USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 682 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 58 GLN : amide:sc= 1.01 K(o=2.3,f=-1.2) USER MOD Set 1.2: A 62 TYR OH : rot 45:sc= 1.27 USER MOD Single : A 1 MET CE :methyl 135:sc= -0.122 (180deg=-0.937) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ -120:sc= 0.121 (180deg=0) USER MOD Single : A 10 SER OG : rot 86:sc= 0.773 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 129:sc= 0.81 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 170:sc= -0.208 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 2:sc= 1.62 USER MOD Single : A 43 SER OG : rot 14:sc= 0.368! USER MOD Single : A 46 THR OG1 : rot -130:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0694 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.19) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0744 X(o=-0.074,f=-0.074) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 52.903 7.942 31.605 1.00 0.00 N ATOM 2 CA GLY A -3 53.573 7.660 30.304 1.00 0.00 C ATOM 3 C GLY A -3 53.276 8.793 29.320 1.00 0.00 C ATOM 4 O GLY A -3 52.569 9.731 29.639 1.00 0.00 O ATOM 0 H1 GLY A -3 53.618 8.003 32.358 1.00 0.00 H new ATOM 0 H2 GLY A -3 52.389 8.844 31.542 1.00 0.00 H new ATOM 0 H3 GLY A -3 52.234 7.176 31.824 1.00 0.00 H new ATOM 0 HA2 GLY A -3 54.649 7.564 30.450 1.00 0.00 H new ATOM 0 HA3 GLY A -3 53.220 6.711 29.900 1.00 0.00 H new ATOM 10 N ALA A -2 53.813 8.710 28.125 1.00 0.00 N ATOM 11 CA ALA A -2 53.568 9.776 27.109 1.00 0.00 C ATOM 12 C ALA A -2 53.460 9.160 25.711 1.00 0.00 C ATOM 13 O ALA A -2 54.046 8.129 25.433 1.00 0.00 O ATOM 14 CB ALA A -2 54.788 10.694 27.197 1.00 0.00 C ATOM 0 H ALA A -2 54.412 7.946 27.812 1.00 0.00 H new ATOM 0 HA ALA A -2 52.638 10.314 27.291 1.00 0.00 H new ATOM 0 HB1 ALA A -2 54.684 11.507 26.478 1.00 0.00 H new ATOM 0 HB2 ALA A -2 54.861 11.107 28.203 1.00 0.00 H new ATOM 0 HB3 ALA A -2 55.689 10.124 26.972 1.00 0.00 H new ATOM 20 N MET A -1 52.714 9.786 24.833 1.00 0.00 N ATOM 21 CA MET A -1 52.560 9.246 23.446 1.00 0.00 C ATOM 22 C MET A -1 53.399 10.065 22.457 1.00 0.00 C ATOM 23 O MET A -1 53.056 10.179 21.293 1.00 0.00 O ATOM 24 CB MET A -1 51.070 9.388 23.129 1.00 0.00 C ATOM 25 CG MET A -1 50.264 8.445 24.025 1.00 0.00 C ATOM 26 SD MET A -1 48.514 8.531 23.569 1.00 0.00 S ATOM 27 CE MET A -1 47.876 7.519 24.928 1.00 0.00 C ATOM 0 H MET A -1 52.204 10.650 25.018 1.00 0.00 H new ATOM 0 HA MET A -1 52.899 8.213 23.368 1.00 0.00 H new ATOM 0 HB2 MET A -1 50.751 10.418 23.287 1.00 0.00 H new ATOM 0 HB3 MET A -1 50.887 9.155 22.080 1.00 0.00 H new ATOM 0 HG2 MET A -1 50.629 7.424 23.918 1.00 0.00 H new ATOM 0 HG3 MET A -1 50.392 8.722 25.071 1.00 0.00 H new ATOM 0 HE1 MET A -1 46.792 7.437 24.843 1.00 0.00 H new ATOM 0 HE2 MET A -1 48.320 6.525 24.881 1.00 0.00 H new ATOM 0 HE3 MET A -1 48.131 7.985 25.880 1.00 0.00 H new ATOM 37 N ALA A 0 54.491 10.633 22.910 1.00 0.00 N ATOM 38 CA ALA A 0 55.346 11.465 22.003 1.00 0.00 C ATOM 39 C ALA A 0 56.031 10.578 20.959 1.00 0.00 C ATOM 40 O ALA A 0 56.229 10.981 19.827 1.00 0.00 O ATOM 41 CB ALA A 0 56.389 12.121 22.913 1.00 0.00 C ATOM 0 H ALA A 0 54.828 10.557 23.870 1.00 0.00 H new ATOM 0 HA ALA A 0 54.760 12.206 21.459 1.00 0.00 H new ATOM 0 HB1 ALA A 0 57.051 12.747 22.315 1.00 0.00 H new ATOM 0 HB2 ALA A 0 55.886 12.735 23.660 1.00 0.00 H new ATOM 0 HB3 ALA A 0 56.973 11.348 23.413 1.00 0.00 H new ATOM 47 N MET A 1 56.391 9.374 21.334 1.00 0.00 N ATOM 48 CA MET A 1 57.086 8.456 20.378 1.00 0.00 C ATOM 49 C MET A 1 56.389 7.093 20.348 1.00 0.00 C ATOM 50 O MET A 1 55.589 6.778 21.210 1.00 0.00 O ATOM 51 CB MET A 1 58.509 8.318 20.923 1.00 0.00 C ATOM 52 CG MET A 1 59.238 9.658 20.802 1.00 0.00 C ATOM 53 SD MET A 1 60.976 9.444 21.257 1.00 0.00 S ATOM 54 CE MET A 1 61.491 8.545 19.773 1.00 0.00 C ATOM 0 H MET A 1 56.233 8.987 22.264 1.00 0.00 H new ATOM 0 HA MET A 1 57.075 8.840 19.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 58.481 8.001 21.965 1.00 0.00 H new ATOM 0 HB3 MET A 1 59.048 7.548 20.370 1.00 0.00 H new ATOM 0 HG2 MET A 1 59.162 10.034 19.782 1.00 0.00 H new ATOM 0 HG3 MET A 1 58.770 10.398 21.451 1.00 0.00 H new ATOM 0 HE1 MET A 1 62.434 8.953 19.410 1.00 0.00 H new ATOM 0 HE2 MET A 1 61.620 7.490 20.013 1.00 0.00 H new ATOM 0 HE3 MET A 1 60.729 8.650 19.001 1.00 0.00 H new ATOM 64 N SER A 2 56.691 6.286 19.360 1.00 0.00 N ATOM 65 CA SER A 2 56.061 4.932 19.262 1.00 0.00 C ATOM 66 C SER A 2 57.133 3.844 19.367 1.00 0.00 C ATOM 67 O SER A 2 58.278 4.055 19.010 1.00 0.00 O ATOM 68 CB SER A 2 55.401 4.903 17.885 1.00 0.00 C ATOM 69 OG SER A 2 54.460 5.964 17.793 1.00 0.00 O ATOM 0 H SER A 2 57.350 6.508 18.614 1.00 0.00 H new ATOM 0 HA SER A 2 55.343 4.750 20.062 1.00 0.00 H new ATOM 0 HB2 SER A 2 56.156 5.002 17.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 54.904 3.946 17.727 1.00 0.00 H new ATOM 0 HG SER A 2 54.036 5.949 16.910 1.00 0.00 H new ATOM 75 N GLY A 3 56.768 2.682 19.856 1.00 0.00 N ATOM 76 CA GLY A 3 57.759 1.574 20.004 1.00 0.00 C ATOM 77 C GLY A 3 57.608 0.584 18.846 1.00 0.00 C ATOM 78 O GLY A 3 57.791 -0.607 19.013 1.00 0.00 O ATOM 0 H GLY A 3 55.821 2.455 20.160 1.00 0.00 H new ATOM 0 HA2 GLY A 3 58.771 1.979 20.019 1.00 0.00 H new ATOM 0 HA3 GLY A 3 57.607 1.062 20.954 1.00 0.00 H new ATOM 82 N GLY A 4 57.276 1.071 17.672 1.00 0.00 N ATOM 83 CA GLY A 4 57.122 0.170 16.489 1.00 0.00 C ATOM 84 C GLY A 4 58.184 0.513 15.443 1.00 0.00 C ATOM 85 O GLY A 4 57.929 0.474 14.254 1.00 0.00 O ATOM 0 H GLY A 4 57.105 2.059 17.484 1.00 0.00 H new ATOM 0 HA2 GLY A 4 57.222 -0.871 16.796 1.00 0.00 H new ATOM 0 HA3 GLY A 4 56.126 0.282 16.061 1.00 0.00 H new ATOM 89 N LEU A 5 59.375 0.846 15.882 1.00 0.00 N ATOM 90 CA LEU A 5 60.461 1.214 14.917 1.00 0.00 C ATOM 91 C LEU A 5 61.059 -0.050 14.270 1.00 0.00 C ATOM 92 O LEU A 5 61.032 -1.110 14.868 1.00 0.00 O ATOM 93 CB LEU A 5 61.516 1.968 15.748 1.00 0.00 C ATOM 94 CG LEU A 5 62.120 1.052 16.829 1.00 0.00 C ATOM 95 CD1 LEU A 5 63.367 0.353 16.277 1.00 0.00 C ATOM 96 CD2 LEU A 5 62.507 1.888 18.052 1.00 0.00 C ATOM 0 H LEU A 5 59.642 0.879 16.866 1.00 0.00 H new ATOM 0 HA LEU A 5 60.088 1.831 14.100 1.00 0.00 H new ATOM 0 HB2 LEU A 5 62.306 2.335 15.093 1.00 0.00 H new ATOM 0 HB3 LEU A 5 61.060 2.840 16.217 1.00 0.00 H new ATOM 0 HG LEU A 5 61.382 0.303 17.117 1.00 0.00 H new ATOM 0 HD11 LEU A 5 63.791 -0.294 17.045 1.00 0.00 H new ATOM 0 HD12 LEU A 5 63.094 -0.246 15.408 1.00 0.00 H new ATOM 0 HD13 LEU A 5 64.104 1.101 15.985 1.00 0.00 H new ATOM 0 HD21 LEU A 5 62.934 1.239 18.816 1.00 0.00 H new ATOM 0 HD22 LEU A 5 63.242 2.639 17.762 1.00 0.00 H new ATOM 0 HD23 LEU A 5 61.621 2.382 18.450 1.00 0.00 H new ATOM 108 N PRO A 6 61.580 0.097 13.065 1.00 0.00 N ATOM 109 CA PRO A 6 62.180 -1.062 12.352 1.00 0.00 C ATOM 110 C PRO A 6 63.468 -1.511 13.052 1.00 0.00 C ATOM 111 O PRO A 6 64.113 -0.737 13.735 1.00 0.00 O ATOM 112 CB PRO A 6 62.481 -0.521 10.953 1.00 0.00 C ATOM 113 CG PRO A 6 62.550 0.963 11.108 1.00 0.00 C ATOM 114 CD PRO A 6 61.661 1.332 12.265 1.00 0.00 C ATOM 0 HA PRO A 6 61.524 -1.932 12.330 1.00 0.00 H new ATOM 0 HB2 PRO A 6 63.421 -0.920 10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 6 61.702 -0.806 10.245 1.00 0.00 H new ATOM 0 HG2 PRO A 6 63.575 1.283 11.293 1.00 0.00 H new ATOM 0 HG3 PRO A 6 62.221 1.461 10.196 1.00 0.00 H new ATOM 0 HD2 PRO A 6 62.081 2.155 12.844 1.00 0.00 H new ATOM 0 HD3 PRO A 6 60.676 1.652 11.925 1.00 0.00 H new ATOM 122 N GLU A 7 63.843 -2.758 12.883 1.00 0.00 N ATOM 123 CA GLU A 7 65.080 -3.277 13.557 1.00 0.00 C ATOM 124 C GLU A 7 66.324 -2.560 13.019 1.00 0.00 C ATOM 125 O GLU A 7 66.550 -2.507 11.825 1.00 0.00 O ATOM 126 CB GLU A 7 65.138 -4.767 13.206 1.00 0.00 C ATOM 127 CG GLU A 7 63.959 -5.494 13.856 1.00 0.00 C ATOM 128 CD GLU A 7 64.060 -6.993 13.567 1.00 0.00 C ATOM 129 OE1 GLU A 7 63.762 -7.381 12.450 1.00 0.00 O ATOM 130 OE2 GLU A 7 64.434 -7.726 14.467 1.00 0.00 O ATOM 0 H GLU A 7 63.347 -3.439 12.308 1.00 0.00 H new ATOM 0 HA GLU A 7 65.054 -3.110 14.634 1.00 0.00 H new ATOM 0 HB2 GLU A 7 65.107 -4.898 12.124 1.00 0.00 H new ATOM 0 HB3 GLU A 7 66.078 -5.196 13.552 1.00 0.00 H new ATOM 0 HG2 GLU A 7 63.959 -5.320 14.932 1.00 0.00 H new ATOM 0 HG3 GLU A 7 63.018 -5.101 13.470 1.00 0.00 H new ATOM 137 N LEU A 8 67.128 -2.011 13.899 1.00 0.00 N ATOM 138 CA LEU A 8 68.362 -1.282 13.454 1.00 0.00 C ATOM 139 C LEU A 8 69.348 -2.244 12.782 1.00 0.00 C ATOM 140 O LEU A 8 69.454 -3.397 13.158 1.00 0.00 O ATOM 141 CB LEU A 8 68.979 -0.711 14.737 1.00 0.00 C ATOM 142 CG LEU A 8 68.033 0.323 15.352 1.00 0.00 C ATOM 143 CD1 LEU A 8 68.517 0.688 16.756 1.00 0.00 C ATOM 144 CD2 LEU A 8 68.015 1.582 14.479 1.00 0.00 C ATOM 0 H LEU A 8 66.984 -2.036 14.908 1.00 0.00 H new ATOM 0 HA LEU A 8 68.128 -0.505 12.726 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.167 -1.514 15.449 1.00 0.00 H new ATOM 0 HB3 LEU A 8 69.941 -0.250 14.515 1.00 0.00 H new ATOM 0 HG LEU A 8 67.028 -0.096 15.410 1.00 0.00 H new ATOM 0 HD11 LEU A 8 67.843 1.424 17.193 1.00 0.00 H new ATOM 0 HD12 LEU A 8 68.532 -0.206 17.380 1.00 0.00 H new ATOM 0 HD13 LEU A 8 69.522 1.106 16.697 1.00 0.00 H new ATOM 0 HD21 LEU A 8 67.341 2.319 14.917 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.020 1.999 14.421 1.00 0.00 H new ATOM 0 HD23 LEU A 8 67.670 1.325 13.477 1.00 0.00 H new ATOM 156 N GLY A 9 70.069 -1.773 11.792 1.00 0.00 N ATOM 157 CA GLY A 9 71.110 -2.623 11.135 1.00 0.00 C ATOM 158 C GLY A 9 70.499 -3.571 10.091 1.00 0.00 C ATOM 159 O GLY A 9 71.214 -4.309 9.437 1.00 0.00 O ATOM 0 H GLY A 9 69.980 -0.832 11.410 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.851 -1.984 10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.634 -3.206 11.892 1.00 0.00 H new ATOM 163 N SER A 10 69.193 -3.564 9.923 1.00 0.00 N ATOM 164 CA SER A 10 68.554 -4.476 8.912 1.00 0.00 C ATOM 165 C SER A 10 69.040 -4.131 7.501 1.00 0.00 C ATOM 166 O SER A 10 69.170 -2.973 7.151 1.00 0.00 O ATOM 167 CB SER A 10 67.050 -4.222 9.031 1.00 0.00 C ATOM 168 OG SER A 10 66.615 -4.579 10.336 1.00 0.00 O ATOM 0 H SER A 10 68.545 -2.969 10.439 1.00 0.00 H new ATOM 0 HA SER A 10 68.806 -5.521 9.091 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.830 -3.172 8.837 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.511 -4.804 8.284 1.00 0.00 H new ATOM 0 HG SER A 10 66.745 -3.821 10.943 1.00 0.00 H new ATOM 174 N LYS A 11 69.310 -5.128 6.693 1.00 0.00 N ATOM 175 CA LYS A 11 69.749 -4.862 5.286 1.00 0.00 C ATOM 176 C LYS A 11 68.533 -4.594 4.387 1.00 0.00 C ATOM 177 O LYS A 11 67.599 -5.377 4.343 1.00 0.00 O ATOM 178 CB LYS A 11 70.513 -6.125 4.843 1.00 0.00 C ATOM 179 CG LYS A 11 69.571 -7.335 4.749 1.00 0.00 C ATOM 180 CD LYS A 11 70.394 -8.611 4.556 1.00 0.00 C ATOM 181 CE LYS A 11 70.971 -8.637 3.139 1.00 0.00 C ATOM 182 NZ LYS A 11 71.649 -9.959 3.024 1.00 0.00 N ATOM 0 H LYS A 11 69.246 -6.114 6.946 1.00 0.00 H new ATOM 0 HA LYS A 11 70.382 -3.978 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 11 70.982 -5.949 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.313 -6.337 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 11 68.969 -7.412 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 11 68.879 -7.207 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.200 -8.651 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 11 69.769 -9.488 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 11 70.186 -8.530 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 11 71.673 -7.818 2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 72.070 -10.052 2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 72.396 -10.030 3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 70.954 -10.719 3.170 1.00 0.00 H new ATOM 196 N ILE A 12 68.541 -3.493 3.675 1.00 0.00 N ATOM 197 CA ILE A 12 67.388 -3.162 2.780 1.00 0.00 C ATOM 198 C ILE A 12 67.868 -3.024 1.329 1.00 0.00 C ATOM 199 O ILE A 12 68.951 -2.531 1.068 1.00 0.00 O ATOM 200 CB ILE A 12 66.832 -1.825 3.300 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.381 -1.987 4.760 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.629 -1.397 2.449 1.00 0.00 C ATOM 203 CD1 ILE A 12 66.034 -0.617 5.347 1.00 0.00 C ATOM 0 H ILE A 12 69.297 -2.809 3.675 1.00 0.00 H new ATOM 0 HA ILE A 12 66.626 -3.941 2.790 1.00 0.00 H new ATOM 0 HB ILE A 12 67.613 -1.067 3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.514 -2.646 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.173 -2.455 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.239 -0.450 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.941 -1.278 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.851 -2.158 2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.715 -0.735 6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.912 0.028 5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.228 -0.167 4.768 1.00 0.00 H new ATOM 215 N SER A 13 67.058 -3.462 0.396 1.00 0.00 N ATOM 216 CA SER A 13 67.374 -3.267 -1.049 1.00 0.00 C ATOM 217 C SER A 13 66.519 -2.126 -1.606 1.00 0.00 C ATOM 218 O SER A 13 65.341 -2.031 -1.318 1.00 0.00 O ATOM 219 CB SER A 13 67.013 -4.591 -1.720 1.00 0.00 C ATOM 220 OG SER A 13 67.392 -4.543 -3.089 1.00 0.00 O ATOM 0 H SER A 13 66.182 -3.952 0.579 1.00 0.00 H new ATOM 0 HA SER A 13 68.418 -3.006 -1.221 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.520 -5.416 -1.219 1.00 0.00 H new ATOM 0 HB3 SER A 13 65.942 -4.776 -1.634 1.00 0.00 H new ATOM 0 HG SER A 13 67.163 -5.392 -3.522 1.00 0.00 H new ATOM 226 N LEU A 14 67.104 -1.266 -2.400 1.00 0.00 N ATOM 227 CA LEU A 14 66.418 0.004 -2.783 1.00 0.00 C ATOM 228 C LEU A 14 66.563 0.255 -4.290 1.00 0.00 C ATOM 229 O LEU A 14 67.658 0.268 -4.815 1.00 0.00 O ATOM 230 CB LEU A 14 67.153 1.076 -1.977 1.00 0.00 C ATOM 231 CG LEU A 14 66.300 2.341 -1.871 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.080 2.071 -0.988 1.00 0.00 C ATOM 233 CD2 LEU A 14 67.139 3.458 -1.244 1.00 0.00 C ATOM 0 H LEU A 14 68.033 -1.390 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 14 65.348 -0.011 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.381 0.698 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.105 1.310 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 14 65.966 2.638 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.476 2.975 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.484 1.270 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.410 1.775 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.538 4.364 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.467 3.152 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 14 68.010 3.654 -1.870 1.00 0.00 H new ATOM 245 N ILE A 15 65.466 0.454 -4.982 1.00 0.00 N ATOM 246 CA ILE A 15 65.530 0.681 -6.463 1.00 0.00 C ATOM 247 C ILE A 15 65.247 2.158 -6.772 1.00 0.00 C ATOM 248 O ILE A 15 64.172 2.665 -6.483 1.00 0.00 O ATOM 249 CB ILE A 15 64.436 -0.222 -7.059 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.718 -1.689 -6.701 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.419 -0.077 -8.586 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.492 -2.542 -7.035 1.00 0.00 C ATOM 0 H ILE A 15 64.527 0.469 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 15 66.510 0.447 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 15 63.471 0.077 -6.649 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.586 -2.049 -7.254 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.957 -1.776 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.643 -0.718 -9.004 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.214 0.960 -8.851 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.388 -0.370 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.693 -3.583 -6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.635 -2.187 -6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.274 -2.464 -8.100 1.00 0.00 H new ATOM 264 N SER A 16 66.208 2.841 -7.356 1.00 0.00 N ATOM 265 CA SER A 16 66.056 4.308 -7.623 1.00 0.00 C ATOM 266 C SER A 16 65.495 4.564 -9.030 1.00 0.00 C ATOM 267 O SER A 16 65.615 3.732 -9.915 1.00 0.00 O ATOM 268 CB SER A 16 67.473 4.871 -7.515 1.00 0.00 C ATOM 269 OG SER A 16 67.972 4.641 -6.204 1.00 0.00 O ATOM 0 H SER A 16 67.096 2.441 -7.660 1.00 0.00 H new ATOM 0 HA SER A 16 65.361 4.773 -6.924 1.00 0.00 H new ATOM 0 HB2 SER A 16 68.122 4.397 -8.252 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.470 5.939 -7.733 1.00 0.00 H new ATOM 0 HG SER A 16 68.856 4.221 -6.259 1.00 0.00 H new ATOM 275 N LYS A 17 64.902 5.725 -9.232 1.00 0.00 N ATOM 276 CA LYS A 17 64.155 6.026 -10.507 1.00 0.00 C ATOM 277 C LYS A 17 65.008 5.789 -11.765 1.00 0.00 C ATOM 278 O LYS A 17 64.482 5.732 -12.862 1.00 0.00 O ATOM 279 CB LYS A 17 63.783 7.510 -10.406 1.00 0.00 C ATOM 280 CG LYS A 17 62.799 7.872 -11.522 1.00 0.00 C ATOM 281 CD LYS A 17 62.480 9.368 -11.456 1.00 0.00 C ATOM 282 CE LYS A 17 61.374 9.699 -12.460 1.00 0.00 C ATOM 283 NZ LYS A 17 60.810 10.997 -11.997 1.00 0.00 N ATOM 0 H LYS A 17 64.904 6.489 -8.556 1.00 0.00 H new ATOM 0 HA LYS A 17 63.291 5.369 -10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.337 7.718 -9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.679 8.126 -10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.227 7.623 -12.493 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.884 7.289 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.164 9.639 -10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.374 9.951 -11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.771 9.779 -13.472 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.611 8.921 -12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 60.044 11.291 -12.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 60.434 10.888 -11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.557 11.720 -11.997 1.00 0.00 H new ATOM 297 N ALA A 18 66.305 5.651 -11.626 1.00 0.00 N ATOM 298 CA ALA A 18 67.167 5.390 -12.820 1.00 0.00 C ATOM 299 C ALA A 18 67.289 3.882 -13.076 1.00 0.00 C ATOM 300 O ALA A 18 68.203 3.436 -13.741 1.00 0.00 O ATOM 301 CB ALA A 18 68.533 5.983 -12.462 1.00 0.00 C ATOM 0 H ALA A 18 66.803 5.708 -10.738 1.00 0.00 H new ATOM 0 HA ALA A 18 66.753 5.831 -13.727 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.224 5.831 -13.291 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.427 7.051 -12.269 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.921 5.490 -11.571 1.00 0.00 H new ATOM 307 N ASP A 19 66.369 3.092 -12.550 1.00 0.00 N ATOM 308 CA ASP A 19 66.439 1.598 -12.697 1.00 0.00 C ATOM 309 C ASP A 19 67.778 1.084 -12.164 1.00 0.00 C ATOM 310 O ASP A 19 68.354 0.151 -12.693 1.00 0.00 O ATOM 311 CB ASP A 19 66.290 1.304 -14.197 1.00 0.00 C ATOM 312 CG ASP A 19 64.909 1.758 -14.678 1.00 0.00 C ATOM 313 OD1 ASP A 19 63.947 1.537 -13.958 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.836 2.319 -15.758 1.00 0.00 O ATOM 0 H ASP A 19 65.565 3.427 -12.020 1.00 0.00 H new ATOM 0 HA ASP A 19 65.655 1.098 -12.128 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.069 1.821 -14.758 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.418 0.238 -14.383 1.00 0.00 H new ATOM 319 N ILE A 20 68.269 1.697 -11.114 1.00 0.00 N ATOM 320 CA ILE A 20 69.565 1.245 -10.512 1.00 0.00 C ATOM 321 C ILE A 20 69.287 0.531 -9.191 1.00 0.00 C ATOM 322 O ILE A 20 68.365 0.879 -8.478 1.00 0.00 O ATOM 323 CB ILE A 20 70.397 2.514 -10.258 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.494 3.353 -11.543 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.806 2.101 -9.809 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.220 4.673 -11.256 1.00 0.00 C ATOM 0 H ILE A 20 67.829 2.490 -10.647 1.00 0.00 H new ATOM 0 HA ILE A 20 70.094 0.556 -11.170 1.00 0.00 H new ATOM 0 HB ILE A 20 69.916 3.113 -9.484 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.028 2.795 -12.312 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.496 3.555 -11.931 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.405 2.993 -9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.739 1.515 -8.893 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.276 1.502 -10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.284 5.260 -12.172 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.668 5.235 -10.502 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.225 4.463 -10.889 1.00 0.00 H new ATOM 338 N ARG A 21 70.077 -0.459 -8.860 1.00 0.00 N ATOM 339 CA ARG A 21 69.855 -1.194 -7.581 1.00 0.00 C ATOM 340 C ARG A 21 70.914 -0.790 -6.550 1.00 0.00 C ATOM 341 O ARG A 21 72.103 -0.970 -6.757 1.00 0.00 O ATOM 342 CB ARG A 21 69.988 -2.674 -7.943 1.00 0.00 C ATOM 343 CG ARG A 21 69.556 -3.534 -6.753 1.00 0.00 C ATOM 344 CD ARG A 21 69.761 -5.015 -7.088 1.00 0.00 C ATOM 345 NE ARG A 21 68.783 -5.314 -8.185 1.00 0.00 N ATOM 346 CZ ARG A 21 68.903 -6.390 -8.939 1.00 0.00 C ATOM 347 NH1 ARG A 21 69.879 -7.252 -8.762 1.00 0.00 N ATOM 348 NH2 ARG A 21 68.028 -6.607 -9.883 1.00 0.00 N ATOM 0 H ARG A 21 70.864 -0.788 -9.419 1.00 0.00 H new ATOM 0 HA ARG A 21 68.883 -0.972 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.372 -2.903 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.019 -2.901 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.135 -3.267 -5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.509 -3.346 -6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 21 70.784 -5.207 -7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 21 69.578 -5.644 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 21 68.008 -4.672 -8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 21 70.569 -7.098 -8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 21 69.947 -8.075 -9.360 1.00 0.00 H new ATOM 0 HH21 ARG A 21 67.263 -5.949 -10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 21 68.109 -7.435 -10.473 1.00 0.00 H new ATOM 362 N TYR A 22 70.478 -0.248 -5.442 1.00 0.00 N ATOM 363 CA TYR A 22 71.406 0.083 -4.323 1.00 0.00 C ATOM 364 C TYR A 22 71.085 -0.812 -3.125 1.00 0.00 C ATOM 365 O TYR A 22 69.962 -1.247 -2.962 1.00 0.00 O ATOM 366 CB TYR A 22 71.107 1.543 -3.976 1.00 0.00 C ATOM 367 CG TYR A 22 71.554 2.538 -5.023 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.854 3.097 -4.955 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.672 2.920 -6.066 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.272 4.037 -5.927 1.00 0.00 C ATOM 371 CE2 TYR A 22 71.092 3.861 -7.040 1.00 0.00 C ATOM 372 CZ TYR A 22 72.392 4.420 -6.969 1.00 0.00 C ATOM 373 OH TYR A 22 72.801 5.336 -7.916 1.00 0.00 O ATOM 0 H TYR A 22 69.500 -0.017 -5.264 1.00 0.00 H new ATOM 0 HA TYR A 22 72.453 -0.067 -4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.034 1.654 -3.821 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.592 1.786 -3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.526 2.806 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.681 2.494 -6.118 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.263 4.463 -5.874 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.422 4.151 -7.835 1.00 0.00 H new ATOM 0 HH TYR A 22 72.077 5.486 -8.560 1.00 0.00 H new ATOM 383 N GLU A 23 72.052 -1.088 -2.290 1.00 0.00 N ATOM 384 CA GLU A 23 71.767 -1.870 -1.048 1.00 0.00 C ATOM 385 C GLU A 23 72.606 -1.325 0.103 1.00 0.00 C ATOM 386 O GLU A 23 73.758 -0.984 -0.080 1.00 0.00 O ATOM 387 CB GLU A 23 72.181 -3.305 -1.382 1.00 0.00 C ATOM 388 CG GLU A 23 71.761 -4.240 -0.244 1.00 0.00 C ATOM 389 CD GLU A 23 72.289 -5.651 -0.518 1.00 0.00 C ATOM 390 OE1 GLU A 23 73.431 -5.767 -0.931 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.540 -6.591 -0.308 1.00 0.00 O ATOM 0 H GLU A 23 73.025 -0.807 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 23 70.722 -1.811 -0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.715 -3.620 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.260 -3.358 -1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.151 -3.873 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.675 -4.258 -0.156 1.00 0.00 H new ATOM 398 N GLY A 24 72.046 -1.245 1.285 1.00 0.00 N ATOM 399 CA GLY A 24 72.798 -0.629 2.422 1.00 0.00 C ATOM 400 C GLY A 24 72.103 -0.927 3.751 1.00 0.00 C ATOM 401 O GLY A 24 71.004 -1.449 3.788 1.00 0.00 O ATOM 0 H GLY A 24 71.108 -1.577 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.817 -1.016 2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.869 0.449 2.276 1.00 0.00 H new ATOM 405 N ARG A 25 72.749 -0.594 4.845 1.00 0.00 N ATOM 406 CA ARG A 25 72.145 -0.837 6.194 1.00 0.00 C ATOM 407 C ARG A 25 71.231 0.326 6.593 1.00 0.00 C ATOM 408 O ARG A 25 71.566 1.480 6.399 1.00 0.00 O ATOM 409 CB ARG A 25 73.335 -0.928 7.154 1.00 0.00 C ATOM 410 CG ARG A 25 74.162 -2.174 6.831 1.00 0.00 C ATOM 411 CD ARG A 25 75.306 -2.306 7.841 1.00 0.00 C ATOM 412 NE ARG A 25 76.186 -3.394 7.306 1.00 0.00 N ATOM 413 CZ ARG A 25 77.086 -3.988 8.068 1.00 0.00 C ATOM 414 NH1 ARG A 25 77.255 -3.650 9.326 1.00 0.00 N ATOM 415 NH2 ARG A 25 77.828 -4.933 7.557 1.00 0.00 N ATOM 0 H ARG A 25 73.673 -0.162 4.860 1.00 0.00 H new ATOM 0 HA ARG A 25 71.534 -1.740 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.955 -0.035 7.067 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.981 -0.971 8.184 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.530 -3.061 6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.562 -2.105 5.819 1.00 0.00 H new ATOM 0 HD2 ARG A 25 75.855 -1.369 7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 25 74.928 -2.558 8.832 1.00 0.00 H new ATOM 0 HE ARG A 25 76.088 -3.682 6.332 1.00 0.00 H new ATOM 0 HH11 ARG A 25 76.683 -2.912 9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 25 77.958 -4.126 9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 25 77.708 -5.204 6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 25 78.527 -5.401 8.134 1.00 0.00 H new ATOM 429 N LEU A 26 70.080 0.027 7.150 1.00 0.00 N ATOM 430 CA LEU A 26 69.175 1.114 7.652 1.00 0.00 C ATOM 431 C LEU A 26 69.814 1.848 8.836 1.00 0.00 C ATOM 432 O LEU A 26 70.090 1.254 9.864 1.00 0.00 O ATOM 433 CB LEU A 26 67.917 0.380 8.130 1.00 0.00 C ATOM 434 CG LEU A 26 66.827 1.396 8.487 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.183 1.935 7.207 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.761 0.716 9.350 1.00 0.00 C ATOM 0 H LEU A 26 69.728 -0.922 7.279 1.00 0.00 H new ATOM 0 HA LEU A 26 68.970 1.858 6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.559 -0.292 7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.152 -0.235 8.998 1.00 0.00 H new ATOM 0 HG LEU A 26 67.271 2.223 9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.409 2.657 7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 26 66.942 2.421 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.739 1.111 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.985 1.437 9.605 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.319 -0.112 8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 26 66.219 0.338 10.264 1.00 0.00 H new ATOM 448 N TYR A 27 70.052 3.129 8.698 1.00 0.00 N ATOM 449 CA TYR A 27 70.611 3.918 9.838 1.00 0.00 C ATOM 450 C TYR A 27 69.498 4.703 10.539 1.00 0.00 C ATOM 451 O TYR A 27 69.363 4.650 11.747 1.00 0.00 O ATOM 452 CB TYR A 27 71.623 4.872 9.206 1.00 0.00 C ATOM 453 CG TYR A 27 72.433 5.645 10.222 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.117 4.956 11.254 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.504 7.056 10.145 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.873 5.680 12.208 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.261 7.780 11.099 1.00 0.00 C ATOM 458 CZ TYR A 27 73.944 7.092 12.131 1.00 0.00 C ATOM 459 OH TYR A 27 74.680 7.798 13.061 1.00 0.00 O ATOM 0 H TYR A 27 69.883 3.662 7.845 1.00 0.00 H new ATOM 0 HA TYR A 27 71.071 3.279 10.592 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.300 4.302 8.569 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.095 5.575 8.562 1.00 0.00 H new ATOM 0 HD1 TYR A 27 73.062 3.879 11.313 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.981 7.581 9.359 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.395 5.155 12.994 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.317 8.857 11.039 1.00 0.00 H new ATOM 0 HH TYR A 27 74.624 8.756 12.863 1.00 0.00 H new ATOM 469 N THR A 28 68.701 5.425 9.786 1.00 0.00 N ATOM 470 CA THR A 28 67.606 6.241 10.401 1.00 0.00 C ATOM 471 C THR A 28 66.467 6.440 9.396 1.00 0.00 C ATOM 472 O THR A 28 66.675 6.413 8.198 1.00 0.00 O ATOM 473 CB THR A 28 68.244 7.590 10.754 1.00 0.00 C ATOM 474 OG1 THR A 28 68.954 8.092 9.626 1.00 0.00 O ATOM 475 CG2 THR A 28 69.201 7.420 11.936 1.00 0.00 C ATOM 0 H THR A 28 68.762 5.484 8.770 1.00 0.00 H new ATOM 0 HA THR A 28 67.182 5.753 11.279 1.00 0.00 H new ATOM 0 HB THR A 28 67.461 8.296 11.030 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.360 8.955 9.852 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.651 8.382 12.181 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.650 7.046 12.799 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.985 6.710 11.671 1.00 0.00 H new ATOM 483 N VAL A 29 65.263 6.641 9.881 1.00 0.00 N ATOM 484 CA VAL A 29 64.095 6.829 8.966 1.00 0.00 C ATOM 485 C VAL A 29 63.137 7.885 9.542 1.00 0.00 C ATOM 486 O VAL A 29 62.968 7.988 10.743 1.00 0.00 O ATOM 487 CB VAL A 29 63.430 5.442 8.873 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.913 5.003 10.251 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.261 5.493 7.883 1.00 0.00 C ATOM 0 H VAL A 29 65.041 6.683 10.876 1.00 0.00 H new ATOM 0 HA VAL A 29 64.386 7.190 7.980 1.00 0.00 H new ATOM 0 HB VAL A 29 64.172 4.723 8.527 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.446 4.022 10.169 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.746 4.951 10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.180 5.725 10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.794 4.510 7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.527 6.223 8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.630 5.783 6.899 1.00 0.00 H new ATOM 499 N ASP A 30 62.516 8.667 8.690 1.00 0.00 N ATOM 500 CA ASP A 30 61.531 9.683 9.168 1.00 0.00 C ATOM 501 C ASP A 30 60.215 9.531 8.388 1.00 0.00 C ATOM 502 O ASP A 30 60.123 9.994 7.266 1.00 0.00 O ATOM 503 CB ASP A 30 62.182 11.034 8.868 1.00 0.00 C ATOM 504 CG ASP A 30 61.552 12.112 9.752 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.346 12.281 9.677 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.286 12.749 10.489 1.00 0.00 O ATOM 0 H ASP A 30 62.652 8.643 7.679 1.00 0.00 H new ATOM 0 HA ASP A 30 61.294 9.575 10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.255 10.981 9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.049 11.288 7.816 1.00 0.00 H new ATOM 511 N PRO A 31 59.233 8.885 8.996 1.00 0.00 N ATOM 512 CA PRO A 31 57.959 8.594 8.282 1.00 0.00 C ATOM 513 C PRO A 31 57.252 9.895 7.881 1.00 0.00 C ATOM 514 O PRO A 31 56.709 10.005 6.798 1.00 0.00 O ATOM 515 CB PRO A 31 57.124 7.810 9.298 1.00 0.00 C ATOM 516 CG PRO A 31 57.755 8.077 10.627 1.00 0.00 C ATOM 517 CD PRO A 31 59.207 8.374 10.377 1.00 0.00 C ATOM 0 HA PRO A 31 58.117 8.037 7.358 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.084 8.136 9.285 1.00 0.00 H new ATOM 0 HB3 PRO A 31 57.127 6.744 9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.270 8.918 11.121 1.00 0.00 H new ATOM 0 HG3 PRO A 31 57.646 7.215 11.285 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.591 9.111 11.083 1.00 0.00 H new ATOM 0 HD3 PRO A 31 59.821 7.480 10.484 1.00 0.00 H new ATOM 525 N GLN A 32 57.271 10.884 8.738 1.00 0.00 N ATOM 526 CA GLN A 32 56.454 12.112 8.484 1.00 0.00 C ATOM 527 C GLN A 32 57.178 13.033 7.495 1.00 0.00 C ATOM 528 O GLN A 32 56.555 13.813 6.799 1.00 0.00 O ATOM 529 CB GLN A 32 56.285 12.790 9.846 1.00 0.00 C ATOM 530 CG GLN A 32 55.275 13.933 9.728 1.00 0.00 C ATOM 531 CD GLN A 32 55.202 14.689 11.056 1.00 0.00 C ATOM 532 OE1 GLN A 32 56.183 15.250 11.504 1.00 0.00 O ATOM 533 NE2 GLN A 32 54.074 14.728 11.710 1.00 0.00 N ATOM 0 H GLN A 32 57.815 10.896 9.601 1.00 0.00 H new ATOM 0 HA GLN A 32 55.486 11.874 8.042 1.00 0.00 H new ATOM 0 HB2 GLN A 32 55.944 12.065 10.585 1.00 0.00 H new ATOM 0 HB3 GLN A 32 57.244 13.173 10.194 1.00 0.00 H new ATOM 0 HG2 GLN A 32 55.569 14.611 8.927 1.00 0.00 H new ATOM 0 HG3 GLN A 32 54.293 13.539 9.467 1.00 0.00 H new ATOM 0 HE21 GLN A 32 53.250 14.258 11.335 1.00 0.00 H new ATOM 0 HE22 GLN A 32 54.016 15.229 12.597 1.00 0.00 H new ATOM 542 N GLU A 33 58.485 12.949 7.429 1.00 0.00 N ATOM 543 CA GLU A 33 59.237 13.711 6.384 1.00 0.00 C ATOM 544 C GLU A 33 59.343 12.905 5.075 1.00 0.00 C ATOM 545 O GLU A 33 59.952 13.358 4.123 1.00 0.00 O ATOM 546 CB GLU A 33 60.628 13.944 6.979 1.00 0.00 C ATOM 547 CG GLU A 33 60.520 14.889 8.179 1.00 0.00 C ATOM 548 CD GLU A 33 61.918 15.190 8.727 1.00 0.00 C ATOM 549 OE1 GLU A 33 62.821 15.378 7.927 1.00 0.00 O ATOM 550 OE2 GLU A 33 62.061 15.230 9.938 1.00 0.00 O ATOM 0 H GLU A 33 59.063 12.386 8.053 1.00 0.00 H new ATOM 0 HA GLU A 33 58.734 14.644 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.066 12.995 7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.290 14.370 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 33 60.028 15.815 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 33 59.904 14.437 8.956 1.00 0.00 H new ATOM 557 N CYS A 34 58.759 11.717 5.012 1.00 0.00 N ATOM 558 CA CYS A 34 58.884 10.850 3.787 1.00 0.00 C ATOM 559 C CYS A 34 60.351 10.716 3.345 1.00 0.00 C ATOM 560 O CYS A 34 60.652 10.702 2.164 1.00 0.00 O ATOM 561 CB CYS A 34 58.059 11.558 2.707 1.00 0.00 C ATOM 562 SG CYS A 34 56.298 11.403 3.096 1.00 0.00 S ATOM 0 H CYS A 34 58.199 11.313 5.763 1.00 0.00 H new ATOM 0 HA CYS A 34 58.530 9.837 3.977 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.339 12.610 2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.267 11.121 1.730 1.00 0.00 H new ATOM 0 HG CYS A 34 55.597 12.005 2.182 1.00 0.00 H new ATOM 568 N THR A 35 61.263 10.614 4.285 1.00 0.00 N ATOM 569 CA THR A 35 62.715 10.598 3.925 1.00 0.00 C ATOM 570 C THR A 35 63.446 9.518 4.722 1.00 0.00 C ATOM 571 O THR A 35 63.031 9.149 5.803 1.00 0.00 O ATOM 572 CB THR A 35 63.240 11.987 4.296 1.00 0.00 C ATOM 573 OG1 THR A 35 62.740 12.361 5.574 1.00 0.00 O ATOM 574 CG2 THR A 35 62.788 13.007 3.248 1.00 0.00 C ATOM 0 H THR A 35 61.063 10.541 5.283 1.00 0.00 H new ATOM 0 HA THR A 35 62.872 10.376 2.870 1.00 0.00 H new ATOM 0 HB THR A 35 64.329 11.963 4.327 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.199 13.170 5.881 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.164 13.995 3.516 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.179 12.723 2.271 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.699 13.031 3.210 1.00 0.00 H new ATOM 582 N ILE A 36 64.532 9.013 4.193 1.00 0.00 N ATOM 583 CA ILE A 36 65.325 7.983 4.933 1.00 0.00 C ATOM 584 C ILE A 36 66.824 8.198 4.698 1.00 0.00 C ATOM 585 O ILE A 36 67.221 8.871 3.766 1.00 0.00 O ATOM 586 CB ILE A 36 64.870 6.623 4.373 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.090 6.567 2.853 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.383 6.414 4.678 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.924 5.127 2.363 1.00 0.00 C ATOM 0 H ILE A 36 64.905 9.270 3.279 1.00 0.00 H new ATOM 0 HA ILE A 36 65.163 8.041 6.009 1.00 0.00 H new ATOM 0 HB ILE A 36 65.459 5.836 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.377 7.218 2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.086 6.933 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 36 63.062 5.451 4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.227 6.432 5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.801 7.210 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.080 5.089 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.655 4.488 2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.918 4.777 2.596 1.00 0.00 H new ATOM 601 N ALA A 37 67.652 7.630 5.537 1.00 0.00 N ATOM 602 CA ALA A 37 69.127 7.705 5.316 1.00 0.00 C ATOM 603 C ALA A 37 69.757 6.339 5.583 1.00 0.00 C ATOM 604 O ALA A 37 69.554 5.747 6.629 1.00 0.00 O ATOM 605 CB ALA A 37 69.640 8.743 6.316 1.00 0.00 C ATOM 0 H ALA A 37 67.368 7.115 6.370 1.00 0.00 H new ATOM 0 HA ALA A 37 69.379 7.984 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.720 8.849 6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.160 9.702 6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.406 8.418 7.330 1.00 0.00 H new ATOM 611 N LEU A 38 70.518 5.840 4.641 1.00 0.00 N ATOM 612 CA LEU A 38 71.128 4.486 4.791 1.00 0.00 C ATOM 613 C LEU A 38 72.636 4.622 4.987 1.00 0.00 C ATOM 614 O LEU A 38 73.255 5.520 4.448 1.00 0.00 O ATOM 615 CB LEU A 38 70.824 3.758 3.477 1.00 0.00 C ATOM 616 CG LEU A 38 69.310 3.589 3.311 1.00 0.00 C ATOM 617 CD1 LEU A 38 69.004 3.091 1.898 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.794 2.569 4.331 1.00 0.00 C ATOM 0 H LEU A 38 70.744 6.318 3.768 1.00 0.00 H new ATOM 0 HA LEU A 38 70.733 3.945 5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.230 4.322 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.310 2.782 3.471 1.00 0.00 H new ATOM 0 HG LEU A 38 68.819 4.548 3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.927 2.971 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.370 3.815 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.496 2.132 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.717 2.449 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.286 1.610 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 38 69.011 2.921 5.339 1.00 0.00 H new ATOM 630 N SER A 39 73.229 3.739 5.750 1.00 0.00 N ATOM 631 CA SER A 39 74.694 3.836 6.014 1.00 0.00 C ATOM 632 C SER A 39 75.385 2.589 5.472 1.00 0.00 C ATOM 633 O SER A 39 74.782 1.537 5.388 1.00 0.00 O ATOM 634 CB SER A 39 74.823 3.910 7.535 1.00 0.00 C ATOM 635 OG SER A 39 74.366 2.691 8.105 1.00 0.00 O ATOM 0 H SER A 39 72.760 2.954 6.202 1.00 0.00 H new ATOM 0 HA SER A 39 75.154 4.700 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.861 4.089 7.815 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.240 4.746 7.921 1.00 0.00 H new ATOM 0 HG SER A 39 74.449 2.735 9.080 1.00 0.00 H new ATOM 641 N SER A 40 76.645 2.701 5.106 1.00 0.00 N ATOM 642 CA SER A 40 77.355 1.578 4.401 1.00 0.00 C ATOM 643 C SER A 40 76.469 1.004 3.283 1.00 0.00 C ATOM 644 O SER A 40 75.763 0.028 3.468 1.00 0.00 O ATOM 645 CB SER A 40 77.665 0.532 5.482 1.00 0.00 C ATOM 646 OG SER A 40 76.487 -0.184 5.826 1.00 0.00 O ATOM 0 H SER A 40 77.217 3.530 5.267 1.00 0.00 H new ATOM 0 HA SER A 40 78.273 1.912 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.427 -0.159 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.072 1.022 6.366 1.00 0.00 H new ATOM 0 HG SER A 40 75.741 0.128 5.272 1.00 0.00 H new ATOM 652 N VAL A 41 76.501 1.628 2.132 1.00 0.00 N ATOM 653 CA VAL A 41 75.660 1.169 0.986 1.00 0.00 C ATOM 654 C VAL A 41 76.503 1.142 -0.300 1.00 0.00 C ATOM 655 O VAL A 41 77.437 1.910 -0.453 1.00 0.00 O ATOM 656 CB VAL A 41 74.509 2.190 0.904 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.061 3.579 0.575 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.506 1.774 -0.181 1.00 0.00 C ATOM 0 H VAL A 41 77.080 2.444 1.936 1.00 0.00 H new ATOM 0 HA VAL A 41 75.274 0.158 1.116 1.00 0.00 H new ATOM 0 HB VAL A 41 74.004 2.219 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.239 4.293 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.758 3.888 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.579 3.547 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.698 2.504 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 41 74.011 1.729 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.096 0.793 0.060 1.00 0.00 H new ATOM 668 N ARG A 42 76.177 0.267 -1.216 1.00 0.00 N ATOM 669 CA ARG A 42 76.928 0.196 -2.506 1.00 0.00 C ATOM 670 C ARG A 42 75.952 0.044 -3.678 1.00 0.00 C ATOM 671 O ARG A 42 74.861 -0.472 -3.518 1.00 0.00 O ATOM 672 CB ARG A 42 77.843 -1.034 -2.380 1.00 0.00 C ATOM 673 CG ARG A 42 77.011 -2.308 -2.172 1.00 0.00 C ATOM 674 CD ARG A 42 77.942 -3.479 -1.847 1.00 0.00 C ATOM 675 NE ARG A 42 77.057 -4.688 -1.795 1.00 0.00 N ATOM 676 CZ ARG A 42 77.555 -5.908 -1.868 1.00 0.00 C ATOM 677 NH1 ARG A 42 78.847 -6.121 -1.983 1.00 0.00 N ATOM 678 NH2 ARG A 42 76.743 -6.929 -1.823 1.00 0.00 N ATOM 0 H ARG A 42 75.417 -0.407 -1.125 1.00 0.00 H new ATOM 0 HA ARG A 42 77.506 1.100 -2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.453 -1.134 -3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.528 -0.900 -1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.298 -2.161 -1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.433 -2.528 -3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.714 -3.590 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.451 -3.324 -0.896 1.00 0.00 H new ATOM 0 HE ARG A 42 76.049 -4.565 -1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.493 -5.332 -2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 42 79.204 -7.075 -2.037 1.00 0.00 H new ATOM 0 HH21 ARG A 42 75.738 -6.778 -1.733 1.00 0.00 H new ATOM 0 HH22 ARG A 42 77.113 -7.878 -1.878 1.00 0.00 H new ATOM 692 N SER A 43 76.337 0.493 -4.848 1.00 0.00 N ATOM 693 CA SER A 43 75.468 0.320 -6.053 1.00 0.00 C ATOM 694 C SER A 43 76.070 -0.749 -6.968 1.00 0.00 C ATOM 695 O SER A 43 77.255 -0.734 -7.248 1.00 0.00 O ATOM 696 CB SER A 43 75.465 1.690 -6.736 1.00 0.00 C ATOM 697 OG SER A 43 76.730 1.921 -7.345 1.00 0.00 O ATOM 0 H SER A 43 77.220 0.974 -5.020 1.00 0.00 H new ATOM 0 HA SER A 43 74.457 -0.004 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.675 1.732 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.253 2.471 -6.006 1.00 0.00 H new ATOM 0 HG SER A 43 77.235 1.082 -7.379 1.00 0.00 H new ATOM 703 N PHE A 44 75.266 -1.675 -7.436 1.00 0.00 N ATOM 704 CA PHE A 44 75.835 -2.855 -8.161 1.00 0.00 C ATOM 705 C PHE A 44 76.104 -2.521 -9.632 1.00 0.00 C ATOM 706 O PHE A 44 77.097 -2.951 -10.192 1.00 0.00 O ATOM 707 CB PHE A 44 74.769 -3.948 -8.052 1.00 0.00 C ATOM 708 CG PHE A 44 74.654 -4.540 -6.667 1.00 0.00 C ATOM 709 CD1 PHE A 44 75.628 -5.458 -6.206 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.569 -4.180 -5.831 1.00 0.00 C ATOM 711 CE1 PHE A 44 75.519 -6.016 -4.909 1.00 0.00 C ATOM 712 CE2 PHE A 44 73.459 -4.737 -4.534 1.00 0.00 C ATOM 713 CZ PHE A 44 74.434 -5.655 -4.073 1.00 0.00 C ATOM 0 H PHE A 44 74.250 -1.665 -7.348 1.00 0.00 H new ATOM 0 HA PHE A 44 76.789 -3.164 -7.733 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.804 -3.534 -8.343 1.00 0.00 H new ATOM 0 HB3 PHE A 44 75.001 -4.743 -8.761 1.00 0.00 H new ATOM 0 HD1 PHE A 44 76.455 -5.733 -6.844 1.00 0.00 H new ATOM 0 HD2 PHE A 44 72.825 -3.480 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 44 76.262 -6.716 -4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 44 72.632 -4.462 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 44 74.350 -6.080 -3.084 1.00 0.00 H new ATOM 723 N GLY A 45 75.237 -1.763 -10.261 1.00 0.00 N ATOM 724 CA GLY A 45 75.494 -1.351 -11.671 1.00 0.00 C ATOM 725 C GLY A 45 74.229 -0.754 -12.283 1.00 0.00 C ATOM 726 O GLY A 45 73.163 -0.798 -11.696 1.00 0.00 O ATOM 0 H GLY A 45 74.367 -1.415 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.302 -0.620 -11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.819 -2.211 -12.256 1.00 0.00 H new ATOM 730 N THR A 46 74.345 -0.195 -13.461 1.00 0.00 N ATOM 731 CA THR A 46 73.130 0.203 -14.241 1.00 0.00 C ATOM 732 C THR A 46 73.067 -0.571 -15.573 1.00 0.00 C ATOM 733 O THR A 46 72.209 -0.321 -16.397 1.00 0.00 O ATOM 734 CB THR A 46 73.303 1.703 -14.508 1.00 0.00 C ATOM 735 OG1 THR A 46 74.505 1.916 -15.234 1.00 0.00 O ATOM 736 CG2 THR A 46 73.364 2.474 -13.184 1.00 0.00 C ATOM 0 H THR A 46 75.234 0.005 -13.920 1.00 0.00 H new ATOM 0 HA THR A 46 72.209 -0.017 -13.701 1.00 0.00 H new ATOM 0 HB THR A 46 72.452 2.061 -15.087 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.031 2.618 -14.797 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.487 3.538 -13.388 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.440 2.315 -12.628 1.00 0.00 H new ATOM 0 HG23 THR A 46 74.208 2.118 -12.594 1.00 0.00 H new ATOM 744 N GLU A 47 73.963 -1.514 -15.776 1.00 0.00 N ATOM 745 CA GLU A 47 74.256 -2.021 -17.157 1.00 0.00 C ATOM 746 C GLU A 47 73.004 -2.565 -17.859 1.00 0.00 C ATOM 747 O GLU A 47 72.889 -2.485 -19.068 1.00 0.00 O ATOM 748 CB GLU A 47 75.279 -3.146 -16.967 1.00 0.00 C ATOM 749 CG GLU A 47 76.595 -2.561 -16.450 1.00 0.00 C ATOM 750 CD GLU A 47 77.639 -3.673 -16.334 1.00 0.00 C ATOM 751 OE1 GLU A 47 77.544 -4.451 -15.400 1.00 0.00 O ATOM 752 OE2 GLU A 47 78.514 -3.726 -17.182 1.00 0.00 O ATOM 0 H GLU A 47 74.508 -1.957 -15.036 1.00 0.00 H new ATOM 0 HA GLU A 47 74.625 -1.213 -17.789 1.00 0.00 H new ATOM 0 HB2 GLU A 47 74.896 -3.884 -16.263 1.00 0.00 H new ATOM 0 HB3 GLU A 47 75.446 -3.663 -17.912 1.00 0.00 H new ATOM 0 HG2 GLU A 47 76.950 -1.784 -17.127 1.00 0.00 H new ATOM 0 HG3 GLU A 47 76.439 -2.091 -15.479 1.00 0.00 H new ATOM 759 N ASP A 48 72.071 -3.115 -17.123 1.00 0.00 N ATOM 760 CA ASP A 48 70.893 -3.771 -17.782 1.00 0.00 C ATOM 761 C ASP A 48 70.029 -2.726 -18.501 1.00 0.00 C ATOM 762 O ASP A 48 69.825 -2.799 -19.700 1.00 0.00 O ATOM 763 CB ASP A 48 70.100 -4.427 -16.646 1.00 0.00 C ATOM 764 CG ASP A 48 70.926 -5.558 -16.028 1.00 0.00 C ATOM 765 OD1 ASP A 48 71.544 -6.297 -16.779 1.00 0.00 O ATOM 766 OD2 ASP A 48 70.928 -5.666 -14.812 1.00 0.00 O ATOM 0 H ASP A 48 72.070 -3.140 -16.103 1.00 0.00 H new ATOM 0 HA ASP A 48 71.204 -4.498 -18.532 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.854 -3.686 -15.886 1.00 0.00 H new ATOM 0 HB3 ASP A 48 69.157 -4.818 -17.027 1.00 0.00 H new ATOM 771 N ARG A 49 69.525 -1.761 -17.776 1.00 0.00 N ATOM 772 CA ARG A 49 68.688 -0.688 -18.405 1.00 0.00 C ATOM 773 C ARG A 49 69.530 0.548 -18.768 1.00 0.00 C ATOM 774 O ARG A 49 68.989 1.583 -19.112 1.00 0.00 O ATOM 775 CB ARG A 49 67.632 -0.345 -17.355 1.00 0.00 C ATOM 776 CG ARG A 49 66.656 -1.518 -17.225 1.00 0.00 C ATOM 777 CD ARG A 49 65.473 -1.116 -16.339 1.00 0.00 C ATOM 778 NE ARG A 49 64.312 -1.908 -16.854 1.00 0.00 N ATOM 779 CZ ARG A 49 63.693 -1.581 -17.973 1.00 0.00 C ATOM 780 NH1 ARG A 49 64.075 -0.553 -18.697 1.00 0.00 N ATOM 781 NH2 ARG A 49 62.679 -2.298 -18.372 1.00 0.00 N ATOM 0 H ARG A 49 69.657 -1.667 -16.769 1.00 0.00 H new ATOM 0 HA ARG A 49 68.242 -1.023 -19.341 1.00 0.00 H new ATOM 0 HB2 ARG A 49 68.108 -0.143 -16.395 1.00 0.00 H new ATOM 0 HB3 ARG A 49 67.096 0.560 -17.642 1.00 0.00 H new ATOM 0 HG2 ARG A 49 66.299 -1.816 -18.211 1.00 0.00 H new ATOM 0 HG3 ARG A 49 67.166 -2.381 -16.796 1.00 0.00 H new ATOM 0 HD2 ARG A 49 65.671 -1.342 -15.291 1.00 0.00 H new ATOM 0 HD3 ARG A 49 65.279 -0.045 -16.403 1.00 0.00 H new ATOM 0 HE ARG A 49 63.991 -2.720 -16.327 1.00 0.00 H new ATOM 0 HH11 ARG A 49 64.868 0.015 -18.398 1.00 0.00 H new ATOM 0 HH12 ARG A 49 63.578 -0.323 -19.558 1.00 0.00 H new ATOM 0 HH21 ARG A 49 62.373 -3.100 -17.821 1.00 0.00 H new ATOM 0 HH22 ARG A 49 62.192 -2.056 -19.235 1.00 0.00 H new ATOM 795 N ASP A 50 70.844 0.456 -18.695 1.00 0.00 N ATOM 796 CA ASP A 50 71.713 1.679 -18.848 1.00 0.00 C ATOM 797 C ASP A 50 71.421 2.429 -20.156 1.00 0.00 C ATOM 798 O ASP A 50 70.680 1.965 -21.004 1.00 0.00 O ATOM 799 CB ASP A 50 73.169 1.174 -18.855 1.00 0.00 C ATOM 800 CG ASP A 50 73.386 0.113 -19.951 1.00 0.00 C ATOM 801 OD1 ASP A 50 72.521 -0.040 -20.799 1.00 0.00 O ATOM 802 OD2 ASP A 50 74.422 -0.530 -19.919 1.00 0.00 O ATOM 0 H ASP A 50 71.353 -0.414 -18.536 1.00 0.00 H new ATOM 0 HA ASP A 50 71.521 2.379 -18.035 1.00 0.00 H new ATOM 0 HB2 ASP A 50 73.847 2.012 -19.018 1.00 0.00 H new ATOM 0 HB3 ASP A 50 73.414 0.750 -17.881 1.00 0.00 H new ATOM 807 N THR A 51 72.009 3.589 -20.308 1.00 0.00 N ATOM 808 CA THR A 51 71.916 4.337 -21.600 1.00 0.00 C ATOM 809 C THR A 51 72.894 3.741 -22.611 1.00 0.00 C ATOM 810 O THR A 51 73.789 2.996 -22.251 1.00 0.00 O ATOM 811 CB THR A 51 72.302 5.781 -21.265 1.00 0.00 C ATOM 812 OG1 THR A 51 71.545 6.224 -20.146 1.00 0.00 O ATOM 813 CG2 THR A 51 72.012 6.681 -22.467 1.00 0.00 C ATOM 0 H THR A 51 72.556 4.055 -19.584 1.00 0.00 H new ATOM 0 HA THR A 51 70.920 4.282 -22.039 1.00 0.00 H new ATOM 0 HB THR A 51 73.365 5.828 -21.028 1.00 0.00 H new ATOM 0 HG1 THR A 51 71.792 7.147 -19.929 1.00 0.00 H new ATOM 0 HG21 THR A 51 72.287 7.708 -22.227 1.00 0.00 H new ATOM 0 HG22 THR A 51 72.592 6.341 -23.325 1.00 0.00 H new ATOM 0 HG23 THR A 51 70.950 6.637 -22.707 1.00 0.00 H new ATOM 821 N GLN A 52 72.733 4.061 -23.872 1.00 0.00 N ATOM 822 CA GLN A 52 73.637 3.477 -24.916 1.00 0.00 C ATOM 823 C GLN A 52 75.011 4.178 -24.920 1.00 0.00 C ATOM 824 O GLN A 52 75.854 3.884 -25.749 1.00 0.00 O ATOM 825 CB GLN A 52 72.908 3.691 -26.256 1.00 0.00 C ATOM 826 CG GLN A 52 72.754 5.190 -26.557 1.00 0.00 C ATOM 827 CD GLN A 52 71.500 5.419 -27.406 1.00 0.00 C ATOM 828 OE1 GLN A 52 71.448 5.023 -28.553 1.00 0.00 O ATOM 829 NE2 GLN A 52 70.481 6.047 -26.886 1.00 0.00 N ATOM 0 H GLN A 52 72.019 4.698 -24.224 1.00 0.00 H new ATOM 0 HA GLN A 52 73.836 2.422 -24.727 1.00 0.00 H new ATOM 0 HB2 GLN A 52 73.465 3.209 -27.060 1.00 0.00 H new ATOM 0 HB3 GLN A 52 71.926 3.219 -26.221 1.00 0.00 H new ATOM 0 HG2 GLN A 52 72.682 5.752 -25.626 1.00 0.00 H new ATOM 0 HG3 GLN A 52 73.634 5.557 -27.084 1.00 0.00 H new ATOM 0 HE21 GLN A 52 70.524 6.380 -25.923 1.00 0.00 H new ATOM 0 HE22 GLN A 52 69.641 6.205 -27.443 1.00 0.00 H new ATOM 838 N PHE A 53 75.243 5.098 -24.008 1.00 0.00 N ATOM 839 CA PHE A 53 76.621 5.641 -23.817 1.00 0.00 C ATOM 840 C PHE A 53 77.295 4.931 -22.638 1.00 0.00 C ATOM 841 O PHE A 53 76.632 4.450 -21.735 1.00 0.00 O ATOM 842 CB PHE A 53 76.424 7.127 -23.515 1.00 0.00 C ATOM 843 CG PHE A 53 76.264 7.979 -24.754 1.00 0.00 C ATOM 844 CD1 PHE A 53 75.286 7.646 -25.725 1.00 0.00 C ATOM 845 CD2 PHE A 53 77.095 9.110 -24.944 1.00 0.00 C ATOM 846 CE1 PHE A 53 75.140 8.446 -26.885 1.00 0.00 C ATOM 847 CE2 PHE A 53 76.948 9.910 -26.104 1.00 0.00 C ATOM 848 CZ PHE A 53 75.970 9.578 -27.074 1.00 0.00 C ATOM 0 H PHE A 53 74.534 5.493 -23.390 1.00 0.00 H new ATOM 0 HA PHE A 53 77.257 5.490 -24.689 1.00 0.00 H new ATOM 0 HB2 PHE A 53 75.543 7.248 -22.885 1.00 0.00 H new ATOM 0 HB3 PHE A 53 77.278 7.489 -22.942 1.00 0.00 H new ATOM 0 HD1 PHE A 53 74.653 6.783 -25.580 1.00 0.00 H new ATOM 0 HD2 PHE A 53 77.841 9.363 -24.205 1.00 0.00 H new ATOM 0 HE1 PHE A 53 74.396 8.193 -27.625 1.00 0.00 H new ATOM 0 HE2 PHE A 53 77.581 10.773 -26.249 1.00 0.00 H new ATOM 0 HZ PHE A 53 75.857 10.188 -27.958 1.00 0.00 H new ATOM 858 N GLN A 54 78.603 4.861 -22.641 1.00 0.00 N ATOM 859 CA GLN A 54 79.324 4.069 -21.589 1.00 0.00 C ATOM 860 C GLN A 54 79.168 4.730 -20.215 1.00 0.00 C ATOM 861 O GLN A 54 79.244 5.937 -20.085 1.00 0.00 O ATOM 862 CB GLN A 54 80.795 4.066 -22.016 1.00 0.00 C ATOM 863 CG GLN A 54 80.949 3.287 -23.323 1.00 0.00 C ATOM 864 CD GLN A 54 82.409 3.331 -23.780 1.00 0.00 C ATOM 865 OE1 GLN A 54 83.084 4.327 -23.606 1.00 0.00 O ATOM 866 NE2 GLN A 54 82.929 2.285 -24.362 1.00 0.00 N ATOM 0 H GLN A 54 79.206 5.317 -23.326 1.00 0.00 H new ATOM 0 HA GLN A 54 78.925 3.059 -21.501 1.00 0.00 H new ATOM 0 HB2 GLN A 54 81.148 5.089 -22.147 1.00 0.00 H new ATOM 0 HB3 GLN A 54 81.409 3.614 -21.237 1.00 0.00 H new ATOM 0 HG2 GLN A 54 80.633 2.253 -23.181 1.00 0.00 H new ATOM 0 HG3 GLN A 54 80.304 3.715 -24.091 1.00 0.00 H new ATOM 0 HE21 GLN A 54 82.363 1.449 -24.508 1.00 0.00 H new ATOM 0 HE22 GLN A 54 83.901 2.304 -24.670 1.00 0.00 H new ATOM 875 N ILE A 55 78.950 3.938 -19.189 1.00 0.00 N ATOM 876 CA ILE A 55 78.847 4.495 -17.802 1.00 0.00 C ATOM 877 C ILE A 55 79.976 3.923 -16.935 1.00 0.00 C ATOM 878 O ILE A 55 80.322 2.761 -17.044 1.00 0.00 O ATOM 879 CB ILE A 55 77.471 4.047 -17.273 1.00 0.00 C ATOM 880 CG1 ILE A 55 76.361 4.576 -18.193 1.00 0.00 C ATOM 881 CG2 ILE A 55 77.256 4.603 -15.860 1.00 0.00 C ATOM 882 CD1 ILE A 55 75.030 3.919 -17.825 1.00 0.00 C ATOM 0 H ILE A 55 78.839 2.926 -19.254 1.00 0.00 H new ATOM 0 HA ILE A 55 78.940 5.581 -17.784 1.00 0.00 H new ATOM 0 HB ILE A 55 77.438 2.958 -17.250 1.00 0.00 H new ATOM 0 HG12 ILE A 55 76.282 5.659 -18.098 1.00 0.00 H new ATOM 0 HG13 ILE A 55 76.606 4.365 -19.234 1.00 0.00 H new ATOM 0 HG21 ILE A 55 76.282 4.285 -15.488 1.00 0.00 H new ATOM 0 HG22 ILE A 55 78.037 4.228 -15.199 1.00 0.00 H new ATOM 0 HG23 ILE A 55 77.296 5.692 -15.888 1.00 0.00 H new ATOM 0 HD11 ILE A 55 74.245 4.297 -18.480 1.00 0.00 H new ATOM 0 HD12 ILE A 55 75.113 2.839 -17.943 1.00 0.00 H new ATOM 0 HD13 ILE A 55 74.783 4.153 -16.789 1.00 0.00 H new ATOM 894 N ALA A 56 80.547 4.732 -16.077 1.00 0.00 N ATOM 895 CA ALA A 56 81.661 4.249 -15.205 1.00 0.00 C ATOM 896 C ALA A 56 81.120 3.863 -13.815 1.00 0.00 C ATOM 897 O ALA A 56 80.730 4.730 -13.057 1.00 0.00 O ATOM 898 CB ALA A 56 82.615 5.439 -15.090 1.00 0.00 C ATOM 0 H ALA A 56 80.288 5.709 -15.943 1.00 0.00 H new ATOM 0 HA ALA A 56 82.152 3.366 -15.614 1.00 0.00 H new ATOM 0 HB1 ALA A 56 83.464 5.166 -14.463 1.00 0.00 H new ATOM 0 HB2 ALA A 56 82.971 5.717 -16.082 1.00 0.00 H new ATOM 0 HB3 ALA A 56 82.091 6.284 -14.643 1.00 0.00 H new ATOM 904 N PRO A 57 81.109 2.574 -13.516 1.00 0.00 N ATOM 905 CA PRO A 57 80.637 2.116 -12.180 1.00 0.00 C ATOM 906 C PRO A 57 81.623 2.549 -11.090 1.00 0.00 C ATOM 907 O PRO A 57 82.815 2.630 -11.318 1.00 0.00 O ATOM 908 CB PRO A 57 80.595 0.592 -12.304 1.00 0.00 C ATOM 909 CG PRO A 57 81.515 0.261 -13.433 1.00 0.00 C ATOM 910 CD PRO A 57 81.519 1.442 -14.365 1.00 0.00 C ATOM 0 HA PRO A 57 79.670 2.537 -11.903 1.00 0.00 H new ATOM 0 HB2 PRO A 57 80.919 0.113 -11.380 1.00 0.00 H new ATOM 0 HB3 PRO A 57 79.583 0.242 -12.506 1.00 0.00 H new ATOM 0 HG2 PRO A 57 82.520 0.059 -13.063 1.00 0.00 H new ATOM 0 HG3 PRO A 57 81.180 -0.637 -13.952 1.00 0.00 H new ATOM 0 HD2 PRO A 57 82.506 1.605 -14.797 1.00 0.00 H new ATOM 0 HD3 PRO A 57 80.828 1.296 -15.195 1.00 0.00 H new ATOM 918 N GLN A 58 81.128 2.827 -9.907 1.00 0.00 N ATOM 919 CA GLN A 58 82.027 3.251 -8.790 1.00 0.00 C ATOM 920 C GLN A 58 82.280 2.076 -7.839 1.00 0.00 C ATOM 921 O GLN A 58 81.358 1.514 -7.278 1.00 0.00 O ATOM 922 CB GLN A 58 81.268 4.368 -8.072 1.00 0.00 C ATOM 923 CG GLN A 58 81.166 5.589 -8.989 1.00 0.00 C ATOM 924 CD GLN A 58 80.349 6.684 -8.299 1.00 0.00 C ATOM 925 OE1 GLN A 58 79.391 6.399 -7.607 1.00 0.00 O ATOM 926 NE2 GLN A 58 80.690 7.933 -8.457 1.00 0.00 N ATOM 0 H GLN A 58 80.138 2.778 -9.668 1.00 0.00 H new ATOM 0 HA GLN A 58 83.001 3.585 -9.148 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.271 4.025 -7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.782 4.636 -7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.162 5.961 -9.228 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.695 5.310 -9.932 1.00 0.00 H new ATOM 0 HE21 GLN A 58 81.494 8.173 -9.037 1.00 0.00 H new ATOM 0 HE22 GLN A 58 80.153 8.670 -8.000 1.00 0.00 H new ATOM 935 N SER A 59 83.525 1.706 -7.659 1.00 0.00 N ATOM 936 CA SER A 59 83.855 0.569 -6.742 1.00 0.00 C ATOM 937 C SER A 59 83.875 1.039 -5.281 1.00 0.00 C ATOM 938 O SER A 59 83.639 0.263 -4.373 1.00 0.00 O ATOM 939 CB SER A 59 85.245 0.096 -7.169 1.00 0.00 C ATOM 940 OG SER A 59 86.200 1.103 -6.860 1.00 0.00 O ATOM 0 H SER A 59 84.329 2.144 -8.109 1.00 0.00 H new ATOM 0 HA SER A 59 83.115 -0.229 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 59 85.499 -0.832 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 59 85.257 -0.117 -8.238 1.00 0.00 H new ATOM 0 HG SER A 59 87.092 0.802 -7.131 1.00 0.00 H new ATOM 946 N GLN A 60 84.154 2.302 -5.049 1.00 0.00 N ATOM 947 CA GLN A 60 84.218 2.824 -3.642 1.00 0.00 C ATOM 948 C GLN A 60 82.859 2.672 -2.947 1.00 0.00 C ATOM 949 O GLN A 60 81.820 2.744 -3.576 1.00 0.00 O ATOM 950 CB GLN A 60 84.583 4.306 -3.776 1.00 0.00 C ATOM 951 CG GLN A 60 84.912 4.881 -2.396 1.00 0.00 C ATOM 952 CD GLN A 60 85.269 6.364 -2.528 1.00 0.00 C ATOM 953 OE1 GLN A 60 85.869 6.774 -3.501 1.00 0.00 O ATOM 954 NE2 GLN A 60 84.921 7.192 -1.580 1.00 0.00 N ATOM 0 H GLN A 60 84.340 2.995 -5.774 1.00 0.00 H new ATOM 0 HA GLN A 60 84.944 2.276 -3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 60 85.438 4.421 -4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 60 83.754 4.856 -4.222 1.00 0.00 H new ATOM 0 HG2 GLN A 60 84.059 4.760 -1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 60 85.744 4.335 -1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 60 84.417 6.848 -0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 60 85.153 8.182 -1.657 1.00 0.00 H new ATOM 963 N ILE A 61 82.868 2.463 -1.652 1.00 0.00 N ATOM 964 CA ILE A 61 81.586 2.307 -0.897 1.00 0.00 C ATOM 965 C ILE A 61 81.193 3.646 -0.261 1.00 0.00 C ATOM 966 O ILE A 61 82.042 4.416 0.150 1.00 0.00 O ATOM 967 CB ILE A 61 81.880 1.257 0.192 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.400 -0.053 -0.441 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.603 0.963 0.990 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.399 -0.603 -1.470 1.00 0.00 C ATOM 0 H ILE A 61 83.712 2.394 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 61 80.761 1.999 -1.540 1.00 0.00 H new ATOM 0 HB ILE A 61 82.646 1.656 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.360 0.128 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.570 -0.795 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 61 80.817 0.220 1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.249 1.880 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.835 0.580 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.789 -1.525 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.447 -0.806 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.250 0.132 -2.261 1.00 0.00 H new ATOM 982 N TYR A 62 79.914 3.924 -0.179 1.00 0.00 N ATOM 983 CA TYR A 62 79.459 5.226 0.397 1.00 0.00 C ATOM 984 C TYR A 62 79.115 5.061 1.879 1.00 0.00 C ATOM 985 O TYR A 62 78.183 4.361 2.231 1.00 0.00 O ATOM 986 CB TYR A 62 78.210 5.596 -0.401 1.00 0.00 C ATOM 987 CG TYR A 62 78.512 6.196 -1.754 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.212 5.441 -2.724 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.093 7.516 -2.050 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.494 6.005 -3.993 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.375 8.081 -3.318 1.00 0.00 C ATOM 992 CZ TYR A 62 79.074 7.325 -4.289 1.00 0.00 C ATOM 993 OH TYR A 62 79.348 7.875 -5.525 1.00 0.00 O ATOM 0 H TYR A 62 79.165 3.303 -0.487 1.00 0.00 H new ATOM 0 HA TYR A 62 80.229 5.995 0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.598 4.704 -0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.616 6.304 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.532 4.435 -2.497 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.558 8.092 -1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 62 80.029 5.429 -4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.057 9.088 -3.544 1.00 0.00 H new ATOM 0 HH TYR A 62 79.140 7.223 -6.227 1.00 0.00 H new ATOM 1003 N ASP A 63 79.867 5.698 2.748 1.00 0.00 N ATOM 1004 CA ASP A 63 79.559 5.656 4.221 1.00 0.00 C ATOM 1005 C ASP A 63 78.092 6.019 4.501 1.00 0.00 C ATOM 1006 O ASP A 63 77.443 5.409 5.329 1.00 0.00 O ATOM 1007 CB ASP A 63 80.479 6.708 4.846 1.00 0.00 C ATOM 1008 CG ASP A 63 80.512 6.527 6.365 1.00 0.00 C ATOM 1009 OD1 ASP A 63 79.457 6.320 6.941 1.00 0.00 O ATOM 1010 OD2 ASP A 63 81.592 6.597 6.927 1.00 0.00 O ATOM 0 H ASP A 63 80.688 6.250 2.500 1.00 0.00 H new ATOM 0 HA ASP A 63 79.715 4.657 4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 63 81.485 6.614 4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.125 7.708 4.597 1.00 0.00 H new ATOM 1015 N TYR A 64 77.575 7.008 3.811 1.00 0.00 N ATOM 1016 CA TYR A 64 76.191 7.496 4.104 1.00 0.00 C ATOM 1017 C TYR A 64 75.568 8.108 2.846 1.00 0.00 C ATOM 1018 O TYR A 64 76.166 8.945 2.195 1.00 0.00 O ATOM 1019 CB TYR A 64 76.375 8.566 5.182 1.00 0.00 C ATOM 1020 CG TYR A 64 75.087 9.016 5.841 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.094 9.694 5.087 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.879 8.773 7.221 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.899 10.123 5.713 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.683 9.202 7.844 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.694 9.877 7.091 1.00 0.00 C ATOM 1026 OH TYR A 64 71.529 10.296 7.701 1.00 0.00 O ATOM 0 H TYR A 64 78.054 7.499 3.056 1.00 0.00 H new ATOM 0 HA TYR A 64 75.528 6.694 4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 64 77.046 8.180 5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.864 9.433 4.737 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.250 9.883 4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.634 8.260 7.798 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.144 10.638 5.138 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.525 9.014 8.896 1.00 0.00 H new ATOM 0 HH TYR A 64 71.548 10.047 8.649 1.00 0.00 H new ATOM 1036 N ILE A 65 74.373 7.694 2.503 1.00 0.00 N ATOM 1037 CA ILE A 65 73.627 8.367 1.390 1.00 0.00 C ATOM 1038 C ILE A 65 72.220 8.757 1.868 1.00 0.00 C ATOM 1039 O ILE A 65 71.489 7.942 2.401 1.00 0.00 O ATOM 1040 CB ILE A 65 73.558 7.339 0.246 1.00 0.00 C ATOM 1041 CG1 ILE A 65 74.984 7.000 -0.221 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.762 7.925 -0.933 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.939 5.942 -1.332 1.00 0.00 C ATOM 0 H ILE A 65 73.880 6.918 2.945 1.00 0.00 H new ATOM 0 HA ILE A 65 74.118 9.282 1.061 1.00 0.00 H new ATOM 0 HB ILE A 65 73.063 6.436 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.479 7.900 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.572 6.631 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.716 7.194 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.751 8.167 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.254 8.829 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 65 75.954 5.710 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.463 5.037 -0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.368 6.326 -2.177 1.00 0.00 H new ATOM 1055 N LEU A 66 71.849 10.001 1.678 1.00 0.00 N ATOM 1056 CA LEU A 66 70.466 10.446 2.034 1.00 0.00 C ATOM 1057 C LEU A 66 69.537 10.267 0.831 1.00 0.00 C ATOM 1058 O LEU A 66 69.896 10.579 -0.290 1.00 0.00 O ATOM 1059 CB LEU A 66 70.601 11.929 2.397 1.00 0.00 C ATOM 1060 CG LEU A 66 69.270 12.450 2.946 1.00 0.00 C ATOM 1061 CD1 LEU A 66 69.019 11.859 4.334 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.325 13.976 3.044 1.00 0.00 C ATOM 0 H LEU A 66 72.448 10.730 1.290 1.00 0.00 H new ATOM 0 HA LEU A 66 70.043 9.869 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.388 12.061 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.892 12.503 1.518 1.00 0.00 H new ATOM 0 HG LEU A 66 68.462 12.155 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.071 12.232 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.981 10.772 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.826 12.152 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.379 14.350 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.135 14.269 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.501 14.398 2.055 1.00 0.00 H new ATOM 1074 N PHE A 67 68.347 9.768 1.056 1.00 0.00 N ATOM 1075 CA PHE A 67 67.423 9.468 -0.079 1.00 0.00 C ATOM 1076 C PHE A 67 66.007 9.961 0.234 1.00 0.00 C ATOM 1077 O PHE A 67 65.457 9.666 1.278 1.00 0.00 O ATOM 1078 CB PHE A 67 67.437 7.942 -0.203 1.00 0.00 C ATOM 1079 CG PHE A 67 68.528 7.402 -1.101 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.788 8.008 -2.355 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.276 6.269 -0.696 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.792 7.481 -3.198 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.284 5.747 -1.540 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.542 6.352 -2.792 1.00 0.00 C ATOM 0 H PHE A 67 67.975 9.555 1.982 1.00 0.00 H new ATOM 0 HA PHE A 67 67.733 9.962 -1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.553 7.509 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.471 7.611 -0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.219 8.872 -2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.076 5.803 0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 67 69.988 7.941 -4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 67 70.857 4.886 -1.228 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.310 5.953 -3.437 1.00 0.00 H new ATOM 1094 N ARG A 68 65.419 10.713 -0.665 1.00 0.00 N ATOM 1095 CA ARG A 68 63.982 11.098 -0.507 1.00 0.00 C ATOM 1096 C ARG A 68 63.080 10.073 -1.205 1.00 0.00 C ATOM 1097 O ARG A 68 63.441 9.497 -2.218 1.00 0.00 O ATOM 1098 CB ARG A 68 63.855 12.468 -1.182 1.00 0.00 C ATOM 1099 CG ARG A 68 64.661 13.505 -0.397 1.00 0.00 C ATOM 1100 CD ARG A 68 64.441 14.892 -1.008 1.00 0.00 C ATOM 1101 NE ARG A 68 65.412 15.793 -0.306 1.00 0.00 N ATOM 1102 CZ ARG A 68 65.731 16.977 -0.798 1.00 0.00 C ATOM 1103 NH1 ARG A 68 65.211 17.421 -1.920 1.00 0.00 N ATOM 1104 NH2 ARG A 68 66.584 17.724 -0.153 1.00 0.00 N ATOM 0 H ARG A 68 65.873 11.077 -1.502 1.00 0.00 H new ATOM 0 HA ARG A 68 63.679 11.131 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.216 12.413 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.808 12.766 -1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.354 13.504 0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.721 13.250 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 68 64.621 14.881 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 68 63.415 15.229 -0.860 1.00 0.00 H new ATOM 0 HE ARG A 68 65.835 15.486 0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 68 64.543 16.847 -2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 68 65.476 18.339 -2.276 1.00 0.00 H new ATOM 0 HH21 ARG A 68 66.995 17.392 0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 68 66.840 18.640 -0.521 1.00 0.00 H new ATOM 1118 N GLY A 69 61.904 9.841 -0.669 1.00 0.00 N ATOM 1119 CA GLY A 69 60.961 8.858 -1.292 1.00 0.00 C ATOM 1120 C GLY A 69 60.632 9.263 -2.738 1.00 0.00 C ATOM 1121 O GLY A 69 60.292 8.429 -3.557 1.00 0.00 O ATOM 0 H GLY A 69 61.556 10.293 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.405 7.863 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.043 8.805 -0.706 1.00 0.00 H new ATOM 1125 N SER A 70 60.731 10.533 -3.055 1.00 0.00 N ATOM 1126 CA SER A 70 60.369 11.001 -4.433 1.00 0.00 C ATOM 1127 C SER A 70 61.365 10.468 -5.472 1.00 0.00 C ATOM 1128 O SER A 70 60.985 10.113 -6.572 1.00 0.00 O ATOM 1129 CB SER A 70 60.431 12.528 -4.373 1.00 0.00 C ATOM 1130 OG SER A 70 61.780 12.937 -4.188 1.00 0.00 O ATOM 0 H SER A 70 61.047 11.266 -2.420 1.00 0.00 H new ATOM 0 HA SER A 70 59.384 10.642 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 70 60.032 12.956 -5.293 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.812 12.897 -3.555 1.00 0.00 H new ATOM 0 HG SER A 70 61.823 13.915 -4.151 1.00 0.00 H new ATOM 1136 N ASP A 71 62.631 10.407 -5.131 1.00 0.00 N ATOM 1137 CA ASP A 71 63.663 9.995 -6.138 1.00 0.00 C ATOM 1138 C ASP A 71 63.736 8.467 -6.253 1.00 0.00 C ATOM 1139 O ASP A 71 64.041 7.936 -7.303 1.00 0.00 O ATOM 1140 CB ASP A 71 64.996 10.586 -5.644 1.00 0.00 C ATOM 1141 CG ASP A 71 65.364 10.018 -4.268 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.660 8.839 -4.195 1.00 0.00 O ATOM 1143 OD2 ASP A 71 65.351 10.777 -3.315 1.00 0.00 O ATOM 0 H ASP A 71 62.994 10.624 -4.203 1.00 0.00 H new ATOM 0 HA ASP A 71 63.418 10.362 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.787 10.360 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.919 11.672 -5.586 1.00 0.00 H new ATOM 1148 N ILE A 72 63.461 7.761 -5.183 1.00 0.00 N ATOM 1149 CA ILE A 72 63.444 6.265 -5.252 1.00 0.00 C ATOM 1150 C ILE A 72 61.998 5.754 -5.259 1.00 0.00 C ATOM 1151 O ILE A 72 61.149 6.245 -4.539 1.00 0.00 O ATOM 1152 CB ILE A 72 64.246 5.814 -4.016 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.740 5.917 -4.351 1.00 0.00 C ATOM 1154 CG2 ILE A 72 63.917 4.361 -3.633 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.539 6.179 -3.081 1.00 0.00 C ATOM 0 H ILE A 72 63.248 8.155 -4.266 1.00 0.00 H new ATOM 0 HA ILE A 72 63.888 5.862 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 72 63.985 6.453 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.081 4.995 -4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.906 6.721 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.500 4.075 -2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 72 62.854 4.276 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.163 3.701 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.599 6.251 -3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.207 7.113 -2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.384 5.360 -2.378 1.00 0.00 H new ATOM 1167 N LYS A 73 61.727 4.763 -6.075 1.00 0.00 N ATOM 1168 CA LYS A 73 60.313 4.377 -6.358 1.00 0.00 C ATOM 1169 C LYS A 73 59.925 3.082 -5.631 1.00 0.00 C ATOM 1170 O LYS A 73 58.750 2.797 -5.477 1.00 0.00 O ATOM 1171 CB LYS A 73 60.258 4.175 -7.872 1.00 0.00 C ATOM 1172 CG LYS A 73 58.802 4.041 -8.319 1.00 0.00 C ATOM 1173 CD LYS A 73 58.751 3.783 -9.827 1.00 0.00 C ATOM 1174 CE LYS A 73 57.297 3.827 -10.305 1.00 0.00 C ATOM 1175 NZ LYS A 73 57.338 3.320 -11.704 1.00 0.00 N ATOM 0 H LYS A 73 62.430 4.204 -6.558 1.00 0.00 H new ATOM 0 HA LYS A 73 59.614 5.138 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.728 5.018 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.818 3.282 -8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.320 3.223 -7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.251 4.950 -8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 73 59.341 4.532 -10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 73 59.191 2.812 -10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.656 3.206 -9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.898 4.841 -10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 56.377 3.320 -12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 57.950 3.934 -12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 57.716 2.351 -11.711 1.00 0.00 H new ATOM 1189 N ASP A 74 60.880 2.293 -5.183 1.00 0.00 N ATOM 1190 CA ASP A 74 60.507 1.020 -4.486 1.00 0.00 C ATOM 1191 C ASP A 74 61.570 0.617 -3.460 1.00 0.00 C ATOM 1192 O ASP A 74 62.750 0.608 -3.743 1.00 0.00 O ATOM 1193 CB ASP A 74 60.399 -0.027 -5.596 1.00 0.00 C ATOM 1194 CG ASP A 74 59.778 -1.309 -5.035 1.00 0.00 C ATOM 1195 OD1 ASP A 74 58.563 -1.375 -4.970 1.00 0.00 O ATOM 1196 OD2 ASP A 74 60.531 -2.201 -4.679 1.00 0.00 O ATOM 0 H ASP A 74 61.880 2.472 -5.268 1.00 0.00 H new ATOM 0 HA ASP A 74 59.575 1.125 -3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.789 0.357 -6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.386 -0.239 -6.007 1.00 0.00 H new ATOM 1201 N ILE A 75 61.141 0.284 -2.265 1.00 0.00 N ATOM 1202 CA ILE A 75 62.089 -0.202 -1.215 1.00 0.00 C ATOM 1203 C ILE A 75 61.532 -1.478 -0.560 1.00 0.00 C ATOM 1204 O ILE A 75 60.340 -1.599 -0.344 1.00 0.00 O ATOM 1205 CB ILE A 75 62.192 0.953 -0.200 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.179 0.576 0.911 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.820 1.248 0.420 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.568 1.830 1.698 1.00 0.00 C ATOM 0 H ILE A 75 60.165 0.329 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 75 63.068 -0.460 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 75 62.544 1.843 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.728 -0.159 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.068 0.114 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.912 2.066 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.119 1.529 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.453 0.359 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.270 1.561 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 75 64.036 2.550 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.676 2.273 2.141 1.00 0.00 H new ATOM 1220 N ARG A 76 62.387 -2.422 -0.249 1.00 0.00 N ATOM 1221 CA ARG A 76 61.917 -3.683 0.404 1.00 0.00 C ATOM 1222 C ARG A 76 62.980 -4.209 1.375 1.00 0.00 C ATOM 1223 O ARG A 76 64.155 -4.245 1.059 1.00 0.00 O ATOM 1224 CB ARG A 76 61.701 -4.673 -0.741 1.00 0.00 C ATOM 1225 CG ARG A 76 60.525 -4.212 -1.605 1.00 0.00 C ATOM 1226 CD ARG A 76 60.144 -5.322 -2.591 1.00 0.00 C ATOM 1227 NE ARG A 76 61.303 -5.431 -3.538 1.00 0.00 N ATOM 1228 CZ ARG A 76 61.193 -6.070 -4.687 1.00 0.00 C ATOM 1229 NH1 ARG A 76 60.068 -6.643 -5.052 1.00 0.00 N ATOM 1230 NH2 ARG A 76 62.228 -6.138 -5.479 1.00 0.00 N ATOM 0 H ARG A 76 63.391 -2.373 -0.420 1.00 0.00 H new ATOM 0 HA ARG A 76 61.007 -3.528 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.604 -4.746 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.504 -5.668 -0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.672 -3.964 -0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.793 -3.306 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 76 59.971 -6.265 -2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 76 59.225 -5.077 -3.122 1.00 0.00 H new ATOM 0 HE ARG A 76 62.194 -5.002 -3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 76 59.252 -6.600 -4.441 1.00 0.00 H new ATOM 0 HH12 ARG A 76 60.011 -7.131 -5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 76 63.108 -5.700 -5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 76 62.157 -6.629 -6.370 1.00 0.00 H new ATOM 1244 N VAL A 77 62.571 -4.613 2.554 1.00 0.00 N ATOM 1245 CA VAL A 77 63.546 -5.160 3.552 1.00 0.00 C ATOM 1246 C VAL A 77 63.723 -6.668 3.332 1.00 0.00 C ATOM 1247 O VAL A 77 62.782 -7.364 2.994 1.00 0.00 O ATOM 1248 CB VAL A 77 62.921 -4.883 4.931 1.00 0.00 C ATOM 1249 CG1 VAL A 77 63.871 -5.357 6.036 1.00 0.00 C ATOM 1250 CG2 VAL A 77 62.674 -3.378 5.098 1.00 0.00 C ATOM 0 H VAL A 77 61.601 -4.588 2.869 1.00 0.00 H new ATOM 0 HA VAL A 77 64.531 -4.702 3.461 1.00 0.00 H new ATOM 0 HB VAL A 77 61.975 -5.420 5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 77 63.424 -5.159 7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 77 64.048 -6.427 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 77 64.818 -4.823 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 77 62.232 -3.188 6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 77 63.620 -2.843 5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 77 61.994 -3.032 4.319 1.00 0.00 H new ATOM 1260 N VAL A 78 64.918 -7.173 3.520 1.00 0.00 N ATOM 1261 CA VAL A 78 65.162 -8.636 3.318 1.00 0.00 C ATOM 1262 C VAL A 78 65.018 -9.375 4.655 1.00 0.00 C ATOM 1263 O VAL A 78 65.527 -8.937 5.671 1.00 0.00 O ATOM 1264 CB VAL A 78 66.601 -8.743 2.787 1.00 0.00 C ATOM 1265 CG1 VAL A 78 66.943 -10.210 2.505 1.00 0.00 C ATOM 1266 CG2 VAL A 78 66.737 -7.943 1.486 1.00 0.00 C ATOM 0 H VAL A 78 65.736 -6.635 3.805 1.00 0.00 H new ATOM 0 HA VAL A 78 64.450 -9.083 2.625 1.00 0.00 H new ATOM 0 HB VAL A 78 67.283 -8.343 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 78 67.964 -10.280 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 78 66.855 -10.788 3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.254 -10.608 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 78 67.759 -8.023 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.048 -8.341 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.501 -6.896 1.676 1.00 0.00 H new ATOM 1276 N ASN A 79 64.327 -10.488 4.655 1.00 0.00 N ATOM 1277 CA ASN A 79 64.131 -11.261 5.920 1.00 0.00 C ATOM 1278 C ASN A 79 64.860 -12.607 5.837 1.00 0.00 C ATOM 1279 O ASN A 79 65.262 -13.036 4.772 1.00 0.00 O ATOM 1280 CB ASN A 79 62.620 -11.477 6.022 1.00 0.00 C ATOM 1281 CG ASN A 79 62.265 -11.948 7.433 1.00 0.00 C ATOM 1282 OD1 ASN A 79 62.469 -11.232 8.394 1.00 0.00 O ATOM 1283 ND2 ASN A 79 61.739 -13.130 7.601 1.00 0.00 N ATOM 0 H ASN A 79 63.888 -10.896 3.829 1.00 0.00 H new ATOM 0 HA ASN A 79 64.529 -10.737 6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 79 62.093 -10.550 5.793 1.00 0.00 H new ATOM 0 HB3 ASN A 79 62.297 -12.216 5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 79 61.499 -13.453 8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 79 61.568 -13.731 6.795 1.00 0.00 H new ATOM 1290 N ASN A 80 65.031 -13.268 6.956 1.00 0.00 N ATOM 1291 CA ASN A 80 65.733 -14.588 6.956 1.00 0.00 C ATOM 1292 C ASN A 80 64.722 -15.722 6.762 1.00 0.00 C ATOM 1293 O ASN A 80 63.696 -15.768 7.416 1.00 0.00 O ATOM 1294 CB ASN A 80 66.396 -14.690 8.332 1.00 0.00 C ATOM 1295 CG ASN A 80 67.329 -15.902 8.364 1.00 0.00 C ATOM 1296 OD1 ASN A 80 67.008 -16.914 8.956 1.00 0.00 O ATOM 1297 ND2 ASN A 80 68.478 -15.844 7.748 1.00 0.00 N ATOM 0 H ASN A 80 64.714 -12.949 7.871 1.00 0.00 H new ATOM 0 HA ASN A 80 66.461 -14.667 6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 80 66.958 -13.780 8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 80 65.635 -14.783 9.107 1.00 0.00 H new ATOM 0 HD21 ASN A 80 69.106 -16.648 7.763 1.00 0.00 H new ATOM 0 HD22 ASN A 80 68.748 -14.995 7.251 1.00 0.00 H new ATOM 1304 N HIS A 81 65.007 -16.636 5.865 1.00 0.00 N ATOM 1305 CA HIS A 81 64.061 -17.763 5.599 1.00 0.00 C ATOM 1306 C HIS A 81 64.734 -19.103 5.910 1.00 0.00 C ATOM 1307 O HIS A 81 65.946 -19.198 5.968 1.00 0.00 O ATOM 1308 CB HIS A 81 63.734 -17.661 4.109 1.00 0.00 C ATOM 1309 CG HIS A 81 62.702 -18.656 3.651 1.00 0.00 C ATOM 1310 ND1 HIS A 81 61.389 -18.617 4.096 1.00 0.00 N ATOM 1311 CD2 HIS A 81 62.774 -19.721 2.788 1.00 0.00 C ATOM 1312 CE1 HIS A 81 60.731 -19.631 3.504 1.00 0.00 C ATOM 1313 NE2 HIS A 81 61.528 -20.335 2.697 1.00 0.00 N ATOM 0 H HIS A 81 65.859 -16.649 5.304 1.00 0.00 H new ATOM 0 HA HIS A 81 63.166 -17.706 6.218 1.00 0.00 H new ATOM 0 HB2 HIS A 81 63.378 -16.654 3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 81 64.648 -17.807 3.534 1.00 0.00 H new ATOM 0 HD2 HIS A 81 63.662 -20.035 2.260 1.00 0.00 H new ATOM 0 HE1 HIS A 81 59.685 -19.849 3.663 1.00 0.00 H new ATOM 0 HE2 HIS A 81 61.278 -21.148 2.134 1.00 0.00 H new ATOM 1321 N THR A 82 63.951 -20.136 6.112 1.00 0.00 N ATOM 1322 CA THR A 82 64.530 -21.479 6.426 1.00 0.00 C ATOM 1323 C THR A 82 64.254 -22.454 5.277 1.00 0.00 C ATOM 1324 O THR A 82 63.198 -22.426 4.671 1.00 0.00 O ATOM 1325 CB THR A 82 63.812 -21.930 7.699 1.00 0.00 C ATOM 1326 OG1 THR A 82 63.886 -20.898 8.672 1.00 0.00 O ATOM 1327 CG2 THR A 82 64.476 -23.195 8.243 1.00 0.00 C ATOM 0 H THR A 82 62.932 -20.106 6.073 1.00 0.00 H new ATOM 0 HA THR A 82 65.611 -21.444 6.559 1.00 0.00 H new ATOM 0 HB THR A 82 62.767 -22.142 7.471 1.00 0.00 H new ATOM 0 HG1 THR A 82 63.425 -21.184 9.488 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.963 -23.514 9.150 1.00 0.00 H new ATOM 0 HG22 THR A 82 64.418 -23.986 7.496 1.00 0.00 H new ATOM 0 HG23 THR A 82 65.521 -22.988 8.472 1.00 0.00 H new ATOM 1335 N LEU A 83 65.197 -23.313 4.976 1.00 0.00 N ATOM 1336 CA LEU A 83 65.003 -24.294 3.858 1.00 0.00 C ATOM 1337 C LEU A 83 63.922 -25.323 4.234 1.00 0.00 C ATOM 1338 O LEU A 83 63.598 -25.468 5.398 1.00 0.00 O ATOM 1339 CB LEU A 83 66.366 -24.981 3.656 1.00 0.00 C ATOM 1340 CG LEU A 83 66.826 -25.677 4.958 1.00 0.00 C ATOM 1341 CD1 LEU A 83 67.190 -27.136 4.670 1.00 0.00 C ATOM 1342 CD2 LEU A 83 68.055 -24.954 5.527 1.00 0.00 C ATOM 0 H LEU A 83 66.095 -23.379 5.456 1.00 0.00 H new ATOM 0 HA LEU A 83 64.670 -23.803 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 83 66.294 -25.714 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 83 67.108 -24.244 3.350 1.00 0.00 H new ATOM 0 HG LEU A 83 66.012 -25.642 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 83 67.513 -27.619 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 83 66.319 -27.657 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 83 67.998 -27.172 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 83 68.375 -25.448 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 83 68.864 -24.983 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 83 67.799 -23.917 5.744 1.00 0.00 H new ATOM 1354 N PRO A 84 63.392 -26.010 3.237 1.00 0.00 N ATOM 1355 CA PRO A 84 62.342 -27.033 3.492 1.00 0.00 C ATOM 1356 C PRO A 84 62.912 -28.192 4.318 1.00 0.00 C ATOM 1357 O PRO A 84 62.127 -28.926 4.895 1.00 0.00 O ATOM 1358 CB PRO A 84 61.928 -27.511 2.094 1.00 0.00 C ATOM 1359 CG PRO A 84 62.519 -26.527 1.132 1.00 0.00 C ATOM 1360 CD PRO A 84 63.708 -25.904 1.807 1.00 0.00 C ATOM 1361 OXT PRO A 84 64.125 -28.325 4.359 1.00 0.00 O ATOM 0 HA PRO A 84 61.500 -26.637 4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 84 62.298 -28.518 1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 84 60.843 -27.547 1.999 1.00 0.00 H new ATOM 0 HG2 PRO A 84 62.817 -27.024 0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 84 61.787 -25.766 0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 84 64.630 -26.431 1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 84 63.843 -24.866 1.503 1.00 0.00 H new TER 1369 PRO A 84