USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 661 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 35 CYS SG : rot 180:sc=0.000714 USER MOD Set 1.2: A 71 THR OG1 : rot -149:sc= -0.686 USER MOD Single : A 1 MET CE :methyl -133:sc= -0.544 (180deg=-2.88!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0409 USER MOD Single : A 16 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.76) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= -0.0708 (180deg=-0.399) USER MOD Single : A 18 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.28) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 84:sc= 0.39 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.329 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 171:sc= -3.46! (180deg=-3.59!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.597 X(o=-0.6,f=-0.87) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 58 GLN : amide:sc= -0.78 K(o=-0.78,f=-4.7!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 81:sc= -0.157 USER MOD Single : A 80 MET CE :methyl 173:sc= -1.15 (180deg=-1.33) USER MOD Single : A 81 MET CE :methyl -132:sc= -1.05 (180deg=-4.51!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.090 -3.856 -0.875 1.00 35.22 N ATOM 2 CA MET A 1 1.834 -2.949 -1.740 1.00 4.32 C ATOM 3 C MET A 1 3.168 -2.566 -1.107 1.00 24.45 C ATOM 4 O MET A 1 3.208 -1.997 -0.015 1.00 71.54 O ATOM 5 CB MET A 1 1.012 -1.690 -2.024 1.00 20.25 C ATOM 6 CG MET A 1 1.646 -0.769 -3.053 1.00 61.22 C ATOM 7 SD MET A 1 0.590 0.629 -3.478 1.00 50.12 S ATOM 8 CE MET A 1 0.907 1.724 -2.097 1.00 15.51 C ATOM 0 H1 MET A 1 0.186 -4.103 -1.326 1.00 35.22 H new ATOM 0 H2 MET A 1 1.646 -4.721 -0.718 1.00 35.22 H new ATOM 0 H3 MET A 1 0.906 -3.393 0.038 1.00 35.22 H new ATOM 0 HA MET A 1 2.032 -3.465 -2.680 1.00 4.32 H new ATOM 0 HB2 MET A 1 0.022 -1.984 -2.373 1.00 20.25 H new ATOM 0 HB3 MET A 1 0.872 -1.140 -1.093 1.00 20.25 H new ATOM 0 HG2 MET A 1 2.595 -0.398 -2.667 1.00 61.22 H new ATOM 0 HG3 MET A 1 1.870 -1.338 -3.955 1.00 61.22 H new ATOM 0 HE1 MET A 1 -0.038 2.104 -1.709 1.00 15.51 H new ATOM 0 HE2 MET A 1 1.428 1.177 -1.311 1.00 15.51 H new ATOM 0 HE3 MET A 1 1.524 2.559 -2.429 1.00 15.51 H new ATOM 18 N ASP A 2 4.258 -2.883 -1.797 1.00 42.32 N ATOM 19 CA ASP A 2 5.594 -2.571 -1.302 1.00 62.53 C ATOM 20 C ASP A 2 6.451 -1.954 -2.403 1.00 2.01 C ATOM 21 O ASP A 2 6.078 -1.970 -3.576 1.00 44.21 O ATOM 22 CB ASP A 2 6.268 -3.834 -0.762 1.00 10.32 C ATOM 23 CG ASP A 2 6.070 -4.001 0.732 1.00 71.41 C ATOM 24 OD1 ASP A 2 4.946 -4.356 1.146 1.00 50.23 O ATOM 25 OD2 ASP A 2 7.039 -3.779 1.487 1.00 21.10 O ATOM 0 H ASP A 2 4.243 -3.356 -2.701 1.00 42.32 H new ATOM 0 HA ASP A 2 5.496 -1.846 -0.494 1.00 62.53 H new ATOM 0 HB2 ASP A 2 5.867 -4.706 -1.279 1.00 10.32 H new ATOM 0 HB3 ASP A 2 7.335 -3.796 -0.982 1.00 10.32 H new ATOM 30 N ASP A 3 7.600 -1.410 -2.016 1.00 72.01 N ATOM 31 CA ASP A 3 8.510 -0.787 -2.970 1.00 1.22 C ATOM 32 C ASP A 3 9.037 -1.813 -3.968 1.00 40.23 C ATOM 33 O ASP A 3 9.423 -1.465 -5.085 1.00 21.23 O ATOM 34 CB ASP A 3 9.677 -0.125 -2.236 1.00 23.13 C ATOM 35 CG ASP A 3 10.567 0.676 -3.166 1.00 13.22 C ATOM 36 OD1 ASP A 3 11.384 0.061 -3.883 1.00 35.32 O ATOM 37 OD2 ASP A 3 10.445 1.919 -3.177 1.00 65.15 O ATOM 0 H ASP A 3 7.923 -1.388 -1.049 1.00 72.01 H new ATOM 0 HA ASP A 3 7.956 -0.025 -3.518 1.00 1.22 H new ATOM 0 HB2 ASP A 3 9.287 0.530 -1.457 1.00 23.13 H new ATOM 0 HB3 ASP A 3 10.272 -0.892 -1.740 1.00 23.13 H new ATOM 42 N ILE A 4 9.051 -3.077 -3.558 1.00 51.43 N ATOM 43 CA ILE A 4 9.530 -4.152 -4.417 1.00 25.40 C ATOM 44 C ILE A 4 8.635 -4.321 -5.639 1.00 75.03 C ATOM 45 O ILE A 4 9.109 -4.632 -6.732 1.00 44.30 O ATOM 46 CB ILE A 4 9.600 -5.490 -3.657 1.00 65.33 C ATOM 47 CG1 ILE A 4 10.072 -6.607 -4.590 1.00 65.42 C ATOM 48 CG2 ILE A 4 8.244 -5.831 -3.058 1.00 41.22 C ATOM 49 CD1 ILE A 4 10.841 -7.701 -3.882 1.00 71.45 C ATOM 0 H ILE A 4 8.736 -3.381 -2.637 1.00 51.43 H new ATOM 0 HA ILE A 4 10.533 -3.874 -4.741 1.00 25.40 H new ATOM 0 HB ILE A 4 10.320 -5.392 -2.844 1.00 65.33 H new ATOM 0 HG12 ILE A 4 9.206 -7.045 -5.086 1.00 65.42 H new ATOM 0 HG13 ILE A 4 10.702 -6.177 -5.369 1.00 65.42 H new ATOM 0 HG21 ILE A 4 8.310 -6.779 -2.524 1.00 41.22 H new ATOM 0 HG22 ILE A 4 7.944 -5.045 -2.365 1.00 41.22 H new ATOM 0 HG23 ILE A 4 7.505 -5.914 -3.855 1.00 41.22 H new ATOM 0 HD11 ILE A 4 11.144 -8.459 -4.605 1.00 71.45 H new ATOM 0 HD12 ILE A 4 11.726 -7.276 -3.409 1.00 71.45 H new ATOM 0 HD13 ILE A 4 10.207 -8.158 -3.122 1.00 71.45 H new ATOM 61 N TYR A 5 7.337 -4.113 -5.448 1.00 12.52 N ATOM 62 CA TYR A 5 6.373 -4.242 -6.535 1.00 3.14 C ATOM 63 C TYR A 5 6.290 -2.952 -7.345 1.00 14.01 C ATOM 64 O TYR A 5 6.231 -2.979 -8.574 1.00 72.34 O ATOM 65 CB TYR A 5 4.993 -4.600 -5.981 1.00 2.23 C ATOM 66 CG TYR A 5 4.936 -5.965 -5.333 1.00 70.02 C ATOM 67 CD1 TYR A 5 5.496 -7.074 -5.955 1.00 73.42 C ATOM 68 CD2 TYR A 5 4.322 -6.146 -4.100 1.00 55.04 C ATOM 69 CE1 TYR A 5 5.445 -8.324 -5.368 1.00 4.20 C ATOM 70 CE2 TYR A 5 4.268 -7.391 -3.505 1.00 32.30 C ATOM 71 CZ TYR A 5 4.831 -8.477 -4.143 1.00 32.03 C ATOM 72 OH TYR A 5 4.778 -9.720 -3.554 1.00 1.55 O ATOM 0 H TYR A 5 6.928 -3.854 -4.550 1.00 12.52 H new ATOM 0 HA TYR A 5 6.711 -5.042 -7.194 1.00 3.14 H new ATOM 0 HB2 TYR A 5 4.698 -3.847 -5.250 1.00 2.23 H new ATOM 0 HB3 TYR A 5 4.264 -4.561 -6.791 1.00 2.23 H new ATOM 0 HD1 TYR A 5 5.979 -6.957 -6.914 1.00 73.42 H new ATOM 0 HD2 TYR A 5 3.879 -5.298 -3.598 1.00 55.04 H new ATOM 0 HE1 TYR A 5 5.884 -9.176 -5.866 1.00 4.20 H new ATOM 0 HE2 TYR A 5 3.788 -7.514 -2.546 1.00 32.30 H new ATOM 0 HH TYR A 5 4.312 -9.655 -2.694 1.00 1.55 H new ATOM 82 N LYS A 6 6.285 -1.822 -6.646 1.00 43.45 N ATOM 83 CA LYS A 6 6.211 -0.519 -7.298 1.00 60.40 C ATOM 84 C LYS A 6 7.403 -0.306 -8.226 1.00 21.34 C ATOM 85 O LYS A 6 7.251 0.182 -9.345 1.00 31.31 O ATOM 86 CB LYS A 6 6.160 0.596 -6.251 1.00 23.40 C ATOM 87 CG LYS A 6 4.847 0.656 -5.490 1.00 42.21 C ATOM 88 CD LYS A 6 5.074 0.700 -3.988 1.00 44.43 C ATOM 89 CE LYS A 6 4.439 1.934 -3.365 1.00 21.34 C ATOM 90 NZ LYS A 6 5.280 2.498 -2.273 1.00 14.44 N ATOM 0 H LYS A 6 6.331 -1.782 -5.628 1.00 43.45 H new ATOM 0 HA LYS A 6 5.299 -0.491 -7.895 1.00 60.40 H new ATOM 0 HB2 LYS A 6 6.975 0.454 -5.542 1.00 23.40 H new ATOM 0 HB3 LYS A 6 6.329 1.554 -6.744 1.00 23.40 H new ATOM 0 HG2 LYS A 6 4.286 1.538 -5.800 1.00 42.21 H new ATOM 0 HG3 LYS A 6 4.240 -0.213 -5.742 1.00 42.21 H new ATOM 0 HD2 LYS A 6 4.657 -0.196 -3.529 1.00 44.43 H new ATOM 0 HD3 LYS A 6 6.144 0.696 -3.780 1.00 44.43 H new ATOM 0 HE2 LYS A 6 4.286 2.691 -4.134 1.00 21.34 H new ATOM 0 HE3 LYS A 6 3.456 1.677 -2.971 1.00 21.34 H new ATOM 0 HZ1 LYS A 6 4.814 3.337 -1.874 1.00 14.44 H new ATOM 0 HZ2 LYS A 6 5.405 1.784 -1.527 1.00 14.44 H new ATOM 0 HZ3 LYS A 6 6.209 2.767 -2.654 1.00 14.44 H new ATOM 104 N ALA A 7 8.589 -0.677 -7.753 1.00 14.33 N ATOM 105 CA ALA A 7 9.806 -0.529 -8.541 1.00 74.23 C ATOM 106 C ALA A 7 9.804 -1.476 -9.736 1.00 75.53 C ATOM 107 O ALA A 7 10.525 -1.264 -10.710 1.00 52.54 O ATOM 108 CB ALA A 7 11.030 -0.775 -7.673 1.00 4.13 C ATOM 0 H ALA A 7 8.732 -1.082 -6.828 1.00 14.33 H new ATOM 0 HA ALA A 7 9.842 0.492 -8.920 1.00 74.23 H new ATOM 0 HB1 ALA A 7 11.932 -0.661 -8.275 1.00 4.13 H new ATOM 0 HB2 ALA A 7 11.046 -0.055 -6.855 1.00 4.13 H new ATOM 0 HB3 ALA A 7 10.991 -1.786 -7.266 1.00 4.13 H new ATOM 114 N ALA A 8 8.989 -2.523 -9.654 1.00 73.24 N ATOM 115 CA ALA A 8 8.892 -3.502 -10.730 1.00 22.20 C ATOM 116 C ALA A 8 7.980 -3.004 -11.846 1.00 4.31 C ATOM 117 O ALA A 8 8.284 -3.165 -13.028 1.00 40.41 O ATOM 118 CB ALA A 8 8.389 -4.832 -10.189 1.00 61.53 C ATOM 0 H ALA A 8 8.387 -2.715 -8.854 1.00 73.24 H new ATOM 0 HA ALA A 8 9.888 -3.645 -11.148 1.00 22.20 H new ATOM 0 HB1 ALA A 8 8.321 -5.554 -11.003 1.00 61.53 H new ATOM 0 HB2 ALA A 8 9.081 -5.202 -9.432 1.00 61.53 H new ATOM 0 HB3 ALA A 8 7.404 -4.694 -9.743 1.00 61.53 H new ATOM 124 N VAL A 9 6.861 -2.398 -11.463 1.00 33.11 N ATOM 125 CA VAL A 9 5.904 -1.876 -12.431 1.00 44.45 C ATOM 126 C VAL A 9 6.451 -0.635 -13.129 1.00 61.34 C ATOM 127 O VAL A 9 6.148 -0.383 -14.295 1.00 61.41 O ATOM 128 CB VAL A 9 4.562 -1.525 -11.762 1.00 43.10 C ATOM 129 CG1 VAL A 9 3.811 -2.790 -11.377 1.00 32.01 C ATOM 130 CG2 VAL A 9 4.789 -0.639 -10.546 1.00 42.25 C ATOM 0 H VAL A 9 6.595 -2.256 -10.489 1.00 33.11 H new ATOM 0 HA VAL A 9 5.739 -2.662 -13.168 1.00 44.45 H new ATOM 0 HB VAL A 9 3.952 -0.972 -12.477 1.00 43.10 H new ATOM 0 HG11 VAL A 9 2.865 -2.522 -10.906 1.00 32.01 H new ATOM 0 HG12 VAL A 9 3.616 -3.384 -12.270 1.00 32.01 H new ATOM 0 HG13 VAL A 9 4.413 -3.372 -10.679 1.00 32.01 H new ATOM 0 HG21 VAL A 9 3.830 -0.401 -10.085 1.00 42.25 H new ATOM 0 HG22 VAL A 9 5.417 -1.163 -9.826 1.00 42.25 H new ATOM 0 HG23 VAL A 9 5.283 0.283 -10.854 1.00 42.25 H new ATOM 140 N GLU A 10 7.259 0.136 -12.408 1.00 33.42 N ATOM 141 CA GLU A 10 7.848 1.351 -12.959 1.00 35.53 C ATOM 142 C GLU A 10 8.914 1.016 -13.998 1.00 32.43 C ATOM 143 O GLU A 10 9.150 1.785 -14.929 1.00 31.31 O ATOM 144 CB GLU A 10 8.457 2.200 -11.842 1.00 2.13 C ATOM 145 CG GLU A 10 7.425 2.930 -10.999 1.00 55.14 C ATOM 146 CD GLU A 10 8.040 4.005 -10.124 1.00 54.05 C ATOM 147 OE1 GLU A 10 8.386 5.079 -10.660 1.00 61.22 O ATOM 148 OE2 GLU A 10 8.175 3.773 -8.905 1.00 72.11 O ATOM 0 H GLU A 10 7.521 -0.059 -11.442 1.00 33.42 H new ATOM 0 HA GLU A 10 7.056 1.920 -13.447 1.00 35.53 H new ATOM 0 HB2 GLU A 10 9.054 1.558 -11.194 1.00 2.13 H new ATOM 0 HB3 GLU A 10 9.136 2.930 -12.282 1.00 2.13 H new ATOM 0 HG2 GLU A 10 6.681 3.382 -11.654 1.00 55.14 H new ATOM 0 HG3 GLU A 10 6.901 2.211 -10.370 1.00 55.14 H new ATOM 155 N GLN A 11 9.554 -0.137 -13.829 1.00 42.24 N ATOM 156 CA GLN A 11 10.596 -0.573 -14.752 1.00 2.15 C ATOM 157 C GLN A 11 10.001 -1.368 -15.909 1.00 31.33 C ATOM 158 O GLN A 11 10.727 -1.979 -16.695 1.00 12.15 O ATOM 159 CB GLN A 11 11.636 -1.420 -14.016 1.00 34.41 C ATOM 160 CG GLN A 11 11.075 -2.716 -13.451 1.00 42.24 C ATOM 161 CD GLN A 11 12.157 -3.644 -12.936 1.00 23.02 C ATOM 162 OE1 GLN A 11 12.768 -3.388 -11.898 1.00 31.14 O ATOM 163 NE2 GLN A 11 12.401 -4.730 -13.660 1.00 74.11 N ATOM 0 H GLN A 11 9.370 -0.785 -13.063 1.00 42.24 H new ATOM 0 HA GLN A 11 11.082 0.314 -15.158 1.00 2.15 H new ATOM 0 HB2 GLN A 11 12.452 -1.654 -14.700 1.00 34.41 H new ATOM 0 HB3 GLN A 11 12.061 -0.832 -13.202 1.00 34.41 H new ATOM 0 HG2 GLN A 11 10.383 -2.485 -12.641 1.00 42.24 H new ATOM 0 HG3 GLN A 11 10.501 -3.227 -14.224 1.00 42.24 H new ATOM 0 HE21 GLN A 11 11.871 -4.903 -14.514 1.00 74.11 H new ATOM 0 HE22 GLN A 11 13.119 -5.391 -13.362 1.00 74.11 H new ATOM 172 N LEU A 12 8.676 -1.357 -16.008 1.00 23.52 N ATOM 173 CA LEU A 12 7.983 -2.078 -17.069 1.00 74.55 C ATOM 174 C LEU A 12 8.237 -1.429 -18.426 1.00 5.53 C ATOM 175 O LEU A 12 8.918 -0.406 -18.519 1.00 33.20 O ATOM 176 CB LEU A 12 6.480 -2.122 -16.786 1.00 50.42 C ATOM 177 CG LEU A 12 6.021 -3.151 -15.753 1.00 1.13 C ATOM 178 CD1 LEU A 12 4.548 -2.961 -15.428 1.00 55.01 C ATOM 179 CD2 LEU A 12 6.281 -4.564 -16.255 1.00 54.54 C ATOM 0 H LEU A 12 8.061 -0.857 -15.366 1.00 23.52 H new ATOM 0 HA LEU A 12 8.372 -3.096 -17.095 1.00 74.55 H new ATOM 0 HB2 LEU A 12 6.165 -1.134 -16.450 1.00 50.42 H new ATOM 0 HB3 LEU A 12 5.960 -2.321 -17.723 1.00 50.42 H new ATOM 0 HG LEU A 12 6.596 -3.001 -14.839 1.00 1.13 H new ATOM 0 HD11 LEU A 12 4.239 -3.702 -14.691 1.00 55.01 H new ATOM 0 HD12 LEU A 12 4.391 -1.961 -15.024 1.00 55.01 H new ATOM 0 HD13 LEU A 12 3.956 -3.083 -16.335 1.00 55.01 H new ATOM 0 HD21 LEU A 12 5.948 -5.283 -15.507 1.00 54.54 H new ATOM 0 HD22 LEU A 12 5.734 -4.727 -17.183 1.00 54.54 H new ATOM 0 HD23 LEU A 12 7.348 -4.696 -16.435 1.00 54.54 H new ATOM 191 N THR A 13 7.685 -2.027 -19.476 1.00 62.34 N ATOM 192 CA THR A 13 7.851 -1.507 -20.827 1.00 44.35 C ATOM 193 C THR A 13 6.667 -0.636 -21.231 1.00 31.02 C ATOM 194 O THR A 13 5.556 -0.815 -20.732 1.00 42.52 O ATOM 195 CB THR A 13 8.010 -2.645 -21.853 1.00 34.43 C ATOM 196 OG1 THR A 13 8.084 -2.105 -23.177 1.00 32.51 O ATOM 197 CG2 THR A 13 6.846 -3.621 -21.762 1.00 12.11 C ATOM 0 H THR A 13 7.118 -2.873 -19.417 1.00 62.34 H new ATOM 0 HA THR A 13 8.758 -0.903 -20.823 1.00 44.35 H new ATOM 0 HB THR A 13 8.932 -3.181 -21.628 1.00 34.43 H new ATOM 0 HG1 THR A 13 8.187 -2.835 -23.823 1.00 32.51 H new ATOM 0 HG21 THR A 13 6.980 -4.416 -22.496 1.00 12.11 H new ATOM 0 HG22 THR A 13 6.810 -4.053 -20.762 1.00 12.11 H new ATOM 0 HG23 THR A 13 5.913 -3.094 -21.963 1.00 12.11 H new ATOM 205 N GLU A 14 6.912 0.306 -22.137 1.00 33.43 N ATOM 206 CA GLU A 14 5.863 1.204 -22.606 1.00 65.12 C ATOM 207 C GLU A 14 4.643 0.417 -23.075 1.00 52.53 C ATOM 208 O GLU A 14 3.504 0.819 -22.837 1.00 44.31 O ATOM 209 CB GLU A 14 6.386 2.083 -23.745 1.00 21.44 C ATOM 210 CG GLU A 14 7.635 2.869 -23.383 1.00 31.14 C ATOM 211 CD GLU A 14 7.395 3.860 -22.261 1.00 1.44 C ATOM 212 OE1 GLU A 14 6.889 4.966 -22.545 1.00 52.11 O ATOM 213 OE2 GLU A 14 7.714 3.531 -21.099 1.00 54.30 O ATOM 0 H GLU A 14 7.826 0.467 -22.560 1.00 33.43 H new ATOM 0 HA GLU A 14 5.565 1.840 -21.773 1.00 65.12 H new ATOM 0 HB2 GLU A 14 6.600 1.454 -24.609 1.00 21.44 H new ATOM 0 HB3 GLU A 14 5.603 2.779 -24.044 1.00 21.44 H new ATOM 0 HG2 GLU A 14 8.423 2.176 -23.088 1.00 31.14 H new ATOM 0 HG3 GLU A 14 7.992 3.402 -24.264 1.00 31.14 H new ATOM 220 N GLU A 15 4.890 -0.705 -23.744 1.00 1.33 N ATOM 221 CA GLU A 15 3.811 -1.546 -24.248 1.00 23.55 C ATOM 222 C GLU A 15 2.930 -2.044 -23.105 1.00 44.20 C ATOM 223 O GLU A 15 1.704 -2.025 -23.201 1.00 14.42 O ATOM 224 CB GLU A 15 4.382 -2.737 -25.021 1.00 41.22 C ATOM 225 CG GLU A 15 5.235 -2.336 -26.213 1.00 52.51 C ATOM 226 CD GLU A 15 5.997 -3.505 -26.806 1.00 35.23 C ATOM 227 OE1 GLU A 15 6.886 -4.046 -26.115 1.00 54.25 O ATOM 228 OE2 GLU A 15 5.703 -3.880 -27.960 1.00 53.23 O ATOM 0 H GLU A 15 5.827 -1.052 -23.949 1.00 1.33 H new ATOM 0 HA GLU A 15 3.199 -0.944 -24.920 1.00 23.55 H new ATOM 0 HB2 GLU A 15 4.982 -3.345 -24.344 1.00 41.22 H new ATOM 0 HB3 GLU A 15 3.559 -3.363 -25.367 1.00 41.22 H new ATOM 0 HG2 GLU A 15 4.597 -1.897 -26.980 1.00 52.51 H new ATOM 0 HG3 GLU A 15 5.942 -1.565 -25.906 1.00 52.51 H new ATOM 235 N GLN A 16 3.566 -2.489 -22.026 1.00 1.40 N ATOM 236 CA GLN A 16 2.841 -2.992 -20.866 1.00 35.22 C ATOM 237 C GLN A 16 1.967 -1.902 -20.255 1.00 13.22 C ATOM 238 O GLN A 16 0.765 -2.088 -20.064 1.00 73.22 O ATOM 239 CB GLN A 16 3.819 -3.525 -19.818 1.00 21.13 C ATOM 240 CG GLN A 16 4.352 -4.914 -20.133 1.00 53.40 C ATOM 241 CD GLN A 16 3.495 -6.015 -19.541 1.00 24.53 C ATOM 242 OE1 GLN A 16 3.767 -6.507 -18.445 1.00 32.21 O ATOM 243 NE2 GLN A 16 2.454 -6.410 -20.264 1.00 11.30 N ATOM 0 H GLN A 16 4.581 -2.511 -21.931 1.00 1.40 H new ATOM 0 HA GLN A 16 2.196 -3.806 -21.198 1.00 35.22 H new ATOM 0 HB2 GLN A 16 4.658 -2.834 -19.731 1.00 21.13 H new ATOM 0 HB3 GLN A 16 3.323 -3.547 -18.848 1.00 21.13 H new ATOM 0 HG2 GLN A 16 4.406 -5.042 -21.214 1.00 53.40 H new ATOM 0 HG3 GLN A 16 5.369 -5.004 -19.750 1.00 53.40 H new ATOM 0 HE21 GLN A 16 2.266 -5.975 -21.167 1.00 11.30 H new ATOM 0 HE22 GLN A 16 1.843 -7.149 -19.916 1.00 11.30 H new ATOM 252 N LYS A 17 2.578 -0.763 -19.949 1.00 3.50 N ATOM 253 CA LYS A 17 1.857 0.360 -19.360 1.00 61.51 C ATOM 254 C LYS A 17 0.743 0.836 -20.286 1.00 52.32 C ATOM 255 O LYS A 17 -0.338 1.209 -19.831 1.00 60.45 O ATOM 256 CB LYS A 17 2.819 1.513 -19.066 1.00 71.02 C ATOM 257 CG LYS A 17 4.003 1.113 -18.203 1.00 33.23 C ATOM 258 CD LYS A 17 3.578 0.827 -16.772 1.00 71.31 C ATOM 259 CE LYS A 17 3.315 2.111 -16.001 1.00 54.34 C ATOM 260 NZ LYS A 17 4.555 2.917 -15.826 1.00 53.01 N ATOM 0 H LYS A 17 3.572 -0.593 -20.099 1.00 3.50 H new ATOM 0 HA LYS A 17 1.409 0.022 -18.425 1.00 61.51 H new ATOM 0 HB2 LYS A 17 3.188 1.917 -20.009 1.00 71.02 H new ATOM 0 HB3 LYS A 17 2.272 2.314 -18.569 1.00 71.02 H new ATOM 0 HG2 LYS A 17 4.480 0.229 -18.626 1.00 33.23 H new ATOM 0 HG3 LYS A 17 4.746 1.911 -18.211 1.00 33.23 H new ATOM 0 HD2 LYS A 17 2.678 0.212 -16.775 1.00 71.31 H new ATOM 0 HD3 LYS A 17 4.355 0.252 -16.269 1.00 71.31 H new ATOM 0 HE2 LYS A 17 2.568 2.704 -16.528 1.00 54.34 H new ATOM 0 HE3 LYS A 17 2.898 1.869 -15.023 1.00 54.34 H new ATOM 0 HZ1 LYS A 17 4.434 3.571 -15.027 1.00 53.01 H new ATOM 0 HZ2 LYS A 17 5.357 2.283 -15.636 1.00 53.01 H new ATOM 0 HZ3 LYS A 17 4.741 3.460 -16.693 1.00 53.01 H new ATOM 274 N ASN A 18 1.014 0.821 -21.587 1.00 75.43 N ATOM 275 CA ASN A 18 0.033 1.251 -22.577 1.00 73.43 C ATOM 276 C ASN A 18 -1.164 0.304 -22.604 1.00 42.52 C ATOM 277 O ASN A 18 -2.307 0.738 -22.743 1.00 41.22 O ATOM 278 CB ASN A 18 0.674 1.319 -23.965 1.00 1.22 C ATOM 279 CG ASN A 18 1.280 2.679 -24.255 1.00 22.31 C ATOM 280 OD1 ASN A 18 0.638 3.711 -24.062 1.00 11.13 O ATOM 281 ND2 ASN A 18 2.523 2.685 -24.722 1.00 24.42 N ATOM 0 H ASN A 18 1.904 0.516 -21.980 1.00 75.43 H new ATOM 0 HA ASN A 18 -0.318 2.244 -22.297 1.00 73.43 H new ATOM 0 HB2 ASN A 18 1.448 0.555 -24.043 1.00 1.22 H new ATOM 0 HB3 ASN A 18 -0.077 1.090 -24.721 1.00 1.22 H new ATOM 0 HD21 ASN A 18 2.983 3.570 -24.936 1.00 24.42 H new ATOM 0 HD22 ASN A 18 3.018 1.805 -24.867 1.00 24.42 H new ATOM 288 N GLU A 19 -0.891 -0.990 -22.470 1.00 12.35 N ATOM 289 CA GLU A 19 -1.946 -1.997 -22.479 1.00 2.23 C ATOM 290 C GLU A 19 -2.823 -1.877 -21.236 1.00 13.11 C ATOM 291 O GLU A 19 -4.051 -1.890 -21.326 1.00 11.03 O ATOM 292 CB GLU A 19 -1.341 -3.400 -22.556 1.00 22.11 C ATOM 293 CG GLU A 19 -0.832 -3.768 -23.940 1.00 32.35 C ATOM 294 CD GLU A 19 -1.935 -4.268 -24.853 1.00 0.05 C ATOM 295 OE1 GLU A 19 -2.712 -5.145 -24.421 1.00 10.34 O ATOM 296 OE2 GLU A 19 -2.021 -3.781 -26.000 1.00 24.34 O ATOM 0 H GLU A 19 0.050 -1.365 -22.354 1.00 12.35 H new ATOM 0 HA GLU A 19 -2.567 -1.828 -23.359 1.00 2.23 H new ATOM 0 HB2 GLU A 19 -0.518 -3.471 -21.845 1.00 22.11 H new ATOM 0 HB3 GLU A 19 -2.092 -4.128 -22.249 1.00 22.11 H new ATOM 0 HG2 GLU A 19 -0.358 -2.897 -24.392 1.00 32.35 H new ATOM 0 HG3 GLU A 19 -0.065 -4.537 -23.848 1.00 32.35 H new ATOM 303 N PHE A 20 -2.184 -1.761 -20.077 1.00 12.24 N ATOM 304 CA PHE A 20 -2.905 -1.640 -18.815 1.00 33.42 C ATOM 305 C PHE A 20 -3.689 -0.332 -18.759 1.00 22.21 C ATOM 306 O PHE A 20 -4.876 -0.319 -18.431 1.00 45.03 O ATOM 307 CB PHE A 20 -1.931 -1.715 -17.637 1.00 73.42 C ATOM 308 CG PHE A 20 -0.968 -2.864 -17.728 1.00 70.22 C ATOM 309 CD1 PHE A 20 -1.363 -4.075 -18.274 1.00 3.01 C ATOM 310 CD2 PHE A 20 0.332 -2.733 -17.267 1.00 62.35 C ATOM 311 CE1 PHE A 20 -0.479 -5.134 -18.359 1.00 63.15 C ATOM 312 CE2 PHE A 20 1.221 -3.789 -17.351 1.00 13.41 C ATOM 313 CZ PHE A 20 0.814 -4.991 -17.896 1.00 45.23 C ATOM 0 H PHE A 20 -1.168 -1.748 -19.985 1.00 12.24 H new ATOM 0 HA PHE A 20 -3.610 -2.469 -18.748 1.00 33.42 H new ATOM 0 HB2 PHE A 20 -1.368 -0.783 -17.581 1.00 73.42 H new ATOM 0 HB3 PHE A 20 -2.499 -1.800 -16.711 1.00 73.42 H new ATOM 0 HD1 PHE A 20 -2.373 -4.193 -18.637 1.00 3.01 H new ATOM 0 HD2 PHE A 20 0.655 -1.796 -16.837 1.00 62.35 H new ATOM 0 HE1 PHE A 20 -0.799 -6.072 -18.787 1.00 63.15 H new ATOM 0 HE2 PHE A 20 2.233 -3.674 -16.991 1.00 13.41 H new ATOM 0 HZ PHE A 20 1.506 -5.818 -17.960 1.00 45.23 H new ATOM 323 N LYS A 21 -3.016 0.768 -19.081 1.00 20.53 N ATOM 324 CA LYS A 21 -3.647 2.082 -19.069 1.00 2.04 C ATOM 325 C LYS A 21 -4.868 2.108 -19.983 1.00 3.14 C ATOM 326 O LYS A 21 -5.815 2.858 -19.748 1.00 5.23 O ATOM 327 CB LYS A 21 -2.646 3.155 -19.506 1.00 34.55 C ATOM 328 CG LYS A 21 -3.039 4.560 -19.084 1.00 5.03 C ATOM 329 CD LYS A 21 -1.980 5.576 -19.479 1.00 14.42 C ATOM 330 CE LYS A 21 -2.067 6.832 -18.624 1.00 70.15 C ATOM 331 NZ LYS A 21 -1.243 7.940 -19.182 1.00 54.11 N ATOM 0 H LYS A 21 -2.033 0.775 -19.354 1.00 20.53 H new ATOM 0 HA LYS A 21 -3.974 2.291 -18.050 1.00 2.04 H new ATOM 0 HB2 LYS A 21 -1.667 2.919 -19.088 1.00 34.55 H new ATOM 0 HB3 LYS A 21 -2.545 3.125 -20.591 1.00 34.55 H new ATOM 0 HG2 LYS A 21 -3.990 4.827 -19.544 1.00 5.03 H new ATOM 0 HG3 LYS A 21 -3.188 4.589 -18.005 1.00 5.03 H new ATOM 0 HD2 LYS A 21 -0.990 5.131 -19.375 1.00 14.42 H new ATOM 0 HD3 LYS A 21 -2.101 5.840 -20.529 1.00 14.42 H new ATOM 0 HE2 LYS A 21 -3.107 7.152 -18.553 1.00 70.15 H new ATOM 0 HE3 LYS A 21 -1.734 6.606 -17.611 1.00 70.15 H new ATOM 0 HZ1 LYS A 21 -1.329 8.778 -18.572 1.00 54.11 H new ATOM 0 HZ2 LYS A 21 -0.247 7.644 -19.226 1.00 54.11 H new ATOM 0 HZ3 LYS A 21 -1.577 8.173 -20.139 1.00 54.11 H new ATOM 345 N ALA A 22 -4.839 1.283 -21.024 1.00 51.33 N ATOM 346 CA ALA A 22 -5.945 1.210 -21.971 1.00 20.30 C ATOM 347 C ALA A 22 -7.076 0.344 -21.427 1.00 73.33 C ATOM 348 O ALA A 22 -8.191 0.822 -21.218 1.00 61.54 O ATOM 349 CB ALA A 22 -5.460 0.669 -23.308 1.00 40.51 C ATOM 0 H ALA A 22 -4.062 0.656 -21.233 1.00 51.33 H new ATOM 0 HA ALA A 22 -6.332 2.218 -22.118 1.00 20.30 H new ATOM 0 HB1 ALA A 22 -6.296 0.620 -24.006 1.00 40.51 H new ATOM 0 HB2 ALA A 22 -4.691 1.328 -23.710 1.00 40.51 H new ATOM 0 HB3 ALA A 22 -5.045 -0.329 -23.168 1.00 40.51 H new ATOM 355 N ALA A 23 -6.782 -0.932 -21.201 1.00 30.40 N ATOM 356 CA ALA A 23 -7.774 -1.864 -20.681 1.00 35.55 C ATOM 357 C ALA A 23 -8.400 -1.338 -19.393 1.00 60.22 C ATOM 358 O ALA A 23 -9.588 -1.539 -19.141 1.00 73.02 O ATOM 359 CB ALA A 23 -7.144 -3.229 -20.444 1.00 11.11 C ATOM 0 H ALA A 23 -5.864 -1.344 -21.370 1.00 30.40 H new ATOM 0 HA ALA A 23 -8.565 -1.965 -21.424 1.00 35.55 H new ATOM 0 HB1 ALA A 23 -7.897 -3.915 -20.056 1.00 11.11 H new ATOM 0 HB2 ALA A 23 -6.751 -3.616 -21.384 1.00 11.11 H new ATOM 0 HB3 ALA A 23 -6.332 -3.135 -19.723 1.00 11.11 H new ATOM 365 N PHE A 24 -7.592 -0.664 -18.581 1.00 35.20 N ATOM 366 CA PHE A 24 -8.067 -0.110 -17.318 1.00 62.41 C ATOM 367 C PHE A 24 -9.120 0.967 -17.558 1.00 41.44 C ATOM 368 O PHE A 24 -10.143 1.015 -16.875 1.00 24.45 O ATOM 369 CB PHE A 24 -6.898 0.472 -16.521 1.00 23.31 C ATOM 370 CG PHE A 24 -7.325 1.230 -15.297 1.00 53.00 C ATOM 371 CD1 PHE A 24 -7.470 0.583 -14.080 1.00 45.32 C ATOM 372 CD2 PHE A 24 -7.584 2.590 -15.363 1.00 64.35 C ATOM 373 CE1 PHE A 24 -7.862 1.278 -12.952 1.00 15.21 C ATOM 374 CE2 PHE A 24 -7.976 3.290 -14.239 1.00 34.15 C ATOM 375 CZ PHE A 24 -8.117 2.633 -13.032 1.00 12.24 C ATOM 0 H PHE A 24 -6.606 -0.488 -18.775 1.00 35.20 H new ATOM 0 HA PHE A 24 -8.523 -0.917 -16.745 1.00 62.41 H new ATOM 0 HB2 PHE A 24 -6.233 -0.338 -16.223 1.00 23.31 H new ATOM 0 HB3 PHE A 24 -6.323 1.135 -17.167 1.00 23.31 H new ATOM 0 HD1 PHE A 24 -7.274 -0.477 -14.013 1.00 45.32 H new ATOM 0 HD2 PHE A 24 -7.478 3.108 -16.305 1.00 64.35 H new ATOM 0 HE1 PHE A 24 -7.969 0.762 -12.009 1.00 15.21 H new ATOM 0 HE2 PHE A 24 -8.172 4.350 -14.304 1.00 34.15 H new ATOM 0 HZ PHE A 24 -8.426 3.178 -12.152 1.00 12.24 H new ATOM 385 N ASP A 25 -8.862 1.831 -18.534 1.00 5.32 N ATOM 386 CA ASP A 25 -9.786 2.909 -18.866 1.00 34.12 C ATOM 387 C ASP A 25 -11.088 2.352 -19.435 1.00 4.11 C ATOM 388 O ASP A 25 -12.165 2.900 -19.198 1.00 23.13 O ATOM 389 CB ASP A 25 -9.146 3.869 -19.870 1.00 24.44 C ATOM 390 CG ASP A 25 -9.821 5.226 -19.885 1.00 61.11 C ATOM 391 OD1 ASP A 25 -11.042 5.278 -20.142 1.00 23.24 O ATOM 392 OD2 ASP A 25 -9.128 6.236 -19.641 1.00 53.44 O ATOM 0 H ASP A 25 -8.020 1.806 -19.109 1.00 5.32 H new ATOM 0 HA ASP A 25 -10.014 3.454 -17.950 1.00 34.12 H new ATOM 0 HB2 ASP A 25 -8.091 3.994 -19.627 1.00 24.44 H new ATOM 0 HB3 ASP A 25 -9.194 3.432 -20.867 1.00 24.44 H new ATOM 397 N ILE A 26 -10.980 1.262 -20.187 1.00 21.01 N ATOM 398 CA ILE A 26 -12.148 0.632 -20.789 1.00 60.34 C ATOM 399 C ILE A 26 -13.034 -0.011 -19.728 1.00 73.52 C ATOM 400 O ILE A 26 -14.250 -0.110 -19.896 1.00 11.44 O ATOM 401 CB ILE A 26 -11.742 -0.438 -21.820 1.00 24.31 C ATOM 402 CG1 ILE A 26 -10.946 0.198 -22.962 1.00 15.22 C ATOM 403 CG2 ILE A 26 -12.974 -1.151 -22.358 1.00 4.42 C ATOM 404 CD1 ILE A 26 -10.575 -0.777 -24.057 1.00 31.34 C ATOM 0 H ILE A 26 -10.096 0.797 -20.394 1.00 21.01 H new ATOM 0 HA ILE A 26 -12.705 1.420 -21.296 1.00 60.34 H new ATOM 0 HB ILE A 26 -11.108 -1.174 -21.326 1.00 24.31 H new ATOM 0 HG12 ILE A 26 -11.531 1.010 -23.393 1.00 15.22 H new ATOM 0 HG13 ILE A 26 -10.036 0.640 -22.557 1.00 15.22 H new ATOM 0 HG21 ILE A 26 -12.670 -1.904 -23.085 1.00 4.42 H new ATOM 0 HG22 ILE A 26 -13.503 -1.633 -21.536 1.00 4.42 H new ATOM 0 HG23 ILE A 26 -13.632 -0.427 -22.839 1.00 4.42 H new ATOM 0 HD11 ILE A 26 -10.013 -0.257 -24.832 1.00 31.34 H new ATOM 0 HD12 ILE A 26 -9.963 -1.577 -23.640 1.00 31.34 H new ATOM 0 HD13 ILE A 26 -11.481 -1.201 -24.489 1.00 31.34 H new ATOM 416 N PHE A 27 -12.418 -0.447 -18.635 1.00 5.14 N ATOM 417 CA PHE A 27 -13.150 -1.080 -17.544 1.00 74.13 C ATOM 418 C PHE A 27 -13.838 -0.034 -16.672 1.00 22.15 C ATOM 419 O PHE A 27 -14.958 -0.239 -16.204 1.00 10.43 O ATOM 420 CB PHE A 27 -12.206 -1.930 -16.693 1.00 25.34 C ATOM 421 CG PHE A 27 -11.986 -3.312 -17.238 1.00 75.43 C ATOM 422 CD1 PHE A 27 -11.676 -3.502 -18.575 1.00 74.53 C ATOM 423 CD2 PHE A 27 -12.090 -4.421 -16.414 1.00 72.43 C ATOM 424 CE1 PHE A 27 -11.475 -4.773 -19.080 1.00 72.20 C ATOM 425 CE2 PHE A 27 -11.890 -5.695 -16.913 1.00 44.33 C ATOM 426 CZ PHE A 27 -11.581 -5.871 -18.248 1.00 3.42 C ATOM 0 H PHE A 27 -11.412 -0.374 -18.481 1.00 5.14 H new ATOM 0 HA PHE A 27 -13.914 -1.724 -17.978 1.00 74.13 H new ATOM 0 HB2 PHE A 27 -11.245 -1.422 -16.614 1.00 25.34 H new ATOM 0 HB3 PHE A 27 -12.610 -2.007 -15.683 1.00 25.34 H new ATOM 0 HD1 PHE A 27 -11.590 -2.648 -19.230 1.00 74.53 H new ATOM 0 HD2 PHE A 27 -12.330 -4.289 -15.369 1.00 72.43 H new ATOM 0 HE1 PHE A 27 -11.235 -4.908 -20.124 1.00 72.20 H new ATOM 0 HE2 PHE A 27 -11.975 -6.551 -16.260 1.00 44.33 H new ATOM 0 HZ PHE A 27 -11.423 -6.865 -18.640 1.00 3.42 H new ATOM 436 N VAL A 28 -13.158 1.088 -16.456 1.00 22.51 N ATOM 437 CA VAL A 28 -13.702 2.167 -15.640 1.00 62.41 C ATOM 438 C VAL A 28 -14.604 3.077 -16.465 1.00 14.43 C ATOM 439 O VAL A 28 -15.086 4.100 -15.976 1.00 15.14 O ATOM 440 CB VAL A 28 -12.581 3.011 -15.006 1.00 25.21 C ATOM 441 CG1 VAL A 28 -11.672 2.138 -14.154 1.00 2.14 C ATOM 442 CG2 VAL A 28 -11.784 3.733 -16.082 1.00 70.32 C ATOM 0 H VAL A 28 -12.229 1.273 -16.835 1.00 22.51 H new ATOM 0 HA VAL A 28 -14.288 1.701 -14.847 1.00 62.41 H new ATOM 0 HB VAL A 28 -13.036 3.761 -14.359 1.00 25.21 H new ATOM 0 HG11 VAL A 28 -10.886 2.752 -13.714 1.00 2.14 H new ATOM 0 HG12 VAL A 28 -12.255 1.672 -13.360 1.00 2.14 H new ATOM 0 HG13 VAL A 28 -11.223 1.364 -14.777 1.00 2.14 H new ATOM 0 HG21 VAL A 28 -10.996 4.325 -15.616 1.00 70.32 H new ATOM 0 HG22 VAL A 28 -11.338 3.002 -16.757 1.00 70.32 H new ATOM 0 HG23 VAL A 28 -12.446 4.390 -16.646 1.00 70.32 H new ATOM 452 N LEU A 29 -14.830 2.700 -17.718 1.00 61.02 N ATOM 453 CA LEU A 29 -15.676 3.483 -18.612 1.00 71.44 C ATOM 454 C LEU A 29 -17.062 3.689 -18.009 1.00 61.42 C ATOM 455 O LEU A 29 -17.760 4.645 -18.344 1.00 23.14 O ATOM 456 CB LEU A 29 -15.796 2.788 -19.970 1.00 54.42 C ATOM 457 CG LEU A 29 -14.861 3.295 -21.068 1.00 63.03 C ATOM 458 CD1 LEU A 29 -15.054 2.494 -22.346 1.00 72.52 C ATOM 459 CD2 LEU A 29 -15.093 4.777 -21.325 1.00 73.35 C ATOM 0 H LEU A 29 -14.439 1.857 -18.138 1.00 61.02 H new ATOM 0 HA LEU A 29 -15.212 4.459 -18.750 1.00 71.44 H new ATOM 0 HB2 LEU A 29 -15.613 1.723 -19.828 1.00 54.42 H new ATOM 0 HB3 LEU A 29 -16.823 2.891 -20.319 1.00 54.42 H new ATOM 0 HG LEU A 29 -13.833 3.162 -20.732 1.00 63.03 H new ATOM 0 HD11 LEU A 29 -14.380 2.869 -23.116 1.00 72.52 H new ATOM 0 HD12 LEU A 29 -14.836 1.444 -22.153 1.00 72.52 H new ATOM 0 HD13 LEU A 29 -16.085 2.594 -22.686 1.00 72.52 H new ATOM 0 HD21 LEU A 29 -14.419 5.120 -22.110 1.00 73.35 H new ATOM 0 HD22 LEU A 29 -16.125 4.935 -21.639 1.00 73.35 H new ATOM 0 HD23 LEU A 29 -14.902 5.339 -20.411 1.00 73.35 H new ATOM 471 N GLY A 30 -17.453 2.785 -17.116 1.00 34.30 N ATOM 472 CA GLY A 30 -18.753 2.886 -16.479 1.00 11.44 C ATOM 473 C GLY A 30 -18.703 3.670 -15.182 1.00 33.43 C ATOM 474 O GLY A 30 -19.705 4.246 -14.758 1.00 64.01 O ATOM 0 H GLY A 30 -16.893 1.985 -16.822 1.00 34.30 H new ATOM 0 HA2 GLY A 30 -19.453 3.365 -17.163 1.00 11.44 H new ATOM 0 HA3 GLY A 30 -19.136 1.885 -16.281 1.00 11.44 H new ATOM 478 N ALA A 31 -17.535 3.689 -14.549 1.00 2.42 N ATOM 479 CA ALA A 31 -17.358 4.408 -13.293 1.00 35.32 C ATOM 480 C ALA A 31 -17.317 5.915 -13.523 1.00 75.52 C ATOM 481 O ALA A 31 -17.385 6.379 -14.661 1.00 11.25 O ATOM 482 CB ALA A 31 -16.089 3.944 -12.593 1.00 53.04 C ATOM 0 H ALA A 31 -16.697 3.215 -14.885 1.00 2.42 H new ATOM 0 HA ALA A 31 -18.213 4.188 -12.654 1.00 35.32 H new ATOM 0 HB1 ALA A 31 -15.970 4.489 -11.657 1.00 53.04 H new ATOM 0 HB2 ALA A 31 -16.158 2.876 -12.385 1.00 53.04 H new ATOM 0 HB3 ALA A 31 -15.229 4.134 -13.235 1.00 53.04 H new ATOM 488 N GLU A 32 -17.207 6.672 -12.436 1.00 51.03 N ATOM 489 CA GLU A 32 -17.159 8.127 -12.522 1.00 21.13 C ATOM 490 C GLU A 32 -15.751 8.642 -12.240 1.00 5.14 C ATOM 491 O GLU A 32 -15.149 9.323 -13.071 1.00 20.33 O ATOM 492 CB GLU A 32 -18.149 8.751 -11.536 1.00 20.11 C ATOM 493 CG GLU A 32 -18.511 10.189 -11.865 1.00 53.24 C ATOM 494 CD GLU A 32 -19.901 10.565 -11.389 1.00 30.41 C ATOM 495 OE1 GLU A 32 -20.197 10.353 -10.194 1.00 45.33 O ATOM 496 OE2 GLU A 32 -20.693 11.070 -12.212 1.00 11.33 O ATOM 0 H GLU A 32 -17.150 6.303 -11.487 1.00 51.03 H new ATOM 0 HA GLU A 32 -17.437 8.415 -13.536 1.00 21.13 H new ATOM 0 HB2 GLU A 32 -19.059 8.151 -11.519 1.00 20.11 H new ATOM 0 HB3 GLU A 32 -17.723 8.713 -10.533 1.00 20.11 H new ATOM 0 HG2 GLU A 32 -17.781 10.857 -11.407 1.00 53.24 H new ATOM 0 HG3 GLU A 32 -18.448 10.338 -12.943 1.00 53.24 H new ATOM 503 N ASP A 33 -15.232 8.313 -11.062 1.00 25.11 N ATOM 504 CA ASP A 33 -13.894 8.741 -10.669 1.00 40.22 C ATOM 505 C ASP A 33 -12.828 7.982 -11.453 1.00 31.52 C ATOM 506 O ASP A 33 -11.727 8.485 -11.671 1.00 71.14 O ATOM 507 CB ASP A 33 -13.688 8.531 -9.168 1.00 71.13 C ATOM 508 CG ASP A 33 -14.801 9.142 -8.340 1.00 50.20 C ATOM 509 OD1 ASP A 33 -15.258 10.252 -8.686 1.00 61.02 O ATOM 510 OD2 ASP A 33 -15.216 8.510 -7.346 1.00 41.42 O ATOM 0 H ASP A 33 -15.717 7.751 -10.363 1.00 25.11 H new ATOM 0 HA ASP A 33 -13.798 9.803 -10.895 1.00 40.22 H new ATOM 0 HB2 ASP A 33 -13.627 7.463 -8.958 1.00 71.13 H new ATOM 0 HB3 ASP A 33 -12.735 8.969 -8.870 1.00 71.13 H new ATOM 515 N GLY A 34 -13.164 6.765 -11.873 1.00 4.24 N ATOM 516 CA GLY A 34 -12.224 5.955 -12.626 1.00 13.12 C ATOM 517 C GLY A 34 -11.658 4.812 -11.807 1.00 44.30 C ATOM 518 O GLY A 34 -10.446 4.725 -11.606 1.00 64.01 O ATOM 0 H GLY A 34 -14.070 6.326 -11.705 1.00 4.24 H new ATOM 0 HA2 GLY A 34 -12.721 5.554 -13.509 1.00 13.12 H new ATOM 0 HA3 GLY A 34 -11.407 6.585 -12.978 1.00 13.12 H new ATOM 522 N CYS A 35 -12.535 3.935 -11.332 1.00 41.20 N ATOM 523 CA CYS A 35 -12.115 2.793 -10.528 1.00 32.02 C ATOM 524 C CYS A 35 -12.948 1.559 -10.860 1.00 1.03 C ATOM 525 O CYS A 35 -13.896 1.630 -11.642 1.00 13.30 O ATOM 526 CB CYS A 35 -12.236 3.119 -9.039 1.00 12.34 C ATOM 527 SG CYS A 35 -13.819 3.857 -8.571 1.00 33.12 S ATOM 0 H CYS A 35 -13.541 3.993 -11.490 1.00 41.20 H new ATOM 0 HA CYS A 35 -11.072 2.579 -10.762 1.00 32.02 H new ATOM 0 HB2 CYS A 35 -12.090 2.204 -8.465 1.00 12.34 H new ATOM 0 HB3 CYS A 35 -11.433 3.801 -8.761 1.00 12.34 H new ATOM 0 HG CYS A 35 -13.826 4.094 -7.293 1.00 33.12 H new ATOM 533 N ILE A 36 -12.586 0.429 -10.262 1.00 11.14 N ATOM 534 CA ILE A 36 -13.300 -0.820 -10.494 1.00 63.44 C ATOM 535 C ILE A 36 -13.594 -1.538 -9.182 1.00 25.44 C ATOM 536 O ILE A 36 -12.686 -2.045 -8.523 1.00 23.42 O ATOM 537 CB ILE A 36 -12.500 -1.762 -11.414 1.00 33.30 C ATOM 538 CG1 ILE A 36 -12.175 -1.065 -12.736 1.00 53.24 C ATOM 539 CG2 ILE A 36 -13.278 -3.046 -11.663 1.00 15.40 C ATOM 540 CD1 ILE A 36 -10.693 -0.983 -13.028 1.00 73.45 C ATOM 0 H ILE A 36 -11.803 0.353 -9.613 1.00 11.14 H new ATOM 0 HA ILE A 36 -14.240 -0.560 -10.981 1.00 63.44 H new ATOM 0 HB ILE A 36 -11.563 -2.018 -10.920 1.00 33.30 H new ATOM 0 HG12 ILE A 36 -12.668 -1.598 -13.549 1.00 53.24 H new ATOM 0 HG13 ILE A 36 -12.590 -0.057 -12.717 1.00 53.24 H new ATOM 0 HG21 ILE A 36 -12.700 -3.701 -12.315 1.00 15.40 H new ATOM 0 HG22 ILE A 36 -13.463 -3.549 -10.714 1.00 15.40 H new ATOM 0 HG23 ILE A 36 -14.229 -2.808 -12.139 1.00 15.40 H new ATOM 0 HD11 ILE A 36 -10.537 -0.477 -13.981 1.00 73.45 H new ATOM 0 HD12 ILE A 36 -10.196 -0.424 -12.235 1.00 73.45 H new ATOM 0 HD13 ILE A 36 -10.276 -1.989 -13.079 1.00 73.45 H new ATOM 552 N SER A 37 -14.869 -1.579 -8.808 1.00 65.22 N ATOM 553 CA SER A 37 -15.283 -2.234 -7.573 1.00 3.23 C ATOM 554 C SER A 37 -15.601 -3.706 -7.818 1.00 4.30 C ATOM 555 O SER A 37 -16.067 -4.082 -8.894 1.00 30.12 O ATOM 556 CB SER A 37 -16.505 -1.528 -6.982 1.00 24.04 C ATOM 557 OG SER A 37 -16.504 -0.149 -7.308 1.00 13.14 O ATOM 0 H SER A 37 -15.633 -1.166 -9.343 1.00 65.22 H new ATOM 0 HA SER A 37 -14.458 -2.172 -6.864 1.00 3.23 H new ATOM 0 HB2 SER A 37 -17.416 -1.993 -7.359 1.00 24.04 H new ATOM 0 HB3 SER A 37 -16.510 -1.649 -5.899 1.00 24.04 H new ATOM 0 HG SER A 37 -16.888 -0.024 -8.201 1.00 13.14 H new ATOM 563 N THR A 38 -15.345 -4.536 -6.811 1.00 45.34 N ATOM 564 CA THR A 38 -15.601 -5.966 -6.916 1.00 74.44 C ATOM 565 C THR A 38 -17.022 -6.236 -7.398 1.00 34.01 C ATOM 566 O THR A 38 -17.290 -7.253 -8.039 1.00 4.30 O ATOM 567 CB THR A 38 -15.386 -6.676 -5.567 1.00 24.45 C ATOM 568 OG1 THR A 38 -15.919 -8.004 -5.621 1.00 21.24 O ATOM 569 CG2 THR A 38 -16.049 -5.904 -4.436 1.00 41.35 C ATOM 0 H THR A 38 -14.960 -4.241 -5.913 1.00 45.34 H new ATOM 0 HA THR A 38 -14.892 -6.361 -7.643 1.00 74.44 H new ATOM 0 HB THR A 38 -14.314 -6.723 -5.374 1.00 24.45 H new ATOM 0 HG1 THR A 38 -15.922 -8.392 -4.721 1.00 21.24 H new ATOM 0 HG21 THR A 38 -15.883 -6.426 -3.493 1.00 41.35 H new ATOM 0 HG22 THR A 38 -15.620 -4.904 -4.378 1.00 41.35 H new ATOM 0 HG23 THR A 38 -17.120 -5.829 -4.626 1.00 41.35 H new ATOM 577 N LYS A 39 -17.932 -5.319 -7.086 1.00 2.10 N ATOM 578 CA LYS A 39 -19.327 -5.456 -7.488 1.00 44.13 C ATOM 579 C LYS A 39 -19.458 -5.443 -9.008 1.00 12.11 C ATOM 580 O LYS A 39 -20.114 -6.306 -9.590 1.00 60.10 O ATOM 581 CB LYS A 39 -20.166 -4.329 -6.883 1.00 54.33 C ATOM 582 CG LYS A 39 -20.623 -4.606 -5.462 1.00 35.53 C ATOM 583 CD LYS A 39 -20.908 -3.319 -4.706 1.00 31.41 C ATOM 584 CE LYS A 39 -21.563 -3.596 -3.361 1.00 45.21 C ATOM 585 NZ LYS A 39 -20.571 -4.043 -2.343 1.00 55.24 N ATOM 0 H LYS A 39 -17.728 -4.472 -6.555 1.00 2.10 H new ATOM 0 HA LYS A 39 -19.695 -6.413 -7.117 1.00 44.13 H new ATOM 0 HB2 LYS A 39 -19.584 -3.407 -6.895 1.00 54.33 H new ATOM 0 HB3 LYS A 39 -21.041 -4.162 -7.511 1.00 54.33 H new ATOM 0 HG2 LYS A 39 -21.521 -5.224 -5.482 1.00 35.53 H new ATOM 0 HG3 LYS A 39 -19.856 -5.175 -4.937 1.00 35.53 H new ATOM 0 HD2 LYS A 39 -19.978 -2.772 -4.553 1.00 31.41 H new ATOM 0 HD3 LYS A 39 -21.558 -2.681 -5.304 1.00 31.41 H new ATOM 0 HE2 LYS A 39 -22.064 -2.695 -3.008 1.00 45.21 H new ATOM 0 HE3 LYS A 39 -22.330 -4.361 -3.481 1.00 45.21 H new ATOM 0 HZ1 LYS A 39 -21.056 -4.222 -1.441 1.00 55.24 H new ATOM 0 HZ2 LYS A 39 -20.111 -4.917 -2.667 1.00 55.24 H new ATOM 0 HZ3 LYS A 39 -19.853 -3.303 -2.209 1.00 55.24 H new ATOM 599 N GLU A 40 -18.829 -4.459 -9.644 1.00 35.04 N ATOM 600 CA GLU A 40 -18.877 -4.336 -11.096 1.00 11.53 C ATOM 601 C GLU A 40 -17.922 -5.325 -11.758 1.00 35.25 C ATOM 602 O GLU A 40 -18.248 -5.931 -12.779 1.00 74.31 O ATOM 603 CB GLU A 40 -18.525 -2.908 -11.520 1.00 64.43 C ATOM 604 CG GLU A 40 -19.389 -1.846 -10.862 1.00 75.43 C ATOM 605 CD GLU A 40 -18.850 -1.407 -9.515 1.00 44.43 C ATOM 606 OE1 GLU A 40 -17.792 -0.742 -9.489 1.00 33.32 O ATOM 607 OE2 GLU A 40 -19.484 -1.727 -8.488 1.00 45.42 O ATOM 0 H GLU A 40 -18.281 -3.737 -9.177 1.00 35.04 H new ATOM 0 HA GLU A 40 -19.892 -4.565 -11.421 1.00 11.53 H new ATOM 0 HB2 GLU A 40 -17.480 -2.714 -11.279 1.00 64.43 H new ATOM 0 HB3 GLU A 40 -18.624 -2.825 -12.602 1.00 64.43 H new ATOM 0 HG2 GLU A 40 -19.459 -0.980 -11.521 1.00 75.43 H new ATOM 0 HG3 GLU A 40 -20.400 -2.233 -10.736 1.00 75.43 H new ATOM 614 N LEU A 41 -16.742 -5.483 -11.169 1.00 32.32 N ATOM 615 CA LEU A 41 -15.739 -6.399 -11.700 1.00 44.24 C ATOM 616 C LEU A 41 -16.330 -7.788 -11.920 1.00 10.42 C ATOM 617 O LEU A 41 -15.911 -8.517 -12.817 1.00 24.40 O ATOM 618 CB LEU A 41 -14.544 -6.485 -10.749 1.00 62.31 C ATOM 619 CG LEU A 41 -13.425 -7.443 -11.162 1.00 12.32 C ATOM 620 CD1 LEU A 41 -13.136 -7.316 -12.649 1.00 45.44 C ATOM 621 CD2 LEU A 41 -12.168 -7.177 -10.347 1.00 42.51 C ATOM 0 H LEU A 41 -16.456 -4.989 -10.324 1.00 32.32 H new ATOM 0 HA LEU A 41 -15.403 -6.012 -12.662 1.00 44.24 H new ATOM 0 HB2 LEU A 41 -14.119 -5.487 -10.640 1.00 62.31 H new ATOM 0 HB3 LEU A 41 -14.908 -6.785 -9.766 1.00 62.31 H new ATOM 0 HG LEU A 41 -13.753 -8.463 -10.963 1.00 12.32 H new ATOM 0 HD11 LEU A 41 -12.337 -8.005 -12.925 1.00 45.44 H new ATOM 0 HD12 LEU A 41 -14.035 -7.557 -13.216 1.00 45.44 H new ATOM 0 HD13 LEU A 41 -12.828 -6.295 -12.874 1.00 45.44 H new ATOM 0 HD21 LEU A 41 -11.382 -7.867 -10.654 1.00 42.51 H new ATOM 0 HD22 LEU A 41 -11.836 -6.152 -10.514 1.00 42.51 H new ATOM 0 HD23 LEU A 41 -12.384 -7.320 -9.288 1.00 42.51 H new ATOM 633 N GLY A 42 -17.309 -8.146 -11.095 1.00 12.55 N ATOM 634 CA GLY A 42 -17.944 -9.445 -11.216 1.00 52.32 C ATOM 635 C GLY A 42 -18.941 -9.498 -12.357 1.00 32.22 C ATOM 636 O GLY A 42 -19.169 -10.556 -12.944 1.00 22.33 O ATOM 0 H GLY A 42 -17.674 -7.559 -10.345 1.00 12.55 H new ATOM 0 HA2 GLY A 42 -17.180 -10.207 -11.369 1.00 52.32 H new ATOM 0 HA3 GLY A 42 -18.452 -9.686 -10.282 1.00 52.32 H new ATOM 640 N LYS A 43 -19.539 -8.354 -12.672 1.00 34.43 N ATOM 641 CA LYS A 43 -20.518 -8.274 -13.749 1.00 54.32 C ATOM 642 C LYS A 43 -19.848 -8.454 -15.108 1.00 14.23 C ATOM 643 O LYS A 43 -20.363 -9.159 -15.976 1.00 43.42 O ATOM 644 CB LYS A 43 -21.249 -6.930 -13.703 1.00 44.40 C ATOM 645 CG LYS A 43 -22.670 -7.027 -13.176 1.00 62.22 C ATOM 646 CD LYS A 43 -23.521 -5.860 -13.647 1.00 43.25 C ATOM 647 CE LYS A 43 -24.617 -5.529 -12.646 1.00 44.11 C ATOM 648 NZ LYS A 43 -25.783 -6.446 -12.777 1.00 25.14 N ATOM 0 H LYS A 43 -19.362 -7.469 -12.196 1.00 34.43 H new ATOM 0 HA LYS A 43 -21.240 -9.078 -13.610 1.00 54.32 H new ATOM 0 HB2 LYS A 43 -20.684 -6.240 -13.076 1.00 44.40 H new ATOM 0 HB3 LYS A 43 -21.271 -6.504 -14.706 1.00 44.40 H new ATOM 0 HG2 LYS A 43 -23.119 -7.963 -13.508 1.00 62.22 H new ATOM 0 HG3 LYS A 43 -22.654 -7.050 -12.086 1.00 62.22 H new ATOM 0 HD2 LYS A 43 -22.889 -4.985 -13.798 1.00 43.25 H new ATOM 0 HD3 LYS A 43 -23.968 -6.101 -14.611 1.00 43.25 H new ATOM 0 HE2 LYS A 43 -24.216 -5.593 -11.634 1.00 44.11 H new ATOM 0 HE3 LYS A 43 -24.946 -4.500 -12.794 1.00 44.11 H new ATOM 0 HZ1 LYS A 43 -26.508 -6.188 -12.078 1.00 25.14 H new ATOM 0 HZ2 LYS A 43 -26.181 -6.366 -13.734 1.00 25.14 H new ATOM 0 HZ3 LYS A 43 -25.475 -7.425 -12.611 1.00 25.14 H new ATOM 662 N VAL A 44 -18.697 -7.813 -15.284 1.00 70.42 N ATOM 663 CA VAL A 44 -17.955 -7.905 -16.536 1.00 72.31 C ATOM 664 C VAL A 44 -17.511 -9.338 -16.808 1.00 34.21 C ATOM 665 O VAL A 44 -17.362 -9.744 -17.960 1.00 35.51 O ATOM 666 CB VAL A 44 -16.717 -6.990 -16.523 1.00 42.52 C ATOM 667 CG1 VAL A 44 -15.937 -7.128 -17.822 1.00 4.05 C ATOM 668 CG2 VAL A 44 -17.127 -5.543 -16.289 1.00 65.34 C ATOM 0 H VAL A 44 -18.258 -7.225 -14.576 1.00 70.42 H new ATOM 0 HA VAL A 44 -18.630 -7.580 -17.328 1.00 72.31 H new ATOM 0 HB VAL A 44 -16.068 -7.297 -15.703 1.00 42.52 H new ATOM 0 HG11 VAL A 44 -15.066 -6.474 -17.794 1.00 4.05 H new ATOM 0 HG12 VAL A 44 -15.611 -8.161 -17.943 1.00 4.05 H new ATOM 0 HG13 VAL A 44 -16.574 -6.848 -18.661 1.00 4.05 H new ATOM 0 HG21 VAL A 44 -16.240 -4.910 -16.283 1.00 65.34 H new ATOM 0 HG22 VAL A 44 -17.797 -5.221 -17.086 1.00 65.34 H new ATOM 0 HG23 VAL A 44 -17.638 -5.460 -15.330 1.00 65.34 H new ATOM 678 N MET A 45 -17.302 -10.100 -15.739 1.00 41.21 N ATOM 679 CA MET A 45 -16.876 -11.489 -15.863 1.00 34.12 C ATOM 680 C MET A 45 -17.803 -12.260 -16.798 1.00 25.21 C ATOM 681 O MET A 45 -17.386 -13.221 -17.446 1.00 12.14 O ATOM 682 CB MET A 45 -16.847 -12.160 -14.488 1.00 63.12 C ATOM 683 CG MET A 45 -15.808 -11.571 -13.547 1.00 35.31 C ATOM 684 SD MET A 45 -14.318 -12.580 -13.439 1.00 3.23 S ATOM 685 CE MET A 45 -13.968 -12.854 -15.174 1.00 5.52 C ATOM 0 H MET A 45 -17.421 -9.779 -14.778 1.00 41.21 H new ATOM 0 HA MET A 45 -15.871 -11.499 -16.286 1.00 34.12 H new ATOM 0 HB2 MET A 45 -17.832 -12.073 -14.029 1.00 63.12 H new ATOM 0 HB3 MET A 45 -16.648 -13.224 -14.616 1.00 63.12 H new ATOM 0 HG2 MET A 45 -15.541 -10.571 -13.887 1.00 35.31 H new ATOM 0 HG3 MET A 45 -16.243 -11.464 -12.553 1.00 35.31 H new ATOM 0 HE1 MET A 45 -12.991 -13.325 -15.278 1.00 5.52 H new ATOM 0 HE2 MET A 45 -14.732 -13.504 -15.601 1.00 5.52 H new ATOM 0 HE3 MET A 45 -13.968 -11.900 -15.700 1.00 5.52 H new ATOM 695 N ARG A 46 -19.059 -11.833 -16.863 1.00 74.41 N ATOM 696 CA ARG A 46 -20.044 -12.485 -17.718 1.00 33.10 C ATOM 697 C ARG A 46 -19.658 -12.355 -19.189 1.00 34.44 C ATOM 698 O ARG A 46 -19.812 -13.297 -19.966 1.00 54.20 O ATOM 699 CB ARG A 46 -21.430 -11.880 -17.488 1.00 75.31 C ATOM 700 CG ARG A 46 -22.087 -12.336 -16.196 1.00 34.44 C ATOM 701 CD ARG A 46 -23.520 -12.790 -16.429 1.00 21.33 C ATOM 702 NE ARG A 46 -23.747 -14.151 -15.951 1.00 34.42 N ATOM 703 CZ ARG A 46 -23.261 -15.232 -16.551 1.00 31.00 C ATOM 704 NH1 ARG A 46 -22.524 -15.111 -17.646 1.00 44.21 N ATOM 705 NH2 ARG A 46 -23.512 -16.437 -16.055 1.00 63.25 N ATOM 0 H ARG A 46 -19.419 -11.039 -16.334 1.00 74.41 H new ATOM 0 HA ARG A 46 -20.069 -13.543 -17.459 1.00 33.10 H new ATOM 0 HB2 ARG A 46 -21.346 -10.793 -17.479 1.00 75.31 H new ATOM 0 HB3 ARG A 46 -22.075 -12.143 -18.326 1.00 75.31 H new ATOM 0 HG2 ARG A 46 -21.511 -13.154 -15.763 1.00 34.44 H new ATOM 0 HG3 ARG A 46 -22.076 -11.520 -15.473 1.00 34.44 H new ATOM 0 HD2 ARG A 46 -24.203 -12.109 -15.922 1.00 21.33 H new ATOM 0 HD3 ARG A 46 -23.749 -12.737 -17.493 1.00 21.33 H new ATOM 0 HE ARG A 46 -24.310 -14.279 -15.110 1.00 34.42 H new ATOM 0 HH11 ARG A 46 -22.329 -14.186 -18.030 1.00 44.21 H new ATOM 0 HH12 ARG A 46 -22.152 -15.943 -18.105 1.00 44.21 H new ATOM 0 HH21 ARG A 46 -24.079 -16.534 -15.212 1.00 63.25 H new ATOM 0 HH22 ARG A 46 -23.138 -17.266 -16.516 1.00 63.25 H new ATOM 719 N MET A 47 -19.157 -11.183 -19.562 1.00 40.32 N ATOM 720 CA MET A 47 -18.749 -10.930 -20.939 1.00 64.53 C ATOM 721 C MET A 47 -17.619 -11.868 -21.352 1.00 24.43 C ATOM 722 O MET A 47 -17.518 -12.262 -22.515 1.00 3.43 O ATOM 723 CB MET A 47 -18.305 -9.476 -21.104 1.00 12.41 C ATOM 724 CG MET A 47 -19.328 -8.468 -20.605 1.00 34.21 C ATOM 725 SD MET A 47 -19.116 -6.838 -21.345 1.00 11.20 S ATOM 726 CE MET A 47 -20.813 -6.265 -21.395 1.00 65.44 C ATOM 0 H MET A 47 -19.024 -10.393 -18.931 1.00 40.32 H new ATOM 0 HA MET A 47 -19.607 -11.116 -21.585 1.00 64.53 H new ATOM 0 HB2 MET A 47 -17.368 -9.327 -20.566 1.00 12.41 H new ATOM 0 HB3 MET A 47 -18.102 -9.284 -22.158 1.00 12.41 H new ATOM 0 HG2 MET A 47 -20.331 -8.835 -20.825 1.00 34.21 H new ATOM 0 HG3 MET A 47 -19.250 -8.383 -19.521 1.00 34.21 H new ATOM 0 HE1 MET A 47 -20.847 -5.266 -21.829 1.00 65.44 H new ATOM 0 HE2 MET A 47 -21.409 -6.945 -22.003 1.00 65.44 H new ATOM 0 HE3 MET A 47 -21.217 -6.235 -20.383 1.00 65.44 H new ATOM 736 N LEU A 48 -16.771 -12.223 -20.393 1.00 23.33 N ATOM 737 CA LEU A 48 -15.647 -13.115 -20.657 1.00 20.45 C ATOM 738 C LEU A 48 -16.127 -14.548 -20.867 1.00 42.11 C ATOM 739 O LEU A 48 -15.460 -15.347 -21.523 1.00 4.21 O ATOM 740 CB LEU A 48 -14.648 -13.065 -19.499 1.00 63.14 C ATOM 741 CG LEU A 48 -13.587 -11.966 -19.575 1.00 55.15 C ATOM 742 CD1 LEU A 48 -14.237 -10.614 -19.830 1.00 60.50 C ATOM 743 CD2 LEU A 48 -12.763 -11.931 -18.297 1.00 43.01 C ATOM 0 H LEU A 48 -16.840 -11.907 -19.426 1.00 23.33 H new ATOM 0 HA LEU A 48 -15.154 -12.778 -21.569 1.00 20.45 H new ATOM 0 HB2 LEU A 48 -15.205 -12.941 -18.570 1.00 63.14 H new ATOM 0 HB3 LEU A 48 -14.141 -14.028 -19.441 1.00 63.14 H new ATOM 0 HG LEU A 48 -12.920 -12.188 -20.408 1.00 55.15 H new ATOM 0 HD11 LEU A 48 -13.467 -9.844 -19.881 1.00 60.50 H new ATOM 0 HD12 LEU A 48 -14.783 -10.645 -20.773 1.00 60.50 H new ATOM 0 HD13 LEU A 48 -14.927 -10.383 -19.019 1.00 60.50 H new ATOM 0 HD21 LEU A 48 -12.013 -11.143 -18.369 1.00 43.01 H new ATOM 0 HD22 LEU A 48 -13.417 -11.733 -17.448 1.00 43.01 H new ATOM 0 HD23 LEU A 48 -12.268 -12.892 -18.157 1.00 43.01 H new ATOM 755 N GLY A 49 -17.290 -14.865 -20.307 1.00 74.34 N ATOM 756 CA GLY A 49 -17.841 -16.201 -20.447 1.00 50.21 C ATOM 757 C GLY A 49 -17.753 -17.002 -19.163 1.00 45.42 C ATOM 758 O GLY A 49 -17.921 -18.221 -19.173 1.00 0.45 O ATOM 0 H GLY A 49 -17.861 -14.221 -19.759 1.00 74.34 H new ATOM 0 HA2 GLY A 49 -18.884 -16.130 -20.757 1.00 50.21 H new ATOM 0 HA3 GLY A 49 -17.309 -16.729 -21.238 1.00 50.21 H new ATOM 762 N GLN A 50 -17.486 -16.315 -18.057 1.00 20.33 N ATOM 763 CA GLN A 50 -17.373 -16.972 -16.760 1.00 1.03 C ATOM 764 C GLN A 50 -18.224 -16.260 -15.713 1.00 71.42 C ATOM 765 O GLN A 50 -18.516 -15.072 -15.840 1.00 71.13 O ATOM 766 CB GLN A 50 -15.912 -17.007 -16.308 1.00 20.21 C ATOM 767 CG GLN A 50 -15.088 -18.084 -16.995 1.00 74.33 C ATOM 768 CD GLN A 50 -13.907 -18.537 -16.160 1.00 60.53 C ATOM 769 OE1 GLN A 50 -13.878 -19.665 -15.666 1.00 4.23 O ATOM 770 NE2 GLN A 50 -12.924 -17.659 -15.999 1.00 31.30 N ATOM 0 H GLN A 50 -17.344 -15.305 -18.033 1.00 20.33 H new ATOM 0 HA GLN A 50 -17.738 -17.994 -16.866 1.00 1.03 H new ATOM 0 HB2 GLN A 50 -15.457 -16.035 -16.501 1.00 20.21 H new ATOM 0 HB3 GLN A 50 -15.878 -17.167 -15.230 1.00 20.21 H new ATOM 0 HG2 GLN A 50 -15.725 -18.941 -17.211 1.00 74.33 H new ATOM 0 HG3 GLN A 50 -14.728 -17.706 -17.952 1.00 74.33 H new ATOM 0 HE21 GLN A 50 -12.990 -16.735 -16.427 1.00 31.30 H new ATOM 0 HE22 GLN A 50 -12.103 -17.908 -15.448 1.00 31.30 H new ATOM 779 N ASN A 51 -18.619 -16.996 -14.679 1.00 54.03 N ATOM 780 CA ASN A 51 -19.438 -16.435 -13.611 1.00 34.02 C ATOM 781 C ASN A 51 -19.021 -16.995 -12.254 1.00 72.14 C ATOM 782 O ASN A 51 -19.755 -17.748 -11.613 1.00 41.14 O ATOM 783 CB ASN A 51 -20.918 -16.732 -13.865 1.00 2.15 C ATOM 784 CG ASN A 51 -21.188 -18.213 -14.044 1.00 23.44 C ATOM 785 OD1 ASN A 51 -21.623 -18.893 -13.114 1.00 75.12 O ATOM 786 ND2 ASN A 51 -20.929 -18.721 -15.243 1.00 61.01 N ATOM 0 H ASN A 51 -18.385 -17.981 -14.558 1.00 54.03 H new ATOM 0 HA ASN A 51 -19.287 -15.356 -13.601 1.00 34.02 H new ATOM 0 HB2 ASN A 51 -21.510 -16.356 -13.030 1.00 2.15 H new ATOM 0 HB3 ASN A 51 -21.246 -16.195 -14.755 1.00 2.15 H new ATOM 0 HD21 ASN A 51 -21.090 -19.712 -15.423 1.00 61.01 H new ATOM 0 HD22 ASN A 51 -20.569 -18.120 -15.985 1.00 61.01 H new ATOM 793 N PRO A 52 -17.814 -16.620 -11.805 1.00 54.41 N ATOM 794 CA PRO A 52 -17.272 -17.071 -10.520 1.00 74.42 C ATOM 795 C PRO A 52 -18.012 -16.464 -9.333 1.00 40.32 C ATOM 796 O PRO A 52 -19.050 -15.822 -9.497 1.00 74.20 O ATOM 797 CB PRO A 52 -15.823 -16.581 -10.555 1.00 23.33 C ATOM 798 CG PRO A 52 -15.839 -15.416 -11.483 1.00 23.20 C ATOM 799 CD PRO A 52 -16.886 -15.725 -12.517 1.00 14.45 C ATOM 0 HA PRO A 52 -17.369 -18.149 -10.393 1.00 74.42 H new ATOM 0 HB2 PRO A 52 -15.479 -16.291 -9.562 1.00 23.33 H new ATOM 0 HB3 PRO A 52 -15.150 -17.361 -10.911 1.00 23.33 H new ATOM 0 HG2 PRO A 52 -16.077 -14.496 -10.950 1.00 23.20 H new ATOM 0 HG3 PRO A 52 -14.863 -15.273 -11.947 1.00 23.20 H new ATOM 0 HD2 PRO A 52 -17.386 -14.821 -12.865 1.00 14.45 H new ATOM 0 HD3 PRO A 52 -16.455 -16.208 -13.394 1.00 14.45 H new ATOM 807 N THR A 53 -17.471 -16.669 -8.136 1.00 43.13 N ATOM 808 CA THR A 53 -18.079 -16.142 -6.922 1.00 15.24 C ATOM 809 C THR A 53 -17.634 -14.707 -6.661 1.00 74.33 C ATOM 810 O THR A 53 -16.488 -14.333 -6.909 1.00 41.10 O ATOM 811 CB THR A 53 -17.728 -17.007 -5.696 1.00 52.43 C ATOM 812 OG1 THR A 53 -18.594 -16.681 -4.603 1.00 22.52 O ATOM 813 CG2 THR A 53 -16.279 -16.796 -5.283 1.00 35.22 C ATOM 0 H THR A 53 -16.612 -17.197 -7.982 1.00 43.13 H new ATOM 0 HA THR A 53 -19.158 -16.163 -7.075 1.00 15.24 H new ATOM 0 HB THR A 53 -17.863 -18.054 -5.966 1.00 52.43 H new ATOM 0 HG1 THR A 53 -18.366 -17.236 -3.828 1.00 22.52 H new ATOM 0 HG21 THR A 53 -16.054 -17.417 -4.416 1.00 35.22 H new ATOM 0 HG22 THR A 53 -15.622 -17.072 -6.107 1.00 35.22 H new ATOM 0 HG23 THR A 53 -16.122 -15.748 -5.030 1.00 35.22 H new ATOM 821 N PRO A 54 -18.560 -13.883 -6.149 1.00 34.30 N ATOM 822 CA PRO A 54 -18.286 -12.476 -5.843 1.00 25.33 C ATOM 823 C PRO A 54 -17.343 -12.315 -4.655 1.00 33.04 C ATOM 824 O PRO A 54 -16.484 -11.435 -4.648 1.00 41.53 O ATOM 825 CB PRO A 54 -19.668 -11.909 -5.510 1.00 22.12 C ATOM 826 CG PRO A 54 -20.457 -13.084 -5.046 1.00 15.04 C ATOM 827 CD PRO A 54 -19.947 -14.262 -5.829 1.00 0.33 C ATOM 0 HA PRO A 54 -17.791 -11.968 -6.670 1.00 25.33 H new ATOM 0 HB2 PRO A 54 -19.606 -11.143 -4.737 1.00 22.12 H new ATOM 0 HB3 PRO A 54 -20.126 -11.444 -6.383 1.00 22.12 H new ATOM 0 HG2 PRO A 54 -20.328 -13.242 -3.975 1.00 15.04 H new ATOM 0 HG3 PRO A 54 -21.522 -12.932 -5.220 1.00 15.04 H new ATOM 0 HD2 PRO A 54 -19.988 -15.181 -5.245 1.00 0.33 H new ATOM 0 HD3 PRO A 54 -20.536 -14.431 -6.731 1.00 0.33 H new ATOM 835 N GLU A 55 -17.511 -13.171 -3.652 1.00 31.24 N ATOM 836 CA GLU A 55 -16.675 -13.122 -2.458 1.00 44.12 C ATOM 837 C GLU A 55 -15.197 -13.235 -2.824 1.00 75.40 C ATOM 838 O GLU A 55 -14.334 -12.693 -2.135 1.00 51.24 O ATOM 839 CB GLU A 55 -17.060 -14.244 -1.492 1.00 24.12 C ATOM 840 CG GLU A 55 -18.547 -14.299 -1.185 1.00 24.25 C ATOM 841 CD GLU A 55 -18.848 -15.024 0.113 1.00 3.42 C ATOM 842 OE1 GLU A 55 -18.631 -16.252 0.170 1.00 25.22 O ATOM 843 OE2 GLU A 55 -19.300 -14.363 1.071 1.00 54.30 O ATOM 0 H GLU A 55 -18.218 -13.906 -3.642 1.00 31.24 H new ATOM 0 HA GLU A 55 -16.839 -12.161 -1.970 1.00 44.12 H new ATOM 0 HB2 GLU A 55 -16.749 -15.199 -1.915 1.00 24.12 H new ATOM 0 HB3 GLU A 55 -16.510 -14.114 -0.560 1.00 24.12 H new ATOM 0 HG2 GLU A 55 -18.941 -13.284 -1.130 1.00 24.25 H new ATOM 0 HG3 GLU A 55 -19.065 -14.798 -2.004 1.00 24.25 H new ATOM 850 N GLU A 56 -14.916 -13.945 -3.912 1.00 72.04 N ATOM 851 CA GLU A 56 -13.544 -14.131 -4.369 1.00 3.14 C ATOM 852 C GLU A 56 -12.956 -12.817 -4.874 1.00 42.44 C ATOM 853 O GLU A 56 -11.829 -12.455 -4.532 1.00 52.22 O ATOM 854 CB GLU A 56 -13.489 -15.186 -5.475 1.00 72.04 C ATOM 855 CG GLU A 56 -12.113 -15.342 -6.101 1.00 11.24 C ATOM 856 CD GLU A 56 -11.858 -14.337 -7.207 1.00 72.25 C ATOM 857 OE1 GLU A 56 -12.833 -13.926 -7.871 1.00 73.41 O ATOM 858 OE2 GLU A 56 -10.685 -13.962 -7.410 1.00 64.14 O ATOM 0 H GLU A 56 -15.620 -14.401 -4.493 1.00 72.04 H new ATOM 0 HA GLU A 56 -12.950 -14.473 -3.522 1.00 3.14 H new ATOM 0 HB2 GLU A 56 -13.803 -16.146 -5.065 1.00 72.04 H new ATOM 0 HB3 GLU A 56 -14.205 -14.922 -6.253 1.00 72.04 H new ATOM 0 HG2 GLU A 56 -11.352 -15.228 -5.329 1.00 11.24 H new ATOM 0 HG3 GLU A 56 -12.012 -16.351 -6.502 1.00 11.24 H new ATOM 865 N LEU A 57 -13.726 -12.107 -5.691 1.00 40.43 N ATOM 866 CA LEU A 57 -13.283 -10.832 -6.246 1.00 24.22 C ATOM 867 C LEU A 57 -12.778 -9.905 -5.145 1.00 25.55 C ATOM 868 O LEU A 57 -11.646 -9.424 -5.197 1.00 13.22 O ATOM 869 CB LEU A 57 -14.425 -10.160 -7.009 1.00 74.41 C ATOM 870 CG LEU A 57 -14.706 -10.703 -8.411 1.00 14.21 C ATOM 871 CD1 LEU A 57 -15.608 -11.925 -8.339 1.00 60.44 C ATOM 872 CD2 LEU A 57 -15.334 -9.626 -9.284 1.00 4.43 C ATOM 0 H LEU A 57 -14.660 -12.392 -5.984 1.00 40.43 H new ATOM 0 HA LEU A 57 -12.462 -11.030 -6.935 1.00 24.22 H new ATOM 0 HB2 LEU A 57 -15.335 -10.252 -6.416 1.00 74.41 H new ATOM 0 HB3 LEU A 57 -14.204 -9.096 -7.091 1.00 74.41 H new ATOM 0 HG LEU A 57 -13.759 -11.001 -8.861 1.00 14.21 H new ATOM 0 HD11 LEU A 57 -15.797 -12.298 -9.346 1.00 60.44 H new ATOM 0 HD12 LEU A 57 -15.121 -12.702 -7.750 1.00 60.44 H new ATOM 0 HD13 LEU A 57 -16.553 -11.652 -7.870 1.00 60.44 H new ATOM 0 HD21 LEU A 57 -15.527 -10.030 -10.278 1.00 4.43 H new ATOM 0 HD22 LEU A 57 -16.272 -9.297 -8.837 1.00 4.43 H new ATOM 0 HD23 LEU A 57 -14.653 -8.779 -9.363 1.00 4.43 H new ATOM 884 N GLN A 58 -13.623 -9.663 -4.148 1.00 53.44 N ATOM 885 CA GLN A 58 -13.261 -8.795 -3.034 1.00 12.10 C ATOM 886 C GLN A 58 -12.101 -9.385 -2.239 1.00 70.12 C ATOM 887 O GLN A 58 -11.354 -8.660 -1.584 1.00 4.21 O ATOM 888 CB GLN A 58 -14.466 -8.579 -2.116 1.00 42.43 C ATOM 889 CG GLN A 58 -14.108 -7.947 -0.781 1.00 4.21 C ATOM 890 CD GLN A 58 -13.557 -6.542 -0.929 1.00 15.12 C ATOM 891 OE1 GLN A 58 -13.317 -6.071 -2.041 1.00 10.22 O ATOM 892 NE2 GLN A 58 -13.355 -5.864 0.195 1.00 51.22 N ATOM 0 H GLN A 58 -14.563 -10.056 -4.089 1.00 53.44 H new ATOM 0 HA GLN A 58 -12.947 -7.834 -3.442 1.00 12.10 H new ATOM 0 HB2 GLN A 58 -15.192 -7.945 -2.626 1.00 42.43 H new ATOM 0 HB3 GLN A 58 -14.952 -9.538 -1.936 1.00 42.43 H new ATOM 0 HG2 GLN A 58 -14.994 -7.921 -0.147 1.00 4.21 H new ATOM 0 HG3 GLN A 58 -13.371 -8.570 -0.274 1.00 4.21 H new ATOM 0 HE21 GLN A 58 -13.568 -6.294 1.095 1.00 51.22 H new ATOM 0 HE22 GLN A 58 -12.987 -4.913 0.158 1.00 51.22 H new ATOM 901 N GLU A 59 -11.958 -10.705 -2.302 1.00 62.22 N ATOM 902 CA GLU A 59 -10.889 -11.392 -1.587 1.00 4.11 C ATOM 903 C GLU A 59 -9.520 -10.909 -2.060 1.00 34.42 C ATOM 904 O GLU A 59 -8.688 -10.487 -1.258 1.00 14.25 O ATOM 905 CB GLU A 59 -11.004 -12.905 -1.783 1.00 23.03 C ATOM 906 CG GLU A 59 -10.456 -13.713 -0.618 1.00 51.11 C ATOM 907 CD GLU A 59 -11.042 -15.110 -0.550 1.00 51.24 C ATOM 908 OE1 GLU A 59 -12.121 -15.271 0.057 1.00 13.24 O ATOM 909 OE2 GLU A 59 -10.422 -16.041 -1.104 1.00 72.43 O ATOM 0 H GLU A 59 -12.569 -11.320 -2.840 1.00 62.22 H new ATOM 0 HA GLU A 59 -10.990 -11.162 -0.526 1.00 4.11 H new ATOM 0 HB2 GLU A 59 -12.052 -13.165 -1.933 1.00 23.03 H new ATOM 0 HB3 GLU A 59 -10.472 -13.187 -2.692 1.00 23.03 H new ATOM 0 HG2 GLU A 59 -9.372 -13.782 -0.707 1.00 51.11 H new ATOM 0 HG3 GLU A 59 -10.667 -13.189 0.314 1.00 51.11 H new ATOM 916 N MET A 60 -9.295 -10.977 -3.368 1.00 14.41 N ATOM 917 CA MET A 60 -8.029 -10.546 -3.948 1.00 64.22 C ATOM 918 C MET A 60 -7.870 -9.033 -3.845 1.00 3.32 C ATOM 919 O MET A 60 -6.763 -8.527 -3.653 1.00 33.41 O ATOM 920 CB MET A 60 -7.940 -10.981 -5.412 1.00 61.32 C ATOM 921 CG MET A 60 -7.513 -12.429 -5.591 1.00 72.21 C ATOM 922 SD MET A 60 -6.747 -12.735 -7.195 1.00 11.55 S ATOM 923 CE MET A 60 -5.362 -13.765 -6.717 1.00 41.22 C ATOM 0 H MET A 60 -9.973 -11.326 -4.046 1.00 14.41 H new ATOM 0 HA MET A 60 -7.222 -11.017 -3.386 1.00 64.22 H new ATOM 0 HB2 MET A 60 -8.911 -10.836 -5.885 1.00 61.32 H new ATOM 0 HB3 MET A 60 -7.232 -10.335 -5.932 1.00 61.32 H new ATOM 0 HG2 MET A 60 -6.812 -12.697 -4.801 1.00 72.21 H new ATOM 0 HG3 MET A 60 -8.383 -13.077 -5.479 1.00 72.21 H new ATOM 0 HE1 MET A 60 -4.789 -14.038 -7.603 1.00 41.22 H new ATOM 0 HE2 MET A 60 -4.722 -13.216 -6.026 1.00 41.22 H new ATOM 0 HE3 MET A 60 -5.731 -14.668 -6.231 1.00 41.22 H new ATOM 933 N ILE A 61 -8.981 -8.315 -3.973 1.00 62.44 N ATOM 934 CA ILE A 61 -8.964 -6.860 -3.893 1.00 65.14 C ATOM 935 C ILE A 61 -8.612 -6.391 -2.486 1.00 31.14 C ATOM 936 O ILE A 61 -8.137 -5.272 -2.294 1.00 10.33 O ATOM 937 CB ILE A 61 -10.322 -6.258 -4.299 1.00 2.11 C ATOM 938 CG1 ILE A 61 -10.584 -6.493 -5.788 1.00 34.12 C ATOM 939 CG2 ILE A 61 -10.359 -4.771 -3.977 1.00 72.42 C ATOM 940 CD1 ILE A 61 -11.911 -5.941 -6.262 1.00 64.10 C ATOM 0 H ILE A 61 -9.904 -8.718 -4.133 1.00 62.44 H new ATOM 0 HA ILE A 61 -8.200 -6.514 -4.590 1.00 65.14 H new ATOM 0 HB ILE A 61 -11.108 -6.753 -3.729 1.00 2.11 H new ATOM 0 HG12 ILE A 61 -9.782 -6.035 -6.367 1.00 34.12 H new ATOM 0 HG13 ILE A 61 -10.552 -7.564 -5.990 1.00 34.12 H new ATOM 0 HG21 ILE A 61 -11.325 -4.359 -4.270 1.00 72.42 H new ATOM 0 HG22 ILE A 61 -10.212 -4.627 -2.907 1.00 72.42 H new ATOM 0 HG23 ILE A 61 -9.566 -4.260 -4.524 1.00 72.42 H new ATOM 0 HD11 ILE A 61 -12.030 -6.143 -7.326 1.00 64.10 H new ATOM 0 HD12 ILE A 61 -12.721 -6.417 -5.709 1.00 64.10 H new ATOM 0 HD13 ILE A 61 -11.939 -4.865 -6.092 1.00 64.10 H new ATOM 952 N ASP A 62 -8.847 -7.255 -1.504 1.00 72.14 N ATOM 953 CA ASP A 62 -8.553 -6.931 -0.113 1.00 42.13 C ATOM 954 C ASP A 62 -7.053 -6.745 0.096 1.00 52.44 C ATOM 955 O ASP A 62 -6.616 -5.741 0.657 1.00 43.33 O ATOM 956 CB ASP A 62 -9.076 -8.031 0.811 1.00 72.52 C ATOM 957 CG ASP A 62 -8.770 -7.757 2.270 1.00 42.41 C ATOM 958 OD1 ASP A 62 -8.827 -6.577 2.676 1.00 3.15 O ATOM 959 OD2 ASP A 62 -8.474 -8.721 3.005 1.00 21.15 O ATOM 0 H ASP A 62 -9.240 -8.185 -1.646 1.00 72.14 H new ATOM 0 HA ASP A 62 -9.055 -5.994 0.130 1.00 42.13 H new ATOM 0 HB2 ASP A 62 -10.154 -8.128 0.681 1.00 72.52 H new ATOM 0 HB3 ASP A 62 -8.633 -8.984 0.523 1.00 72.52 H new ATOM 964 N GLU A 63 -6.272 -7.719 -0.359 1.00 22.42 N ATOM 965 CA GLU A 63 -4.821 -7.663 -0.219 1.00 55.54 C ATOM 966 C GLU A 63 -4.225 -6.615 -1.156 1.00 35.33 C ATOM 967 O GLU A 63 -3.120 -6.123 -0.931 1.00 42.31 O ATOM 968 CB GLU A 63 -4.205 -9.032 -0.510 1.00 62.41 C ATOM 969 CG GLU A 63 -3.718 -9.757 0.733 1.00 20.05 C ATOM 970 CD GLU A 63 -4.678 -9.624 1.900 1.00 41.32 C ATOM 971 OE1 GLU A 63 -5.760 -10.246 1.851 1.00 43.20 O ATOM 972 OE2 GLU A 63 -4.348 -8.898 2.860 1.00 1.45 O ATOM 0 H GLU A 63 -6.619 -8.556 -0.827 1.00 22.42 H new ATOM 0 HA GLU A 63 -4.591 -7.381 0.808 1.00 55.54 H new ATOM 0 HB2 GLU A 63 -4.944 -9.653 -1.017 1.00 62.41 H new ATOM 0 HB3 GLU A 63 -3.369 -8.906 -1.198 1.00 62.41 H new ATOM 0 HG2 GLU A 63 -3.577 -10.813 0.502 1.00 20.05 H new ATOM 0 HG3 GLU A 63 -2.744 -9.362 1.022 1.00 20.05 H new ATOM 979 N VAL A 64 -4.966 -6.280 -2.207 1.00 54.12 N ATOM 980 CA VAL A 64 -4.513 -5.291 -3.178 1.00 62.20 C ATOM 981 C VAL A 64 -4.761 -3.873 -2.675 1.00 60.54 C ATOM 982 O VAL A 64 -3.842 -3.057 -2.609 1.00 64.44 O ATOM 983 CB VAL A 64 -5.217 -5.473 -4.536 1.00 31.54 C ATOM 984 CG1 VAL A 64 -4.808 -4.372 -5.502 1.00 25.51 C ATOM 985 CG2 VAL A 64 -4.908 -6.845 -5.116 1.00 31.43 C ATOM 0 H VAL A 64 -5.883 -6.679 -2.408 1.00 54.12 H new ATOM 0 HA VAL A 64 -3.442 -5.445 -3.309 1.00 62.20 H new ATOM 0 HB VAL A 64 -6.294 -5.404 -4.380 1.00 31.54 H new ATOM 0 HG11 VAL A 64 -5.315 -4.518 -6.456 1.00 25.51 H new ATOM 0 HG12 VAL A 64 -5.085 -3.403 -5.088 1.00 25.51 H new ATOM 0 HG13 VAL A 64 -3.729 -4.405 -5.656 1.00 25.51 H new ATOM 0 HG21 VAL A 64 -5.413 -6.957 -6.075 1.00 31.43 H new ATOM 0 HG22 VAL A 64 -3.832 -6.946 -5.259 1.00 31.43 H new ATOM 0 HG23 VAL A 64 -5.257 -7.617 -4.430 1.00 31.43 H new ATOM 995 N ASP A 65 -6.009 -3.587 -2.322 1.00 30.34 N ATOM 996 CA ASP A 65 -6.379 -2.268 -1.823 1.00 1.31 C ATOM 997 C ASP A 65 -5.758 -2.011 -0.453 1.00 41.34 C ATOM 998 O ASP A 65 -6.337 -2.356 0.576 1.00 74.35 O ATOM 999 CB ASP A 65 -7.901 -2.139 -1.739 1.00 4.10 C ATOM 1000 CG ASP A 65 -8.421 -0.926 -2.485 1.00 1.12 C ATOM 1001 OD1 ASP A 65 -7.791 -0.531 -3.488 1.00 40.24 O ATOM 1002 OD2 ASP A 65 -9.459 -0.372 -2.066 1.00 24.24 O ATOM 0 H ASP A 65 -6.782 -4.251 -2.372 1.00 30.34 H new ATOM 0 HA ASP A 65 -5.997 -1.523 -2.521 1.00 1.31 H new ATOM 0 HB2 ASP A 65 -8.362 -3.038 -2.147 1.00 4.10 H new ATOM 0 HB3 ASP A 65 -8.200 -2.074 -0.693 1.00 4.10 H new ATOM 1007 N GLU A 66 -4.575 -1.403 -0.450 1.00 35.10 N ATOM 1008 CA GLU A 66 -3.876 -1.102 0.793 1.00 23.14 C ATOM 1009 C GLU A 66 -4.588 0.005 1.564 1.00 12.34 C ATOM 1010 O GLU A 66 -4.460 0.108 2.785 1.00 53.14 O ATOM 1011 CB GLU A 66 -2.431 -0.689 0.504 1.00 20.24 C ATOM 1012 CG GLU A 66 -2.315 0.574 -0.331 1.00 43.53 C ATOM 1013 CD GLU A 66 -2.376 1.836 0.508 1.00 42.25 C ATOM 1014 OE1 GLU A 66 -2.385 1.723 1.751 1.00 71.10 O ATOM 1015 OE2 GLU A 66 -2.414 2.937 -0.081 1.00 1.55 O ATOM 0 H GLU A 66 -4.082 -1.110 -1.294 1.00 35.10 H new ATOM 0 HA GLU A 66 -3.874 -2.004 1.406 1.00 23.14 H new ATOM 0 HB2 GLU A 66 -1.909 -0.539 1.449 1.00 20.24 H new ATOM 0 HB3 GLU A 66 -1.925 -1.504 -0.013 1.00 20.24 H new ATOM 0 HG2 GLU A 66 -1.376 0.555 -0.884 1.00 43.53 H new ATOM 0 HG3 GLU A 66 -3.118 0.593 -1.068 1.00 43.53 H new ATOM 1022 N ASP A 67 -5.338 0.832 0.844 1.00 71.44 N ATOM 1023 CA ASP A 67 -6.072 1.931 1.459 1.00 40.54 C ATOM 1024 C ASP A 67 -7.505 1.518 1.777 1.00 74.34 C ATOM 1025 O ASP A 67 -8.244 2.253 2.431 1.00 61.33 O ATOM 1026 CB ASP A 67 -6.073 3.151 0.536 1.00 41.21 C ATOM 1027 CG ASP A 67 -6.353 2.785 -0.908 1.00 63.52 C ATOM 1028 OD1 ASP A 67 -7.003 1.744 -1.141 1.00 70.12 O ATOM 1029 OD2 ASP A 67 -5.922 3.539 -1.805 1.00 73.45 O ATOM 0 H ASP A 67 -5.453 0.762 -0.167 1.00 71.44 H new ATOM 0 HA ASP A 67 -5.573 2.191 2.392 1.00 40.54 H new ATOM 0 HB2 ASP A 67 -6.824 3.862 0.880 1.00 41.21 H new ATOM 0 HB3 ASP A 67 -5.107 3.652 0.600 1.00 41.21 H new ATOM 1034 N GLY A 68 -7.893 0.335 1.308 1.00 42.23 N ATOM 1035 CA GLY A 68 -9.237 -0.155 1.551 1.00 23.31 C ATOM 1036 C GLY A 68 -10.302 0.815 1.080 1.00 31.31 C ATOM 1037 O GLY A 68 -11.306 1.023 1.761 1.00 73.11 O ATOM 0 H GLY A 68 -7.300 -0.292 0.764 1.00 42.23 H new ATOM 0 HA2 GLY A 68 -9.370 -1.110 1.043 1.00 23.31 H new ATOM 0 HA3 GLY A 68 -9.365 -0.341 2.617 1.00 23.31 H new ATOM 1041 N SER A 69 -10.083 1.411 -0.087 1.00 62.04 N ATOM 1042 CA SER A 69 -11.030 2.369 -0.646 1.00 63.23 C ATOM 1043 C SER A 69 -12.292 1.664 -1.133 1.00 71.10 C ATOM 1044 O SER A 69 -13.348 2.281 -1.268 1.00 71.51 O ATOM 1045 CB SER A 69 -10.386 3.141 -1.800 1.00 21.33 C ATOM 1046 OG SER A 69 -9.005 3.355 -1.562 1.00 74.24 O ATOM 0 H SER A 69 -9.258 1.248 -0.664 1.00 62.04 H new ATOM 0 HA SER A 69 -11.307 3.070 0.141 1.00 63.23 H new ATOM 0 HB2 SER A 69 -10.517 2.587 -2.730 1.00 21.33 H new ATOM 0 HB3 SER A 69 -10.889 4.100 -1.926 1.00 21.33 H new ATOM 0 HG SER A 69 -8.504 2.544 -1.791 1.00 74.24 H new ATOM 1052 N GLY A 70 -12.174 0.366 -1.395 1.00 60.32 N ATOM 1053 CA GLY A 70 -13.312 -0.403 -1.864 1.00 50.13 C ATOM 1054 C GLY A 70 -13.237 -0.703 -3.348 1.00 53.43 C ATOM 1055 O GLY A 70 -14.057 -1.451 -3.881 1.00 75.10 O ATOM 0 H GLY A 70 -11.311 -0.167 -1.291 1.00 60.32 H new ATOM 0 HA2 GLY A 70 -13.367 -1.340 -1.309 1.00 50.13 H new ATOM 0 HA3 GLY A 70 -14.230 0.146 -1.653 1.00 50.13 H new ATOM 1059 N THR A 71 -12.251 -0.116 -4.020 1.00 55.22 N ATOM 1060 CA THR A 71 -12.074 -0.322 -5.452 1.00 52.51 C ATOM 1061 C THR A 71 -10.598 -0.309 -5.831 1.00 24.24 C ATOM 1062 O THR A 71 -9.752 0.142 -5.058 1.00 40.10 O ATOM 1063 CB THR A 71 -12.811 0.756 -6.270 1.00 32.21 C ATOM 1064 OG1 THR A 71 -12.112 2.002 -6.180 1.00 51.35 O ATOM 1065 CG2 THR A 71 -14.238 0.932 -5.772 1.00 23.23 C ATOM 0 H THR A 71 -11.563 0.506 -3.595 1.00 55.22 H new ATOM 0 HA THR A 71 -12.498 -1.299 -5.685 1.00 52.51 H new ATOM 0 HB THR A 71 -12.843 0.432 -7.310 1.00 32.21 H new ATOM 0 HG1 THR A 71 -12.752 2.741 -6.243 1.00 51.35 H new ATOM 0 HG21 THR A 71 -14.738 1.698 -6.365 1.00 23.23 H new ATOM 0 HG22 THR A 71 -14.776 -0.011 -5.869 1.00 23.23 H new ATOM 0 HG23 THR A 71 -14.223 1.235 -4.725 1.00 23.23 H new ATOM 1073 N VAL A 72 -10.293 -0.807 -7.025 1.00 54.01 N ATOM 1074 CA VAL A 72 -8.918 -0.851 -7.507 1.00 71.41 C ATOM 1075 C VAL A 72 -8.654 0.259 -8.517 1.00 42.43 C ATOM 1076 O VAL A 72 -9.440 0.473 -9.440 1.00 61.05 O ATOM 1077 CB VAL A 72 -8.595 -2.210 -8.158 1.00 0.53 C ATOM 1078 CG1 VAL A 72 -7.446 -2.069 -9.144 1.00 65.30 C ATOM 1079 CG2 VAL A 72 -8.271 -3.246 -7.093 1.00 31.32 C ATOM 0 H VAL A 72 -10.980 -1.186 -7.677 1.00 54.01 H new ATOM 0 HA VAL A 72 -8.274 -0.709 -6.639 1.00 71.41 H new ATOM 0 HB VAL A 72 -9.473 -2.549 -8.707 1.00 0.53 H new ATOM 0 HG11 VAL A 72 -7.232 -3.038 -9.594 1.00 65.30 H new ATOM 0 HG12 VAL A 72 -7.721 -1.360 -9.924 1.00 65.30 H new ATOM 0 HG13 VAL A 72 -6.560 -1.708 -8.621 1.00 65.30 H new ATOM 0 HG21 VAL A 72 -8.045 -4.200 -7.570 1.00 31.32 H new ATOM 0 HG22 VAL A 72 -7.408 -2.916 -6.515 1.00 31.32 H new ATOM 0 HG23 VAL A 72 -9.127 -3.366 -6.429 1.00 31.32 H new ATOM 1089 N ASP A 73 -7.542 0.964 -8.336 1.00 71.34 N ATOM 1090 CA ASP A 73 -7.172 2.053 -9.233 1.00 72.52 C ATOM 1091 C ASP A 73 -6.171 1.577 -10.281 1.00 70.13 C ATOM 1092 O ASP A 73 -5.799 0.404 -10.312 1.00 61.32 O ATOM 1093 CB ASP A 73 -6.582 3.218 -8.438 1.00 52.43 C ATOM 1094 CG ASP A 73 -6.928 4.565 -9.042 1.00 54.03 C ATOM 1095 OD1 ASP A 73 -8.100 4.984 -8.927 1.00 64.13 O ATOM 1096 OD2 ASP A 73 -6.028 5.201 -9.629 1.00 72.44 O ATOM 0 H ASP A 73 -6.881 0.801 -7.576 1.00 71.34 H new ATOM 0 HA ASP A 73 -8.073 2.392 -9.745 1.00 72.52 H new ATOM 0 HB2 ASP A 73 -6.950 3.178 -7.413 1.00 52.43 H new ATOM 0 HB3 ASP A 73 -5.498 3.111 -8.392 1.00 52.43 H new ATOM 1101 N PHE A 74 -5.739 2.495 -11.139 1.00 54.25 N ATOM 1102 CA PHE A 74 -4.783 2.169 -12.191 1.00 2.42 C ATOM 1103 C PHE A 74 -3.480 1.644 -11.596 1.00 65.55 C ATOM 1104 O PHE A 74 -2.839 0.758 -12.163 1.00 71.02 O ATOM 1105 CB PHE A 74 -4.502 3.401 -13.054 1.00 54.21 C ATOM 1106 CG PHE A 74 -3.492 3.156 -14.138 1.00 5.33 C ATOM 1107 CD1 PHE A 74 -3.400 1.917 -14.751 1.00 1.23 C ATOM 1108 CD2 PHE A 74 -2.633 4.165 -14.543 1.00 4.21 C ATOM 1109 CE1 PHE A 74 -2.471 1.689 -15.748 1.00 70.54 C ATOM 1110 CE2 PHE A 74 -1.702 3.943 -15.540 1.00 72.43 C ATOM 1111 CZ PHE A 74 -1.620 2.702 -16.143 1.00 14.51 C ATOM 0 H PHE A 74 -6.036 3.471 -11.127 1.00 54.25 H new ATOM 0 HA PHE A 74 -5.219 1.389 -12.815 1.00 2.42 H new ATOM 0 HB2 PHE A 74 -5.435 3.738 -13.507 1.00 54.21 H new ATOM 0 HB3 PHE A 74 -4.148 4.210 -12.415 1.00 54.21 H new ATOM 0 HD1 PHE A 74 -4.062 1.120 -14.446 1.00 1.23 H new ATOM 0 HD2 PHE A 74 -2.692 5.136 -14.074 1.00 4.21 H new ATOM 0 HE1 PHE A 74 -2.411 0.719 -16.218 1.00 70.54 H new ATOM 0 HE2 PHE A 74 -1.039 4.738 -15.848 1.00 72.43 H new ATOM 0 HZ PHE A 74 -0.892 2.525 -16.921 1.00 14.51 H new ATOM 1121 N ASP A 75 -3.093 2.196 -10.452 1.00 33.13 N ATOM 1122 CA ASP A 75 -1.867 1.783 -9.779 1.00 40.11 C ATOM 1123 C ASP A 75 -2.017 0.386 -9.185 1.00 1.22 C ATOM 1124 O ASP A 75 -1.207 -0.501 -9.450 1.00 24.12 O ATOM 1125 CB ASP A 75 -1.502 2.782 -8.680 1.00 1.01 C ATOM 1126 CG ASP A 75 -2.691 3.151 -7.814 1.00 62.54 C ATOM 1127 OD1 ASP A 75 -3.426 4.090 -8.185 1.00 33.34 O ATOM 1128 OD2 ASP A 75 -2.886 2.499 -6.767 1.00 53.22 O ATOM 0 H ASP A 75 -3.611 2.931 -9.971 1.00 33.13 H new ATOM 0 HA ASP A 75 -1.066 1.759 -10.518 1.00 40.11 H new ATOM 0 HB2 ASP A 75 -0.718 2.358 -8.053 1.00 1.01 H new ATOM 0 HB3 ASP A 75 -1.093 3.684 -9.135 1.00 1.01 H new ATOM 1133 N GLU A 76 -3.058 0.200 -8.380 1.00 31.35 N ATOM 1134 CA GLU A 76 -3.312 -1.089 -7.746 1.00 71.04 C ATOM 1135 C GLU A 76 -3.610 -2.160 -8.792 1.00 45.21 C ATOM 1136 O GLU A 76 -3.280 -3.331 -8.607 1.00 32.40 O ATOM 1137 CB GLU A 76 -4.482 -0.979 -6.766 1.00 62.01 C ATOM 1138 CG GLU A 76 -4.132 -0.248 -5.481 1.00 12.12 C ATOM 1139 CD GLU A 76 -5.342 0.385 -4.822 1.00 54.21 C ATOM 1140 OE1 GLU A 76 -6.319 0.685 -5.540 1.00 73.44 O ATOM 1141 OE2 GLU A 76 -5.313 0.581 -3.589 1.00 42.43 O ATOM 0 H GLU A 76 -3.739 0.924 -8.151 1.00 31.35 H new ATOM 0 HA GLU A 76 -2.415 -1.379 -7.199 1.00 71.04 H new ATOM 0 HB2 GLU A 76 -5.307 -0.462 -7.255 1.00 62.01 H new ATOM 0 HB3 GLU A 76 -4.834 -1.981 -6.520 1.00 62.01 H new ATOM 0 HG2 GLU A 76 -3.668 -0.947 -4.785 1.00 12.12 H new ATOM 0 HG3 GLU A 76 -3.394 0.525 -5.696 1.00 12.12 H new ATOM 1148 N TRP A 77 -4.234 -1.749 -9.889 1.00 54.35 N ATOM 1149 CA TRP A 77 -4.577 -2.672 -10.965 1.00 34.41 C ATOM 1150 C TRP A 77 -3.327 -3.139 -11.701 1.00 64.13 C ATOM 1151 O TRP A 77 -3.263 -4.272 -12.181 1.00 40.34 O ATOM 1152 CB TRP A 77 -5.544 -2.008 -11.947 1.00 32.25 C ATOM 1153 CG TRP A 77 -6.169 -2.972 -12.909 1.00 61.21 C ATOM 1154 CD1 TRP A 77 -7.387 -3.578 -12.788 1.00 51.32 C ATOM 1155 CD2 TRP A 77 -5.605 -3.443 -14.138 1.00 40.21 C ATOM 1156 NE1 TRP A 77 -7.614 -4.396 -13.868 1.00 74.42 N ATOM 1157 CE2 TRP A 77 -6.537 -4.331 -14.711 1.00 44.50 C ATOM 1158 CE3 TRP A 77 -4.405 -3.199 -14.811 1.00 60.14 C ATOM 1159 CZ2 TRP A 77 -6.303 -4.974 -15.923 1.00 61.23 C ATOM 1160 CZ3 TRP A 77 -4.174 -3.839 -16.014 1.00 53.13 C ATOM 1161 CH2 TRP A 77 -5.120 -4.717 -16.561 1.00 24.22 C ATOM 0 H TRP A 77 -4.513 -0.783 -10.057 1.00 54.35 H new ATOM 0 HA TRP A 77 -5.061 -3.542 -10.522 1.00 34.41 H new ATOM 0 HB2 TRP A 77 -6.331 -1.504 -11.386 1.00 32.25 H new ATOM 0 HB3 TRP A 77 -5.011 -1.240 -12.508 1.00 32.25 H new ATOM 0 HD1 TRP A 77 -8.071 -3.435 -11.964 1.00 51.32 H new ATOM 0 HE1 TRP A 77 -8.450 -4.961 -14.018 1.00 74.42 H new ATOM 0 HE3 TRP A 77 -3.671 -2.522 -14.399 1.00 60.14 H new ATOM 0 HZ2 TRP A 77 -7.030 -5.652 -16.345 1.00 61.23 H new ATOM 0 HZ3 TRP A 77 -3.249 -3.660 -16.542 1.00 53.13 H new ATOM 0 HH2 TRP A 77 -4.911 -5.200 -17.504 1.00 24.22 H new ATOM 1172 N LEU A 78 -2.334 -2.261 -11.787 1.00 44.11 N ATOM 1173 CA LEU A 78 -1.083 -2.584 -12.465 1.00 51.24 C ATOM 1174 C LEU A 78 -0.233 -3.526 -11.620 1.00 24.40 C ATOM 1175 O LEU A 78 0.248 -4.550 -12.106 1.00 21.31 O ATOM 1176 CB LEU A 78 -0.300 -1.305 -12.769 1.00 23.41 C ATOM 1177 CG LEU A 78 0.281 -1.193 -14.179 1.00 24.03 C ATOM 1178 CD1 LEU A 78 0.698 0.240 -14.472 1.00 23.14 C ATOM 1179 CD2 LEU A 78 1.462 -2.139 -14.346 1.00 11.41 C ATOM 0 H LEU A 78 -2.371 -1.320 -11.396 1.00 44.11 H new ATOM 0 HA LEU A 78 -1.325 -3.086 -13.402 1.00 51.24 H new ATOM 0 HB2 LEU A 78 -0.957 -0.452 -12.599 1.00 23.41 H new ATOM 0 HB3 LEU A 78 0.518 -1.225 -12.053 1.00 23.41 H new ATOM 0 HG LEU A 78 -0.491 -1.478 -14.893 1.00 24.03 H new ATOM 0 HD11 LEU A 78 1.109 0.300 -15.480 1.00 23.14 H new ATOM 0 HD12 LEU A 78 -0.170 0.895 -14.394 1.00 23.14 H new ATOM 0 HD13 LEU A 78 1.454 0.553 -13.752 1.00 23.14 H new ATOM 0 HD21 LEU A 78 1.863 -2.046 -15.355 1.00 11.41 H new ATOM 0 HD22 LEU A 78 2.237 -1.885 -13.623 1.00 11.41 H new ATOM 0 HD23 LEU A 78 1.133 -3.165 -14.180 1.00 11.41 H new ATOM 1191 N VAL A 79 -0.052 -3.175 -10.351 1.00 14.23 N ATOM 1192 CA VAL A 79 0.737 -3.991 -9.436 1.00 40.20 C ATOM 1193 C VAL A 79 0.166 -5.400 -9.324 1.00 52.20 C ATOM 1194 O VAL A 79 0.881 -6.346 -8.998 1.00 65.41 O ATOM 1195 CB VAL A 79 0.798 -3.360 -8.032 1.00 64.40 C ATOM 1196 CG1 VAL A 79 1.542 -2.034 -8.074 1.00 61.20 C ATOM 1197 CG2 VAL A 79 -0.603 -3.178 -7.469 1.00 2.32 C ATOM 0 H VAL A 79 -0.442 -2.330 -9.933 1.00 14.23 H new ATOM 0 HA VAL A 79 1.745 -4.043 -9.847 1.00 40.20 H new ATOM 0 HB VAL A 79 1.345 -4.034 -7.373 1.00 64.40 H new ATOM 0 HG11 VAL A 79 1.575 -1.603 -7.073 1.00 61.20 H new ATOM 0 HG12 VAL A 79 2.558 -2.198 -8.432 1.00 61.20 H new ATOM 0 HG13 VAL A 79 1.027 -1.349 -8.747 1.00 61.20 H new ATOM 0 HG21 VAL A 79 -0.541 -2.731 -6.477 1.00 2.32 H new ATOM 0 HG22 VAL A 79 -1.177 -2.525 -8.126 1.00 2.32 H new ATOM 0 HG23 VAL A 79 -1.096 -4.148 -7.400 1.00 2.32 H new ATOM 1207 N MET A 80 -1.128 -5.531 -9.597 1.00 32.10 N ATOM 1208 CA MET A 80 -1.796 -6.826 -9.529 1.00 4.04 C ATOM 1209 C MET A 80 -1.006 -7.885 -10.291 1.00 32.52 C ATOM 1210 O MET A 80 -0.593 -8.894 -9.720 1.00 62.43 O ATOM 1211 CB MET A 80 -3.213 -6.724 -10.095 1.00 11.40 C ATOM 1212 CG MET A 80 -4.202 -7.668 -9.432 1.00 33.23 C ATOM 1213 SD MET A 80 -5.881 -7.010 -9.405 1.00 5.43 S ATOM 1214 CE MET A 80 -6.000 -6.319 -11.053 1.00 2.11 C ATOM 0 H MET A 80 -1.735 -4.757 -9.867 1.00 32.10 H new ATOM 0 HA MET A 80 -1.852 -7.123 -8.482 1.00 4.04 H new ATOM 0 HB2 MET A 80 -3.568 -5.700 -9.980 1.00 11.40 H new ATOM 0 HB3 MET A 80 -3.184 -6.934 -11.164 1.00 11.40 H new ATOM 0 HG2 MET A 80 -4.198 -8.621 -9.960 1.00 33.23 H new ATOM 0 HG3 MET A 80 -3.878 -7.868 -8.411 1.00 33.23 H new ATOM 0 HE1 MET A 80 -7.021 -5.985 -11.234 1.00 2.11 H new ATOM 0 HE2 MET A 80 -5.320 -5.472 -11.142 1.00 2.11 H new ATOM 0 HE3 MET A 80 -5.731 -7.079 -11.787 1.00 2.11 H new ATOM 1224 N MET A 81 -0.801 -7.649 -11.582 1.00 72.14 N ATOM 1225 CA MET A 81 -0.060 -8.584 -12.422 1.00 13.42 C ATOM 1226 C MET A 81 1.416 -8.604 -12.040 1.00 23.32 C ATOM 1227 O MET A 81 2.076 -9.639 -12.131 1.00 30.11 O ATOM 1228 CB MET A 81 -0.212 -8.208 -13.897 1.00 73.11 C ATOM 1229 CG MET A 81 0.104 -6.750 -14.189 1.00 30.22 C ATOM 1230 SD MET A 81 -1.378 -5.756 -14.446 1.00 11.10 S ATOM 1231 CE MET A 81 -2.243 -6.746 -15.662 1.00 73.21 C ATOM 0 H MET A 81 -1.137 -6.819 -12.070 1.00 72.14 H new ATOM 0 HA MET A 81 -0.472 -9.581 -12.265 1.00 13.42 H new ATOM 0 HB2 MET A 81 0.445 -8.840 -14.494 1.00 73.11 H new ATOM 0 HB3 MET A 81 -1.233 -8.420 -14.214 1.00 73.11 H new ATOM 0 HG2 MET A 81 0.677 -6.334 -13.361 1.00 30.22 H new ATOM 0 HG3 MET A 81 0.735 -6.690 -15.075 1.00 30.22 H new ATOM 0 HE1 MET A 81 -2.578 -6.107 -16.479 1.00 73.21 H new ATOM 0 HE2 MET A 81 -1.572 -7.512 -16.051 1.00 73.21 H new ATOM 0 HE3 MET A 81 -3.106 -7.222 -15.196 1.00 73.21 H new ATOM 1241 N ALA A 82 1.929 -7.455 -11.613 1.00 14.24 N ATOM 1242 CA ALA A 82 3.327 -7.342 -11.215 1.00 75.34 C ATOM 1243 C ALA A 82 3.660 -8.322 -10.095 1.00 55.12 C ATOM 1244 O ALA A 82 4.781 -8.822 -10.008 1.00 42.21 O ATOM 1245 CB ALA A 82 3.639 -5.917 -10.783 1.00 64.33 C ATOM 0 H ALA A 82 1.397 -6.588 -11.534 1.00 14.24 H new ATOM 0 HA ALA A 82 3.946 -7.592 -12.077 1.00 75.34 H new ATOM 0 HB1 ALA A 82 4.686 -5.847 -10.488 1.00 64.33 H new ATOM 0 HB2 ALA A 82 3.449 -5.236 -11.612 1.00 64.33 H new ATOM 0 HB3 ALA A 82 3.006 -5.646 -9.938 1.00 64.33 H new ATOM 1251 N ARG A 83 2.679 -8.591 -9.240 1.00 34.30 N ATOM 1252 CA ARG A 83 2.869 -9.510 -8.124 1.00 12.11 C ATOM 1253 C ARG A 83 3.173 -10.919 -8.625 1.00 43.41 C ATOM 1254 O ARG A 83 3.792 -11.718 -7.922 1.00 21.22 O ATOM 1255 CB ARG A 83 1.624 -9.531 -7.235 1.00 72.23 C ATOM 1256 CG ARG A 83 1.914 -9.897 -5.789 1.00 20.11 C ATOM 1257 CD ARG A 83 0.851 -9.347 -4.851 1.00 71.00 C ATOM 1258 NE ARG A 83 1.345 -9.210 -3.484 1.00 22.14 N ATOM 1259 CZ ARG A 83 0.554 -9.044 -2.429 1.00 62.34 C ATOM 1260 NH1 ARG A 83 -0.762 -8.996 -2.585 1.00 4.41 N ATOM 1261 NH2 ARG A 83 1.079 -8.927 -1.216 1.00 62.44 N ATOM 0 H ARG A 83 1.745 -8.186 -9.299 1.00 34.30 H new ATOM 0 HA ARG A 83 3.719 -9.160 -7.539 1.00 12.11 H new ATOM 0 HB2 ARG A 83 1.150 -8.550 -7.264 1.00 72.23 H new ATOM 0 HB3 ARG A 83 0.908 -10.243 -7.644 1.00 72.23 H new ATOM 0 HG2 ARG A 83 1.962 -10.981 -5.690 1.00 20.11 H new ATOM 0 HG3 ARG A 83 2.891 -9.507 -5.503 1.00 20.11 H new ATOM 0 HD2 ARG A 83 0.515 -8.376 -5.214 1.00 71.00 H new ATOM 0 HD3 ARG A 83 -0.016 -10.008 -4.859 1.00 71.00 H new ATOM 0 HE ARG A 83 2.353 -9.244 -3.330 1.00 22.14 H new ATOM 0 HH11 ARG A 83 -1.169 -9.087 -3.516 1.00 4.41 H new ATOM 0 HH12 ARG A 83 -1.367 -8.869 -1.774 1.00 4.41 H new ATOM 0 HH21 ARG A 83 2.091 -8.964 -1.092 1.00 62.44 H new ATOM 0 HH22 ARG A 83 0.471 -8.800 -0.407 1.00 62.44 H new ATOM 1275 N CYS A 84 2.734 -11.215 -9.843 1.00 64.13 N ATOM 1276 CA CYS A 84 2.959 -12.528 -10.438 1.00 52.24 C ATOM 1277 C CYS A 84 4.435 -12.732 -10.765 1.00 13.33 C ATOM 1278 O CYS A 84 4.922 -13.861 -10.803 1.00 33.24 O ATOM 1279 CB CYS A 84 2.117 -12.687 -11.705 1.00 61.03 C ATOM 1280 SG CYS A 84 1.609 -14.389 -12.045 1.00 45.22 S ATOM 0 H CYS A 84 2.221 -10.564 -10.438 1.00 64.13 H new ATOM 0 HA CYS A 84 2.659 -13.284 -9.713 1.00 52.24 H new ATOM 0 HB2 CYS A 84 1.227 -12.064 -11.617 1.00 61.03 H new ATOM 0 HB3 CYS A 84 2.686 -12.312 -12.556 1.00 61.03 H new ATOM 0 HG CYS A 84 0.900 -14.421 -13.134 1.00 45.22 H new ATOM 1286 N MET A 85 5.141 -11.631 -11.001 1.00 54.22 N ATOM 1287 CA MET A 85 6.561 -11.689 -11.325 1.00 63.41 C ATOM 1288 C MET A 85 7.398 -11.900 -10.067 1.00 14.01 C ATOM 1289 O MET A 85 8.402 -12.612 -10.088 1.00 50.33 O ATOM 1290 CB MET A 85 6.998 -10.405 -12.033 1.00 22.31 C ATOM 1291 CG MET A 85 6.519 -10.312 -13.472 1.00 50.25 C ATOM 1292 SD MET A 85 4.812 -9.746 -13.601 1.00 12.22 S ATOM 1293 CE MET A 85 4.420 -10.231 -15.280 1.00 13.12 C ATOM 0 H MET A 85 4.753 -10.688 -10.974 1.00 54.22 H new ATOM 0 HA MET A 85 6.721 -12.536 -11.993 1.00 63.41 H new ATOM 0 HB2 MET A 85 6.621 -9.547 -11.477 1.00 22.31 H new ATOM 0 HB3 MET A 85 8.086 -10.343 -12.016 1.00 22.31 H new ATOM 0 HG2 MET A 85 7.166 -9.630 -14.023 1.00 50.25 H new ATOM 0 HG3 MET A 85 6.610 -11.290 -13.945 1.00 50.25 H new ATOM 0 HE1 MET A 85 3.393 -9.947 -15.510 1.00 13.12 H new ATOM 0 HE2 MET A 85 5.098 -9.731 -15.971 1.00 13.12 H new ATOM 0 HE3 MET A 85 4.530 -11.311 -15.382 1.00 13.12 H new ATOM 1303 N LYS A 86 6.977 -11.277 -8.971 1.00 43.53 N ATOM 1304 CA LYS A 86 7.686 -11.396 -7.703 1.00 3.11 C ATOM 1305 C LYS A 86 9.193 -11.273 -7.908 1.00 32.00 C ATOM 1306 O LYS A 86 9.977 -11.950 -7.242 1.00 13.40 O ATOM 1307 CB LYS A 86 7.359 -12.734 -7.036 1.00 41.11 C ATOM 1308 CG LYS A 86 7.370 -12.676 -5.518 1.00 51.23 C ATOM 1309 CD LYS A 86 5.962 -12.724 -4.948 1.00 62.04 C ATOM 1310 CE LYS A 86 5.970 -12.599 -3.433 1.00 10.44 C ATOM 1311 NZ LYS A 86 6.331 -13.883 -2.772 1.00 23.24 N ATOM 0 H LYS A 86 6.148 -10.684 -8.936 1.00 43.53 H new ATOM 0 HA LYS A 86 7.358 -10.584 -7.055 1.00 3.11 H new ATOM 0 HB2 LYS A 86 6.377 -13.067 -7.371 1.00 41.11 H new ATOM 0 HB3 LYS A 86 8.080 -13.482 -7.368 1.00 41.11 H new ATOM 0 HG2 LYS A 86 7.951 -13.510 -5.125 1.00 51.23 H new ATOM 0 HG3 LYS A 86 7.865 -11.761 -5.191 1.00 51.23 H new ATOM 0 HD2 LYS A 86 5.367 -11.918 -5.378 1.00 62.04 H new ATOM 0 HD3 LYS A 86 5.484 -13.661 -5.234 1.00 62.04 H new ATOM 0 HE2 LYS A 86 6.679 -11.826 -3.136 1.00 10.44 H new ATOM 0 HE3 LYS A 86 4.986 -12.278 -3.090 1.00 10.44 H new ATOM 0 HZ1 LYS A 86 6.325 -13.756 -1.740 1.00 23.24 H new ATOM 0 HZ2 LYS A 86 5.640 -14.615 -3.035 1.00 23.24 H new ATOM 0 HZ3 LYS A 86 7.280 -14.177 -3.079 1.00 23.24 H new ATOM 1325 N ASP A 87 9.591 -10.405 -8.832 1.00 34.32 N ATOM 1326 CA ASP A 87 11.004 -10.192 -9.122 1.00 54.15 C ATOM 1327 C ASP A 87 11.679 -9.415 -7.997 1.00 33.15 C ATOM 1328 O ASP A 87 11.733 -8.185 -8.023 1.00 34.42 O ATOM 1329 CB ASP A 87 11.167 -9.442 -10.445 1.00 55.14 C ATOM 1330 CG ASP A 87 11.100 -10.365 -11.646 1.00 51.23 C ATOM 1331 OD1 ASP A 87 10.561 -11.483 -11.506 1.00 65.24 O ATOM 1332 OD2 ASP A 87 11.585 -9.969 -12.726 1.00 44.42 O ATOM 0 H ASP A 87 8.955 -9.838 -9.393 1.00 34.32 H new ATOM 0 HA ASP A 87 11.484 -11.167 -9.204 1.00 54.15 H new ATOM 0 HB2 ASP A 87 10.387 -8.685 -10.528 1.00 55.14 H new ATOM 0 HB3 ASP A 87 12.122 -8.917 -10.447 1.00 55.14 H new ATOM 1337 N ASP A 88 12.191 -10.141 -7.009 1.00 2.42 N ATOM 1338 CA ASP A 88 12.863 -9.520 -5.873 1.00 40.20 C ATOM 1339 C ASP A 88 14.369 -9.452 -6.104 1.00 5.44 C ATOM 1340 O ASP A 88 15.048 -8.566 -5.584 1.00 14.34 O ATOM 1341 CB ASP A 88 12.566 -10.297 -4.590 1.00 34.31 C ATOM 1342 CG ASP A 88 13.277 -11.635 -4.546 1.00 30.42 C ATOM 1343 OD1 ASP A 88 12.826 -12.570 -5.241 1.00 3.41 O ATOM 1344 OD2 ASP A 88 14.284 -11.749 -3.815 1.00 51.34 O ATOM 0 H ASP A 88 12.154 -11.160 -6.972 1.00 2.42 H new ATOM 0 HA ASP A 88 12.483 -8.504 -5.769 1.00 40.20 H new ATOM 0 HB2 ASP A 88 12.867 -9.700 -3.729 1.00 34.31 H new ATOM 0 HB3 ASP A 88 11.491 -10.457 -4.506 1.00 34.31 H new ATOM 1349 N SER A 89 14.887 -10.394 -6.886 1.00 15.13 N ATOM 1350 CA SER A 89 16.314 -10.444 -7.181 1.00 54.21 C ATOM 1351 C SER A 89 16.664 -9.500 -8.327 1.00 44.13 C ATOM 1352 O SER A 89 16.037 -9.573 -9.383 1.00 21.42 O ATOM 1353 CB SER A 89 16.733 -11.872 -7.535 1.00 0.10 C ATOM 1354 OG SER A 89 18.125 -11.946 -7.790 1.00 21.34 O ATOM 0 H SER A 89 14.339 -11.133 -7.327 1.00 15.13 H new ATOM 0 HA SER A 89 16.856 -10.124 -6.291 1.00 54.21 H new ATOM 0 HB2 SER A 89 16.474 -12.544 -6.717 1.00 0.10 H new ATOM 0 HB3 SER A 89 16.181 -12.210 -8.412 1.00 0.10 H new ATOM 0 HG SER A 89 18.368 -12.869 -8.012 1.00 21.34 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -7.943 1.537 -3.421 1.00 14.40 CA