USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 8:sc= -5.31! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -46:sc= -0.105 USER MOD Single : A 31 SER OG : rot -26:sc= 0.91! USER MOD Single : A 33 THR OG1 : rot -70:sc= -0.836 USER MOD Single : A 34 TYR OH : rot 63:sc= 0.679 USER MOD Single : A 35 TYR OH : rot -142:sc= -0.617 USER MOD Single : A 36 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.09) USER MOD Single : A 37 SER OG : rot 92:sc= 0.337 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 30:sc= -0.68! USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 1.44 (180deg=1.43) USER MOD Single : A 50 THR OG1 : rot 155:sc= -8.55! USER MOD Single : A 52 TYR OH : rot 55:sc= 0.0276 USER MOD Single : A 57 CYS SG : rot 14:sc= -0.102 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 65 LYS NZ :NH3+ 150:sc= -0.617 (180deg=-1.67) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.370 -1.171 16.861 1.00 0.00 N ATOM 2 CA MET A 1 48.092 -0.089 15.877 1.00 0.00 C ATOM 3 C MET A 1 49.289 0.064 14.936 1.00 0.00 C ATOM 4 O MET A 1 49.978 1.065 14.949 1.00 0.00 O ATOM 5 CB MET A 1 47.853 1.229 16.618 1.00 0.00 C ATOM 6 CG MET A 1 46.351 1.511 16.686 1.00 0.00 C ATOM 7 SD MET A 1 46.042 3.246 16.275 1.00 0.00 S ATOM 8 CE MET A 1 44.494 3.423 17.194 1.00 0.00 C ATOM 0 H1 MET A 1 47.557 -1.276 17.501 1.00 0.00 H new ATOM 0 H2 MET A 1 48.531 -2.066 16.357 1.00 0.00 H new ATOM 0 H3 MET A 1 49.217 -0.928 17.414 1.00 0.00 H new ATOM 0 HA MET A 1 47.204 -0.345 15.298 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.269 1.174 17.624 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.364 2.044 16.106 1.00 0.00 H new ATOM 0 HG2 MET A 1 45.817 0.861 15.993 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.974 1.290 17.685 1.00 0.00 H new ATOM 0 HE1 MET A 1 44.116 4.439 17.078 1.00 0.00 H new ATOM 0 HE2 MET A 1 43.759 2.716 16.808 1.00 0.00 H new ATOM 0 HE3 MET A 1 44.673 3.221 18.250 1.00 0.00 H new ATOM 18 N ALA A 2 49.541 -0.922 14.120 1.00 0.00 N ATOM 19 CA ALA A 2 50.693 -0.836 13.178 1.00 0.00 C ATOM 20 C ALA A 2 50.812 -2.151 12.404 1.00 0.00 C ATOM 21 O ALA A 2 49.992 -3.037 12.538 1.00 0.00 O ATOM 22 CB ALA A 2 51.981 -0.587 13.967 1.00 0.00 C ATOM 0 H ALA A 2 48.999 -1.784 14.065 1.00 0.00 H new ATOM 0 HA ALA A 2 50.534 -0.015 12.479 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.823 -0.524 13.278 1.00 0.00 H new ATOM 0 HB2 ALA A 2 51.894 0.348 14.520 1.00 0.00 H new ATOM 0 HB3 ALA A 2 52.144 -1.408 14.666 1.00 0.00 H new ATOM 28 N GLU A 3 51.827 -2.285 11.594 1.00 0.00 N ATOM 29 CA GLU A 3 51.992 -3.545 10.815 1.00 0.00 C ATOM 30 C GLU A 3 53.401 -4.100 11.030 1.00 0.00 C ATOM 31 O GLU A 3 53.649 -4.848 11.955 1.00 0.00 O ATOM 32 CB GLU A 3 51.780 -3.256 9.327 1.00 0.00 C ATOM 33 CG GLU A 3 52.163 -4.490 8.507 1.00 0.00 C ATOM 34 CD GLU A 3 50.927 -5.027 7.784 1.00 0.00 C ATOM 35 OE1 GLU A 3 49.845 -4.909 8.336 1.00 0.00 O ATOM 36 OE2 GLU A 3 51.083 -5.548 6.692 1.00 0.00 O ATOM 0 H GLU A 3 52.547 -1.579 11.438 1.00 0.00 H new ATOM 0 HA GLU A 3 51.259 -4.278 11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 3 50.739 -2.992 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 3 52.384 -2.402 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 3 52.937 -4.233 7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 3 52.578 -5.258 9.159 1.00 0.00 H new ATOM 43 N ASP A 4 54.328 -3.743 10.182 1.00 0.00 N ATOM 44 CA ASP A 4 55.718 -4.256 10.340 1.00 0.00 C ATOM 45 C ASP A 4 56.715 -3.133 10.050 1.00 0.00 C ATOM 46 O ASP A 4 57.776 -3.359 9.501 1.00 0.00 O ATOM 47 CB ASP A 4 55.949 -5.409 9.360 1.00 0.00 C ATOM 48 CG ASP A 4 56.677 -6.548 10.076 1.00 0.00 C ATOM 49 OD1 ASP A 4 56.687 -6.544 11.296 1.00 0.00 O ATOM 50 OD2 ASP A 4 57.213 -7.405 9.392 1.00 0.00 O ATOM 0 H ASP A 4 54.182 -3.119 9.388 1.00 0.00 H new ATOM 0 HA ASP A 4 55.860 -4.611 11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 4 54.996 -5.763 8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 4 56.537 -5.065 8.509 1.00 0.00 H new ATOM 55 N TRP A 5 56.386 -1.924 10.413 1.00 0.00 N ATOM 56 CA TRP A 5 57.318 -0.790 10.159 1.00 0.00 C ATOM 57 C TRP A 5 58.685 -1.107 10.772 1.00 0.00 C ATOM 58 O TRP A 5 58.921 -0.869 11.940 1.00 0.00 O ATOM 59 CB TRP A 5 56.756 0.483 10.795 1.00 0.00 C ATOM 60 CG TRP A 5 55.372 0.728 10.284 1.00 0.00 C ATOM 61 CD1 TRP A 5 54.237 0.290 10.874 1.00 0.00 C ATOM 62 CD2 TRP A 5 54.959 1.461 9.094 1.00 0.00 C ATOM 63 NE1 TRP A 5 53.152 0.706 10.122 1.00 0.00 N ATOM 64 CE2 TRP A 5 53.547 1.430 9.014 1.00 0.00 C ATOM 65 CE3 TRP A 5 55.666 2.140 8.086 1.00 0.00 C ATOM 66 CZ2 TRP A 5 52.859 2.053 7.971 1.00 0.00 C ATOM 67 CZ3 TRP A 5 54.977 2.768 7.035 1.00 0.00 C ATOM 68 CH2 TRP A 5 53.577 2.724 6.978 1.00 0.00 C ATOM 0 H TRP A 5 55.512 -1.672 10.875 1.00 0.00 H new ATOM 0 HA TRP A 5 57.427 -0.642 9.085 1.00 0.00 H new ATOM 0 HB2 TRP A 5 56.742 0.384 11.880 1.00 0.00 H new ATOM 0 HB3 TRP A 5 57.397 1.333 10.561 1.00 0.00 H new ATOM 0 HD1 TRP A 5 54.185 -0.290 11.784 1.00 0.00 H new ATOM 0 HE1 TRP A 5 52.180 0.503 10.357 1.00 0.00 H new ATOM 0 HE3 TRP A 5 56.745 2.179 8.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 51.780 2.016 7.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 55.529 3.288 6.266 1.00 0.00 H new ATOM 0 HH2 TRP A 5 53.054 3.209 6.167 1.00 0.00 H new ATOM 79 N LEU A 6 59.587 -1.644 9.995 1.00 0.00 N ATOM 80 CA LEU A 6 60.935 -1.975 10.539 1.00 0.00 C ATOM 81 C LEU A 6 61.974 -1.014 9.957 1.00 0.00 C ATOM 82 O LEU A 6 61.750 -0.378 8.946 1.00 0.00 O ATOM 83 CB LEU A 6 61.301 -3.414 10.163 1.00 0.00 C ATOM 84 CG LEU A 6 60.369 -4.391 10.886 1.00 0.00 C ATOM 85 CD1 LEU A 6 60.942 -5.806 10.796 1.00 0.00 C ATOM 86 CD2 LEU A 6 60.245 -3.988 12.358 1.00 0.00 C ATOM 0 H LEU A 6 59.449 -1.867 9.009 1.00 0.00 H new ATOM 0 HA LEU A 6 60.920 -1.877 11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 6 61.220 -3.550 9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 6 62.337 -3.618 10.433 1.00 0.00 H new ATOM 0 HG LEU A 6 59.386 -4.365 10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 6 60.278 -6.501 11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 6 61.031 -6.097 9.749 1.00 0.00 H new ATOM 0 HD13 LEU A 6 61.926 -5.830 11.264 1.00 0.00 H new ATOM 0 HD21 LEU A 6 59.582 -4.684 12.871 1.00 0.00 H new ATOM 0 HD22 LEU A 6 61.229 -4.013 12.826 1.00 0.00 H new ATOM 0 HD23 LEU A 6 59.836 -2.980 12.426 1.00 0.00 H new ATOM 98 N ASP A 7 63.110 -0.902 10.592 1.00 0.00 N ATOM 99 CA ASP A 7 64.166 0.018 10.082 1.00 0.00 C ATOM 100 C ASP A 7 64.395 -0.240 8.591 1.00 0.00 C ATOM 101 O ASP A 7 64.576 -1.364 8.167 1.00 0.00 O ATOM 102 CB ASP A 7 65.468 -0.229 10.847 1.00 0.00 C ATOM 103 CG ASP A 7 65.854 1.035 11.618 1.00 0.00 C ATOM 104 OD1 ASP A 7 65.912 2.086 11.001 1.00 0.00 O ATOM 105 OD2 ASP A 7 66.086 0.931 12.811 1.00 0.00 O ATOM 0 H ASP A 7 63.352 -1.409 11.443 1.00 0.00 H new ATOM 0 HA ASP A 7 63.848 1.050 10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 7 65.345 -1.065 11.536 1.00 0.00 H new ATOM 0 HB3 ASP A 7 66.263 -0.502 10.154 1.00 0.00 H new ATOM 110 N CYS A 8 64.392 0.793 7.793 1.00 0.00 N ATOM 111 CA CYS A 8 64.613 0.605 6.332 1.00 0.00 C ATOM 112 C CYS A 8 66.119 0.486 6.055 1.00 0.00 C ATOM 113 O CYS A 8 66.858 1.426 6.272 1.00 0.00 O ATOM 114 CB CYS A 8 64.057 1.810 5.573 1.00 0.00 C ATOM 115 SG CYS A 8 64.528 1.683 3.831 1.00 0.00 S ATOM 0 H CYS A 8 64.246 1.758 8.090 1.00 0.00 H new ATOM 0 HA CYS A 8 64.105 -0.302 6.003 1.00 0.00 H new ATOM 0 HB2 CYS A 8 62.972 1.845 5.667 1.00 0.00 H new ATOM 0 HB3 CYS A 8 64.444 2.735 6.001 1.00 0.00 H new ATOM 0 HG CYS A 8 65.076 0.525 3.613 1.00 0.00 H new ATOM 121 N PRO A 9 66.533 -0.667 5.589 1.00 0.00 N ATOM 122 CA PRO A 9 67.950 -0.934 5.280 1.00 0.00 C ATOM 123 C PRO A 9 68.348 -0.313 3.936 1.00 0.00 C ATOM 124 O PRO A 9 69.289 0.451 3.855 1.00 0.00 O ATOM 125 CB PRO A 9 68.021 -2.462 5.215 1.00 0.00 C ATOM 126 CG PRO A 9 66.583 -2.954 4.922 1.00 0.00 C ATOM 127 CD PRO A 9 65.634 -1.811 5.328 1.00 0.00 C ATOM 0 HA PRO A 9 68.630 -0.506 6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 9 68.709 -2.786 4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 9 68.389 -2.874 6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 9 66.465 -3.199 3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 9 66.361 -3.860 5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 9 64.922 -1.584 4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 9 65.053 -2.071 6.213 1.00 0.00 H new ATOM 135 N ALA A 10 67.648 -0.645 2.882 1.00 0.00 N ATOM 136 CA ALA A 10 67.992 -0.083 1.541 1.00 0.00 C ATOM 137 C ALA A 10 68.383 1.391 1.673 1.00 0.00 C ATOM 138 O ALA A 10 69.459 1.795 1.278 1.00 0.00 O ATOM 139 CB ALA A 10 66.783 -0.201 0.611 1.00 0.00 C ATOM 0 H ALA A 10 66.852 -1.282 2.892 1.00 0.00 H new ATOM 0 HA ALA A 10 68.832 -0.642 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 10 67.035 0.209 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 10 66.507 -1.250 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 10 65.945 0.354 1.032 1.00 0.00 H new ATOM 145 N LEU A 11 67.517 2.197 2.222 1.00 0.00 N ATOM 146 CA LEU A 11 67.837 3.644 2.374 1.00 0.00 C ATOM 147 C LEU A 11 68.668 3.858 3.639 1.00 0.00 C ATOM 148 O LEU A 11 69.758 4.392 3.593 1.00 0.00 O ATOM 149 CB LEU A 11 66.538 4.447 2.478 1.00 0.00 C ATOM 150 CG LEU A 11 65.597 4.060 1.335 1.00 0.00 C ATOM 151 CD1 LEU A 11 64.492 5.110 1.210 1.00 0.00 C ATOM 152 CD2 LEU A 11 66.382 3.995 0.024 1.00 0.00 C ATOM 0 H LEU A 11 66.601 1.916 2.572 1.00 0.00 H new ATOM 0 HA LEU A 11 68.405 3.979 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 11 66.057 4.256 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 11 66.755 5.514 2.437 1.00 0.00 H new ATOM 0 HG LEU A 11 65.156 3.085 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 11 63.820 4.836 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 11 63.930 5.160 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 11 64.937 6.083 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.710 3.719 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 11 66.823 4.970 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 11 67.173 3.250 0.110 1.00 0.00 H new ATOM 164 N GLY A 12 68.164 3.450 4.770 1.00 0.00 N ATOM 165 CA GLY A 12 68.932 3.639 6.031 1.00 0.00 C ATOM 166 C GLY A 12 67.979 4.053 7.158 1.00 0.00 C ATOM 167 O GLY A 12 66.841 3.630 7.192 1.00 0.00 O ATOM 0 H GLY A 12 67.257 2.996 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 12 69.446 2.715 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 12 69.698 4.401 5.891 1.00 0.00 H new ATOM 171 N PRO A 13 68.479 4.871 8.050 1.00 0.00 N ATOM 172 CA PRO A 13 67.699 5.367 9.200 1.00 0.00 C ATOM 173 C PRO A 13 66.739 6.480 8.767 1.00 0.00 C ATOM 174 O PRO A 13 66.935 7.125 7.756 1.00 0.00 O ATOM 175 CB PRO A 13 68.770 5.911 10.151 1.00 0.00 C ATOM 176 CG PRO A 13 70.013 6.215 9.281 1.00 0.00 C ATOM 177 CD PRO A 13 69.866 5.378 7.996 1.00 0.00 C ATOM 0 HA PRO A 13 67.077 4.597 9.656 1.00 0.00 H new ATOM 0 HB2 PRO A 13 68.420 6.811 10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 13 69.007 5.182 10.926 1.00 0.00 H new ATOM 0 HG2 PRO A 13 70.071 7.278 9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 13 70.930 5.955 9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 13 70.034 5.983 7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 13 70.588 4.562 7.968 1.00 0.00 H new ATOM 185 N GLY A 14 65.705 6.712 9.530 1.00 0.00 N ATOM 186 CA GLY A 14 64.733 7.784 9.168 1.00 0.00 C ATOM 187 C GLY A 14 63.651 7.213 8.251 1.00 0.00 C ATOM 188 O GLY A 14 62.490 7.554 8.358 1.00 0.00 O ATOM 0 H GLY A 14 65.491 6.205 10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 14 64.279 8.195 10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 14 65.250 8.604 8.669 1.00 0.00 H new ATOM 192 N TRP A 15 64.022 6.349 7.348 1.00 0.00 N ATOM 193 CA TRP A 15 63.017 5.757 6.420 1.00 0.00 C ATOM 194 C TRP A 15 62.423 4.491 7.046 1.00 0.00 C ATOM 195 O TRP A 15 63.138 3.616 7.496 1.00 0.00 O ATOM 196 CB TRP A 15 63.704 5.400 5.099 1.00 0.00 C ATOM 197 CG TRP A 15 62.704 5.407 3.987 1.00 0.00 C ATOM 198 CD1 TRP A 15 62.322 4.319 3.281 1.00 0.00 C ATOM 199 CD2 TRP A 15 61.958 6.532 3.437 1.00 0.00 C ATOM 200 NE1 TRP A 15 61.396 4.706 2.332 1.00 0.00 N ATOM 201 CE2 TRP A 15 61.135 6.058 2.390 1.00 0.00 C ATOM 202 CE3 TRP A 15 61.916 7.901 3.741 1.00 0.00 C ATOM 203 CZ2 TRP A 15 60.300 6.912 1.670 1.00 0.00 C ATOM 204 CZ3 TRP A 15 61.077 8.767 3.018 1.00 0.00 C ATOM 205 CH2 TRP A 15 60.271 8.272 1.985 1.00 0.00 C ATOM 0 H TRP A 15 64.980 6.026 7.212 1.00 0.00 H new ATOM 0 HA TRP A 15 62.219 6.476 6.237 1.00 0.00 H new ATOM 0 HB2 TRP A 15 64.500 6.114 4.888 1.00 0.00 H new ATOM 0 HB3 TRP A 15 64.169 4.417 5.175 1.00 0.00 H new ATOM 0 HD1 TRP A 15 62.682 3.312 3.434 1.00 0.00 H new ATOM 0 HE1 TRP A 15 60.958 4.068 1.668 1.00 0.00 H new ATOM 0 HE3 TRP A 15 62.533 8.293 4.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 59.680 6.524 0.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 61.054 9.819 3.260 1.00 0.00 H new ATOM 0 HH2 TRP A 15 59.628 8.941 1.433 1.00 0.00 H new ATOM 216 N LYS A 16 61.121 4.382 7.073 1.00 0.00 N ATOM 217 CA LYS A 16 60.489 3.169 7.662 1.00 0.00 C ATOM 218 C LYS A 16 60.134 2.200 6.537 1.00 0.00 C ATOM 219 O LYS A 16 59.490 2.564 5.573 1.00 0.00 O ATOM 220 CB LYS A 16 59.218 3.564 8.416 1.00 0.00 C ATOM 221 CG LYS A 16 59.294 3.042 9.852 1.00 0.00 C ATOM 222 CD LYS A 16 60.129 4.002 10.701 1.00 0.00 C ATOM 223 CE LYS A 16 59.250 4.612 11.793 1.00 0.00 C ATOM 224 NZ LYS A 16 60.108 5.321 12.784 1.00 0.00 N ATOM 0 H LYS A 16 60.470 5.080 6.713 1.00 0.00 H new ATOM 0 HA LYS A 16 61.182 2.694 8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 16 59.105 4.648 8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 16 58.342 3.153 7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 16 58.292 2.949 10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 16 59.739 2.047 9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 16 60.969 3.471 11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 16 60.547 4.789 10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 16 58.534 5.307 11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 16 58.673 3.831 12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 59.510 5.736 13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 60.774 4.647 13.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 60.640 6.076 12.306 1.00 0.00 H new ATOM 238 N ARG A 17 60.554 0.970 6.642 1.00 0.00 N ATOM 239 CA ARG A 17 60.244 -0.010 5.567 1.00 0.00 C ATOM 240 C ARG A 17 59.182 -1.000 6.054 1.00 0.00 C ATOM 241 O ARG A 17 59.479 -1.956 6.743 1.00 0.00 O ATOM 242 CB ARG A 17 61.519 -0.770 5.191 1.00 0.00 C ATOM 243 CG ARG A 17 61.367 -1.373 3.793 1.00 0.00 C ATOM 244 CD ARG A 17 62.563 -0.967 2.928 1.00 0.00 C ATOM 245 NE ARG A 17 62.273 0.335 2.263 1.00 0.00 N ATOM 246 CZ ARG A 17 63.097 0.813 1.371 1.00 0.00 C ATOM 247 NH1 ARG A 17 63.925 0.017 0.750 1.00 0.00 N ATOM 248 NH2 ARG A 17 63.095 2.089 1.101 1.00 0.00 N ATOM 0 H ARG A 17 61.097 0.603 7.424 1.00 0.00 H new ATOM 0 HA ARG A 17 59.863 0.521 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 17 62.376 -0.097 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 17 61.712 -1.558 5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 17 61.305 -2.459 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 17 60.440 -1.028 3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 17 63.459 -0.882 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 17 62.762 -1.734 2.180 1.00 0.00 H new ATOM 0 HE ARG A 17 61.429 0.853 2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 17 63.929 -0.981 0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 17 64.568 0.393 0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 17 62.450 2.712 1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 17 63.739 2.464 0.404 1.00 0.00 H new ATOM 262 N ARG A 18 57.946 -0.780 5.695 1.00 0.00 N ATOM 263 CA ARG A 18 56.865 -1.711 6.128 1.00 0.00 C ATOM 264 C ARG A 18 56.529 -2.661 4.978 1.00 0.00 C ATOM 265 O ARG A 18 56.582 -2.292 3.821 1.00 0.00 O ATOM 266 CB ARG A 18 55.618 -0.909 6.507 1.00 0.00 C ATOM 267 CG ARG A 18 54.614 -1.831 7.200 1.00 0.00 C ATOM 268 CD ARG A 18 53.351 -1.944 6.344 1.00 0.00 C ATOM 269 NE ARG A 18 52.303 -1.033 6.884 1.00 0.00 N ATOM 270 CZ ARG A 18 51.068 -1.441 6.975 1.00 0.00 C ATOM 271 NH1 ARG A 18 50.627 -2.372 6.173 1.00 0.00 N ATOM 272 NH2 ARG A 18 50.273 -0.919 7.868 1.00 0.00 N ATOM 0 H ARG A 18 57.638 0.005 5.120 1.00 0.00 H new ATOM 0 HA ARG A 18 57.201 -2.284 6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.889 -0.085 7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 18 55.170 -0.469 5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 18 55.053 -2.817 7.351 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.364 -1.439 8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 18 53.575 -1.685 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 18 52.989 -2.972 6.344 1.00 0.00 H new ATOM 0 HE ARG A 18 52.552 -0.090 7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 18 51.249 -2.780 5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 18 49.661 -2.691 6.244 1.00 0.00 H new ATOM 0 HH21 ARG A 18 50.618 -0.192 8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 18 49.307 -1.238 7.939 1.00 0.00 H new ATOM 286 N GLU A 19 56.185 -3.883 5.281 1.00 0.00 N ATOM 287 CA GLU A 19 55.851 -4.851 4.197 1.00 0.00 C ATOM 288 C GLU A 19 54.430 -5.382 4.396 1.00 0.00 C ATOM 289 O GLU A 19 53.888 -5.347 5.482 1.00 0.00 O ATOM 290 CB GLU A 19 56.839 -6.018 4.236 1.00 0.00 C ATOM 291 CG GLU A 19 56.854 -6.625 5.640 1.00 0.00 C ATOM 292 CD GLU A 19 57.456 -8.030 5.583 1.00 0.00 C ATOM 293 OE1 GLU A 19 58.086 -8.344 4.586 1.00 0.00 O ATOM 294 OE2 GLU A 19 57.278 -8.768 6.538 1.00 0.00 O ATOM 0 H GLU A 19 56.121 -4.253 6.230 1.00 0.00 H new ATOM 0 HA GLU A 19 55.915 -4.347 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 19 56.555 -6.774 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.837 -5.673 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 19 57.436 -5.996 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 19 55.841 -6.668 6.040 1.00 0.00 H new ATOM 301 N VAL A 20 53.826 -5.878 3.350 1.00 0.00 N ATOM 302 CA VAL A 20 52.442 -6.415 3.469 1.00 0.00 C ATOM 303 C VAL A 20 52.324 -7.692 2.634 1.00 0.00 C ATOM 304 O VAL A 20 53.126 -7.946 1.757 1.00 0.00 O ATOM 305 CB VAL A 20 51.447 -5.373 2.955 1.00 0.00 C ATOM 306 CG1 VAL A 20 50.064 -5.648 3.547 1.00 0.00 C ATOM 307 CG2 VAL A 20 51.911 -3.976 3.376 1.00 0.00 C ATOM 0 H VAL A 20 54.233 -5.934 2.417 1.00 0.00 H new ATOM 0 HA VAL A 20 52.223 -6.640 4.513 1.00 0.00 H new ATOM 0 HB VAL A 20 51.393 -5.429 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 20 49.357 -4.905 3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 20 49.732 -6.643 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 20 50.116 -5.593 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 20 51.203 -3.232 3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 20 51.964 -3.923 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 20 52.896 -3.777 2.954 1.00 0.00 H new ATOM 317 N PHE A 21 51.335 -8.501 2.899 1.00 0.00 N ATOM 318 CA PHE A 21 51.175 -9.759 2.116 1.00 0.00 C ATOM 319 C PHE A 21 52.517 -10.491 2.054 1.00 0.00 C ATOM 320 O PHE A 21 52.797 -11.218 1.121 1.00 0.00 O ATOM 321 CB PHE A 21 50.712 -9.424 0.697 1.00 0.00 C ATOM 322 CG PHE A 21 49.226 -9.161 0.702 1.00 0.00 C ATOM 323 CD1 PHE A 21 48.364 -10.031 1.381 1.00 0.00 C ATOM 324 CD2 PHE A 21 48.709 -8.049 0.027 1.00 0.00 C ATOM 325 CE1 PHE A 21 46.985 -9.789 1.384 1.00 0.00 C ATOM 326 CE2 PHE A 21 47.330 -7.807 0.030 1.00 0.00 C ATOM 327 CZ PHE A 21 46.468 -8.677 0.708 1.00 0.00 C ATOM 0 H PHE A 21 50.632 -8.346 3.622 1.00 0.00 H new ATOM 0 HA PHE A 21 50.433 -10.395 2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 21 51.246 -8.549 0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 21 50.944 -10.249 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 21 48.763 -10.889 1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 21 49.374 -7.378 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 21 46.320 -10.460 1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 21 46.931 -6.949 -0.491 1.00 0.00 H new ATOM 0 HZ PHE A 21 45.404 -8.491 0.710 1.00 0.00 H new ATOM 337 N ARG A 22 53.351 -10.303 3.040 1.00 0.00 N ATOM 338 CA ARG A 22 54.676 -10.984 3.037 1.00 0.00 C ATOM 339 C ARG A 22 54.648 -12.169 4.006 1.00 0.00 C ATOM 340 O ARG A 22 55.187 -13.222 3.728 1.00 0.00 O ATOM 341 CB ARG A 22 55.755 -9.992 3.476 1.00 0.00 C ATOM 342 CG ARG A 22 57.006 -10.186 2.619 1.00 0.00 C ATOM 343 CD ARG A 22 57.987 -11.101 3.353 1.00 0.00 C ATOM 344 NE ARG A 22 57.850 -12.492 2.839 1.00 0.00 N ATOM 345 CZ ARG A 22 58.377 -13.487 3.500 1.00 0.00 C ATOM 346 NH1 ARG A 22 59.665 -13.523 3.708 1.00 0.00 N ATOM 347 NH2 ARG A 22 57.615 -14.444 3.954 1.00 0.00 N ATOM 0 H ARG A 22 53.172 -9.707 3.848 1.00 0.00 H new ATOM 0 HA ARG A 22 54.897 -11.345 2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 22 55.387 -8.971 3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 22 55.995 -10.142 4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 22 56.737 -10.621 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 22 57.473 -9.223 2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 22 59.008 -10.748 3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 22 57.790 -11.077 4.425 1.00 0.00 H new ATOM 0 HE ARG A 22 57.344 -12.667 1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 22 60.260 -12.774 3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 22 60.077 -14.300 4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 22 56.608 -14.414 3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 22 58.026 -15.222 4.470 1.00 0.00 H new ATOM 361 N LYS A 23 54.026 -12.007 5.140 1.00 0.00 N ATOM 362 CA LYS A 23 53.967 -13.126 6.122 1.00 0.00 C ATOM 363 C LYS A 23 52.880 -14.115 5.701 1.00 0.00 C ATOM 364 O LYS A 23 53.148 -15.110 5.056 1.00 0.00 O ATOM 365 CB LYS A 23 53.641 -12.569 7.509 1.00 0.00 C ATOM 366 CG LYS A 23 54.909 -12.557 8.366 1.00 0.00 C ATOM 367 CD LYS A 23 54.791 -13.608 9.470 1.00 0.00 C ATOM 368 CE LYS A 23 54.504 -14.975 8.846 1.00 0.00 C ATOM 369 NZ LYS A 23 54.953 -16.048 9.776 1.00 0.00 N ATOM 0 H LYS A 23 53.556 -11.149 5.430 1.00 0.00 H new ATOM 0 HA LYS A 23 54.930 -13.636 6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 23 53.239 -11.560 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 23 52.873 -13.178 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 23 55.781 -12.763 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 23 55.055 -11.570 8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 23 55.714 -13.647 10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 23 53.992 -13.337 10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 23 53.438 -15.078 8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 23 55.021 -15.067 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 54.758 -16.978 9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 55.974 -15.953 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 54.440 -15.963 10.677 1.00 0.00 H new ATOM 383 N SER A 24 51.653 -13.850 6.058 1.00 0.00 N ATOM 384 CA SER A 24 50.550 -14.775 5.677 1.00 0.00 C ATOM 385 C SER A 24 50.403 -14.793 4.154 1.00 0.00 C ATOM 386 O SER A 24 50.395 -13.763 3.510 1.00 0.00 O ATOM 387 CB SER A 24 49.242 -14.295 6.308 1.00 0.00 C ATOM 388 OG SER A 24 48.155 -14.646 5.461 1.00 0.00 O ATOM 0 H SER A 24 51.367 -13.033 6.597 1.00 0.00 H new ATOM 0 HA SER A 24 50.779 -15.780 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 24 49.112 -14.747 7.292 1.00 0.00 H new ATOM 0 HB3 SER A 24 49.270 -13.215 6.454 1.00 0.00 H new ATOM 0 HG SER A 24 47.315 -14.341 5.863 1.00 0.00 H new ATOM 394 N GLY A 25 50.287 -15.956 3.573 1.00 0.00 N ATOM 395 CA GLY A 25 50.140 -16.034 2.092 1.00 0.00 C ATOM 396 C GLY A 25 50.915 -17.242 1.562 1.00 0.00 C ATOM 397 O GLY A 25 51.876 -17.686 2.158 1.00 0.00 O ATOM 0 H GLY A 25 50.288 -16.853 4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 25 49.087 -16.119 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 25 50.513 -15.119 1.631 1.00 0.00 H new ATOM 401 N ALA A 26 50.504 -17.776 0.444 1.00 0.00 N ATOM 402 CA ALA A 26 51.216 -18.955 -0.126 1.00 0.00 C ATOM 403 C ALA A 26 52.706 -18.632 -0.267 1.00 0.00 C ATOM 404 O ALA A 26 53.130 -17.512 -0.065 1.00 0.00 O ATOM 405 CB ALA A 26 50.633 -19.285 -1.502 1.00 0.00 C ATOM 0 H ALA A 26 49.706 -17.447 -0.099 1.00 0.00 H new ATOM 0 HA ALA A 26 51.091 -19.811 0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 26 51.153 -20.147 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 26 49.572 -19.514 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 26 50.758 -18.429 -2.165 1.00 0.00 H new ATOM 411 N THR A 27 53.503 -19.606 -0.612 1.00 0.00 N ATOM 412 CA THR A 27 54.964 -19.355 -0.764 1.00 0.00 C ATOM 413 C THR A 27 55.190 -18.292 -1.842 1.00 0.00 C ATOM 414 O THR A 27 56.262 -17.730 -1.957 1.00 0.00 O ATOM 415 CB THR A 27 55.666 -20.657 -1.167 1.00 0.00 C ATOM 416 OG1 THR A 27 55.748 -21.516 -0.038 1.00 0.00 O ATOM 417 CG2 THR A 27 57.075 -20.349 -1.678 1.00 0.00 C ATOM 0 H THR A 27 53.206 -20.564 -0.795 1.00 0.00 H new ATOM 0 HA THR A 27 55.374 -19.001 0.182 1.00 0.00 H new ATOM 0 HB THR A 27 55.097 -21.145 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 27 56.195 -22.350 -0.293 1.00 0.00 H new ATOM 0 HG21 THR A 27 57.570 -21.277 -1.963 1.00 0.00 H new ATOM 0 HG22 THR A 27 57.012 -19.691 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 27 57.648 -19.859 -0.891 1.00 0.00 H new ATOM 425 N CYS A 28 54.190 -18.009 -2.632 1.00 0.00 N ATOM 426 CA CYS A 28 54.353 -16.981 -3.698 1.00 0.00 C ATOM 427 C CYS A 28 53.358 -15.844 -3.463 1.00 0.00 C ATOM 428 O CYS A 28 52.883 -15.219 -4.391 1.00 0.00 O ATOM 429 CB CYS A 28 54.093 -17.614 -5.066 1.00 0.00 C ATOM 430 SG CYS A 28 54.524 -16.432 -6.367 1.00 0.00 S ATOM 0 H CYS A 28 53.269 -18.445 -2.585 1.00 0.00 H new ATOM 0 HA CYS A 28 55.369 -16.587 -3.671 1.00 0.00 H new ATOM 0 HB2 CYS A 28 54.683 -18.524 -5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 28 53.045 -17.901 -5.153 1.00 0.00 H new ATOM 0 HG CYS A 28 54.033 -15.265 -6.073 1.00 0.00 H new ATOM 436 N GLY A 29 53.037 -15.572 -2.228 1.00 0.00 N ATOM 437 CA GLY A 29 52.072 -14.476 -1.931 1.00 0.00 C ATOM 438 C GLY A 29 52.735 -13.123 -2.195 1.00 0.00 C ATOM 439 O GLY A 29 53.488 -12.621 -1.384 1.00 0.00 O ATOM 0 H GLY A 29 53.402 -16.062 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 29 51.182 -14.583 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 29 51.746 -14.536 -0.893 1.00 0.00 H new ATOM 443 N ARG A 30 52.462 -12.528 -3.324 1.00 0.00 N ATOM 444 CA ARG A 30 53.077 -11.207 -3.637 1.00 0.00 C ATOM 445 C ARG A 30 52.948 -10.287 -2.422 1.00 0.00 C ATOM 446 O ARG A 30 51.860 -9.938 -2.007 1.00 0.00 O ATOM 447 CB ARG A 30 52.358 -10.577 -4.832 1.00 0.00 C ATOM 448 CG ARG A 30 53.200 -9.425 -5.383 1.00 0.00 C ATOM 449 CD ARG A 30 52.278 -8.357 -5.974 1.00 0.00 C ATOM 450 NE ARG A 30 52.434 -8.332 -7.455 1.00 0.00 N ATOM 451 CZ ARG A 30 51.379 -8.255 -8.221 1.00 0.00 C ATOM 452 NH1 ARG A 30 50.397 -9.100 -8.065 1.00 0.00 N ATOM 453 NH2 ARG A 30 51.306 -7.332 -9.140 1.00 0.00 N ATOM 0 H ARG A 30 51.840 -12.899 -4.042 1.00 0.00 H new ATOM 0 HA ARG A 30 54.130 -11.345 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 30 52.194 -11.325 -5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 30 51.377 -10.212 -4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 30 53.811 -8.995 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 30 53.884 -9.794 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 30 51.242 -8.569 -5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 30 52.520 -7.380 -5.555 1.00 0.00 H new ATOM 0 HE ARG A 30 53.364 -8.375 -7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 30 50.454 -9.820 -7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 30 49.573 -9.040 -8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 30 52.073 -6.670 -9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 30 50.482 -7.272 -9.738 1.00 0.00 H new ATOM 467 N SER A 31 54.050 -9.891 -1.848 1.00 0.00 N ATOM 468 CA SER A 31 53.991 -8.994 -0.660 1.00 0.00 C ATOM 469 C SER A 31 54.183 -7.543 -1.106 1.00 0.00 C ATOM 470 O SER A 31 55.181 -7.197 -1.706 1.00 0.00 O ATOM 471 CB SER A 31 55.103 -9.376 0.319 1.00 0.00 C ATOM 472 OG SER A 31 56.264 -8.607 0.035 1.00 0.00 O ATOM 0 H SER A 31 54.989 -10.150 -2.150 1.00 0.00 H new ATOM 0 HA SER A 31 53.022 -9.099 -0.172 1.00 0.00 H new ATOM 0 HB2 SER A 31 54.777 -9.199 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 31 55.328 -10.439 0.235 1.00 0.00 H new ATOM 0 HG SER A 31 56.254 -8.334 -0.906 1.00 0.00 H new ATOM 478 N ASP A 32 53.241 -6.689 -0.811 1.00 0.00 N ATOM 479 CA ASP A 32 53.381 -5.261 -1.213 1.00 0.00 C ATOM 480 C ASP A 32 54.308 -4.562 -0.219 1.00 0.00 C ATOM 481 O ASP A 32 54.476 -5.007 0.898 1.00 0.00 O ATOM 482 CB ASP A 32 52.008 -4.584 -1.195 1.00 0.00 C ATOM 483 CG ASP A 32 51.264 -4.901 -2.494 1.00 0.00 C ATOM 484 OD1 ASP A 32 51.617 -5.878 -3.133 1.00 0.00 O ATOM 485 OD2 ASP A 32 50.353 -4.160 -2.828 1.00 0.00 O ATOM 0 H ASP A 32 52.382 -6.918 -0.310 1.00 0.00 H new ATOM 0 HA ASP A 32 53.796 -5.198 -2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 32 51.430 -4.932 -0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.124 -3.506 -1.084 1.00 0.00 H new ATOM 490 N THR A 33 54.920 -3.479 -0.609 1.00 0.00 N ATOM 491 CA THR A 33 55.840 -2.780 0.331 1.00 0.00 C ATOM 492 C THR A 33 55.591 -1.272 0.292 1.00 0.00 C ATOM 493 O THR A 33 55.659 -0.644 -0.747 1.00 0.00 O ATOM 494 CB THR A 33 57.289 -3.067 -0.069 1.00 0.00 C ATOM 495 OG1 THR A 33 57.323 -4.181 -0.951 1.00 0.00 O ATOM 496 CG2 THR A 33 58.113 -3.377 1.182 1.00 0.00 C ATOM 0 H THR A 33 54.825 -3.050 -1.530 1.00 0.00 H new ATOM 0 HA THR A 33 55.657 -3.143 1.342 1.00 0.00 H new ATOM 0 HB THR A 33 57.709 -2.195 -0.570 1.00 0.00 H new ATOM 0 HG1 THR A 33 57.100 -4.997 -0.456 1.00 0.00 H new ATOM 0 HG21 THR A 33 59.145 -3.581 0.897 1.00 0.00 H new ATOM 0 HG22 THR A 33 58.086 -2.521 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 33 57.696 -4.249 1.685 1.00 0.00 H new ATOM 504 N TYR A 34 55.317 -0.686 1.424 1.00 0.00 N ATOM 505 CA TYR A 34 55.078 0.783 1.472 1.00 0.00 C ATOM 506 C TYR A 34 56.057 1.405 2.469 1.00 0.00 C ATOM 507 O TYR A 34 56.382 0.814 3.479 1.00 0.00 O ATOM 508 CB TYR A 34 53.642 1.059 1.923 1.00 0.00 C ATOM 509 CG TYR A 34 52.679 0.329 1.016 1.00 0.00 C ATOM 510 CD1 TYR A 34 52.973 0.185 -0.345 1.00 0.00 C ATOM 511 CD2 TYR A 34 51.492 -0.202 1.536 1.00 0.00 C ATOM 512 CE1 TYR A 34 52.080 -0.491 -1.186 1.00 0.00 C ATOM 513 CE2 TYR A 34 50.599 -0.877 0.695 1.00 0.00 C ATOM 514 CZ TYR A 34 50.893 -1.022 -0.666 1.00 0.00 C ATOM 515 OH TYR A 34 50.012 -1.687 -1.495 1.00 0.00 O ATOM 0 H TYR A 34 55.248 -1.164 2.322 1.00 0.00 H new ATOM 0 HA TYR A 34 55.227 1.215 0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 34 53.505 0.733 2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 34 53.441 2.130 1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 34 53.888 0.595 -0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 34 51.265 -0.091 2.586 1.00 0.00 H new ATOM 0 HE1 TYR A 34 52.307 -0.603 -2.236 1.00 0.00 H new ATOM 0 HE2 TYR A 34 49.683 -1.286 1.096 1.00 0.00 H new ATOM 0 HH TYR A 34 50.444 -2.490 -1.855 1.00 0.00 H new ATOM 525 N TYR A 35 56.541 2.583 2.193 1.00 0.00 N ATOM 526 CA TYR A 35 57.509 3.220 3.130 1.00 0.00 C ATOM 527 C TYR A 35 56.911 4.497 3.719 1.00 0.00 C ATOM 528 O TYR A 35 56.059 5.130 3.127 1.00 0.00 O ATOM 529 CB TYR A 35 58.792 3.565 2.376 1.00 0.00 C ATOM 530 CG TYR A 35 59.265 2.350 1.618 1.00 0.00 C ATOM 531 CD1 TYR A 35 59.039 1.074 2.143 1.00 0.00 C ATOM 532 CD2 TYR A 35 59.924 2.496 0.391 1.00 0.00 C ATOM 533 CE1 TYR A 35 59.472 -0.059 1.445 1.00 0.00 C ATOM 534 CE2 TYR A 35 60.357 1.363 -0.309 1.00 0.00 C ATOM 535 CZ TYR A 35 60.130 0.085 0.218 1.00 0.00 C ATOM 536 OH TYR A 35 60.556 -1.032 -0.471 1.00 0.00 O ATOM 0 H TYR A 35 56.310 3.131 1.364 1.00 0.00 H new ATOM 0 HA TYR A 35 57.730 2.524 3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 35 58.612 4.391 1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 35 59.561 3.894 3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 35 58.529 0.963 3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 35 60.098 3.481 -0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 35 59.299 -1.044 1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 35 60.866 1.474 -1.255 1.00 0.00 H new ATOM 0 HH TYR A 35 61.424 -0.849 -0.887 1.00 0.00 H new ATOM 546 N GLN A 36 57.363 4.881 4.880 1.00 0.00 N ATOM 547 CA GLN A 36 56.838 6.119 5.516 1.00 0.00 C ATOM 548 C GLN A 36 58.001 7.077 5.781 1.00 0.00 C ATOM 549 O GLN A 36 58.933 6.756 6.494 1.00 0.00 O ATOM 550 CB GLN A 36 56.152 5.763 6.840 1.00 0.00 C ATOM 551 CG GLN A 36 55.937 7.033 7.668 1.00 0.00 C ATOM 552 CD GLN A 36 54.600 6.945 8.406 1.00 0.00 C ATOM 553 OE1 GLN A 36 53.900 7.930 8.541 1.00 0.00 O ATOM 554 NE2 GLN A 36 54.213 5.799 8.895 1.00 0.00 N ATOM 0 H GLN A 36 58.076 4.388 5.417 1.00 0.00 H new ATOM 0 HA GLN A 36 56.115 6.595 4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 36 55.196 5.278 6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 36 56.763 5.053 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 36 56.751 7.155 8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 36 55.949 7.909 7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 36 54.800 4.972 8.782 1.00 0.00 H new ATOM 0 HE22 GLN A 36 53.324 5.730 9.390 1.00 0.00 H new ATOM 563 N SER A 37 57.953 8.249 5.213 1.00 0.00 N ATOM 564 CA SER A 37 59.053 9.227 5.433 1.00 0.00 C ATOM 565 C SER A 37 59.020 9.696 6.891 1.00 0.00 C ATOM 566 O SER A 37 58.067 9.436 7.599 1.00 0.00 O ATOM 567 CB SER A 37 58.859 10.425 4.504 1.00 0.00 C ATOM 568 OG SER A 37 58.164 10.005 3.337 1.00 0.00 O ATOM 0 H SER A 37 57.199 8.572 4.606 1.00 0.00 H new ATOM 0 HA SER A 37 60.014 8.758 5.221 1.00 0.00 H new ATOM 0 HB2 SER A 37 58.298 11.208 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.825 10.850 4.233 1.00 0.00 H new ATOM 0 HG SER A 37 57.201 10.131 3.467 1.00 0.00 H new ATOM 574 N PRO A 38 60.063 10.372 7.295 1.00 0.00 N ATOM 575 CA PRO A 38 60.185 10.894 8.667 1.00 0.00 C ATOM 576 C PRO A 38 59.344 12.163 8.837 1.00 0.00 C ATOM 577 O PRO A 38 59.387 12.814 9.862 1.00 0.00 O ATOM 578 CB PRO A 38 61.679 11.202 8.801 1.00 0.00 C ATOM 579 CG PRO A 38 62.221 11.376 7.362 1.00 0.00 C ATOM 580 CD PRO A 38 61.217 10.679 6.425 1.00 0.00 C ATOM 0 HA PRO A 38 59.830 10.196 9.425 1.00 0.00 H new ATOM 0 HB2 PRO A 38 61.838 12.107 9.388 1.00 0.00 H new ATOM 0 HB3 PRO A 38 62.197 10.393 9.316 1.00 0.00 H new ATOM 0 HG2 PRO A 38 62.317 12.432 7.110 1.00 0.00 H new ATOM 0 HG3 PRO A 38 63.212 10.933 7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 38 60.930 11.326 5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 38 61.640 9.773 5.990 1.00 0.00 H new ATOM 588 N THR A 39 58.576 12.519 7.843 1.00 0.00 N ATOM 589 CA THR A 39 57.734 13.744 7.953 1.00 0.00 C ATOM 590 C THR A 39 56.255 13.355 7.887 1.00 0.00 C ATOM 591 O THR A 39 55.392 14.085 8.331 1.00 0.00 O ATOM 592 CB THR A 39 58.064 14.696 6.801 1.00 0.00 C ATOM 593 OG1 THR A 39 57.354 15.915 6.978 1.00 0.00 O ATOM 594 CG2 THR A 39 57.658 14.055 5.474 1.00 0.00 C ATOM 0 H THR A 39 58.495 12.015 6.960 1.00 0.00 H new ATOM 0 HA THR A 39 57.937 14.240 8.902 1.00 0.00 H new ATOM 0 HB THR A 39 59.135 14.897 6.791 1.00 0.00 H new ATOM 0 HG1 THR A 39 57.565 16.527 6.242 1.00 0.00 H new ATOM 0 HG21 THR A 39 57.894 14.734 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 39 58.203 13.121 5.339 1.00 0.00 H new ATOM 0 HG23 THR A 39 56.587 13.852 5.481 1.00 0.00 H new ATOM 602 N GLY A 40 55.955 12.211 7.335 1.00 0.00 N ATOM 603 CA GLY A 40 54.531 11.780 7.242 1.00 0.00 C ATOM 604 C GLY A 40 54.144 11.604 5.773 1.00 0.00 C ATOM 605 O GLY A 40 52.980 11.537 5.431 1.00 0.00 O ATOM 0 H GLY A 40 56.633 11.557 6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 40 54.388 10.844 7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 40 53.885 12.521 7.713 1.00 0.00 H new ATOM 609 N ASP A 41 55.112 11.527 4.900 1.00 0.00 N ATOM 610 CA ASP A 41 54.800 11.353 3.454 1.00 0.00 C ATOM 611 C ASP A 41 54.896 9.870 3.091 1.00 0.00 C ATOM 612 O ASP A 41 55.970 9.309 3.012 1.00 0.00 O ATOM 613 CB ASP A 41 55.801 12.150 2.616 1.00 0.00 C ATOM 614 CG ASP A 41 55.261 13.562 2.381 1.00 0.00 C ATOM 615 OD1 ASP A 41 54.167 13.676 1.854 1.00 0.00 O ATOM 616 OD2 ASP A 41 55.951 14.504 2.733 1.00 0.00 O ATOM 0 H ASP A 41 56.105 11.577 5.127 1.00 0.00 H new ATOM 0 HA ASP A 41 53.791 11.714 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 41 56.763 12.197 3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 41 55.971 11.651 1.662 1.00 0.00 H new ATOM 621 N ARG A 42 53.783 9.228 2.874 1.00 0.00 N ATOM 622 CA ARG A 42 53.819 7.780 2.521 1.00 0.00 C ATOM 623 C ARG A 42 53.975 7.623 1.007 1.00 0.00 C ATOM 624 O ARG A 42 53.283 8.253 0.232 1.00 0.00 O ATOM 625 CB ARG A 42 52.520 7.110 2.976 1.00 0.00 C ATOM 626 CG ARG A 42 51.332 8.014 2.642 1.00 0.00 C ATOM 627 CD ARG A 42 50.919 8.794 3.891 1.00 0.00 C ATOM 628 NE ARG A 42 49.470 8.570 4.158 1.00 0.00 N ATOM 629 CZ ARG A 42 48.670 9.589 4.316 1.00 0.00 C ATOM 630 NH1 ARG A 42 48.854 10.676 3.618 1.00 0.00 N ATOM 631 NH2 ARG A 42 47.689 9.521 5.173 1.00 0.00 N ATOM 0 H ARG A 42 52.852 9.641 2.925 1.00 0.00 H new ATOM 0 HA ARG A 42 54.665 7.307 3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.405 6.145 2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.554 6.919 4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.600 8.704 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.496 7.415 2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.512 8.472 4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.114 9.857 3.750 1.00 0.00 H new ATOM 0 HE ARG A 42 49.103 7.620 4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 42 49.623 10.729 2.950 1.00 0.00 H new ATOM 0 HH12 ARG A 42 48.229 11.473 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 42 47.547 8.672 5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 42 47.064 10.317 5.297 1.00 0.00 H new ATOM 645 N ILE A 43 54.881 6.785 0.581 1.00 0.00 N ATOM 646 CA ILE A 43 55.087 6.583 -0.881 1.00 0.00 C ATOM 647 C ILE A 43 55.079 5.084 -1.189 1.00 0.00 C ATOM 648 O ILE A 43 55.450 4.272 -0.366 1.00 0.00 O ATOM 649 CB ILE A 43 56.432 7.180 -1.289 1.00 0.00 C ATOM 650 CG1 ILE A 43 56.451 8.670 -0.939 1.00 0.00 C ATOM 651 CG2 ILE A 43 56.632 7.007 -2.795 1.00 0.00 C ATOM 652 CD1 ILE A 43 57.419 8.908 0.221 1.00 0.00 C ATOM 0 H ILE A 43 55.489 6.231 1.184 1.00 0.00 H new ATOM 0 HA ILE A 43 54.288 7.074 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 43 57.235 6.669 -0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 43 56.756 9.255 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 43 55.450 9.003 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 43 57.592 7.433 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 43 56.615 5.946 -3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 43 55.831 7.518 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 43 57.433 9.969 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 43 57.094 8.335 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 43 58.420 8.590 -0.070 1.00 0.00 H new ATOM 664 N ARG A 44 54.651 4.706 -2.365 1.00 0.00 N ATOM 665 CA ARG A 44 54.614 3.254 -2.711 1.00 0.00 C ATOM 666 C ARG A 44 55.010 3.053 -4.177 1.00 0.00 C ATOM 667 O ARG A 44 54.887 1.972 -4.718 1.00 0.00 O ATOM 668 CB ARG A 44 53.198 2.715 -2.490 1.00 0.00 C ATOM 669 CG ARG A 44 52.694 3.148 -1.112 1.00 0.00 C ATOM 670 CD ARG A 44 51.171 3.014 -1.060 1.00 0.00 C ATOM 671 NE ARG A 44 50.552 4.120 -1.845 1.00 0.00 N ATOM 672 CZ ARG A 44 49.271 4.355 -1.753 1.00 0.00 C ATOM 673 NH1 ARG A 44 48.555 3.738 -0.852 1.00 0.00 N ATOM 674 NH2 ARG A 44 48.705 5.208 -2.562 1.00 0.00 N ATOM 0 H ARG A 44 54.327 5.337 -3.098 1.00 0.00 H new ATOM 0 HA ARG A 44 55.317 2.718 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 44 52.530 3.088 -3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 44 53.196 1.628 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 44 53.150 2.533 -0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 44 52.986 4.179 -0.914 1.00 0.00 H new ATOM 0 HD2 ARG A 44 50.865 2.050 -1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 44 50.826 3.049 -0.026 1.00 0.00 H new ATOM 0 HE ARG A 44 51.131 4.695 -2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 44 48.996 3.071 -0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 44 47.554 3.923 -0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 44 49.263 5.691 -3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 44 47.704 5.392 -2.491 1.00 0.00 H new ATOM 688 N SER A 45 55.485 4.081 -4.827 1.00 0.00 N ATOM 689 CA SER A 45 55.887 3.936 -6.256 1.00 0.00 C ATOM 690 C SER A 45 57.396 3.707 -6.338 1.00 0.00 C ATOM 691 O SER A 45 57.995 3.803 -7.391 1.00 0.00 O ATOM 692 CB SER A 45 55.513 5.205 -7.022 1.00 0.00 C ATOM 693 OG SER A 45 56.497 5.466 -8.013 1.00 0.00 O ATOM 0 H SER A 45 55.612 5.013 -4.432 1.00 0.00 H new ATOM 0 HA SER A 45 55.369 3.085 -6.698 1.00 0.00 H new ATOM 0 HB2 SER A 45 54.535 5.087 -7.488 1.00 0.00 H new ATOM 0 HB3 SER A 45 55.439 6.049 -6.336 1.00 0.00 H new ATOM 0 HG SER A 45 56.886 4.620 -8.319 1.00 0.00 H new ATOM 699 N LYS A 46 58.011 3.396 -5.232 1.00 0.00 N ATOM 700 CA LYS A 46 59.479 3.150 -5.235 1.00 0.00 C ATOM 701 C LYS A 46 60.221 4.421 -5.651 1.00 0.00 C ATOM 702 O LYS A 46 60.519 5.267 -4.837 1.00 0.00 O ATOM 703 CB LYS A 46 59.806 2.023 -6.217 1.00 0.00 C ATOM 704 CG LYS A 46 61.323 1.905 -6.355 1.00 0.00 C ATOM 705 CD LYS A 46 61.693 0.478 -6.760 1.00 0.00 C ATOM 706 CE LYS A 46 61.566 0.327 -8.277 1.00 0.00 C ATOM 707 NZ LYS A 46 62.918 0.120 -8.871 1.00 0.00 N ATOM 0 H LYS A 46 57.558 3.301 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 46 59.795 2.864 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 46 59.386 1.082 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 46 59.355 2.227 -7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 46 61.686 2.611 -7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 46 61.805 2.162 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 46 62.712 0.252 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 46 61.039 -0.235 -6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 46 60.919 -0.517 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 46 61.102 1.216 -8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 62.834 0.034 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 63.527 0.931 -8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 63.338 -0.750 -8.485 1.00 0.00 H new ATOM 721 N VAL A 47 60.532 4.563 -6.908 1.00 0.00 N ATOM 722 CA VAL A 47 61.266 5.782 -7.349 1.00 0.00 C ATOM 723 C VAL A 47 60.521 7.028 -6.868 1.00 0.00 C ATOM 724 O VAL A 47 61.121 8.043 -6.574 1.00 0.00 O ATOM 725 CB VAL A 47 61.374 5.800 -8.873 1.00 0.00 C ATOM 726 CG1 VAL A 47 61.863 7.175 -9.333 1.00 0.00 C ATOM 727 CG2 VAL A 47 62.372 4.727 -9.320 1.00 0.00 C ATOM 0 H VAL A 47 60.312 3.893 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 47 62.269 5.773 -6.922 1.00 0.00 H new ATOM 0 HB VAL A 47 60.397 5.598 -9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 47 61.940 7.189 -10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 47 61.156 7.939 -9.010 1.00 0.00 H new ATOM 0 HG13 VAL A 47 62.841 7.378 -8.897 1.00 0.00 H new ATOM 0 HG21 VAL A 47 62.453 4.736 -10.407 1.00 0.00 H new ATOM 0 HG22 VAL A 47 63.349 4.933 -8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 47 62.026 3.748 -8.990 1.00 0.00 H new ATOM 737 N GLU A 48 59.220 6.964 -6.777 1.00 0.00 N ATOM 738 CA GLU A 48 58.460 8.153 -6.305 1.00 0.00 C ATOM 739 C GLU A 48 59.043 8.611 -4.969 1.00 0.00 C ATOM 740 O GLU A 48 59.281 9.784 -4.756 1.00 0.00 O ATOM 741 CB GLU A 48 56.982 7.796 -6.128 1.00 0.00 C ATOM 742 CG GLU A 48 56.177 9.076 -5.891 1.00 0.00 C ATOM 743 CD GLU A 48 54.743 8.717 -5.496 1.00 0.00 C ATOM 744 OE1 GLU A 48 54.496 7.551 -5.236 1.00 0.00 O ATOM 745 OE2 GLU A 48 53.917 9.614 -5.461 1.00 0.00 O ATOM 0 H GLU A 48 58.656 6.146 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 48 58.540 8.954 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 48 56.612 7.279 -7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 48 56.859 7.114 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 48 56.643 9.670 -5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 48 56.174 9.688 -6.793 1.00 0.00 H new ATOM 752 N LEU A 49 59.291 7.697 -4.068 1.00 0.00 N ATOM 753 CA LEU A 49 59.874 8.097 -2.759 1.00 0.00 C ATOM 754 C LEU A 49 61.333 8.495 -2.978 1.00 0.00 C ATOM 755 O LEU A 49 61.875 9.324 -2.273 1.00 0.00 O ATOM 756 CB LEU A 49 59.783 6.935 -1.764 1.00 0.00 C ATOM 757 CG LEU A 49 60.771 5.832 -2.144 1.00 0.00 C ATOM 758 CD1 LEU A 49 61.845 5.710 -1.063 1.00 0.00 C ATOM 759 CD2 LEU A 49 60.019 4.504 -2.265 1.00 0.00 C ATOM 0 H LEU A 49 59.116 6.699 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 49 59.320 8.941 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 49 59.996 7.292 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 49 58.769 6.536 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 49 61.243 6.077 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 49 62.548 4.923 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.378 6.657 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 49 61.376 5.463 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 49 60.718 3.713 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 49 59.551 4.263 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 49 59.252 4.589 -3.035 1.00 0.00 H new ATOM 771 N THR A 50 61.968 7.924 -3.967 1.00 0.00 N ATOM 772 CA THR A 50 63.385 8.286 -4.248 1.00 0.00 C ATOM 773 C THR A 50 63.444 9.772 -4.607 1.00 0.00 C ATOM 774 O THR A 50 64.021 10.573 -3.900 1.00 0.00 O ATOM 775 CB THR A 50 63.906 7.450 -5.425 1.00 0.00 C ATOM 776 OG1 THR A 50 64.253 6.155 -4.964 1.00 0.00 O ATOM 777 CG2 THR A 50 65.142 8.115 -6.036 1.00 0.00 C ATOM 0 H THR A 50 61.566 7.224 -4.591 1.00 0.00 H new ATOM 0 HA THR A 50 64.003 8.088 -3.372 1.00 0.00 H new ATOM 0 HB THR A 50 63.126 7.378 -6.183 1.00 0.00 H new ATOM 0 HG1 THR A 50 64.198 5.518 -5.706 1.00 0.00 H new ATOM 0 HG21 THR A 50 65.504 7.514 -6.870 1.00 0.00 H new ATOM 0 HG22 THR A 50 64.880 9.111 -6.393 1.00 0.00 H new ATOM 0 HG23 THR A 50 65.923 8.194 -5.280 1.00 0.00 H new ATOM 785 N ARG A 51 62.845 10.141 -5.706 1.00 0.00 N ATOM 786 CA ARG A 51 62.859 11.572 -6.118 1.00 0.00 C ATOM 787 C ARG A 51 62.332 12.432 -4.969 1.00 0.00 C ATOM 788 O ARG A 51 62.641 13.602 -4.864 1.00 0.00 O ATOM 789 CB ARG A 51 61.981 11.772 -7.359 1.00 0.00 C ATOM 790 CG ARG A 51 60.832 10.761 -7.359 1.00 0.00 C ATOM 791 CD ARG A 51 59.548 11.452 -7.820 1.00 0.00 C ATOM 792 NE ARG A 51 59.795 12.150 -9.115 1.00 0.00 N ATOM 793 CZ ARG A 51 60.552 11.595 -10.023 1.00 0.00 C ATOM 794 NH1 ARG A 51 60.450 10.317 -10.268 1.00 0.00 N ATOM 795 NH2 ARG A 51 61.412 12.320 -10.686 1.00 0.00 N ATOM 0 H ARG A 51 62.347 9.513 -6.336 1.00 0.00 H new ATOM 0 HA ARG A 51 63.880 11.867 -6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 51 61.583 12.787 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 51 62.581 11.653 -8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 51 61.067 9.927 -8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 51 60.697 10.347 -6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 51 58.750 10.719 -7.936 1.00 0.00 H new ATOM 0 HD3 ARG A 51 59.217 12.167 -7.067 1.00 0.00 H new ATOM 0 HE ARG A 51 59.372 13.061 -9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 51 59.778 9.750 -9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 51 61.042 9.885 -10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 51 61.492 13.319 -10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 51 62.004 11.888 -11.395 1.00 0.00 H new ATOM 809 N TYR A 52 61.544 11.859 -4.099 1.00 0.00 N ATOM 810 CA TYR A 52 61.008 12.645 -2.954 1.00 0.00 C ATOM 811 C TYR A 52 62.148 12.945 -1.979 1.00 0.00 C ATOM 812 O TYR A 52 62.565 14.076 -1.824 1.00 0.00 O ATOM 813 CB TYR A 52 59.926 11.838 -2.235 1.00 0.00 C ATOM 814 CG TYR A 52 59.506 12.572 -0.984 1.00 0.00 C ATOM 815 CD1 TYR A 52 59.059 13.895 -1.068 1.00 0.00 C ATOM 816 CD2 TYR A 52 59.566 11.930 0.259 1.00 0.00 C ATOM 817 CE1 TYR A 52 58.672 14.579 0.091 1.00 0.00 C ATOM 818 CE2 TYR A 52 59.178 12.613 1.418 1.00 0.00 C ATOM 819 CZ TYR A 52 58.731 13.938 1.334 1.00 0.00 C ATOM 820 OH TYR A 52 58.349 14.611 2.477 1.00 0.00 O ATOM 0 H TYR A 52 61.250 10.883 -4.133 1.00 0.00 H new ATOM 0 HA TYR A 52 60.577 13.577 -3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 52 59.068 11.693 -2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 52 60.303 10.848 -1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 52 59.012 14.389 -2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 52 59.911 10.909 0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 52 58.328 15.601 0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 52 59.223 12.118 2.377 1.00 0.00 H new ATOM 0 HH TYR A 52 57.438 14.955 2.365 1.00 0.00 H new ATOM 830 N LEU A 53 62.660 11.939 -1.325 1.00 0.00 N ATOM 831 CA LEU A 53 63.777 12.164 -0.367 1.00 0.00 C ATOM 832 C LEU A 53 64.813 13.090 -1.007 1.00 0.00 C ATOM 833 O LEU A 53 65.417 13.914 -0.348 1.00 0.00 O ATOM 834 CB LEU A 53 64.433 10.824 -0.026 1.00 0.00 C ATOM 835 CG LEU A 53 63.368 9.843 0.465 1.00 0.00 C ATOM 836 CD1 LEU A 53 63.432 8.559 -0.364 1.00 0.00 C ATOM 837 CD2 LEU A 53 63.626 9.510 1.934 1.00 0.00 C ATOM 0 H LEU A 53 62.352 10.971 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 53 63.391 12.622 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 53 64.937 10.420 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 53 65.194 10.965 0.742 1.00 0.00 H new ATOM 0 HG LEU A 53 62.382 10.295 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 53 62.672 7.861 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 53 63.252 8.794 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 53 64.418 8.106 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 53 62.868 8.811 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 53 64.613 9.058 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 53 63.581 10.423 2.527 1.00 0.00 H new ATOM 849 N GLY A 54 65.023 12.960 -2.288 1.00 0.00 N ATOM 850 CA GLY A 54 66.021 13.829 -2.974 1.00 0.00 C ATOM 851 C GLY A 54 67.201 12.973 -3.444 1.00 0.00 C ATOM 852 O GLY A 54 67.068 11.777 -3.612 1.00 0.00 O ATOM 0 H GLY A 54 64.546 12.289 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 54 65.559 14.331 -3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.369 14.608 -2.295 1.00 0.00 H new ATOM 856 N PRO A 55 68.324 13.615 -3.640 1.00 0.00 N ATOM 857 CA PRO A 55 69.555 12.941 -4.089 1.00 0.00 C ATOM 858 C PRO A 55 70.220 12.203 -2.922 1.00 0.00 C ATOM 859 O PRO A 55 71.305 11.671 -3.050 1.00 0.00 O ATOM 860 CB PRO A 55 70.434 14.095 -4.581 1.00 0.00 C ATOM 861 CG PRO A 55 69.913 15.372 -3.881 1.00 0.00 C ATOM 862 CD PRO A 55 68.471 15.070 -3.431 1.00 0.00 C ATOM 0 HA PRO A 55 69.377 12.189 -4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 55 71.481 13.917 -4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 55 70.373 14.194 -5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 55 70.540 15.629 -3.027 1.00 0.00 H new ATOM 0 HG3 PRO A 55 69.936 16.224 -4.561 1.00 0.00 H new ATOM 0 HD2 PRO A 55 68.315 15.340 -2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 55 67.745 15.632 -4.018 1.00 0.00 H new ATOM 870 N ALA A 56 69.577 12.165 -1.785 1.00 0.00 N ATOM 871 CA ALA A 56 70.175 11.462 -0.615 1.00 0.00 C ATOM 872 C ALA A 56 69.832 9.970 -0.681 1.00 0.00 C ATOM 873 O ALA A 56 70.497 9.145 -0.086 1.00 0.00 O ATOM 874 CB ALA A 56 69.614 12.058 0.678 1.00 0.00 C ATOM 0 H ALA A 56 68.665 12.590 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 56 71.258 11.585 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 56 70.051 11.545 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 56 69.860 13.119 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 56 68.531 11.936 0.695 1.00 0.00 H new ATOM 880 N CYS A 57 68.799 9.613 -1.398 1.00 0.00 N ATOM 881 CA CYS A 57 68.422 8.172 -1.496 1.00 0.00 C ATOM 882 C CYS A 57 68.091 7.824 -2.949 1.00 0.00 C ATOM 883 O CYS A 57 67.877 8.693 -3.772 1.00 0.00 O ATOM 884 CB CYS A 57 67.198 7.901 -0.619 1.00 0.00 C ATOM 885 SG CYS A 57 67.702 7.833 1.119 1.00 0.00 S ATOM 0 H CYS A 57 68.201 10.255 -1.919 1.00 0.00 H new ATOM 0 HA CYS A 57 69.257 7.559 -1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 57 66.454 8.685 -0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 57 66.730 6.960 -0.910 1.00 0.00 H new ATOM 0 HG CYS A 57 68.902 8.317 1.242 1.00 0.00 H new ATOM 891 N ASP A 58 68.046 6.559 -3.272 1.00 0.00 N ATOM 892 CA ASP A 58 67.726 6.157 -4.672 1.00 0.00 C ATOM 893 C ASP A 58 67.087 4.767 -4.669 1.00 0.00 C ATOM 894 O ASP A 58 67.355 3.951 -3.810 1.00 0.00 O ATOM 895 CB ASP A 58 69.012 6.123 -5.499 1.00 0.00 C ATOM 896 CG ASP A 58 70.068 5.295 -4.764 1.00 0.00 C ATOM 897 OD1 ASP A 58 69.733 4.718 -3.742 1.00 0.00 O ATOM 898 OD2 ASP A 58 71.193 5.253 -5.234 1.00 0.00 O ATOM 0 H ASP A 58 68.217 5.787 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 58 67.032 6.876 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.815 5.692 -6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 58 69.378 7.136 -5.664 1.00 0.00 H new ATOM 903 N LEU A 59 66.242 4.491 -5.625 1.00 0.00 N ATOM 904 CA LEU A 59 65.588 3.155 -5.676 1.00 0.00 C ATOM 905 C LEU A 59 65.429 2.717 -7.133 1.00 0.00 C ATOM 906 O LEU A 59 64.734 1.767 -7.432 1.00 0.00 O ATOM 907 CB LEU A 59 64.208 3.233 -5.022 1.00 0.00 C ATOM 908 CG LEU A 59 64.354 3.172 -3.501 1.00 0.00 C ATOM 909 CD1 LEU A 59 64.324 4.588 -2.924 1.00 0.00 C ATOM 910 CD2 LEU A 59 63.195 2.364 -2.917 1.00 0.00 C ATOM 0 H LEU A 59 65.977 5.133 -6.372 1.00 0.00 H new ATOM 0 HA LEU A 59 66.206 2.433 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.709 4.158 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 59 63.583 2.411 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 59 65.302 2.698 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 59 64.428 4.541 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 59 65.146 5.169 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 59 63.377 5.064 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.294 2.317 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.251 2.844 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 59 63.213 1.354 -3.327 1.00 0.00 H new ATOM 922 N THR A 60 66.068 3.398 -8.042 1.00 0.00 N ATOM 923 CA THR A 60 65.950 3.012 -9.476 1.00 0.00 C ATOM 924 C THR A 60 66.117 1.496 -9.610 1.00 0.00 C ATOM 925 O THR A 60 65.359 0.835 -10.292 1.00 0.00 O ATOM 926 CB THR A 60 67.037 3.724 -10.284 1.00 0.00 C ATOM 927 OG1 THR A 60 67.166 5.061 -9.823 1.00 0.00 O ATOM 928 CG2 THR A 60 66.655 3.727 -11.765 1.00 0.00 C ATOM 0 H THR A 60 66.666 4.203 -7.855 1.00 0.00 H new ATOM 0 HA THR A 60 64.970 3.302 -9.855 1.00 0.00 H new ATOM 0 HB THR A 60 67.986 3.202 -10.158 1.00 0.00 H new ATOM 0 HG1 THR A 60 67.863 5.519 -10.338 1.00 0.00 H new ATOM 0 HG21 THR A 60 67.430 4.234 -12.340 1.00 0.00 H new ATOM 0 HG22 THR A 60 66.556 2.700 -12.117 1.00 0.00 H new ATOM 0 HG23 THR A 60 65.707 4.249 -11.895 1.00 0.00 H new ATOM 936 N LEU A 61 67.105 0.940 -8.961 1.00 0.00 N ATOM 937 CA LEU A 61 67.325 -0.534 -9.046 1.00 0.00 C ATOM 938 C LEU A 61 66.787 -1.205 -7.780 1.00 0.00 C ATOM 939 O LEU A 61 66.871 -2.406 -7.617 1.00 0.00 O ATOM 940 CB LEU A 61 68.825 -0.817 -9.167 1.00 0.00 C ATOM 941 CG LEU A 61 69.293 -0.533 -10.598 1.00 0.00 C ATOM 942 CD1 LEU A 61 68.839 -1.668 -11.518 1.00 0.00 C ATOM 943 CD2 LEU A 61 68.691 0.790 -11.085 1.00 0.00 C ATOM 0 H LEU A 61 67.771 1.444 -8.375 1.00 0.00 H new ATOM 0 HA LEU A 61 66.804 -0.929 -9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 61 69.379 -0.196 -8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 61 69.031 -1.855 -8.907 1.00 0.00 H new ATOM 0 HG LEU A 61 70.381 -0.463 -10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 61 69.172 -1.466 -12.536 1.00 0.00 H new ATOM 0 HD12 LEU A 61 69.270 -2.609 -11.175 1.00 0.00 H new ATOM 0 HD13 LEU A 61 67.751 -1.739 -11.499 1.00 0.00 H new ATOM 0 HD21 LEU A 61 69.026 0.989 -12.103 1.00 0.00 H new ATOM 0 HD22 LEU A 61 67.603 0.723 -11.067 1.00 0.00 H new ATOM 0 HD23 LEU A 61 69.015 1.600 -10.431 1.00 0.00 H new ATOM 955 N PHE A 62 66.242 -0.435 -6.881 1.00 0.00 N ATOM 956 CA PHE A 62 65.704 -1.015 -5.621 1.00 0.00 C ATOM 957 C PHE A 62 64.499 -1.904 -5.929 1.00 0.00 C ATOM 958 O PHE A 62 63.649 -1.563 -6.726 1.00 0.00 O ATOM 959 CB PHE A 62 65.279 0.123 -4.691 1.00 0.00 C ATOM 960 CG PHE A 62 64.499 -0.434 -3.528 1.00 0.00 C ATOM 961 CD1 PHE A 62 65.174 -1.007 -2.445 1.00 0.00 C ATOM 962 CD2 PHE A 62 63.100 -0.374 -3.529 1.00 0.00 C ATOM 963 CE1 PHE A 62 64.452 -1.522 -1.363 1.00 0.00 C ATOM 964 CE2 PHE A 62 62.377 -0.888 -2.447 1.00 0.00 C ATOM 965 CZ PHE A 62 63.053 -1.462 -1.363 1.00 0.00 C ATOM 0 H PHE A 62 66.146 0.577 -6.966 1.00 0.00 H new ATOM 0 HA PHE A 62 66.474 -1.618 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 62 66.158 0.657 -4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 62 64.671 0.844 -5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 62 66.253 -1.052 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 62 62.579 0.069 -4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 62 64.974 -1.966 -0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 62 61.298 -0.842 -2.448 1.00 0.00 H new ATOM 0 HZ PHE A 62 62.495 -1.858 -0.527 1.00 0.00 H new ATOM 975 N ASP A 63 64.418 -3.043 -5.299 1.00 0.00 N ATOM 976 CA ASP A 63 63.266 -3.952 -5.549 1.00 0.00 C ATOM 977 C ASP A 63 62.137 -3.604 -4.580 1.00 0.00 C ATOM 978 O ASP A 63 62.248 -3.803 -3.386 1.00 0.00 O ATOM 979 CB ASP A 63 63.701 -5.402 -5.331 1.00 0.00 C ATOM 980 CG ASP A 63 63.529 -6.188 -6.632 1.00 0.00 C ATOM 981 OD1 ASP A 63 62.685 -5.804 -7.426 1.00 0.00 O ATOM 982 OD2 ASP A 63 64.244 -7.159 -6.814 1.00 0.00 O ATOM 0 H ASP A 63 65.100 -3.383 -4.622 1.00 0.00 H new ATOM 0 HA ASP A 63 62.919 -3.833 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 63 64.742 -5.436 -5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 63 63.106 -5.856 -4.538 1.00 0.00 H new ATOM 987 N PHE A 64 61.052 -3.078 -5.080 1.00 0.00 N ATOM 988 CA PHE A 64 59.922 -2.711 -4.182 1.00 0.00 C ATOM 989 C PHE A 64 59.267 -3.989 -3.653 1.00 0.00 C ATOM 990 O PHE A 64 58.094 -4.231 -3.860 1.00 0.00 O ATOM 991 CB PHE A 64 58.894 -1.894 -4.968 1.00 0.00 C ATOM 992 CG PHE A 64 58.396 -0.750 -4.118 1.00 0.00 C ATOM 993 CD1 PHE A 64 59.301 0.198 -3.622 1.00 0.00 C ATOM 994 CD2 PHE A 64 57.031 -0.631 -3.830 1.00 0.00 C ATOM 995 CE1 PHE A 64 58.841 1.263 -2.839 1.00 0.00 C ATOM 996 CE2 PHE A 64 56.572 0.435 -3.047 1.00 0.00 C ATOM 997 CZ PHE A 64 57.476 1.382 -2.551 1.00 0.00 C ATOM 0 H PHE A 64 60.900 -2.887 -6.070 1.00 0.00 H new ATOM 0 HA PHE A 64 60.292 -2.117 -3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 64 59.343 -1.510 -5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 64 58.060 -2.530 -5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 64 60.354 0.107 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 64 56.333 -1.361 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 64 59.539 1.993 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 64 55.519 0.527 -2.825 1.00 0.00 H new ATOM 0 HZ PHE A 64 57.121 2.204 -1.947 1.00 0.00 H new ATOM 1007 N LYS A 65 60.020 -4.809 -2.973 1.00 0.00 N ATOM 1008 CA LYS A 65 59.451 -6.074 -2.431 1.00 0.00 C ATOM 1009 C LYS A 65 60.544 -6.830 -1.673 1.00 0.00 C ATOM 1010 O LYS A 65 60.310 -7.395 -0.624 1.00 0.00 O ATOM 1011 CB LYS A 65 58.940 -6.939 -3.585 1.00 0.00 C ATOM 1012 CG LYS A 65 57.411 -6.994 -3.546 1.00 0.00 C ATOM 1013 CD LYS A 65 56.852 -6.684 -4.937 1.00 0.00 C ATOM 1014 CE LYS A 65 57.530 -7.580 -5.975 1.00 0.00 C ATOM 1015 NZ LYS A 65 57.636 -8.968 -5.441 1.00 0.00 N ATOM 0 H LYS A 65 61.008 -4.657 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 65 58.625 -5.847 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 65 59.275 -6.528 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 65 59.352 -7.945 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 65 57.080 -7.981 -3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 65 57.029 -6.275 -2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 65 55.774 -6.846 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 65 57.020 -5.635 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 65 56.957 -7.579 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 65 58.521 -7.194 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 57.601 -9.647 -6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 58.536 -9.076 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 56.845 -9.151 -4.791 1.00 0.00 H new ATOM 1029 N GLN A 66 61.740 -6.842 -2.198 1.00 0.00 N ATOM 1030 CA GLN A 66 62.852 -7.557 -1.510 1.00 0.00 C ATOM 1031 C GLN A 66 63.566 -6.591 -0.561 1.00 0.00 C ATOM 1032 O GLN A 66 64.107 -6.987 0.452 1.00 0.00 O ATOM 1033 CB GLN A 66 63.844 -8.080 -2.551 1.00 0.00 C ATOM 1034 CG GLN A 66 63.099 -8.924 -3.588 1.00 0.00 C ATOM 1035 CD GLN A 66 63.924 -10.168 -3.922 1.00 0.00 C ATOM 1036 OE1 GLN A 66 63.467 -11.280 -3.744 1.00 0.00 O ATOM 1037 NE2 GLN A 66 65.129 -10.028 -4.402 1.00 0.00 N ATOM 0 H GLN A 66 61.994 -6.387 -3.075 1.00 0.00 H new ATOM 0 HA GLN A 66 62.450 -8.395 -0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 66 64.348 -7.246 -3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 66 64.615 -8.678 -2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 66 62.122 -9.215 -3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 66 62.923 -8.338 -4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 66 65.513 -9.095 -4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 66 65.687 -10.852 -4.628 1.00 0.00 H new ATOM 1046 N GLY A 67 63.567 -5.324 -0.878 1.00 0.00 N ATOM 1047 CA GLY A 67 64.240 -4.331 0.009 1.00 0.00 C ATOM 1048 C GLY A 67 65.720 -4.219 -0.362 1.00 0.00 C ATOM 1049 O GLY A 67 66.566 -4.009 0.485 1.00 0.00 O ATOM 0 H GLY A 67 63.131 -4.933 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 67 63.757 -3.358 -0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 67 64.139 -4.635 1.051 1.00 0.00 H new ATOM 1053 N ILE A 68 66.045 -4.358 -1.619 1.00 0.00 N ATOM 1054 CA ILE A 68 67.475 -4.258 -2.028 1.00 0.00 C ATOM 1055 C ILE A 68 67.588 -3.510 -3.361 1.00 0.00 C ATOM 1056 O ILE A 68 66.667 -3.485 -4.152 1.00 0.00 O ATOM 1057 CB ILE A 68 68.056 -5.664 -2.180 1.00 0.00 C ATOM 1058 CG1 ILE A 68 67.361 -6.375 -3.345 1.00 0.00 C ATOM 1059 CG2 ILE A 68 67.825 -6.452 -0.890 1.00 0.00 C ATOM 1060 CD1 ILE A 68 68.413 -7.025 -4.246 1.00 0.00 C ATOM 0 H ILE A 68 65.386 -4.536 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 68 68.030 -3.711 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 68 69.126 -5.599 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 68 66.674 -7.131 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 68 66.767 -5.663 -3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 68 68.239 -7.455 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 68 68.316 -5.944 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 68 66.755 -6.520 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 68 67.919 -7.531 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 68 69.082 -6.258 -4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 68 68.988 -7.750 -3.670 1.00 0.00 H new ATOM 1072 N LEU A 69 68.721 -2.912 -3.615 1.00 0.00 N ATOM 1073 CA LEU A 69 68.918 -2.174 -4.894 1.00 0.00 C ATOM 1074 C LEU A 69 70.361 -2.378 -5.359 1.00 0.00 C ATOM 1075 O LEU A 69 71.267 -2.488 -4.557 1.00 0.00 O ATOM 1076 CB LEU A 69 68.656 -0.681 -4.676 1.00 0.00 C ATOM 1077 CG LEU A 69 69.703 -0.110 -3.719 1.00 0.00 C ATOM 1078 CD1 LEU A 69 69.796 1.405 -3.913 1.00 0.00 C ATOM 1079 CD2 LEU A 69 69.291 -0.415 -2.278 1.00 0.00 C ATOM 0 H LEU A 69 69.524 -2.904 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 69 68.226 -2.549 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 69 68.693 -0.152 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 69 67.656 -0.533 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 69 70.673 -0.563 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.542 1.814 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.085 1.623 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 69 68.827 1.859 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 69 70.036 -0.009 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 69 68.322 0.040 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 69 69.221 -1.494 -2.140 1.00 0.00 H new ATOM 1091 N CYS A 70 70.589 -2.436 -6.641 1.00 0.00 N ATOM 1092 CA CYS A 70 71.981 -2.642 -7.132 1.00 0.00 C ATOM 1093 C CYS A 70 72.392 -1.480 -8.037 1.00 0.00 C ATOM 1094 O CYS A 70 71.563 -0.798 -8.606 1.00 0.00 O ATOM 1095 CB CYS A 70 72.055 -3.952 -7.917 1.00 0.00 C ATOM 1096 SG CYS A 70 72.395 -5.317 -6.778 1.00 0.00 S ATOM 0 H CYS A 70 69.877 -2.350 -7.367 1.00 0.00 H new ATOM 0 HA CYS A 70 72.659 -2.687 -6.280 1.00 0.00 H new ATOM 0 HB2 CYS A 70 71.116 -4.127 -8.442 1.00 0.00 H new ATOM 0 HB3 CYS A 70 72.837 -3.892 -8.674 1.00 0.00 H new ATOM 0 HG CYS A 70 72.456 -6.432 -7.443 1.00 0.00 H new ATOM 1102 N TYR A 71 73.670 -1.251 -8.172 1.00 0.00 N ATOM 1103 CA TYR A 71 74.144 -0.137 -9.039 1.00 0.00 C ATOM 1104 C TYR A 71 75.467 -0.540 -9.702 1.00 0.00 C ATOM 1105 O TYR A 71 76.514 -0.446 -9.093 1.00 0.00 O ATOM 1106 CB TYR A 71 74.361 1.115 -8.185 1.00 0.00 C ATOM 1107 CG TYR A 71 75.423 0.842 -7.146 1.00 0.00 C ATOM 1108 CD1 TYR A 71 75.180 -0.082 -6.123 1.00 0.00 C ATOM 1109 CD2 TYR A 71 76.651 1.513 -7.207 1.00 0.00 C ATOM 1110 CE1 TYR A 71 76.165 -0.336 -5.161 1.00 0.00 C ATOM 1111 CE2 TYR A 71 77.635 1.260 -6.244 1.00 0.00 C ATOM 1112 CZ TYR A 71 77.392 0.336 -5.221 1.00 0.00 C ATOM 1113 OH TYR A 71 78.362 0.086 -4.272 1.00 0.00 O ATOM 0 H TYR A 71 74.408 -1.789 -7.718 1.00 0.00 H new ATOM 0 HA TYR A 71 73.400 0.073 -9.807 1.00 0.00 H new ATOM 0 HB2 TYR A 71 74.662 1.951 -8.817 1.00 0.00 H new ATOM 0 HB3 TYR A 71 73.428 1.402 -7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 71 74.233 -0.599 -6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 71 76.839 2.225 -7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 71 75.978 -1.050 -4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.582 1.778 -6.290 1.00 0.00 H new ATOM 0 HH TYR A 71 79.152 0.634 -4.460 1.00 0.00 H new ATOM 1123 N PRO A 72 75.380 -0.980 -10.933 1.00 0.00 N ATOM 1124 CA PRO A 72 76.560 -1.409 -11.705 1.00 0.00 C ATOM 1125 C PRO A 72 77.341 -0.192 -12.204 1.00 0.00 C ATOM 1126 O PRO A 72 77.082 0.331 -13.270 1.00 0.00 O ATOM 1127 CB PRO A 72 75.960 -2.196 -12.874 1.00 0.00 C ATOM 1128 CG PRO A 72 74.500 -1.707 -13.023 1.00 0.00 C ATOM 1129 CD PRO A 72 74.103 -1.087 -11.670 1.00 0.00 C ATOM 0 HA PRO A 72 77.264 -2.001 -11.121 1.00 0.00 H new ATOM 0 HB2 PRO A 72 76.524 -2.021 -13.790 1.00 0.00 H new ATOM 0 HB3 PRO A 72 75.993 -3.268 -12.679 1.00 0.00 H new ATOM 0 HG2 PRO A 72 74.417 -0.973 -13.825 1.00 0.00 H new ATOM 0 HG3 PRO A 72 73.838 -2.535 -13.279 1.00 0.00 H new ATOM 0 HD2 PRO A 72 73.635 -0.111 -11.801 1.00 0.00 H new ATOM 0 HD3 PRO A 72 73.388 -1.715 -11.139 1.00 0.00 H new ATOM 1137 N ALA A 73 78.295 0.265 -11.440 1.00 0.00 N ATOM 1138 CA ALA A 73 79.090 1.449 -11.869 1.00 0.00 C ATOM 1139 C ALA A 73 78.141 2.557 -12.336 1.00 0.00 C ATOM 1140 O ALA A 73 77.778 2.614 -13.494 1.00 0.00 O ATOM 1141 CB ALA A 73 80.017 1.053 -13.020 1.00 0.00 C ATOM 0 H ALA A 73 78.558 -0.131 -10.537 1.00 0.00 H new ATOM 0 HA ALA A 73 79.687 1.809 -11.031 1.00 0.00 H new ATOM 0 HB1 ALA A 73 80.599 1.920 -13.334 1.00 0.00 H new ATOM 0 HB2 ALA A 73 80.692 0.264 -12.689 1.00 0.00 H new ATOM 0 HB3 ALA A 73 79.422 0.693 -13.859 1.00 0.00 H new ATOM 1147 N PRO A 74 77.769 3.407 -11.414 1.00 0.00 N ATOM 1148 CA PRO A 74 76.861 4.533 -11.693 1.00 0.00 C ATOM 1149 C PRO A 74 77.617 5.662 -12.398 1.00 0.00 C ATOM 1150 O PRO A 74 77.853 6.713 -11.834 1.00 0.00 O ATOM 1151 CB PRO A 74 76.391 4.969 -10.302 1.00 0.00 C ATOM 1152 CG PRO A 74 77.459 4.465 -9.302 1.00 0.00 C ATOM 1153 CD PRO A 74 78.219 3.327 -10.008 1.00 0.00 C ATOM 0 HA PRO A 74 76.033 4.267 -12.350 1.00 0.00 H new ATOM 0 HB2 PRO A 74 76.290 6.053 -10.248 1.00 0.00 H new ATOM 0 HB3 PRO A 74 75.413 4.546 -10.072 1.00 0.00 H new ATOM 0 HG2 PRO A 74 78.139 5.270 -9.022 1.00 0.00 H new ATOM 0 HG3 PRO A 74 76.993 4.108 -8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 74 79.298 3.459 -9.927 1.00 0.00 H new ATOM 0 HD3 PRO A 74 77.982 2.358 -9.569 1.00 0.00 H new ATOM 1161 N LYS A 75 78.002 5.451 -13.627 1.00 0.00 N ATOM 1162 CA LYS A 75 78.744 6.507 -14.370 1.00 0.00 C ATOM 1163 C LYS A 75 77.787 7.235 -15.316 1.00 0.00 C ATOM 1164 O LYS A 75 77.842 8.453 -15.360 1.00 0.00 O ATOM 1165 CB LYS A 75 79.870 5.861 -15.181 1.00 0.00 C ATOM 1166 CG LYS A 75 81.182 5.960 -14.400 1.00 0.00 C ATOM 1167 CD LYS A 75 82.304 5.291 -15.196 1.00 0.00 C ATOM 1168 CE LYS A 75 83.247 4.566 -14.234 1.00 0.00 C ATOM 1169 NZ LYS A 75 84.337 3.908 -15.008 1.00 0.00 N ATOM 1170 OXT LYS A 75 77.018 6.562 -15.982 1.00 0.00 O ATOM 0 H LYS A 75 77.834 4.591 -14.149 1.00 0.00 H new ATOM 0 HA LYS A 75 79.167 7.221 -13.663 1.00 0.00 H new ATOM 0 HB2 LYS A 75 79.633 4.817 -15.384 1.00 0.00 H new ATOM 0 HB3 LYS A 75 79.970 6.359 -16.145 1.00 0.00 H new ATOM 0 HG2 LYS A 75 81.428 7.005 -14.213 1.00 0.00 H new ATOM 0 HG3 LYS A 75 81.075 5.479 -13.428 1.00 0.00 H new ATOM 0 HD2 LYS A 75 81.885 4.585 -15.913 1.00 0.00 H new ATOM 0 HD3 LYS A 75 82.854 6.038 -15.768 1.00 0.00 H new ATOM 0 HE2 LYS A 75 83.669 5.273 -13.520 1.00 0.00 H new ATOM 0 HE3 LYS A 75 82.695 3.823 -13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 84.978 3.415 -14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 83.926 3.222 -15.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 84.869 4.627 -15.538 1.00 0.00 H new TER 1184 LYS A 75