17 -21.520 -16.180 23.648 1.00 73.24 C ATOM 287 OE1 GLN A 17 -21.106 -15.447 24.547 1.00 3.00 O ATOM 288 NE2 GLN A 17 -22.813 -16.402 23.444 1.00 74.15 N ATOM 0 H GLN A 17 -19.552 -18.619 21.304 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.391 -16.305 19.492 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.341 -15.121 21.514 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -21.385 -16.342 20.813 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -20.882 -17.911 22.565 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -19.570 -16.920 23.171 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -23.112 -17.017 22.687 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -23.508 -15.958 24.044 1.00 74.15 H new ATOM 297 N PRO A 18 -17.607 -14.954 20.748 1.00 51.11 N ATOM 298 CA PRO A 18 -16.366 -14.334 21.222 1.00 61.23 C ATOM 299 C PRO A 18 -16.403 -14.031 22.716 1.00 5.35 C ATOM 300 O PRO A 18 -17.407 -13.539 23.233 1.00 41.13 O ATOM 301 CB PRO A 18 -16.285 -13.036 20.414 1.00 11.54 C ATOM 302 CG PRO A 18 -17.698 -12.724 20.059 1.00 0.34 C ATOM 303 CD PRO A 18 -18.385 -14.050 19.884 1.00 14.12 C ATOM 0 HA PRO A 18 -15.506 -14.990 21.087 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.837 -12.233 20.999 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.671 -13.162 19.522 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.177 -12.137 20.843 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.749 -12.134 19.144 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.431 -14.004 20.189 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.370 -14.376 18.844 1.00 14.12 H new ATOM 311 N ILE A 19 -15.305 -14.325 23.403 1.00 51.31 N ATOM 312 CA ILE A 19 -15.213 -14.082 24.837 1.00 72.32 C ATOM 313 C ILE A 19 -14.957 -12.607 25.129 1.00 61.13 C ATOM 314 O ILE A 19 -13.990 -12.025 24.635 1.00 31.30 O ATOM 315 CB ILE A 19 -14.095 -14.923 25.481 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.326 -16.411 25.209 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.024 -14.655 26.976 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.622 -16.935 25.786 1.00 75.31 C ATOM 0 H ILE A 19 -14.466 -14.732 22.990 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.170 -14.375 25.268 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.142 -14.636 25.036 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.322 -16.580 24.132 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.495 -16.982 25.625 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.229 -15.257 27.416 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.816 -13.599 27.147 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -14.976 -14.917 27.438 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -15.720 -17.996 25.555 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -15.621 -16.797 26.867 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.460 -16.390 25.352 1.00 75.31 H new ATOM 330 N ILE A 20 -15.827 -12.010 25.935 1.00 0.14 N ATOM 331 CA ILE A 20 -15.694 -10.603 26.295 1.00 33.25 C ATOM 332 C ILE A 20 -15.305 -10.446 27.761 1.00 4.43 C ATOM 333 O ILE A 20 -16.036 -10.868 28.656 1.00 31.01 O ATOM 334 CB ILE A 20 -17.000 -9.829 26.035 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.526 -10.131 24.630 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.773 -8.334 26.211 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.821 -9.421 24.305 1.00 42.20 C ATOM 0 H ILE A 20 -16.632 -12.478 26.352 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.906 -10.189 25.666 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.747 -10.152 26.760 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.770 -9.845 23.898 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.675 -11.206 24.530 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.705 -7.800 26.024 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.438 -8.134 27.229 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -16.013 -7.996 25.506 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -19.135 -9.681 23.294 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.591 -9.726 25.014 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.672 -8.343 24.373 1.00 42.20 H new ATOM 349 N GLY A 21 -14.151 -9.832 27.999 1.00 4.13 N ATOM 350 CA GLY A 21 -13.685 -9.628 29.358 1.00 62.52 C ATOM 351 C GLY A 21 -12.821 -10.770 29.853 1.00 10.52 C ATOM 352 O GLY A 21 -12.840 -11.103 31.039 1.00 13.11 O ATOM 0 H GLY A 21 -13.530 -9.472 27.275 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.117 -8.699 29.408 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.544 -9.513 30.020 1.00 62.52 H new ATOM 356 N ALA A 22 -12.062 -11.372 28.945 1.00 14.24 N ATOM 357 CA ALA A 22 -11.187 -12.484 29.296 1.00 24.05 C ATOM 358 C ALA A 22 -9.807 -11.986 29.713 1.00 13.45 C ATOM 359 O ALA A 22 -9.206 -11.155 29.032 1.00 23.13 O ATOM 360 CB ALA A 22 -11.071 -13.453 28.128 1.00 63.11 C ATOM 0 H ALA A 22 -12.035 -11.109 27.960 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.627 -13.007 30.145 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.415 -14.278 28.404 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -12.058 -13.842 27.879 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.657 -12.933 27.264 1.00 63.11 H new ATOM 366 N SER A 23 -9.312 -12.499 30.834 1.00 20.43 N ATOM 367 CA SER A 23 -8.005 -12.102 31.344 1.00 45.41 C ATOM 368 C SER A 23 -6.888 -12.828 30.599 1.00 32.33 C ATOM 369 O SER A 23 -6.704 -14.035 30.756 1.00 40.44 O ATOM 370 CB SER A 23 -7.908 -12.395 32.843 1.00 52.44 C ATOM 371 OG SER A 23 -8.971 -11.783 33.552 1.00 21.24 O ATOM 0 H SER A 23 -9.796 -13.190 31.407 1.00 20.43 H new ATOM 0 HA SER A 23 -7.890 -11.030 31.182 1.00 45.41 H new ATOM 0 HB2 SER A 23 -7.929 -13.472 33.008 1.00 52.44 H new ATOM 0 HB3 SER A 23 -6.954 -12.032 33.227 1.00 52.44 H new ATOM 0 HG SER A 23 -8.887 -11.987 34.507 1.00 21.24 H new ATOM 377 N VAL A 24 -6.146 -12.083 29.788 1.00 70.10 N ATOM 378 CA VAL A 24 -5.046 -12.653 29.018 1.00 11.40 C ATOM 379 C VAL A 24 -3.704 -12.099 29.483 1.00 21.15 C ATOM 380 O VAL A 24 -3.364 -10.950 29.202 1.00 75.44 O ATOM 381 CB VAL A 24 -5.211 -12.374 27.513 1.00 12.12 C ATOM 382 CG1 VAL A 24 -4.037 -12.945 26.732 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.527 -12.944 27.006 1.00 64.12 C ATOM 0 H VAL A 24 -6.286 -11.083 29.646 1.00 70.10 H new ATOM 0 HA VAL A 24 -5.068 -13.730 29.185 1.00 11.40 H new ATOM 0 HB VAL A 24 -5.227 -11.295 27.361 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -4.171 -12.738 25.670 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -3.112 -12.484 27.077 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.986 -14.023 26.888 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.627 -12.737 25.940 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.544 -14.021 27.170 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -7.355 -12.482 27.544 1.00 64.12 H new ATOM 393 N VAL A 25 -2.944 -12.924 30.196 1.00 54.40 N ATOM 394 CA VAL A 25 -1.637 -12.518 30.699 1.00 74.22 C ATOM 395 C VAL A 25 -0.535 -13.425 30.163 1.00 74.52 C ATOM 396 O VAL A 25 -0.704 -14.641 30.081 1.00 52.34 O ATOM 397 CB VAL A 25 -1.599 -12.538 32.238 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.696 -11.655 32.812 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.724 -13.963 32.756 1.00 31.03 C ATOM 0 H VAL A 25 -3.211 -13.878 30.438 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.466 -11.499 30.351 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.638 -12.140 32.565 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.653 -11.682 33.901 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.555 -10.630 32.469 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.668 -12.019 32.478 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.695 -13.958 33.846 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.669 -14.391 32.420 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.898 -14.563 32.374 1.00 31.03 H new ATOM 409 N GLU A 26 0.592 -12.823 29.797 1.00 60.03 N ATOM 410 CA GLU A 26 1.723 -13.578 29.267 1.00 2.03 C ATOM 411 C GLU A 26 2.665 -14.004 30.389 1.00 74.12 C ATOM 412 O GLU A 26 2.899 -13.256 31.338 1.00 32.34 O ATOM 413 CB GLU A 26 2.484 -12.741 28.237 1.00 54.12 C ATOM 414 CG GLU A 26 3.000 -11.421 28.785 1.00 11.04 C ATOM 415 CD GLU A 26 2.020 -10.282 28.580 1.00 42.11 C ATOM 416 OE1 GLU A 26 2.162 -9.550 27.578 1.00 1.54 O ATOM 417 OE2 GLU A 26 1.111 -10.123 29.420 1.00 73.20 O1- ATOM 0 H GLU A 26 0.747 -11.817 29.857 1.00 60.03 H new ATOM 0 HA GLU A 26 1.335 -14.474 28.782 1.00 2.03 H new ATOM 0 HB2 GLU A 26 3.326 -13.322 27.860 1.00 54.12 H new ATOM 0 HB3 GLU A 26 1.829 -12.541 27.389 1.00 54.12 H new ATOM 0 HG2 GLU A 26 3.207 -11.530 29.850 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.944 -11.175 28.300 1.00 11.04 H new ATOM 424 N THR A 27 3.204 -15.215 30.272 1.00 32.44 N ATOM 425 CA THR A 27 4.119 -15.743 31.276 1.00 21.42 C ATOM 426 C THR A 27 5.378 -14.890 31.376 1.00 43.23 C ATOM 427 O THR A 27 5.974 -14.766 32.446 1.00 52.43 O ATOM 428 CB THR A 27 4.522 -17.196 30.960 1.00 43.33 C ATOM 429 OG1 THR A 27 5.033 -17.283 29.625 1.00 43.23 O ATOM 430 CG2 THR A 27 3.333 -18.133 31.115 1.00 11.11 C ATOM 0 H THR A 27 3.022 -15.847 29.492 1.00 32.44 H new ATOM 0 HA THR A 27 3.590 -15.719 32.229 1.00 21.42 H new ATOM 0 HB THR A 27 5.296 -17.497 31.666 1.00 43.33 H new ATOM 0 HG1 THR A 27 4.984 -18.212 29.316 1.00 43.23 H new ATOM 0 HG21 THR A 27 3.642 -19.153 30.887 1.00 11.11 H new ATOM 0 HG22 THR A 27 2.964 -18.086 32.140 1.00 11.11 H new ATOM 0 HG23 THR A 27 2.541 -17.832 30.430 1.00 11.11 H new ATOM 438 N THR A 28 5.779 -14.300 30.254 1.00 30.42 N ATOM 439 CA THR A 28 6.967 -13.458 30.214 1.00 4.41 C ATOM 440 C THR A 28 6.727 -12.134 30.932 1.00 13.12 C ATOM 441 O THR A 28 7.670 -11.471 31.363 1.00 64.00 O ATOM 442 CB THR A 28 7.406 -13.171 28.766 1.00 64.03 C ATOM 443 OG1 THR A 28 6.377 -12.453 28.076 1.00 63.55 O ATOM 444 CG2 THR A 28 7.712 -14.466 28.028 1.00 20.21 C ATOM 0 H THR A 28 5.297 -14.391 29.360 1.00 30.42 H new ATOM 0 HA THR A 28 7.759 -14.007 30.723 1.00 4.41 H new ATOM 0 HB THR A 28 8.312 -12.566 28.796 1.00 64.03 H new ATOM 0 HG1 THR A 28 6.664 -12.273 27.157 1.00 63.55 H new ATOM 0 HG21 THR A 28 8.020 -14.239 27.007 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.515 -14.996 28.540 1.00 20.21 H new ATOM 0 HG23 THR A 28 6.820 -15.092 28.007 1.00 20.21 H new ATOM 452 N ALA A 29 5.459 -11.756 31.057 1.00 21.15 N ATOM 453 CA ALA A 29 5.095 -10.511 31.725 1.00 63.21 C ATOM 454 C ALA A 29 3.610 -10.487 32.067 1.00 61.33 C ATOM 455 O ALA A 29 2.811 -9.857 31.372 1.00 2.51 O ATOM 456 CB ALA A 29 5.458 -9.319 30.853 1.00 62.41 C ATOM 0 H ALA A 29 4.667 -12.293 30.705 1.00 21.15 H new ATOM 0 HA ALA A 29 5.657 -10.449 32.657 1.00 63.21 H new ATOM 0 HB1 ALA A 29 5.181 -8.397 31.364 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.531 -9.320 30.663 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.922 -9.384 29.906 1.00 62.41 H new ATOM 462 N THR A 30 3.244 -11.178 33.143 1.00 64.05 N ATOM 463 CA THR A 30 1.854 -11.236 33.577 1.00 52.03 C ATOM 464 C THR A 30 1.358 -9.865 34.021 1.00 44.32 C ATOM 465 O THR A 30 0.197 -9.513 33.807 1.00 33.44 O ATOM 466 CB THR A 30 1.668 -12.236 34.734 1.00 73.01 C ATOM 467 OG1 THR A 30 2.731 -12.091 35.682 1.00 1.52 O ATOM 468 CG2 THR A 30 1.637 -13.665 34.215 1.00 41.22 C ATOM 0 H THR A 30 3.891 -11.705 33.729 1.00 64.05 H new ATOM 0 HA THR A 30 1.270 -11.570 32.720 1.00 52.03 H new ATOM 0 HB THR A 30 0.716 -12.022 35.220 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.605 -12.729 36.415 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.505 -14.353 35.050 1.00 41.22 H new ATOM 0 HG22 THR A 30 0.809 -13.780 33.516 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.575 -13.888 33.707 1.00 41.22 H new ATOM 476 N THR A 31 2.245 -9.092 34.641 1.00 20.21 N ATOM 477 CA THR A 31 1.897 -7.759 35.115 1.00 74.23 C ATOM 478 C THR A 31 1.311 -6.911 33.992 1.00 5.21 C ATOM 479 O THR A 31 0.454 -6.059 34.227 1.00 44.33 O ATOM 480 CB THR A 31 3.122 -7.035 35.704 1.00 70.21 C ATOM 481 OG1 THR A 31 3.646 -7.779 36.809 1.00 65.04 O ATOM 482 CG2 THR A 31 2.752 -5.632 36.163 1.00 32.33 C ATOM 0 H THR A 31 3.210 -9.367 34.826 1.00 20.21 H new ATOM 0 HA THR A 31 1.149 -7.887 35.897 1.00 74.23 H new ATOM 0 HB THR A 31 3.880 -6.958 34.925 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.426 -7.313 37.177 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.633 -5.140 36.575 1.00 32.33 H new ATOM 0 HG22 THR A 31 2.380 -5.058 35.315 1.00 32.33 H new ATOM 0 HG23 THR A 31 1.978 -5.692 36.928 1.00 32.33 H new ATOM 490 N ASN A 32 1.778 -7.150 32.770 1.00 33.34 N ATOM 491 CA ASN A 32 1.299 -6.408 31.610 1.00 52.15 C ATOM 492 C ASN A 32 0.154 -7.146 30.926 1.00 70.20 C ATOM 493 O ASN A 32 -0.028 -7.047 29.714 1.00 25.25 O ATOM 494 CB ASN A 32 2.441 -6.183 30.616 1.00 21.20 C ATOM 495 CG ASN A 32 2.228 -4.949 29.762 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.757 -3.919 30.244 1.00 74.30 O ATOM 497 ND2 ASN A 32 2.576 -5.047 28.484 1.00 53.21 N ATOM 0 H ASN A 32 2.487 -7.852 32.558 1.00 33.34 H new ATOM 0 HA ASN A 32 0.930 -5.442 31.955 1.00 52.15 H new ATOM 0 HB2 ASN A 32 3.380 -6.087 31.161 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.535 -7.056 29.971 1.00 21.20 H new ATOM 0 HD21 ASN A 32 2.456 -4.249 27.860 1.00 53.21 H new ATOM 0 HD22 ASN A 32 2.963 -5.920 28.126 1.00 53.21 H new ATOM 504 N GLY A 33 -0.620 -7.888 31.715 1.00 61.22 N ATOM 505 CA GLY A 33 -1.739 -8.633 31.168 1.00 53.12 C ATOM 506 C GLY A 33 -2.793 -7.731 30.558 1.00 52.44 C ATOM 507 O GLY A 33 -2.995 -6.603 31.011 1.00 13.13 O ATOM 0 H GLY A 33 -0.491 -7.986 32.722 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.374 -9.325 30.409 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.192 -9.234 31.957 1.00 53.12 H new ATOM 511 N THR A 34 -3.467 -8.225 29.525 1.00 73.43 N ATOM 512 CA THR A 34 -4.505 -7.455 28.850 1.00 24.51 C ATOM 513 C THR A 34 -5.818 -8.227 28.799 1.00 64.20 C ATOM 514 O THR A 34 -5.860 -9.419 29.104 1.00 40.52 O ATOM 515 CB THR A 34 -4.085 -7.084 27.415 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.019 -6.154 26.855 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.008 -8.323 26.536 1.00 1.21 C ATOM 0 H THR A 34 -3.313 -9.156 29.137 1.00 73.43 H new ATOM 0 HA THR A 34 -4.647 -6.542 29.428 1.00 24.51 H new ATOM 0 HB THR A 34 -3.097 -6.625 27.457 1.00 43.53 H new ATOM 0 HG1 THR A 34 -4.743 -5.922 25.944 1.00 72.33 H new ATOM 0 HG21 THR A 34 -3.710 -8.036 25.528 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.275 -9.016 26.948 1.00 1.21 H new ATOM 0 HG23 THR A 34 -4.985 -8.806 26.502 1.00 1.21 H new ATOM 525 N ILE A 35 -6.887 -7.540 28.413 1.00 53.35 N ATOM 526 CA ILE A 35 -8.203 -8.163 28.321 1.00 41.13 C ATOM 527 C ILE A 35 -8.614 -8.365 26.867 1.00 31.20 C ATOM 528 O ILE A 35 -7.942 -7.897 25.947 1.00 21.21 O ATOM 529 CB ILE A 35 -9.276 -7.319 29.035 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.234 -5.873 28.536 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.075 -7.371 30.541 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.523 -5.116 28.769 1.00 62.41 C ATOM 0 H ILE A 35 -6.869 -6.552 28.159 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.129 -9.133 28.813 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.257 -7.735 28.805 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.419 -5.349 29.035 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.009 -5.872 27.470 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.841 -6.770 31.031 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.150 -8.403 30.883 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.090 -6.977 30.790 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.421 -4.099 28.391 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.339 -5.617 28.248 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.739 -5.086 29.837 1.00 62.41 H new ATOM 544 N THR A 36 -9.728 -9.064 26.665 1.00 11.05 N ATOM 545 CA THR A 36 -10.230 -9.329 25.323 1.00 11.35 C ATOM 546 C THR A 36 -11.324 -8.337 24.941 1.00 20.04 C ATOM 547 O THR A 36 -12.048 -7.835 25.800 1.00 42.14 O ATOM 548 CB THR A 36 -10.787 -10.760 25.204 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.749 -10.999 26.237 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.668 -11.786 25.299 1.00 55.34 C ATOM 0 H THR A 36 -10.299 -9.456 27.414 1.00 11.05 H new ATOM 0 HA THR A 36 -9.387 -9.218 24.642 1.00 11.35 H new ATOM 0 HB THR A 36 -11.268 -10.859 24.231 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.573 -11.352 25.841 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.086 -12.789 25.212 1.00 55.34 H new ATOM 0 HG22 THR A 36 -8.953 -11.620 24.493 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.163 -11.685 26.259 1.00 55.34 H new ATOM 558 N ASP A 37 -11.437 -8.060 23.646 1.00 12.13 N ATOM 559 CA ASP A 37 -12.444 -7.128 23.150 1.00 12.53 C ATOM 560 C ASP A 37 -13.804 -7.808 23.036 1.00 15.53 C ATOM 561 O ASP A 37 -13.962 -8.970 23.411 1.00 0.31 O ATOM 562 CB ASP A 37 -12.024 -6.567 21.791 1.00 5.44 C ATOM 563 CG ASP A 37 -10.908 -5.547 21.904 1.00 34.54 C ATOM 564 OD1 ASP A 37 -10.853 -4.632 21.057 1.00 11.40 O ATOM 565 OD2 ASP A 37 -10.089 -5.666 22.839 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.845 -8.467 22.922 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.527 -6.308 23.863 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.700 -7.385 21.148 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.886 -6.106 21.310 1.00 5.44 H new ATOM 570 N PHE A 38 -14.785 -7.078 22.515 1.00 33.31 N ATOM 571 CA PHE A 38 -16.132 -7.610 22.353 1.00 53.25 C ATOM 572 C PHE A 38 -16.125 -8.843 21.454 1.00 61.41 C ATOM 573 O PHE A 38 -16.950 -9.743 21.611 1.00 72.12 O ATOM 574 CB PHE A 38 -17.058 -6.542 21.767 1.00 35.41 C ATOM 575 CG PHE A 38 -17.088 -5.271 22.565 1.00 23.40 C ATOM 576 CD1 PHE A 38 -17.777 -5.207 23.766 1.00 64.43 C ATOM 577 CD2 PHE A 38 -16.428 -4.138 22.116 1.00 13.51 C ATOM 578 CE1 PHE A 38 -17.806 -4.039 24.503 1.00 20.23 C ATOM 579 CE2 PHE A 38 -16.453 -2.967 22.849 1.00 23.43 C ATOM 580 CZ PHE A 38 -17.144 -2.916 24.043 1.00 34.05 C ATOM 0 H PHE A 38 -14.671 -6.115 22.198 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.502 -7.901 23.336 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.740 -6.315 20.750 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -18.069 -6.945 21.702 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -18.297 -6.081 24.130 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -15.887 -4.171 21.182 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -18.345 -4.003 25.438 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -15.932 -2.092 22.488 1.00 23.43 H new ATOM 0 HZ PHE A 38 -17.167 -2.001 24.616 1.00 34.05 H new ATOM 590 N ASP A 39 -15.189 -8.876 20.513 1.00 22.51 N ATOM 591 CA ASP A 39 -15.074 -9.998 19.589 1.00 30.24 C ATOM 592 C ASP A 39 -13.965 -10.950 20.025 1.00 3.40 C ATOM 593 O ASP A 39 -13.424 -11.703 19.217 1.00 20.40 O ATOM 594 CB ASP A 39 -14.799 -9.492 18.171 1.00 73.22 C ATOM 595 CG ASP A 39 -15.090 -10.541 17.115 1.00 23.23 C ATOM 596 OD1 ASP A 39 -15.424 -11.684 17.493 1.00 51.04 O ATOM 597 OD2 ASP A 39 -14.981 -10.220 15.914 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.499 -8.139 20.370 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.019 -10.541 19.597 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -15.408 -8.609 17.979 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.757 -9.183 18.094 1.00 73.22 H new ATOM 602 N GLY A 40 -13.631 -10.910 21.312 1.00 73.03 N ATOM 603 CA GLY A 40 -12.587 -11.773 21.834 1.00 73.43 C ATOM 604 C GLY A 40 -11.229 -11.471 21.232 1.00 75.31 C ATOM 605 O GLY A 40 -10.376 -12.352 21.133 1.00 64.34 O ATOM 0 H GLY A 40 -14.064 -10.296 22.002 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -12.534 -11.660 22.917 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -12.846 -12.813 21.635 1.00 73.43 H new ATOM 609 N ASN A 41 -11.028 -10.221 20.827 1.00 12.43 N ATOM 610 CA ASN A 41 -9.764 -9.805 20.228 1.00 23.51 C ATOM 611 C ASN A 41 -8.967 -8.933 21.194 1.00 23.24 C ATOM 612 O ASN A 41 -9.478 -7.947 21.724 1.00 21.02 O ATOM 613 CB ASN A 41 -10.019 -9.043 18.926 1.00 52.24 C ATOM 614 CG ASN A 41 -10.714 -9.896 17.883 1.00 71.23 C ATOM 615 OD1 ASN A 41 -10.609 -11.123 17.899 1.00 52.35 O ATOM 616 ND2 ASN A 41 -11.429 -9.249 16.971 1.00 22.41 N ATOM 0 H ASN A 41 -11.723 -9.479 20.902 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.182 -10.700 20.008 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -10.628 -8.164 19.136 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -9.070 -8.686 18.526 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.920 -9.770 16.244 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -11.488 -8.231 16.997 1.00 22.41 H new ATOM 623 N PHE A 42 -7.710 -9.304 21.417 1.00 71.21 N ATOM 624 CA PHE A 42 -6.841 -8.557 22.318 1.00 52.03 C ATOM 625 C PHE A 42 -5.526 -8.198 21.632 1.00 31.22 C ATOM 626 O PHE A 42 -5.118 -8.846 20.669 1.00 60.33 O ATOM 627 CB PHE A 42 -6.564 -9.370 23.585 1.00 2.54 C ATOM 628 CG PHE A 42 -6.074 -10.762 23.307 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.719 -11.051 23.323 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.970 -11.783 23.030 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.266 -12.331 23.069 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.523 -13.066 22.776 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.169 -13.340 22.794 1.00 22.53 C ATOM 0 H PHE A 42 -7.271 -10.118 20.986 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.351 -7.634 22.592 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.823 -8.846 24.189 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.477 -9.426 24.178 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.009 -10.266 23.537 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -8.029 -11.573 23.012 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.207 -12.543 23.085 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.231 -13.853 22.564 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.817 -14.341 22.593 1.00 22.53 H new ATOM 643 N THR A 43 -4.867 -7.160 22.136 1.00 70.14 N ATOM 644 CA THR A 43 -3.599 -6.712 21.573 1.00 1.25 C ATOM 645 C THR A 43 -2.561 -6.486 22.666 1.00 72.34 C ATOM 646 O THR A 43 -2.787 -5.714 23.600 1.00 32.41 O ATOM 647 CB THR A 43 -3.771 -5.411 20.765 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.497 -4.950 20.304 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.431 -4.333 21.612 1.00 0.43 C ATOM 0 H THR A 43 -5.190 -6.613 22.934 1.00 70.14 H new ATOM 0 HA THR A 43 -3.253 -7.501 20.906 1.00 1.25 H new ATOM 0 HB THR A 43 -4.412 -5.621 19.909 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.614 -4.124 19.790 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.542 -3.424 21.021 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.413 -4.677 21.938 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.811 -4.125 22.484 1.00 0.43 H new ATOM 657 N LEU A 44 -1.423 -7.159 22.544 1.00 30.33 N ATOM 658 CA LEU A 44 -0.348 -7.031 23.521 1.00 30.51 C ATOM 659 C LEU A 44 1.015 -7.204 22.859 1.00 15.23 C ATOM 660 O LEU A 44 1.316 -8.261 22.303 1.00 43.42 O ATOM 661 CB LEU A 44 -0.521 -8.063 24.637 1.00 2.24 C ATOM 662 CG LEU A 44 -0.344 -7.545 26.065 1.00 41.34 C ATOM 663 CD1 LEU A 44 -0.557 -8.666 27.070 1.00 14.32 C ATOM 664 CD2 LEU A 44 1.033 -6.923 26.239 1.00 72.23 C ATOM 0 H LEU A 44 -1.220 -7.800 21.777 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.398 -6.030 23.949 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.517 -8.498 24.551 1.00 2.24 H new ATOM 0 HB3 LEU A 44 0.194 -8.869 24.473 1.00 2.24 H new ATOM 0 HG LEU A 44 -1.094 -6.775 26.248 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -0.427 -8.278 28.080 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -1.565 -9.065 26.961 1.00 14.32 H new ATOM 0 HD13 LEU A 44 0.169 -9.459 26.890 1.00 14.32 H new ATOM 0 HD21 LEU A 44 1.142 -6.560 27.261 1.00 72.23 H new ATOM 0 HD22 LEU A 44 1.799 -7.672 26.037 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.147 -6.091 25.544 1.00 72.23 H new ATOM 676 N SER A 45 1.836 -6.161 22.924 1.00 73.42 N ATOM 677 CA SER A 45 3.166 -6.198 22.329 1.00 30.11 C ATOM 678 C SER A 45 4.214 -6.589 23.366 1.00 54.45 C ATOM 679 O SER A 45 4.433 -5.875 24.345 1.00 53.14 O ATOM 680 CB SER A 45 3.515 -4.836 21.724 1.00 12.24 C ATOM 681 OG SER A 45 2.469 -4.365 20.893 1.00 52.35 O ATOM 0 H SER A 45 1.603 -5.280 23.383 1.00 73.42 H new ATOM 0 HA SER A 45 3.163 -6.949 21.539 1.00 30.11 H new ATOM 0 HB2 SER A 45 3.702 -4.117 22.522 1.00 12.24 H new ATOM 0 HB3 SER A 45 4.435 -4.916 21.145 1.00 12.24 H new ATOM 0 HG SER A 45 2.715 -3.493 20.520 1.00 52.35 H new ATOM 687 N VAL A 46 4.860 -7.731 23.144 1.00 11.02 N ATOM 688 CA VAL A 46 5.886 -8.218 24.057 1.00 13.10 C ATOM 689 C VAL A 46 7.213 -8.422 23.335 1.00 41.33 C ATOM 690 O VAL A 46 7.264 -8.613 22.120 1.00 34.03 O ATOM 691 CB VAL A 46 5.465 -9.544 24.718 1.00 71.43 C ATOM 692 CG1 VAL A 46 4.467 -9.290 25.838 1.00 64.43 C ATOM 693 CG2 VAL A 46 4.885 -10.495 23.682 1.00 21.52 C ATOM 0 H VAL A 46 4.690 -8.335 22.340 1.00 11.02 H new ATOM 0 HA VAL A 46 6.009 -7.458 24.829 1.00 13.10 H new ATOM 0 HB VAL A 46 6.350 -10.010 25.151 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.181 -10.238 26.293 1.00 64.43 H new ATOM 0 HG12 VAL A 46 4.922 -8.648 26.592 1.00 64.43 H new ATOM 0 HG13 VAL A 46 3.581 -8.801 25.432 1.00 64.43 H new ATOM 0 HG21 VAL A 46 4.593 -11.427 24.167 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.011 -10.038 23.218 1.00 21.52 H new ATOM 0 HG23 VAL A 46 5.635 -10.703 22.919 1.00 21.52 H new ATOM 703 N PRO A 47 8.315 -8.382 24.099 1.00 12.13 N ATOM 704 CA PRO A 47 9.663 -8.562 23.553 1.00 2.21 C ATOM 705 C PRO A 47 9.916 -9.993 23.092 1.00 41.24 C ATOM 706 O PRO A 47 10.604 -10.223 22.098 1.00 33.23 O ATOM 707 CB PRO A 47 10.573 -8.212 24.733 1.00 32.44 C ATOM 708 CG PRO A 47 9.746 -8.481 25.943 1.00 60.01 C ATOM 709 CD PRO A 47 8.329 -8.160 25.555 1.00 52.01 C ATOM 0 HA PRO A 47 9.830 -7.945 22.670 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.478 -8.820 24.729 1.00 32.44 H new ATOM 0 HB3 PRO A 47 10.889 -7.170 24.693 1.00 32.44 H new ATOM 0 HG2 PRO A 47 9.839 -9.521 26.256 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.070 -7.865 26.782 1.00 60.01 H new ATOM 0 HD2 PRO A 47 7.616 -8.806 26.067 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.066 -7.133 25.807 1.00 52.01 H new ATOM 717 N VAL A 48 9.355 -10.953 23.820 1.00 62.33 N ATOM 718 CA VAL A 48 9.518 -12.362 23.484 1.00 40.41 C ATOM 719 C VAL A 48 8.177 -13.087 23.486 1.00 23.10 C ATOM 720 O VAL A 48 7.329 -12.842 24.343 1.00 71.24 O ATOM 721 CB VAL A 48 10.471 -13.067 24.469 1.00 11.01 C ATOM 722 CG1 VAL A 48 9.892 -13.054 25.875 1.00 61.40 C ATOM 723 CG2 VAL A 48 10.751 -14.490 24.011 1.00 30.33 C ATOM 0 H VAL A 48 8.783 -10.780 24.647 1.00 62.33 H new ATOM 0 HA VAL A 48 9.947 -12.401 22.483 1.00 40.41 H new ATOM 0 HB VAL A 48 11.415 -12.523 24.487 1.00 11.01 H new ATOM 0 HG11 VAL A 48 10.579 -13.556 26.556 1.00 61.40 H new ATOM 0 HG12 VAL A 48 9.748 -12.023 26.200 1.00 61.40 H new ATOM 0 HG13 VAL A 48 8.933 -13.573 25.879 1.00 61.40 H new ATOM 0 HG21 VAL A 48 11.426 -14.974 24.718 1.00 30.33 H new ATOM 0 HG22 VAL A 48 9.816 -15.047 23.963 1.00 30.33 H new ATOM 0 HG23 VAL A 48 11.213 -14.470 23.024 1.00 30.33 H new ATOM 733 N ASN A 49 7.993 -13.981 22.521 1.00 53.04 N ATOM 734 CA ASN A 49 6.753 -14.743 22.411 1.00 3.42 C ATOM 735 C ASN A 49 6.950 -16.175 22.898 1.00 15.14 C ATOM 736 O ASN A 49 7.114 -17.097 22.098 1.00 41.55 O ATOM 737 CB ASN A 49 6.261 -14.747 20.962 1.00 63.41 C ATOM 738 CG ASN A 49 7.389 -14.944 19.968 1.00 20.23 C ATOM 739 OD1 ASN A 49 7.699 -16.071 19.580 1.00 0.21 O ATOM 740 ND2 ASN A 49 8.009 -13.847 19.551 1.00 2.13 N ATOM 0 H ASN A 49 8.686 -14.196 21.804 1.00 53.04 H new ATOM 0 HA ASN A 49 6.003 -14.265 23.041 1.00 3.42 H new ATOM 0 HB2 ASN A 49 5.525 -15.540 20.834 1.00 63.41 H new ATOM 0 HB3 ASN A 49 5.755 -13.805 20.751 1.00 63.41 H new ATOM 0 HD21 ASN A 49 8.776 -13.918 18.882 1.00 2.13 H new ATOM 0 HD22 ASN A 49 7.719 -12.933 19.899 1.00 2.13 H new ATOM 747 N SER A 50 6.932 -16.355 24.214 1.00 44.25 N ATOM 748 CA SER A 50 7.111 -17.674 24.809 1.00 32.14 C ATOM 749 C SER A 50 5.770 -18.385 24.968 1.00 64.13 C ATOM 750 O SER A 50 5.430 -19.278 24.190 1.00 43.22 O ATOM 751 CB SER A 50 7.802 -17.555 26.168 1.00 24.20 C ATOM 752 OG SER A 50 7.532 -18.685 26.979 1.00 2.44 O ATOM 0 H SER A 50 6.795 -15.603 24.890 1.00 44.25 H new ATOM 0 HA SER A 50 7.739 -18.264 24.141 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.878 -17.455 26.025 1.00 24.20 H new ATOM 0 HB3 SER A 50 7.463 -16.651 26.674 1.00 24.20 H new ATOM 0 HG SER A 50 7.986 -18.585 27.841 1.00 2.44 H new ATOM 758 N THR A 51 5.011 -17.983 25.982 1.00 5.13 N ATOM 759 CA THR A 51 3.709 -18.581 26.246 1.00 65.34 C ATOM 760 C THR A 51 2.689 -17.522 26.650 1.00 50.11 C ATOM 761 O THR A 51 3.053 -16.423 27.072 1.00 60.11 O ATOM 762 CB THR A 51 3.793 -19.645 27.357 1.00 55.53 C ATOM 763 OG1 THR A 51 5.160 -19.869 27.717 1.00 72.33 O ATOM 764 CG2 THR A 51 3.161 -20.952 26.903 1.00 1.44 C ATOM 0 H THR A 51 5.276 -17.245 26.634 1.00 5.13 H new ATOM 0 HA THR A 51 3.388 -19.058 25.320 1.00 65.34 H new ATOM 0 HB THR A 51 3.245 -19.278 28.225 1.00 55.53 H new ATOM 0 HG1 THR A 51 5.205 -20.545 28.425 1.00 72.33 H new ATOM 0 HG21 THR A 51 3.232 -21.688 27.704 1.00 1.44 H new ATOM 0 HG22 THR A 51 2.113 -20.783 26.657 1.00 1.44 H new ATOM 0 HG23 THR A 51 3.685 -21.323 26.022 1.00 1.44 H new ATOM 772 N LEU A 52 1.410 -17.857 26.517 1.00 33.00 N ATOM 773 CA LEU A 52 0.337 -16.934 26.868 1.00 60.43 C ATOM 774 C LEU A 52 -0.747 -17.642 27.676 1.00 61.44 C ATOM 775 O LEU A 52 -1.333 -18.624 27.222 1.00 62.04 O ATOM 776 CB LEU A 52 -0.271 -16.322 25.605 1.00 25.32 C ATOM 777 CG LEU A 52 0.448 -15.095 25.041 1.00 24.22 C ATOM 778 CD1 LEU A 52 0.016 -14.836 23.606 1.00 0.43 C ATOM 779 CD2 LEU A 52 0.180 -13.874 25.910 1.00 44.14 C ATOM 0 H LEU A 52 1.091 -18.761 26.169 1.00 33.00 H new ATOM 0 HA LEU A 52 0.762 -16.139 27.481 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.300 -17.089 24.831 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -1.304 -16.047 25.819 1.00 25.32 H new ATOM 0 HG LEU A 52 1.520 -15.291 25.046 1.00 24.22 H new ATOM 0 HD11 LEU A 52 0.538 -13.960 23.222 1.00 0.43 H new ATOM 0 HD12 LEU A 52 0.260 -15.702 22.991 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -1.059 -14.660 23.576 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.699 -13.010 25.494 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -0.891 -13.675 25.937 1.00 44.14 H new ATOM 0 HD23 LEU A 52 0.540 -14.061 26.922 1.00 44.14 H new ATOM 791 N LYS A 53 -1.010 -17.134 28.875 1.00 74.15 N ATOM 792 CA LYS A 53 -2.026 -17.714 29.745 1.00 74.21 C ATOM 793 C LYS A 53 -3.318 -16.904 29.689 1.00 31.10 C ATOM 794 O LYS A 53 -3.321 -15.702 29.958 1.00 13.00 O ATOM 795 CB LYS A 53 -1.515 -17.778 31.187 1.00 14.13 C ATOM 796 CG LYS A 53 -2.584 -18.163 32.195 1.00 13.04 C ATOM 797 CD LYS A 53 -2.006 -18.314 33.591 1.00 71.31 C ATOM 798 CE LYS A 53 -3.093 -18.259 34.654 1.00 44.24 C ATOM 799 NZ LYS A 53 -2.573 -18.632 35.999 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.533 -16.322 29.267 1.00 74.15 H new ATOM 0 HA LYS A 53 -2.236 -18.724 29.394 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.699 -18.498 31.243 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -1.102 -16.807 31.461 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.366 -17.404 32.204 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -3.052 -19.099 31.891 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -1.472 -19.261 33.664 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -1.278 -17.523 33.772 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -3.512 -17.254 34.693 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -3.905 -18.933 34.379 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -3.344 -18.582 36.695 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -2.196 -19.601 35.969 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -1.816 -17.974 36.273 1.00 24.22 H new ATOM 813 N ILE A 54 -4.413 -17.570 29.339 1.00 64.31 N ATOM 814 CA ILE A 54 -5.711 -16.913 29.250 1.00 34.23 C ATOM 815 C ILE A 54 -6.723 -17.565 30.186 1.00 24.45 C ATOM 816 O ILE A 54 -6.781 -18.790 30.299 1.00 52.53 O ATOM 817 CB ILE A 54 -6.262 -16.946 27.812 1.00 12.32 C ATOM 818 CG1 ILE A 54 -5.275 -16.281 26.850 1.00 50.32 C ATOM 819 CG2 ILE A 54 -7.617 -16.258 27.748 1.00 55.33 C ATOM 820 CD1 ILE A 54 -5.618 -16.491 25.392 1.00 73.40 C ATOM 0 H ILE A 54 -4.427 -18.564 29.112 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.560 -15.876 29.548 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.390 -17.986 27.511 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -5.243 -15.211 27.057 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -4.276 -16.672 27.040 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.993 -16.290 26.725 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.317 -16.771 28.408 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -7.513 -15.220 28.065 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -4.876 -15.992 24.768 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -5.621 -17.558 25.169 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -6.604 -16.074 25.187 1.00 73.40 H new ATOM 832 N THR A 55 -7.522 -16.738 30.853 1.00 53.10 N ATOM 833 CA THR A 55 -8.533 -17.235 31.778 1.00 62.11 C ATOM 834 C THR A 55 -9.743 -16.308 31.819 1.00 50.41 C ATOM 835 O THR A 55 -9.600 -15.085 31.823 1.00 11.34 O ATOM 836 CB THR A 55 -7.966 -17.384 33.202 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.639 -16.096 33.737 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.730 -18.269 33.203 1.00 13.32 C ATOM 0 H THR A 55 -7.489 -15.722 30.770 1.00 53.10 H new ATOM 0 HA THR A 55 -8.841 -18.215 31.413 1.00 62.11 H new ATOM 0 HB THR A 55 -8.728 -17.852 33.825 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.281 -16.200 34.643 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.348 -18.359 34.220 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.990 -19.257 32.824 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.965 -17.826 32.566 1.00 13.32 H new ATOM 846 N TYR A 56 -10.933 -16.897 31.850 1.00 11.42 N ATOM 847 CA TYR A 56 -12.168 -16.123 31.890 1.00 11.02 C ATOM 848 C TYR A 56 -13.125 -16.678 32.940 1.00 62.40 C ATOM 849 O TYR A 56 -13.498 -17.851 32.898 1.00 41.44 O ATOM 850 CB TYR A 56 -12.842 -16.128 30.516 1.00 44.12 C ATOM 851 CG TYR A 56 -14.021 -15.189 30.418 1.00 65.43 C ATOM 852 CD1 TYR A 56 -13.957 -13.903 30.941 1.00 22.43 C ATOM 853 CD2 TYR A 56 -15.202 -15.587 29.802 1.00 4.15 C ATOM 854 CE1 TYR A 56 -15.034 -13.041 30.853 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.283 -14.732 29.709 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.194 -13.460 30.235 1.00 31.42 C ATOM 857 OH TYR A 56 -17.269 -12.605 30.146 1.00 41.25 O ATOM 0 H TYR A 56 -11.069 -17.908 31.848 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.916 -15.098 32.160 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.107 -15.855 29.759 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.174 -17.141 30.287 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -13.050 -13.571 31.425 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -15.276 -16.582 29.389 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -14.968 -12.045 31.266 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -17.193 -15.058 29.227 1.00 41.03 H new ATOM 0 HH TYR A 56 -16.960 -11.720 29.859 1.00 41.25 H new ATOM 867 N ILE A 57 -13.520 -15.826 33.880 1.00 62.21 N ATOM 868 CA ILE A 57 -14.435 -16.229 34.941 1.00 35.22 C ATOM 869 C ILE A 57 -15.683 -16.894 34.367 1.00 41.02 C ATOM 870 O ILE A 57 -16.419 -16.288 33.590 1.00 74.23 O ATOM 871 CB ILE A 57 -14.858 -15.028 35.806 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.867 -15.469 36.870 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.446 -13.928 34.933 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.883 -14.576 38.091 1.00 34.03 C ATOM 0 H ILE A 57 -13.221 -14.852 33.929 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.899 -16.944 35.565 1.00 35.22 H new ATOM 0 HB ILE A 57 -13.976 -14.632 36.310 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.864 -15.487 36.429 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.636 -16.489 37.178 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.741 -13.085 35.559 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.700 -13.600 34.210 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.319 -14.310 34.405 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.620 -14.947 38.803 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -14.897 -14.577 38.556 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.143 -13.560 37.795 1.00 34.03 H new ATOM 886 N GLY A 58 -15.914 -18.143 34.758 1.00 41.22 N ATOM 887 CA GLY A 58 -17.074 -18.869 34.274 1.00 34.45 C ATOM 888 C GLY A 58 -16.706 -20.198 33.644 1.00 45.03 C ATOM 889 O GLY A 58 -17.274 -21.235 33.989 1.00 23.42 O ATOM 0 H GLY A 58 -15.319 -18.665 35.401 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.762 -19.041 35.102 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.602 -18.258 33.542 1.00 34.45 H new ATOM 893 N TYR A 59 -15.754 -20.168 32.718 1.00 61.23 N ATOM 894 CA TYR A 59 -15.314 -21.379 32.036 1.00 30.13 C ATOM 895 C TYR A 59 -13.910 -21.777 32.483 1.00 1.25 C ATOM 896 O TYR A 59 -13.226 -21.019 33.172 1.00 60.34 O ATOM 897 CB TYR A 59 -15.337 -21.172 30.521 1.00 42.25 C ATOM 898 CG TYR A 59 -16.732 -21.111 29.940 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.171 -22.069 29.033 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.612 -20.097 30.297 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.445 -22.016 28.499 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.887 -20.038 29.769 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.299 -20.999 28.871 1.00 4.31 C ATOM 904 OH TYR A 59 -20.568 -20.944 28.342 1.00 24.41 O ATOM 0 H TYR A 59 -15.273 -19.319 32.423 1.00 61.23 H new ATOM 0 HA TYR A 59 -16.002 -22.183 32.298 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.812 -20.248 30.281 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.789 -21.984 30.043 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.506 -22.868 28.741 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.294 -19.341 31.000 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.770 -22.767 27.794 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.558 -19.243 30.058 1.00 61.12 H new ATOM 0 HH TYR A 59 -21.041 -20.168 28.707 1.00 24.41 H new ATOM 914 N LYS A 60 -13.487 -22.972 32.087 1.00 52.23 N ATOM 915 CA LYS A 60 -12.166 -23.473 32.444 1.00 72.32 C ATOM 916 C LYS A 60 -11.070 -22.616 31.817 1.00 51.35 C ATOM 917 O LYS A 60 -11.283 -21.928 30.818 1.00 73.04 O ATOM 918 CB LYS A 60 -12.010 -24.928 31.993 1.00 13.13 C ATOM 919 CG LYS A 60 -12.748 -25.920 32.875 1.00 75.30 C ATOM 920 CD LYS A 60 -12.150 -25.977 34.271 1.00 4.44 C ATOM 921 CE LYS A 60 -11.346 -27.251 34.481 1.00 2.10 C ATOM 922 NZ LYS A 60 -9.888 -27.025 34.277 1.00 3.41 N1+ ATOM 0 H LYS A 60 -14.041 -23.612 31.518 1.00 52.23 H new ATOM 0 HA LYS A 60 -12.067 -23.422 33.528 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.374 -25.024 30.970 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.951 -25.184 31.980 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -13.799 -25.639 32.940 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -12.710 -26.910 32.421 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.508 -25.110 34.429 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -12.947 -25.922 35.012 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.518 -27.627 35.489 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -11.695 -28.019 33.791 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -9.374 -27.916 34.429 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -9.721 -26.690 33.307 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -9.550 -26.311 34.953 1.00 3.41 H new ATOM 936 N PRO A 61 -9.871 -22.658 32.414 1.00 20.42 N ATOM 937 CA PRO A 61 -8.718 -21.891 31.930 1.00 52.34 C ATOM 938 C PRO A 61 -8.185 -22.422 30.603 1.00 43.11 C ATOM 939 O PRO A 61 -8.519 -23.532 30.189 1.00 71.32 O ATOM 940 CB PRO A 61 -7.677 -22.078 33.037 1.00 12.55 C ATOM 941 CG PRO A 61 -8.047 -23.364 33.692 1.00 64.21 C ATOM 942 CD PRO A 61 -9.546 -23.455 33.609 1.00 62.33 C ATOM 0 HA PRO A 61 -8.973 -20.849 31.738 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.667 -22.118 32.628 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.701 -21.251 33.747 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.576 -24.208 33.188 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.712 -23.384 34.729 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.881 -24.487 33.507 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -10.023 -23.052 34.502 1.00 62.33 H new ATOM 950 N VAL A 62 -7.354 -21.623 29.942 1.00 41.12 N ATOM 951 CA VAL A 62 -6.774 -22.013 28.663 1.00 22.22 C ATOM 952 C VAL A 62 -5.407 -21.370 28.460 1.00 13.54 C ATOM 953 O VAL A 62 -5.210 -20.194 28.770 1.00 74.11 O ATOM 954 CB VAL A 62 -7.691 -21.625 27.488 1.00 23.31 C ATOM 955 CG1 VAL A 62 -9.017 -22.366 27.579 1.00 24.54 C ATOM 956 CG2 VAL A 62 -7.913 -20.120 27.461 1.00 33.21 C ATOM 0 H VAL A 62 -7.067 -20.701 30.271 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.663 -23.097 28.684 1.00 22.22 H new ATOM 0 HB VAL A 62 -7.203 -21.914 26.557 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -9.652 -22.080 26.741 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.836 -23.440 27.547 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -9.514 -22.110 28.515 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -8.563 -19.863 26.625 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -8.380 -19.804 28.394 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.955 -19.613 27.345 1.00 33.21 H new ATOM 966 N THR A 63 -4.464 -22.147 27.938 1.00 11.33 N ATOM 967 CA THR A 63 -3.115 -21.654 27.694 1.00 11.40 C ATOM 968 C THR A 63 -2.644 -22.011 26.288 1.00 54.21 C ATOM 969 O THR A 63 -2.913 -23.104 25.792 1.00 35.44 O ATOM 970 CB THR A 63 -2.114 -22.223 28.717 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.382 -23.611 28.945 1.00 22.11 O ATOM 972 CG2 THR A 63 -2.196 -21.464 30.034 1.00 60.11 C ATOM 0 H THR A 63 -4.610 -23.122 27.676 1.00 11.33 H new ATOM 0 HA THR A 63 -3.153 -20.570 27.798 1.00 11.40 H new ATOM 0 HB THR A 63 -1.109 -22.109 28.311 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.740 -23.966 29.595 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.480 -21.884 30.741 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.964 -20.413 29.863 1.00 60.11 H new ATOM 0 HG23 THR A 63 -3.203 -21.551 30.442 1.00 60.11 H new ATOM 980 N VAL A 64 -1.939 -21.082 25.652 1.00 54.51 N ATOM 981 CA VAL A 64 -1.429 -21.300 24.303 1.00 53.21 C ATOM 982 C VAL A 64 -0.084 -20.609 24.106 1.00 13.32 C ATOM 983 O VAL A 64 0.399 -19.902 24.990 1.00 10.04 O ATOM 984 CB VAL A 64 -2.418 -20.786 23.239 1.00 74.21 C ATOM 985 CG1 VAL A 64 -3.625 -21.708 23.143 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.849 -19.363 23.556 1.00 14.45 C ATOM 0 H VAL A 64 -1.708 -20.171 26.048 1.00 54.51 H new ATOM 0 HA VAL A 64 -1.303 -22.376 24.182 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.915 -20.782 22.272 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.313 -21.330 22.387 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -3.297 -22.710 22.866 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -4.131 -21.746 24.107 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.547 -19.016 22.794 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.335 -19.339 24.532 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -1.975 -18.712 23.570 1.00 14.45 H new ATOM 996 N LYS A 65 0.516 -20.817 22.938 1.00 23.50 N ATOM 997 CA LYS A 65 1.805 -20.213 22.622 1.00 33.44 C ATOM 998 C LYS A 65 1.624 -18.805 22.064 1.00 51.13 C ATOM 999 O LYS A 65 0.615 -18.505 21.427 1.00 14.12 O ATOM 1000 CB LYS A 65 2.563 -21.080 21.613 1.00 53.40 C ATOM 1001 CG LYS A 65 1.779 -21.361 20.343 1.00 44.43 C ATOM 1002 CD LYS A 65 1.419 -22.833 20.224 1.00 43.14 C ATOM 1003 CE LYS A 65 2.561 -23.638 19.624 1.00 1.42 C ATOM 1004 NZ LYS A 65 2.469 -23.709 18.139 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.130 -21.399 22.195 1.00 23.50 H new ATOM 0 HA LYS A 65 2.384 -20.148 23.543 1.00 33.44 H new ATOM 0 HB2 LYS A 65 3.498 -20.585 21.351 1.00 53.40 H new ATOM 0 HB3 LYS A 65 2.826 -22.027 22.085 1.00 53.40 H new ATOM 0 HG2 LYS A 65 0.869 -20.761 20.336 1.00 44.43 H new ATOM 0 HG3 LYS A 65 2.367 -21.058 19.477 1.00 44.43 H new ATOM 0 HD2 LYS A 65 1.171 -23.229 21.209 1.00 43.14 H new ATOM 0 HD3 LYS A 65 0.530 -22.942 19.603 1.00 43.14 H new ATOM 0 HE2 LYS A 65 3.512 -23.187 19.908 1.00 1.42 H new ATOM 0 HE3 LYS A 65 2.551 -24.647 20.037 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 3.265 -24.266 17.768 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 1.573 -24.162 17.868 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 2.504 -22.748 17.743 1.00 70.32 H new ATOM 1018 N ALA A 66 2.608 -17.947 22.308 1.00 25.33 N ATOM 1019 CA ALA A 66 2.558 -16.572 21.827 1.00 72.41 C ATOM 1020 C ALA A 66 2.845 -16.502 20.331 1.00 62.14 C ATOM 1021 O ALA A 66 3.926 -16.878 19.879 1.00 13.22 O ATOM 1022 CB ALA A 66 3.547 -15.707 22.597 1.00 71.52 C ATOM 0 H ALA A 66 3.449 -18.179 22.836 1.00 25.33 H new ATOM 0 HA ALA A 66 1.551 -16.191 21.995 1.00 72.41 H new ATOM 0 HB1 ALA A 66 3.499 -14.683 22.227 1.00 71.52 H new ATOM 0 HB2 ALA A 66 3.295 -15.722 23.657 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.556 -16.096 22.458 1.00 71.52 H new ATOM 1028 N ALA A 67 1.870 -16.020 19.568 1.00 60.43 N ATOM 1029 CA ALA A 67 2.019 -15.901 18.123 1.00 33.34 C ATOM 1030 C ALA A 67 1.178 -14.751 17.578 1.00 63.13 C ATOM 1031 O ALA A 67 0.546 -14.017 18.337 1.00 55.04 O ATOM 1032 CB ALA A 67 1.633 -17.207 17.443 1.00 32.31 C ATOM 0 H ALA A 67 0.968 -15.706 19.926 1.00 60.43 H new ATOM 0 HA ALA A 67 3.066 -15.687 17.907 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.749 -17.104 16.364 1.00 32.31 H new ATOM 0 HB2 ALA A 67 2.278 -18.009 17.802 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.595 -17.445 17.675 1.00 32.31 H new ATOM 1038 N ALA A 68 1.177 -14.599 16.257 1.00 60.23 N ATOM 1039 CA ALA A 68 0.414 -13.540 15.611 1.00 73.13 C ATOM 1040 C ALA A 68 -1.085 -13.780 15.748 1.00 2.42 C ATOM 1041 O ALA A 68 -1.812 -12.940 16.281 1.00 53.41 O ATOM 1042 CB ALA A 68 0.800 -13.430 14.143 1.00 13.31 C ATOM 0 H ALA A 68 1.697 -15.197 15.614 1.00 60.23 H new ATOM 0 HA ALA A 68 0.652 -12.600 16.110 1.00 73.13 H new ATOM 0 HB1 ALA A 68 0.222 -12.634 13.673 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.863 -13.202 14.062 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.592 -14.375 13.640 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.542 -14.930 15.265 1.00 72.31 N ATOM 1049 CA ILE A 69 -2.955 -15.280 15.335 1.00 43.13 C ATOM 1050 C ILE A 69 -3.152 -16.645 15.987 1.00 23.51 C ATOM 1051 O ILE A 69 -2.743 -17.670 15.440 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.602 -15.293 13.937 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.435 -13.930 13.262 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.074 -15.664 14.038 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -2.141 -13.792 12.490 1.00 23.11 C ATOM 0 H ILE A 69 -0.954 -15.635 14.821 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.439 -14.516 15.943 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.100 -16.044 13.327 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.272 -13.764 12.584 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -3.480 -13.150 14.022 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.517 -15.669 13.042 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.170 -16.655 14.483 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.591 -14.935 14.662 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -2.091 -12.801 12.038 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -1.297 -13.926 13.167 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -2.102 -14.550 11.707 1.00 23.11 H new ATOM 1067 N VAL A 70 -3.782 -16.651 17.157 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.036 -17.890 17.882 1.00 74.42 C ATOM 1069 C VAL A 70 -5.486 -17.968 18.346 1.00 52.51 C ATOM 1070 O VAL A 70 -5.993 -17.050 18.989 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.110 -18.025 19.105 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.306 -16.854 20.056 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -3.355 -19.346 19.816 1.00 74.33 C ATOM 0 H VAL A 70 -4.126 -15.812 17.623 1.00 42.53 H new ATOM 0 HA VAL A 70 -3.834 -18.708 17.190 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.077 -18.012 18.759 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -2.643 -16.967 20.914 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.075 -15.923 19.539 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -4.341 -16.832 20.397 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -2.692 -19.424 20.678 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -4.391 -19.392 20.150 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.158 -20.170 19.131 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.149 -19.071 18.014 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.542 -19.270 18.396 1.00 11.52 C ATOM 1085 C ASN A 71 -7.647 -20.180 19.615 1.00 55.40 C ATOM 1086 O ASN A 71 -7.092 -21.279 19.633 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.333 -19.866 17.231 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.390 -18.936 16.034 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -7.802 -19.214 14.989 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -9.100 -17.823 16.183 1.00 50.40 N ATOM 0 H ASN A 71 -5.744 -19.841 17.481 1.00 53.23 H new ATOM 0 HA ASN A 71 -7.964 -18.298 18.653 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -7.878 -20.811 16.932 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.347 -20.091 17.561 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.174 -17.158 15.413 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -9.571 -17.633 17.068 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.365 -19.717 20.635 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.544 -20.490 21.857 1.00 24.20 C ATOM 1099 C VAL A 72 -10.017 -20.804 22.097 1.00 31.43 C ATOM 1100 O VAL A 72 -10.897 -20.029 21.724 1.00 20.30 O ATOM 1101 CB VAL A 72 -7.985 -19.742 23.082 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -7.997 -20.641 24.309 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.579 -19.233 22.797 1.00 24.11 C ATOM 0 H VAL A 72 -8.832 -18.810 20.638 1.00 51.53 H new ATOM 0 HA VAL A 72 -7.992 -21.421 21.726 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.625 -18.883 23.286 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.598 -20.095 25.164 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.020 -20.952 24.522 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.381 -21.521 24.121 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.198 -18.707 23.672 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -5.927 -20.076 22.568 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.604 -18.552 21.947 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.277 -21.946 22.723 1.00 10.54 N ATOM 1114 CA LEU A 73 -11.644 -22.364 23.014 1.00 72.02 C ATOM 1115 C LEU A 73 -11.859 -22.517 24.516 1.00 3.23 C ATOM 1116 O LEU A 73 -11.062 -23.151 25.208 1.00 44.43 O ATOM 1117 CB LEU A 73 -11.956 -23.685 22.307 1.00 3.23 C ATOM 1118 CG LEU A 73 -11.699 -23.716 20.800 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -11.574 -25.150 20.309 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -12.810 -22.990 20.054 1.00 64.32 C ATOM 0 H LEU A 73 -9.560 -22.599 23.039 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.319 -21.592 22.645 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -11.363 -24.472 22.773 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -13.004 -23.929 22.482 1.00 3.23 H new ATOM 0 HG LEU A 73 -10.759 -23.202 20.601 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -11.391 -25.152 19.234 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -10.744 -25.638 20.819 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -12.497 -25.689 20.521 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -12.610 -23.022 18.983 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -13.764 -23.475 20.260 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -12.852 -21.952 20.384 1.00 64.32 H new ATOM 1132 N LEU A 74 -12.942 -21.932 25.016 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.264 -22.004 26.437 1.00 22.25 C ATOM 1134 C LEU A 74 -14.089 -23.249 26.747 1.00 10.24 C ATOM 1135 O LEU A 74 -15.168 -23.445 26.189 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.028 -20.751 26.872 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.412 -19.955 28.023 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.968 -19.593 27.710 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.229 -18.702 28.302 1.00 34.41 C ATOM 0 H LEU A 74 -13.612 -21.402 24.458 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.328 -22.063 26.993 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.123 -20.091 26.010 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.037 -21.047 27.160 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.423 -20.579 28.917 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.547 -19.027 28.541 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.389 -20.504 27.561 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -11.933 -18.988 26.804 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.776 -18.148 29.124 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.250 -18.076 27.410 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.247 -18.984 28.572 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.574 -24.087 27.641 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.264 -25.312 28.025 1.00 73.42 C ATOM 1153 C GLU A 75 -15.183 -25.069 29.218 1.00 44.11 C ATOM 1154 O GLU A 75 -14.863 -24.285 30.111 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.252 -26.410 28.364 1.00 3.14 C ATOM 1156 CG GLU A 75 -13.656 -27.786 27.861 1.00 21.34 C ATOM 1157 CD GLU A 75 -12.589 -28.834 28.113 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -11.468 -28.679 27.585 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -12.876 -29.810 28.838 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.682 -23.940 28.113 1.00 25.11 H new ATOM 0 HA GLU A 75 -14.872 -25.635 27.180 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.285 -26.146 27.937 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -13.122 -26.451 29.445 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -14.582 -28.090 28.349 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -13.862 -27.732 26.792 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.328 -25.744 29.224 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.295 -25.599 30.306 1.00 55.40 C ATOM 1168 C GLU A 76 -16.671 -25.974 31.646 1.00 52.44 C ATOM 1169 O GLU A 76 -15.909 -26.936 31.742 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.524 -26.471 30.042 1.00 21.40 C ATOM 1171 CG GLU A 76 -19.021 -26.403 28.607 1.00 75.12 C ATOM 1172 CD GLU A 76 -20.528 -26.541 28.505 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -21.235 -25.967 29.359 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -21.000 -27.223 27.571 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.609 -26.397 28.492 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.602 -24.554 30.347 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.284 -27.506 30.286 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.328 -26.164 30.711 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.716 -25.454 28.165 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -18.547 -27.193 28.024 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.999 -25.206 32.680 1.00 24.14 N ATOM 1182 CA ASP A 77 -16.471 -25.458 34.016 1.00 14.13 C ATOM 1183 C ASP A 77 -17.400 -26.377 34.803 1.00 2.45 C ATOM 1184 O ASP A 77 -16.949 -27.191 35.609 1.00 35.31 O ATOM 1185 CB ASP A 77 -16.281 -24.139 34.769 1.00 0.41 C ATOM 1186 CG ASP A 77 -17.561 -23.657 35.424 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -18.552 -23.434 34.698 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -17.569 -23.502 36.663 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.627 -24.405 32.619 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.505 -25.951 33.911 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -15.512 -24.266 35.531 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -15.921 -23.377 34.077 1.00 0.41 H new ATOM 1193 N THR A 78 -18.701 -26.239 34.566 1.00 73.11 N ATOM 1194 CA THR A 78 -19.694 -27.055 35.254 1.00 32.45 C ATOM 1195 C THR A 78 -20.233 -28.151 34.341 1.00 35.21 C ATOM 1196 O THR A 78 -21.406 -28.139 33.969 1.00 74.43 O ATOM 1197 CB THR A 78 -20.870 -26.199 35.761 1.00 13.32 C ATOM 1198 OG1 THR A 78 -21.907 -27.046 36.271 1.00 10.33 O ATOM 1199 CG2 THR A 78 -21.424 -25.326 34.646 1.00 23.12 C ATOM 0 H THR A 78 -19.091 -25.570 33.903 1.00 73.11 H new ATOM 0 HA THR A 78 -19.193 -27.512 36.107 1.00 32.45 H new ATOM 0 HB THR A 78 -20.504 -25.552 36.558 1.00 13.32 H new ATOM 0 HG1 THR A 78 -22.269 -27.594 35.544 1.00 10.33 H new ATOM 0 HG21 THR A 78 -22.253 -24.731 35.028 1.00 23.12 H new ATOM 0 HG22 THR A 78 -20.640 -24.663 34.279 1.00 23.12 H new ATOM 0 HG23 THR A 78 -21.776 -25.957 33.830 1.00 23.12 H new ATOM 1207 N GLN A 79 -19.369 -29.095 33.984 1.00 71.11 N ATOM 1208 CA GLN A 79 -19.761 -30.199 33.114 1.00 23.05 C ATOM 1209 C GLN A 79 -19.567 -31.539 33.815 1.00 15.21 C ATOM 1210 O GLN A 79 -20.463 -32.382 33.821 1.00 62.32 O ATOM 1211 CB GLN A 79 -18.950 -30.166 31.818 1.00 33.22 C ATOM 1212 CG GLN A 79 -19.514 -31.059 30.725 1.00 21.24 C ATOM 1213 CD GLN A 79 -18.448 -31.553 29.768 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -18.417 -31.165 28.599 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -17.566 -32.417 30.257 1.00 4.20 N ATOM 0 H GLN A 79 -18.394 -29.118 34.283 1.00 71.11 H new ATOM 0 HA GLN A 79 -20.818 -30.084 32.876 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -18.907 -29.140 31.452 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -17.926 -30.471 32.032 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -20.012 -31.915 31.181 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -20.272 -30.509 30.167 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -17.628 -32.712 31.231 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -16.827 -32.785 29.658 1.00 4.20 H new ATOM 1224 N MET A 80 -18.391 -31.730 34.405 1.00 10.55 N ATOM 1225 CA MET A 80 -18.081 -32.969 35.109 1.00 33.12 C ATOM 1226 C MET A 80 -18.763 -33.003 36.472 1.00 54.10 C ATOM 1227 O MET A 80 -18.481 -32.177 37.340 1.00 32.25 O ATOM 1228 CB MET A 80 -16.568 -33.119 35.278 1.00 43.24 C ATOM 1229 CG MET A 80 -16.164 -34.358 36.061 1.00 33.52 C ATOM 1230 SD MET A 80 -16.423 -35.881 35.131 1.00 41.55 S ATOM 1231 CE MET A 80 -14.731 -36.369 34.804 1.00 74.23 C ATOM 0 H MET A 80 -17.637 -31.043 34.409 1.00 10.55 H new ATOM 0 HA MET A 80 -18.457 -33.801 34.514 1.00 33.12 H new ATOM 0 HB2 MET A 80 -16.102 -33.154 34.293 1.00 43.24 H new ATOM 0 HB3 MET A 80 -16.178 -32.236 35.784 1.00 43.24 H new ATOM 0 HG2 MET A 80 -15.113 -34.281 36.339 1.00 33.52 H new ATOM 0 HG3 MET A 80 -16.737 -34.401 36.987 1.00 33.52 H new ATOM 0 HE1 MET A 80 -14.724 -37.298 34.234 1.00 74.23 H new ATOM 0 HE2 MET A 80 -14.231 -35.588 34.231 1.00 74.23 H new ATOM 0 HE3 MET A 80 -14.207 -36.518 35.748 1.00 74.23 H new ATOM 1241 N VAL A 81 -19.662 -33.965 36.655 1.00 0.53 N ATOM 1242 CA VAL A 81 -20.384 -34.109 37.914 1.00 1.25 C ATOM 1243 C VAL A 81 -20.145 -35.481 38.532 1.00 62.43 C ATOM 1244 O VAL A 81 -20.639 -36.493 38.033 1.00 3.11 O ATOM 1245 CB VAL A 81 -21.898 -33.902 37.719 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -22.610 -33.871 39.064 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -22.164 -32.626 36.937 1.00 54.24 C ATOM 0 H VAL A 81 -19.908 -34.657 35.947 1.00 0.53 H new ATOM 0 HA VAL A 81 -20.003 -33.341 38.587 1.00 1.25 H new ATOM 0 HB VAL A 81 -22.291 -34.741 37.145 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -23.679 -33.724 38.907 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -22.446 -34.815 39.584 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -22.216 -33.052 39.666 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -23.238 -32.495 36.808 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -21.758 -31.774 37.482 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -21.687 -32.692 35.959 1.00 54.24 H new ATOM 1257 N ASP A 82 -19.383 -35.510 39.621 1.00 21.33 N ATOM 1258 CA ASP A 82 -19.079 -36.759 40.309 1.00 52.35 C ATOM 1259 C ASP A 82 -19.669 -36.763 41.716 1.00 42.13 C ATOM 1260 O ASP A 82 -20.212 -35.758 42.172 1.00 40.40 O ATOM 1261 CB ASP A 82 -17.566 -36.974 40.376 1.00 62.52 C ATOM 1262 CG ASP A 82 -16.816 -35.703 40.724 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -15.711 -35.499 40.179 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -17.333 -34.914 41.542 1.00 1.31 O1- ATOM 0 H ASP A 82 -18.965 -34.682 40.046 1.00 21.33 H new ATOM 0 HA ASP A 82 -19.529 -37.575 39.744 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -17.343 -37.739 41.120 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -17.212 -37.350 39.416 1.00 62.52 H new ATOM 1269 N GLU A 83 -19.557 -37.899 42.396 1.00 63.12 N ATOM 1270 CA GLU A 83 -20.082 -38.032 43.750 1.00 23.02 C ATOM 1271 C GLU A 83 -18.962 -38.341 44.739 1.00 10.51 C ATOM 1272 O GLU A 83 -18.917 -39.421 45.327 1.00 50.40 O ATOM 1273 CB GLU A 83 -21.142 -39.134 43.803 1.00 13.42 C ATOM 1274 CG GLU A 83 -22.165 -38.941 44.910 1.00 3.23 C ATOM 1275 CD GLU A 83 -23.111 -37.788 44.636 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -23.849 -37.854 43.630 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -23.113 -36.820 45.424 1.00 64.43 O1- ATOM 0 H GLU A 83 -19.108 -38.740 42.032 1.00 63.12 H new ATOM 0 HA GLU A 83 -20.540 -37.083 44.030 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -21.660 -39.175 42.845 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -20.648 -40.096 43.940 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -22.742 -39.858 45.031 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -21.646 -38.764 45.852 1.00 3.23 H new ATOM 1284 N VAL A 84 -18.057 -37.383 44.918 1.00 23.40 N ATOM 1285 CA VAL A 84 -16.936 -37.550 45.835 1.00 2.42 C ATOM 1286 C VAL A 84 -17.164 -36.773 47.127 1.00 11.52 C ATOM 1287 O VAL A 84 -17.501 -35.589 47.101 1.00 34.13 O ATOM 1288 CB VAL A 84 -15.614 -37.088 45.196 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -14.448 -37.337 46.142 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -15.392 -37.791 43.866 1.00 53.25 C ATOM 0 H VAL A 84 -18.079 -36.483 44.439 1.00 23.40 H new ATOM 0 HA VAL A 84 -16.867 -38.614 46.062 1.00 2.42 H new ATOM 0 HB VAL A 84 -15.676 -36.016 45.008 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -13.522 -37.004 45.673 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -14.606 -36.783 47.068 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -14.380 -38.402 46.364 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -14.453 -37.453 43.428 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -15.350 -38.868 44.026 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -16.213 -37.557 43.189 1.00 53.25 H new ATOM 1300 N VAL A 85 -16.974 -37.446 48.257 1.00 23.03 N ATOM 1301 CA VAL A 85 -17.156 -36.818 49.561 1.00 53.43 C ATOM 1302 C VAL A 85 -15.916 -36.030 49.969 1.00 23.44 C ATOM 1303 O VAL A 85 -14.945 -36.597 50.470 1.00 52.44 O ATOM 1304 CB VAL A 85 -17.469 -37.862 50.648 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -17.709 -37.183 51.988 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -18.669 -38.707 50.247 1.00 13.25 C ATOM 0 H VAL A 85 -16.694 -38.426 48.296 1.00 23.03 H new ATOM 0 HA VAL A 85 -18.002 -36.137 49.469 1.00 53.43 H new ATOM 0 HB VAL A 85 -16.608 -38.522 50.751 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -17.929 -37.937 52.744 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -16.818 -36.627 52.279 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -18.553 -36.498 51.903 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -18.875 -39.439 51.027 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -19.539 -38.064 50.114 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -18.454 -39.224 49.312 1.00 13.25 H new ATOM 1316 N VAL A 86 -15.957 -34.720 49.753 1.00 13.51 N ATOM 1317 CA VAL A 86 -14.837 -33.852 50.100 1.00 11.22 C ATOM 1318 C VAL A 86 -15.210 -32.898 51.229 1.00 63.12 C ATOM 1319 O VAL A 86 -16.378 -32.785 51.601 1.00 25.30 O ATOM 1320 CB VAL A 86 -14.363 -33.033 48.885 1.00 50.12 C ATOM 1321 CG1 VAL A 86 -13.710 -33.937 47.852 1.00 3.22 C ATOM 1322 CG2 VAL A 86 -15.527 -32.266 48.274 1.00 73.01 C ATOM 0 H VAL A 86 -16.754 -34.235 49.339 1.00 13.51 H new ATOM 0 HA VAL A 86 -14.025 -34.500 50.430 1.00 11.22 H new ATOM 0 HB VAL A 86 -13.619 -32.312 49.223 1.00 50.12 H new ATOM 0 HG11 VAL A 86 -13.382 -33.340 47.001 1.00 3.22 H new ATOM 0 HG12 VAL A 86 -12.850 -34.437 48.298 1.00 3.22 H new ATOM 0 HG13 VAL A 86 -14.429 -34.684 47.515 1.00 3.22 H new ATOM 0 HG21 VAL A 86 -15.175 -31.692 47.417 1.00 73.01 H new ATOM 0 HG22 VAL A 86 -16.295 -32.968 47.950 1.00 73.01 H new ATOM 0 HG23 VAL A 86 -15.946 -31.587 49.017 1.00 73.01 H new ATOM 1332 N THR A 87 -14.209 -32.211 51.771 1.00 32.30 N ATOM 1333 CA THR A 87 -14.431 -31.266 52.858 1.00 63.34 C ATOM 1334 C THR A 87 -14.908 -29.920 52.327 1.00 32.24 C ATOM 1335 O THR A 87 -14.445 -29.451 51.288 1.00 11.13 O ATOM 1336 CB THR A 87 -13.151 -31.054 53.688 1.00 65.24 C ATOM 1337 OG1 THR A 87 -13.436 -30.234 54.826 1.00 1.23 O ATOM 1338 CG2 THR A 87 -12.063 -30.405 52.847 1.00 64.13 C ATOM 0 H THR A 87 -13.236 -32.292 51.475 1.00 32.30 H new ATOM 0 HA THR A 87 -15.203 -31.695 53.497 1.00 63.34 H new ATOM 0 HB THR A 87 -12.795 -32.028 54.024 1.00 65.24 H new ATOM 0 HG1 THR A 87 -12.618 -30.105 55.350 1.00 1.23 H new ATOM 0 HG21 THR A 87 -11.169 -30.265 53.454 1.00 64.13 H new ATOM 0 HG22 THR A 87 -11.828 -31.047 51.998 1.00 64.13 H new ATOM 0 HG23 THR A 87 -12.411 -29.437 52.485 1.00 64.13 H new ATOM 1346 N GLY A 88 -15.837 -29.300 53.048 1.00 61.42 N ATOM 1347 CA GLY A 88 -16.362 -28.012 52.633 1.00 23.00 C ATOM 1348 C GLY A 88 -15.297 -26.932 52.612 1.00 61.32 C ATOM 1349 O GLY A 88 -14.356 -26.964 53.405 1.00 11.31 O ATOM 0 H GLY A 88 -16.236 -29.667 53.912 1.00 61.42 H new ATOM 0 HA2 GLY A 88 -16.801 -28.105 51.640 1.00 23.00 H new ATOM 0 HA3 GLY A 88 -17.164 -27.715 53.309 1.00 23.00 H new ATOM 1353 N TYR A 89 -15.445 -25.977 51.702 1.00 75.33 N ATOM 1354 CA TYR A 89 -14.486 -24.885 51.577 1.00 31.00 C ATOM 1355 C TYR A 89 -14.773 -23.788 52.597 1.00 2.11 C ATOM 1356 O TYR A 89 -15.916 -23.356 52.758 1.00 10.14 O ATOM 1357 CB TYR A 89 -14.523 -24.304 50.163 1.00 63.35 C ATOM 1358 CG TYR A 89 -13.390 -23.347 49.871 1.00 22.31 C ATOM 1359 CD1 TYR A 89 -13.419 -22.041 50.344 1.00 11.32 C ATOM 1360 CD2 TYR A 89 -12.290 -23.747 49.122 1.00 75.11 C ATOM 1361 CE1 TYR A 89 -12.387 -21.162 50.080 1.00 30.34 C ATOM 1362 CE2 TYR A 89 -11.252 -22.876 48.855 1.00 50.14 C ATOM 1363 CZ TYR A 89 -11.305 -21.584 49.335 1.00 73.01 C ATOM 1364 OH TYR A 89 -10.274 -20.713 49.069 1.00 13.23 O ATOM 0 H TYR A 89 -16.220 -25.936 51.040 1.00 75.33 H new ATOM 0 HA TYR A 89 -13.491 -25.286 51.772 1.00 31.00 H new ATOM 0 HB2 TYR A 89 -14.492 -25.121 49.443 1.00 63.35 H new ATOM 0 HB3 TYR A 89 -15.471 -23.787 50.017 1.00 63.35 H new ATOM 0 HD1 TYR A 89 -14.264 -21.707 50.929 1.00 11.32 H new ATOM 0 HD2 TYR A 89 -12.246 -24.757 48.742 1.00 75.11 H new ATOM 0 HE1 TYR A 89 -12.427 -20.150 50.455 1.00 30.34 H new ATOM 0 HE2 TYR A 89 -10.403 -23.205 48.274 1.00 50.14 H new ATOM 0 HH TYR A 89 -9.591 -21.168 48.534 1.00 13.23 H new ATOM 1374 N THR A 90 -13.729 -23.341 53.287 1.00 63.13 N ATOM 1375 CA THR A 90 -13.867 -22.295 54.292 1.00 73.03 C ATOM 1376 C THR A 90 -13.927 -20.916 53.646 1.00 22.02 C ATOM 1377 O THR A 90 -12.897 -20.318 53.336 1.00 3.25 O ATOM 1378 CB THR A 90 -12.702 -22.327 55.299 1.00 65.23 C ATOM 1379 OG1 THR A 90 -12.268 -23.676 55.505 1.00 50.24 O ATOM 1380 CG2 THR A 90 -13.118 -21.715 56.628 1.00 14.03 C ATOM 0 H THR A 90 -12.777 -23.688 53.168 1.00 63.13 H new ATOM 0 HA THR A 90 -14.801 -22.486 54.821 1.00 73.03 H new ATOM 0 HB THR A 90 -11.880 -21.740 54.888 1.00 65.23 H new ATOM 0 HG1 THR A 90 -11.526 -23.687 56.145 1.00 50.24 H new ATOM 0 HG21 THR A 90 -12.279 -21.749 57.323 1.00 14.03 H new ATOM 0 HG22 THR A 90 -13.419 -20.679 56.473 1.00 14.03 H new ATOM 0 HG23 THR A 90 -13.955 -22.278 57.042 1.00 14.03 H new TER 1388 THR A 90