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 -7:sc= -4.79! 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 70:sc= 0.644 USER MOD Single : A 27 THR OG1 : rot -47:sc= 1.01 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -82:sc= 0.978 USER MOD Single : A 33 THR OG1 : rot -160:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 95:sc= 0.726 USER MOD Single : A 36 GLN : amide:sc=-0.00878 X(o=-0.0088,f=0) USER MOD Single : A 37 SER OG : rot 113:sc= -4.54! USER MOD Single : A 39 THR OG1 : rot -30:sc= 0.0169 USER MOD Single : A 45 SER OG : rot -110:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 65:sc= -4.91! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 110:sc= -0.741 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 65 LYS NZ :NH3+ -137:sc= 0.728 (180deg=-1.57!) USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-0.56,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 46.718 5.665 12.852 1.00 0.00 N ATOM 2 CA MET A 1 47.171 6.921 12.189 1.00 0.00 C ATOM 3 C MET A 1 47.341 6.676 10.688 1.00 0.00 C ATOM 4 O MET A 1 48.442 6.555 10.190 1.00 0.00 O ATOM 5 CB MET A 1 48.509 7.361 12.789 1.00 0.00 C ATOM 6 CG MET A 1 48.615 8.886 12.738 1.00 0.00 C ATOM 7 SD MET A 1 50.181 9.407 13.480 1.00 0.00 S ATOM 8 CE MET A 1 49.728 11.134 13.775 1.00 0.00 C ATOM 0 H1 MET A 1 46.603 5.833 13.872 1.00 0.00 H new ATOM 0 H2 MET A 1 45.809 5.366 12.445 1.00 0.00 H new ATOM 0 H3 MET A 1 47.426 4.918 12.702 1.00 0.00 H new ATOM 0 HA MET A 1 46.427 7.702 12.346 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.589 7.015 13.819 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.333 6.910 12.236 1.00 0.00 H new ATOM 0 HG2 MET A 1 48.557 9.231 11.706 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.779 9.337 13.272 1.00 0.00 H new ATOM 0 HE1 MET A 1 50.566 11.656 14.238 1.00 0.00 H new ATOM 0 HE2 MET A 1 49.481 11.612 12.827 1.00 0.00 H new ATOM 0 HE3 MET A 1 48.864 11.175 14.438 1.00 0.00 H new ATOM 18 N ALA A 2 46.258 6.602 9.963 1.00 0.00 N ATOM 19 CA ALA A 2 46.361 6.366 8.496 1.00 0.00 C ATOM 20 C ALA A 2 47.029 5.014 8.243 1.00 0.00 C ATOM 21 O ALA A 2 46.372 4.021 8.002 1.00 0.00 O ATOM 22 CB ALA A 2 47.198 7.477 7.858 1.00 0.00 C ATOM 0 H ALA A 2 45.308 6.695 10.323 1.00 0.00 H new ATOM 0 HA ALA A 2 45.363 6.366 8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 2 47.274 7.305 6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 2 46.721 8.441 8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 2 48.196 7.478 8.296 1.00 0.00 H new ATOM 28 N GLU A 3 48.332 4.966 8.298 1.00 0.00 N ATOM 29 CA GLU A 3 49.039 3.675 8.062 1.00 0.00 C ATOM 30 C GLU A 3 49.944 3.368 9.257 1.00 0.00 C ATOM 31 O GLU A 3 49.982 4.102 10.224 1.00 0.00 O ATOM 32 CB GLU A 3 49.885 3.779 6.791 1.00 0.00 C ATOM 33 CG GLU A 3 49.044 3.363 5.583 1.00 0.00 C ATOM 34 CD GLU A 3 48.845 1.847 5.596 1.00 0.00 C ATOM 35 OE1 GLU A 3 49.822 1.139 5.414 1.00 0.00 O ATOM 36 OE2 GLU A 3 47.718 1.418 5.787 1.00 0.00 O ATOM 0 H GLU A 3 48.937 5.763 8.496 1.00 0.00 H new ATOM 0 HA GLU A 3 48.308 2.875 7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 3 50.244 4.800 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 3 50.764 3.140 6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 3 48.078 3.867 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 3 49.538 3.667 4.660 1.00 0.00 H new ATOM 43 N ASP A 4 50.673 2.286 9.201 1.00 0.00 N ATOM 44 CA ASP A 4 51.572 1.936 10.337 1.00 0.00 C ATOM 45 C ASP A 4 52.977 1.636 9.808 1.00 0.00 C ATOM 46 O ASP A 4 53.334 0.499 9.572 1.00 0.00 O ATOM 47 CB ASP A 4 51.025 0.704 11.060 1.00 0.00 C ATOM 48 CG ASP A 4 51.119 0.917 12.572 1.00 0.00 C ATOM 49 OD1 ASP A 4 52.073 1.545 13.003 1.00 0.00 O ATOM 50 OD2 ASP A 4 50.237 0.450 13.273 1.00 0.00 O ATOM 0 H ASP A 4 50.685 1.631 8.419 1.00 0.00 H new ATOM 0 HA ASP A 4 51.619 2.775 11.032 1.00 0.00 H new ATOM 0 HB2 ASP A 4 49.989 0.529 10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 4 51.591 -0.182 10.771 1.00 0.00 H new ATOM 55 N TRP A 5 53.775 2.650 9.624 1.00 0.00 N ATOM 56 CA TRP A 5 55.156 2.438 9.115 1.00 0.00 C ATOM 57 C TRP A 5 55.885 1.439 10.018 1.00 0.00 C ATOM 58 O TRP A 5 55.862 1.553 11.228 1.00 0.00 O ATOM 59 CB TRP A 5 55.903 3.774 9.123 1.00 0.00 C ATOM 60 CG TRP A 5 55.133 4.783 8.327 1.00 0.00 C ATOM 61 CD1 TRP A 5 54.087 5.509 8.786 1.00 0.00 C ATOM 62 CD2 TRP A 5 55.335 5.189 6.946 1.00 0.00 C ATOM 63 NE1 TRP A 5 53.633 6.331 7.771 1.00 0.00 N ATOM 64 CE2 TRP A 5 54.373 6.171 6.616 1.00 0.00 C ATOM 65 CE3 TRP A 5 56.253 4.800 5.960 1.00 0.00 C ATOM 66 CZ2 TRP A 5 54.324 6.748 5.347 1.00 0.00 C ATOM 67 CZ3 TRP A 5 56.210 5.378 4.680 1.00 0.00 C ATOM 68 CH2 TRP A 5 55.247 6.351 4.374 1.00 0.00 C ATOM 0 H TRP A 5 53.527 3.623 9.806 1.00 0.00 H new ATOM 0 HA TRP A 5 55.118 2.045 8.099 1.00 0.00 H new ATOM 0 HB2 TRP A 5 56.032 4.125 10.147 1.00 0.00 H new ATOM 0 HB3 TRP A 5 56.900 3.647 8.702 1.00 0.00 H new ATOM 0 HD1 TRP A 5 53.674 5.455 9.783 1.00 0.00 H new ATOM 0 HE1 TRP A 5 52.848 6.976 7.864 1.00 0.00 H new ATOM 0 HE3 TRP A 5 56.998 4.051 6.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 53.579 7.496 5.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 56.922 5.072 3.928 1.00 0.00 H new ATOM 0 HH2 TRP A 5 55.218 6.793 3.389 1.00 0.00 H new ATOM 79 N LEU A 6 56.531 0.461 9.443 1.00 0.00 N ATOM 80 CA LEU A 6 57.259 -0.540 10.275 1.00 0.00 C ATOM 81 C LEU A 6 58.749 -0.506 9.925 1.00 0.00 C ATOM 82 O LEU A 6 59.147 0.051 8.922 1.00 0.00 O ATOM 83 CB LEU A 6 56.701 -1.938 9.996 1.00 0.00 C ATOM 84 CG LEU A 6 55.173 -1.883 9.962 1.00 0.00 C ATOM 85 CD1 LEU A 6 54.616 -3.288 9.728 1.00 0.00 C ATOM 86 CD2 LEU A 6 54.652 -1.345 11.297 1.00 0.00 C ATOM 0 H LEU A 6 56.586 0.312 8.435 1.00 0.00 H new ATOM 0 HA LEU A 6 57.128 -0.301 11.330 1.00 0.00 H new ATOM 0 HB2 LEU A 6 57.083 -2.310 9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 6 57.033 -2.634 10.767 1.00 0.00 H new ATOM 0 HG LEU A 6 54.852 -1.226 9.154 1.00 0.00 H new ATOM 0 HD11 LEU A 6 53.527 -3.248 9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 6 54.986 -3.673 8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 6 54.937 -3.946 10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 6 53.563 -1.306 11.273 1.00 0.00 H new ATOM 0 HD22 LEU A 6 54.974 -2.002 12.105 1.00 0.00 H new ATOM 0 HD23 LEU A 6 55.048 -0.343 11.465 1.00 0.00 H new ATOM 98 N ASP A 7 59.578 -1.096 10.743 1.00 0.00 N ATOM 99 CA ASP A 7 61.039 -1.092 10.451 1.00 0.00 C ATOM 100 C ASP A 7 61.283 -1.679 9.058 1.00 0.00 C ATOM 101 O ASP A 7 60.761 -2.721 8.713 1.00 0.00 O ATOM 102 CB ASP A 7 61.773 -1.931 11.499 1.00 0.00 C ATOM 103 CG ASP A 7 61.803 -1.173 12.828 1.00 0.00 C ATOM 104 OD1 ASP A 7 62.388 -0.103 12.864 1.00 0.00 O ATOM 105 OD2 ASP A 7 61.241 -1.675 13.787 1.00 0.00 O ATOM 0 H ASP A 7 59.307 -1.580 11.599 1.00 0.00 H new ATOM 0 HA ASP A 7 61.413 -0.069 10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 7 61.273 -2.891 11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 7 62.789 -2.142 11.165 1.00 0.00 H new ATOM 110 N CYS A 8 62.068 -1.016 8.254 1.00 0.00 N ATOM 111 CA CYS A 8 62.342 -1.530 6.882 1.00 0.00 C ATOM 112 C CYS A 8 63.446 -2.596 6.941 1.00 0.00 C ATOM 113 O CYS A 8 64.560 -2.301 7.325 1.00 0.00 O ATOM 114 CB CYS A 8 62.807 -0.374 5.995 1.00 0.00 C ATOM 115 SG CYS A 8 63.124 -0.985 4.321 1.00 0.00 S ATOM 0 H CYS A 8 62.532 -0.139 8.488 1.00 0.00 H new ATOM 0 HA CYS A 8 61.433 -1.970 6.472 1.00 0.00 H new ATOM 0 HB2 CYS A 8 62.047 0.407 5.970 1.00 0.00 H new ATOM 0 HB3 CYS A 8 63.711 0.073 6.407 1.00 0.00 H new ATOM 0 HG CYS A 8 63.027 -2.281 4.307 1.00 0.00 H new ATOM 121 N PRO A 9 63.108 -3.804 6.560 1.00 0.00 N ATOM 122 CA PRO A 9 64.061 -4.928 6.560 1.00 0.00 C ATOM 123 C PRO A 9 64.978 -4.861 5.333 1.00 0.00 C ATOM 124 O PRO A 9 66.186 -4.934 5.447 1.00 0.00 O ATOM 125 CB PRO A 9 63.158 -6.163 6.496 1.00 0.00 C ATOM 126 CG PRO A 9 61.813 -5.690 5.896 1.00 0.00 C ATOM 127 CD PRO A 9 61.752 -4.164 6.099 1.00 0.00 C ATOM 0 HA PRO A 9 64.719 -4.928 7.429 1.00 0.00 H new ATOM 0 HB2 PRO A 9 63.607 -6.941 5.878 1.00 0.00 H new ATOM 0 HB3 PRO A 9 63.012 -6.589 7.489 1.00 0.00 H new ATOM 0 HG2 PRO A 9 61.751 -5.943 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 9 60.974 -6.180 6.391 1.00 0.00 H new ATOM 0 HD2 PRO A 9 61.497 -3.649 5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 9 60.996 -3.890 6.835 1.00 0.00 H new ATOM 135 N ALA A 10 64.416 -4.731 4.161 1.00 0.00 N ATOM 136 CA ALA A 10 65.259 -4.669 2.933 1.00 0.00 C ATOM 137 C ALA A 10 66.377 -3.640 3.119 1.00 0.00 C ATOM 138 O ALA A 10 67.492 -3.837 2.678 1.00 0.00 O ATOM 139 CB ALA A 10 64.395 -4.269 1.736 1.00 0.00 C ATOM 0 H ALA A 10 63.411 -4.665 4.001 1.00 0.00 H new ATOM 0 HA ALA A 10 65.699 -5.650 2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 10 65.013 -4.224 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 10 63.605 -5.006 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 10 63.950 -3.291 1.919 1.00 0.00 H new ATOM 145 N LEU A 11 66.091 -2.543 3.765 1.00 0.00 N ATOM 146 CA LEU A 11 67.143 -1.508 3.970 1.00 0.00 C ATOM 147 C LEU A 11 67.737 -1.649 5.372 1.00 0.00 C ATOM 148 O LEU A 11 68.933 -1.785 5.538 1.00 0.00 O ATOM 149 CB LEU A 11 66.529 -0.114 3.808 1.00 0.00 C ATOM 150 CG LEU A 11 65.876 0.010 2.426 1.00 0.00 C ATOM 151 CD1 LEU A 11 65.660 1.488 2.096 1.00 0.00 C ATOM 152 CD2 LEU A 11 66.788 -0.616 1.366 1.00 0.00 C ATOM 0 H LEU A 11 65.177 -2.319 4.159 1.00 0.00 H new ATOM 0 HA LEU A 11 67.932 -1.643 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.787 0.059 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 11 67.299 0.648 3.926 1.00 0.00 H new ATOM 0 HG LEU A 11 64.918 -0.509 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.196 1.577 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.010 1.937 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.620 2.004 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 11 66.321 -0.526 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 11 67.747 -0.099 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 11 66.946 -1.669 1.598 1.00 0.00 H new ATOM 164 N GLY A 12 66.913 -1.621 6.383 1.00 0.00 N ATOM 165 CA GLY A 12 67.439 -1.758 7.769 1.00 0.00 C ATOM 166 C GLY A 12 66.792 -0.706 8.675 1.00 0.00 C ATOM 167 O GLY A 12 65.685 -0.272 8.427 1.00 0.00 O ATOM 0 H GLY A 12 65.902 -1.510 6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 12 67.230 -2.758 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 12 68.522 -1.636 7.771 1.00 0.00 H new ATOM 171 N PRO A 13 67.508 -0.331 9.705 1.00 0.00 N ATOM 172 CA PRO A 13 67.038 0.669 10.679 1.00 0.00 C ATOM 173 C PRO A 13 67.181 2.082 10.109 1.00 0.00 C ATOM 174 O PRO A 13 67.942 2.318 9.191 1.00 0.00 O ATOM 175 CB PRO A 13 67.969 0.467 11.878 1.00 0.00 C ATOM 176 CG PRO A 13 69.246 -0.214 11.329 1.00 0.00 C ATOM 177 CD PRO A 13 68.854 -0.869 9.991 1.00 0.00 C ATOM 0 HA PRO A 13 65.986 0.553 10.938 1.00 0.00 H new ATOM 0 HB2 PRO A 13 68.209 1.420 12.349 1.00 0.00 H new ATOM 0 HB3 PRO A 13 67.494 -0.153 12.638 1.00 0.00 H new ATOM 0 HG2 PRO A 13 70.043 0.516 11.185 1.00 0.00 H new ATOM 0 HG3 PRO A 13 69.620 -0.960 12.031 1.00 0.00 H new ATOM 0 HD2 PRO A 13 69.561 -0.615 9.201 1.00 0.00 H new ATOM 0 HD3 PRO A 13 68.840 -1.956 10.069 1.00 0.00 H new ATOM 185 N GLY A 14 66.453 3.023 10.646 1.00 0.00 N ATOM 186 CA GLY A 14 66.546 4.421 10.137 1.00 0.00 C ATOM 187 C GLY A 14 65.639 4.583 8.915 1.00 0.00 C ATOM 188 O GLY A 14 65.410 5.677 8.441 1.00 0.00 O ATOM 0 H GLY A 14 65.798 2.884 11.415 1.00 0.00 H new ATOM 0 HA2 GLY A 14 66.251 5.123 10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 14 67.577 4.654 9.871 1.00 0.00 H new ATOM 192 N TRP A 15 65.121 3.500 8.403 1.00 0.00 N ATOM 193 CA TRP A 15 64.229 3.589 7.213 1.00 0.00 C ATOM 194 C TRP A 15 62.840 3.065 7.583 1.00 0.00 C ATOM 195 O TRP A 15 62.702 2.006 8.163 1.00 0.00 O ATOM 196 CB TRP A 15 64.812 2.740 6.081 1.00 0.00 C ATOM 197 CG TRP A 15 64.316 3.245 4.765 1.00 0.00 C ATOM 198 CD1 TRP A 15 63.585 2.526 3.884 1.00 0.00 C ATOM 199 CD2 TRP A 15 64.505 4.559 4.164 1.00 0.00 C ATOM 200 NE1 TRP A 15 63.313 3.315 2.781 1.00 0.00 N ATOM 201 CE2 TRP A 15 63.858 4.576 2.907 1.00 0.00 C ATOM 202 CE3 TRP A 15 65.168 5.725 4.584 1.00 0.00 C ATOM 203 CZ2 TRP A 15 63.868 5.710 2.095 1.00 0.00 C ATOM 204 CZ3 TRP A 15 65.181 6.868 3.769 1.00 0.00 C ATOM 205 CH2 TRP A 15 64.532 6.861 2.526 1.00 0.00 C ATOM 0 H TRP A 15 65.277 2.557 8.758 1.00 0.00 H new ATOM 0 HA TRP A 15 64.151 4.626 6.887 1.00 0.00 H new ATOM 0 HB2 TRP A 15 65.901 2.778 6.109 1.00 0.00 H new ATOM 0 HB3 TRP A 15 64.526 1.696 6.212 1.00 0.00 H new ATOM 0 HD1 TRP A 15 63.266 1.503 4.019 1.00 0.00 H new ATOM 0 HE1 TRP A 15 62.775 3.002 1.973 1.00 0.00 H new ATOM 0 HE3 TRP A 15 65.671 5.742 5.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 63.366 5.698 1.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 65.694 7.758 4.101 1.00 0.00 H new ATOM 0 HH2 TRP A 15 64.545 7.743 1.903 1.00 0.00 H new ATOM 216 N LYS A 16 61.809 3.796 7.256 1.00 0.00 N ATOM 217 CA LYS A 16 60.435 3.335 7.595 1.00 0.00 C ATOM 218 C LYS A 16 59.831 2.616 6.389 1.00 0.00 C ATOM 219 O LYS A 16 59.629 3.199 5.343 1.00 0.00 O ATOM 220 CB LYS A 16 59.568 4.542 7.957 1.00 0.00 C ATOM 221 CG LYS A 16 60.046 5.135 9.285 1.00 0.00 C ATOM 222 CD LYS A 16 59.886 4.097 10.399 1.00 0.00 C ATOM 223 CE LYS A 16 60.146 4.759 11.754 1.00 0.00 C ATOM 224 NZ LYS A 16 59.141 4.279 12.744 1.00 0.00 N ATOM 0 H LYS A 16 61.860 4.691 6.769 1.00 0.00 H new ATOM 0 HA LYS A 16 60.477 2.652 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 16 59.625 5.293 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 16 58.523 4.242 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 16 61.090 5.439 9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 16 59.471 6.030 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 16 58.882 3.674 10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 16 60.582 3.273 10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 16 61.153 4.523 12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 16 60.088 5.843 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 59.318 4.729 13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 58.185 4.526 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 59.217 3.247 12.843 1.00 0.00 H new ATOM 238 N ARG A 17 59.544 1.352 6.525 1.00 0.00 N ATOM 239 CA ARG A 17 58.956 0.598 5.384 1.00 0.00 C ATOM 240 C ARG A 17 57.460 0.382 5.637 1.00 0.00 C ATOM 241 O ARG A 17 57.068 -0.495 6.381 1.00 0.00 O ATOM 242 CB ARG A 17 59.659 -0.757 5.255 1.00 0.00 C ATOM 243 CG ARG A 17 58.980 -1.585 4.163 1.00 0.00 C ATOM 244 CD ARG A 17 60.000 -2.532 3.525 1.00 0.00 C ATOM 245 NE ARG A 17 59.733 -2.630 2.063 1.00 0.00 N ATOM 246 CZ ARG A 17 58.746 -3.367 1.624 1.00 0.00 C ATOM 247 NH1 ARG A 17 57.989 -4.019 2.466 1.00 0.00 N ATOM 248 NH2 ARG A 17 58.517 -3.453 0.342 1.00 0.00 N ATOM 0 H ARG A 17 59.691 0.809 7.376 1.00 0.00 H new ATOM 0 HA ARG A 17 59.089 1.163 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 17 60.712 -0.610 5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 17 59.622 -1.289 6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 17 58.154 -2.156 4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 17 58.556 -0.927 3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 17 61.012 -2.165 3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 17 59.935 -3.518 3.985 1.00 0.00 H new ATOM 0 HE ARG A 17 60.321 -2.121 1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 17 58.167 -3.954 3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 17 57.220 -4.593 2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 17 59.108 -2.946 -0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 17 57.747 -4.028 -0.001 1.00 0.00 H new ATOM 262 N ARG A 18 56.621 1.180 5.032 1.00 0.00 N ATOM 263 CA ARG A 18 55.154 1.018 5.247 1.00 0.00 C ATOM 264 C ARG A 18 54.529 0.272 4.064 1.00 0.00 C ATOM 265 O ARG A 18 54.923 0.446 2.928 1.00 0.00 O ATOM 266 CB ARG A 18 54.501 2.395 5.380 1.00 0.00 C ATOM 267 CG ARG A 18 52.990 2.227 5.550 1.00 0.00 C ATOM 268 CD ARG A 18 52.703 1.509 6.871 1.00 0.00 C ATOM 269 NE ARG A 18 51.831 0.328 6.616 1.00 0.00 N ATOM 270 CZ ARG A 18 51.985 -0.760 7.320 1.00 0.00 C ATOM 271 NH1 ARG A 18 53.182 -1.234 7.535 1.00 0.00 N ATOM 272 NH2 ARG A 18 50.942 -1.375 7.808 1.00 0.00 N ATOM 0 H ARG A 18 56.887 1.935 4.400 1.00 0.00 H new ATOM 0 HA ARG A 18 54.990 0.444 6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.917 2.926 6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 18 54.714 2.997 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.501 3.201 5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 18 52.581 1.656 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 18 53.637 1.191 7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 18 52.216 2.190 7.569 1.00 0.00 H new ATOM 0 HE ARG A 18 51.114 0.370 5.892 1.00 0.00 H new ATOM 0 HH11 ARG A 18 53.997 -0.754 7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 18 53.303 -2.084 8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 18 50.007 -1.005 7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.063 -2.225 8.358 1.00 0.00 H new ATOM 286 N GLU A 19 53.551 -0.553 4.325 1.00 0.00 N ATOM 287 CA GLU A 19 52.891 -1.308 3.222 1.00 0.00 C ATOM 288 C GLU A 19 51.442 -0.835 3.083 1.00 0.00 C ATOM 289 O GLU A 19 50.791 -0.506 4.055 1.00 0.00 O ATOM 290 CB GLU A 19 52.910 -2.804 3.546 1.00 0.00 C ATOM 291 CG GLU A 19 51.945 -3.088 4.698 1.00 0.00 C ATOM 292 CD GLU A 19 52.263 -4.455 5.307 1.00 0.00 C ATOM 293 OE1 GLU A 19 52.818 -5.282 4.602 1.00 0.00 O ATOM 294 OE2 GLU A 19 51.947 -4.652 6.469 1.00 0.00 O ATOM 0 H GLU A 19 53.180 -0.737 5.257 1.00 0.00 H new ATOM 0 HA GLU A 19 53.424 -1.132 2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 19 52.624 -3.381 2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.919 -3.116 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 19 52.031 -2.311 5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 19 50.916 -3.069 4.338 1.00 0.00 H new ATOM 301 N VAL A 20 50.930 -0.793 1.882 1.00 0.00 N ATOM 302 CA VAL A 20 49.525 -0.335 1.687 1.00 0.00 C ATOM 303 C VAL A 20 48.801 -1.283 0.726 1.00 0.00 C ATOM 304 O VAL A 20 49.380 -1.791 -0.214 1.00 0.00 O ATOM 305 CB VAL A 20 49.524 1.078 1.099 1.00 0.00 C ATOM 306 CG1 VAL A 20 48.097 1.629 1.099 1.00 0.00 C ATOM 307 CG2 VAL A 20 50.419 1.987 1.944 1.00 0.00 C ATOM 0 H VAL A 20 51.424 -1.056 1.029 1.00 0.00 H new ATOM 0 HA VAL A 20 49.012 -0.332 2.649 1.00 0.00 H new ATOM 0 HB VAL A 20 49.903 1.044 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 20 48.096 2.635 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 20 47.458 0.984 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 20 47.719 1.661 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 20 50.417 2.993 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 20 50.042 2.020 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 20 51.437 1.596 1.945 1.00 0.00 H new ATOM 317 N PHE A 21 47.538 -1.520 0.953 1.00 0.00 N ATOM 318 CA PHE A 21 46.774 -2.430 0.052 1.00 0.00 C ATOM 319 C PHE A 21 46.181 -1.621 -1.105 1.00 0.00 C ATOM 320 O PHE A 21 45.009 -1.725 -1.409 1.00 0.00 O ATOM 321 CB PHE A 21 45.639 -3.092 0.839 1.00 0.00 C ATOM 322 CG PHE A 21 46.195 -4.202 1.700 1.00 0.00 C ATOM 323 CD1 PHE A 21 47.127 -5.101 1.170 1.00 0.00 C ATOM 324 CD2 PHE A 21 45.774 -4.333 3.030 1.00 0.00 C ATOM 325 CE1 PHE A 21 47.640 -6.131 1.968 1.00 0.00 C ATOM 326 CE2 PHE A 21 46.287 -5.363 3.828 1.00 0.00 C ATOM 327 CZ PHE A 21 47.220 -6.262 3.297 1.00 0.00 C ATOM 0 H PHE A 21 47.001 -1.123 1.724 1.00 0.00 H new ATOM 0 HA PHE A 21 47.442 -3.196 -0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 21 45.136 -2.352 1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 21 44.892 -3.491 0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 21 47.451 -5.000 0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 21 45.054 -3.640 3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 21 48.360 -6.824 1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 21 45.963 -5.464 4.853 1.00 0.00 H new ATOM 0 HZ PHE A 21 47.616 -7.056 3.913 1.00 0.00 H new ATOM 337 N ARG A 22 46.976 -0.811 -1.749 1.00 0.00 N ATOM 338 CA ARG A 22 46.448 0.004 -2.880 1.00 0.00 C ATOM 339 C ARG A 22 45.154 0.692 -2.444 1.00 0.00 C ATOM 340 O ARG A 22 44.236 0.860 -3.222 1.00 0.00 O ATOM 341 CB ARG A 22 46.161 -0.903 -4.079 1.00 0.00 C ATOM 342 CG ARG A 22 47.106 -0.546 -5.227 1.00 0.00 C ATOM 343 CD ARG A 22 46.607 0.719 -5.927 1.00 0.00 C ATOM 344 NE ARG A 22 47.703 1.290 -6.759 1.00 0.00 N ATOM 345 CZ ARG A 22 47.422 1.907 -7.875 1.00 0.00 C ATOM 346 NH1 ARG A 22 46.518 2.847 -7.890 1.00 0.00 N ATOM 347 NH2 ARG A 22 48.044 1.582 -8.975 1.00 0.00 N ATOM 0 H ARG A 22 47.966 -0.678 -1.542 1.00 0.00 H new ATOM 0 HA ARG A 22 47.187 0.754 -3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 22 46.292 -1.948 -3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 22 45.125 -0.786 -4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 22 48.115 -0.389 -4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 22 47.159 -1.371 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 22 45.745 0.486 -6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 22 46.277 1.450 -5.189 1.00 0.00 H new ATOM 0 HE ARG A 22 48.673 1.199 -6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 22 46.031 3.100 -7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 22 46.298 3.329 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 22 48.750 0.846 -8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 22 47.824 2.064 -9.847 1.00 0.00 H new ATOM 361 N LYS A 23 45.072 1.089 -1.204 1.00 0.00 N ATOM 362 CA LYS A 23 43.836 1.763 -0.718 1.00 0.00 C ATOM 363 C LYS A 23 42.613 0.935 -1.122 1.00 0.00 C ATOM 364 O LYS A 23 41.591 1.467 -1.505 1.00 0.00 O ATOM 365 CB LYS A 23 43.736 3.157 -1.342 1.00 0.00 C ATOM 366 CG LYS A 23 45.101 3.847 -1.277 1.00 0.00 C ATOM 367 CD LYS A 23 45.767 3.799 -2.655 1.00 0.00 C ATOM 368 CE LYS A 23 46.184 5.210 -3.073 1.00 0.00 C ATOM 369 NZ LYS A 23 47.122 5.129 -4.228 1.00 0.00 N ATOM 0 H LYS A 23 45.808 0.976 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 23 43.873 1.853 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 23 43.405 3.080 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.991 3.751 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 23 44.982 4.882 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 23 45.734 3.355 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 23 46.638 3.145 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 23 45.078 3.380 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 23 45.305 5.795 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 23 46.662 5.722 -2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 47.406 6.088 -4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 47.965 4.586 -3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 46.651 4.657 -5.026 1.00 0.00 H new ATOM 383 N SER A 24 42.710 -0.366 -1.041 1.00 0.00 N ATOM 384 CA SER A 24 41.553 -1.225 -1.424 1.00 0.00 C ATOM 385 C SER A 24 41.471 -2.429 -0.482 1.00 0.00 C ATOM 386 O SER A 24 40.496 -2.615 0.219 1.00 0.00 O ATOM 387 CB SER A 24 41.737 -1.715 -2.860 1.00 0.00 C ATOM 388 OG SER A 24 41.742 -0.600 -3.741 1.00 0.00 O ATOM 0 H SER A 24 43.539 -0.870 -0.727 1.00 0.00 H new ATOM 0 HA SER A 24 40.633 -0.645 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 24 42.672 -2.268 -2.950 1.00 0.00 H new ATOM 0 HB3 SER A 24 40.933 -2.401 -3.128 1.00 0.00 H new ATOM 0 HG SER A 24 42.567 -0.087 -3.614 1.00 0.00 H new ATOM 394 N GLY A 25 42.486 -3.249 -0.461 1.00 0.00 N ATOM 395 CA GLY A 25 42.462 -4.440 0.436 1.00 0.00 C ATOM 396 C GLY A 25 42.704 -5.709 -0.385 1.00 0.00 C ATOM 397 O GLY A 25 42.526 -6.811 0.095 1.00 0.00 O ATOM 0 H GLY A 25 43.330 -3.146 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 25 43.227 -4.342 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 25 41.501 -4.503 0.947 1.00 0.00 H new ATOM 401 N ALA A 26 43.109 -5.565 -1.618 1.00 0.00 N ATOM 402 CA ALA A 26 43.361 -6.767 -2.462 1.00 0.00 C ATOM 403 C ALA A 26 44.642 -7.458 -1.992 1.00 0.00 C ATOM 404 O ALA A 26 45.681 -6.843 -1.863 1.00 0.00 O ATOM 405 CB ALA A 26 43.518 -6.340 -3.923 1.00 0.00 C ATOM 0 H ALA A 26 43.276 -4.669 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 26 42.522 -7.457 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 26 43.702 -7.219 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 26 42.606 -5.846 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 26 44.358 -5.651 -4.012 1.00 0.00 H new ATOM 411 N THR A 27 44.575 -8.735 -1.732 1.00 0.00 N ATOM 412 CA THR A 27 45.788 -9.464 -1.268 1.00 0.00 C ATOM 413 C THR A 27 46.219 -10.472 -2.334 1.00 0.00 C ATOM 414 O THR A 27 46.830 -11.479 -2.038 1.00 0.00 O ATOM 415 CB THR A 27 45.469 -10.204 0.033 1.00 0.00 C ATOM 416 OG1 THR A 27 46.642 -10.848 0.509 1.00 0.00 O ATOM 417 CG2 THR A 27 44.381 -11.246 -0.226 1.00 0.00 C ATOM 0 H THR A 27 43.733 -9.304 -1.821 1.00 0.00 H new ATOM 0 HA THR A 27 46.595 -8.752 -1.095 1.00 0.00 H new ATOM 0 HB THR A 27 45.117 -9.493 0.780 1.00 0.00 H new ATOM 0 HG1 THR A 27 47.074 -11.328 -0.228 1.00 0.00 H new ATOM 0 HG21 THR A 27 44.154 -11.773 0.701 1.00 0.00 H new ATOM 0 HG22 THR A 27 43.482 -10.750 -0.591 1.00 0.00 H new ATOM 0 HG23 THR A 27 44.731 -11.959 -0.973 1.00 0.00 H new ATOM 425 N CYS A 28 45.906 -10.210 -3.574 1.00 0.00 N ATOM 426 CA CYS A 28 46.301 -11.156 -4.655 1.00 0.00 C ATOM 427 C CYS A 28 47.825 -11.277 -4.691 1.00 0.00 C ATOM 428 O CYS A 28 48.382 -12.314 -4.389 1.00 0.00 O ATOM 429 CB CYS A 28 45.800 -10.631 -6.003 1.00 0.00 C ATOM 430 SG CYS A 28 43.990 -10.643 -6.020 1.00 0.00 S ATOM 0 H CYS A 28 45.395 -9.384 -3.884 1.00 0.00 H new ATOM 0 HA CYS A 28 45.861 -12.134 -4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 28 46.169 -9.619 -6.171 1.00 0.00 H new ATOM 0 HB3 CYS A 28 46.186 -11.250 -6.813 1.00 0.00 H new ATOM 0 HG CYS A 28 43.564 -10.195 -7.164 1.00 0.00 H new ATOM 436 N GLY A 29 48.505 -10.224 -5.056 1.00 0.00 N ATOM 437 CA GLY A 29 49.993 -10.280 -5.109 1.00 0.00 C ATOM 438 C GLY A 29 50.538 -8.968 -5.679 1.00 0.00 C ATOM 439 O GLY A 29 50.949 -8.900 -6.821 1.00 0.00 O ATOM 0 H GLY A 29 48.094 -9.328 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 29 50.396 -10.449 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 29 50.313 -11.118 -5.728 1.00 0.00 H new ATOM 443 N ARG A 30 50.547 -7.927 -4.893 1.00 0.00 N ATOM 444 CA ARG A 30 51.067 -6.621 -5.387 1.00 0.00 C ATOM 445 C ARG A 30 51.236 -5.665 -4.204 1.00 0.00 C ATOM 446 O ARG A 30 52.259 -5.651 -3.547 1.00 0.00 O ATOM 447 CB ARG A 30 50.080 -6.026 -6.395 1.00 0.00 C ATOM 448 CG ARG A 30 50.531 -4.617 -6.787 1.00 0.00 C ATOM 449 CD ARG A 30 49.564 -4.043 -7.824 1.00 0.00 C ATOM 450 NE ARG A 30 50.227 -4.015 -9.158 1.00 0.00 N ATOM 451 CZ ARG A 30 50.082 -2.977 -9.936 1.00 0.00 C ATOM 452 NH1 ARG A 30 49.056 -2.186 -9.781 1.00 0.00 N ATOM 453 NH2 ARG A 30 50.962 -2.731 -10.868 1.00 0.00 N ATOM 0 H ARG A 30 50.216 -7.924 -3.928 1.00 0.00 H new ATOM 0 HA ARG A 30 52.031 -6.770 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 30 50.023 -6.660 -7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 30 49.080 -5.991 -5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 30 50.561 -3.975 -5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 30 51.542 -4.647 -7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 30 48.659 -4.649 -7.868 1.00 0.00 H new ATOM 0 HD3 ARG A 30 49.260 -3.037 -7.536 1.00 0.00 H new ATOM 0 HE ARG A 30 50.794 -4.806 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 30 48.369 -2.379 -9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 30 48.941 -1.374 -10.388 1.00 0.00 H new ATOM 0 HH21 ARG A 30 51.764 -3.350 -10.989 1.00 0.00 H new ATOM 0 HH22 ARG A 30 50.848 -1.920 -11.476 1.00 0.00 H new ATOM 467 N SER A 31 50.239 -4.871 -3.920 1.00 0.00 N ATOM 468 CA SER A 31 50.341 -3.925 -2.773 1.00 0.00 C ATOM 469 C SER A 31 51.431 -2.886 -3.048 1.00 0.00 C ATOM 470 O SER A 31 52.376 -3.137 -3.769 1.00 0.00 O ATOM 471 CB SER A 31 50.693 -4.701 -1.504 1.00 0.00 C ATOM 472 OG SER A 31 52.102 -4.686 -1.320 1.00 0.00 O ATOM 0 H SER A 31 49.358 -4.837 -4.433 1.00 0.00 H new ATOM 0 HA SER A 31 49.385 -3.418 -2.643 1.00 0.00 H new ATOM 0 HB2 SER A 31 50.197 -4.255 -0.642 1.00 0.00 H new ATOM 0 HB3 SER A 31 50.336 -5.728 -1.581 1.00 0.00 H new ATOM 0 HG SER A 31 52.512 -5.384 -1.872 1.00 0.00 H new ATOM 478 N ASP A 32 51.306 -1.723 -2.469 1.00 0.00 N ATOM 479 CA ASP A 32 52.332 -0.664 -2.682 1.00 0.00 C ATOM 480 C ASP A 32 53.041 -0.386 -1.356 1.00 0.00 C ATOM 481 O ASP A 32 52.444 -0.450 -0.302 1.00 0.00 O ATOM 482 CB ASP A 32 51.652 0.614 -3.176 1.00 0.00 C ATOM 483 CG ASP A 32 51.653 0.633 -4.704 1.00 0.00 C ATOM 484 OD1 ASP A 32 51.480 -0.423 -5.290 1.00 0.00 O ATOM 485 OD2 ASP A 32 51.827 1.703 -5.263 1.00 0.00 O ATOM 0 H ASP A 32 50.535 -1.460 -1.856 1.00 0.00 H new ATOM 0 HA ASP A 32 53.057 -0.996 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 32 50.629 0.663 -2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.175 1.489 -2.790 1.00 0.00 H new ATOM 490 N THR A 33 54.310 -0.088 -1.394 1.00 0.00 N ATOM 491 CA THR A 33 55.042 0.180 -0.124 1.00 0.00 C ATOM 492 C THR A 33 55.730 1.544 -0.191 1.00 0.00 C ATOM 493 O THR A 33 56.550 1.797 -1.053 1.00 0.00 O ATOM 494 CB THR A 33 56.096 -0.909 0.094 1.00 0.00 C ATOM 495 OG1 THR A 33 55.471 -2.185 0.070 1.00 0.00 O ATOM 496 CG2 THR A 33 56.779 -0.698 1.447 1.00 0.00 C ATOM 0 H THR A 33 54.869 -0.019 -2.244 1.00 0.00 H new ATOM 0 HA THR A 33 54.332 0.179 0.703 1.00 0.00 H new ATOM 0 HB THR A 33 56.842 -0.856 -0.699 1.00 0.00 H new ATOM 0 HG1 THR A 33 56.050 -2.841 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 33 57.529 -1.474 1.601 1.00 0.00 H new ATOM 0 HG22 THR A 33 57.260 0.280 1.463 1.00 0.00 H new ATOM 0 HG23 THR A 33 56.035 -0.750 2.242 1.00 0.00 H new ATOM 504 N TYR A 34 55.416 2.420 0.724 1.00 0.00 N ATOM 505 CA TYR A 34 56.064 3.761 0.730 1.00 0.00 C ATOM 506 C TYR A 34 57.167 3.762 1.789 1.00 0.00 C ATOM 507 O TYR A 34 57.169 2.945 2.688 1.00 0.00 O ATOM 508 CB TYR A 34 55.028 4.834 1.072 1.00 0.00 C ATOM 509 CG TYR A 34 53.756 4.576 0.301 1.00 0.00 C ATOM 510 CD1 TYR A 34 53.810 3.970 -0.960 1.00 0.00 C ATOM 511 CD2 TYR A 34 52.521 4.946 0.848 1.00 0.00 C ATOM 512 CE1 TYR A 34 52.628 3.734 -1.674 1.00 0.00 C ATOM 513 CE2 TYR A 34 51.340 4.709 0.134 1.00 0.00 C ATOM 514 CZ TYR A 34 51.393 4.103 -1.126 1.00 0.00 C ATOM 515 OH TYR A 34 50.229 3.870 -1.829 1.00 0.00 O ATOM 0 H TYR A 34 54.737 2.264 1.469 1.00 0.00 H new ATOM 0 HA TYR A 34 56.485 3.975 -0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 34 54.823 4.828 2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 34 55.419 5.822 0.828 1.00 0.00 H new ATOM 0 HD1 TYR A 34 54.762 3.685 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 34 52.480 5.414 1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 34 52.669 3.267 -2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 34 50.388 4.994 0.556 1.00 0.00 H new ATOM 0 HH TYR A 34 49.462 4.185 -1.306 1.00 0.00 H new ATOM 525 N TYR A 35 58.108 4.660 1.697 1.00 0.00 N ATOM 526 CA TYR A 35 59.200 4.680 2.711 1.00 0.00 C ATOM 527 C TYR A 35 59.385 6.097 3.257 1.00 0.00 C ATOM 528 O TYR A 35 59.371 7.066 2.524 1.00 0.00 O ATOM 529 CB TYR A 35 60.500 4.200 2.064 1.00 0.00 C ATOM 530 CG TYR A 35 60.291 2.812 1.508 1.00 0.00 C ATOM 531 CD1 TYR A 35 59.486 2.628 0.378 1.00 0.00 C ATOM 532 CD2 TYR A 35 60.896 1.710 2.124 1.00 0.00 C ATOM 533 CE1 TYR A 35 59.286 1.342 -0.137 1.00 0.00 C ATOM 534 CE2 TYR A 35 60.697 0.424 1.608 1.00 0.00 C ATOM 535 CZ TYR A 35 59.891 0.240 0.478 1.00 0.00 C ATOM 536 OH TYR A 35 59.692 -1.026 -0.029 1.00 0.00 O ATOM 0 H TYR A 35 58.169 5.374 0.972 1.00 0.00 H new ATOM 0 HA TYR A 35 58.937 4.018 3.536 1.00 0.00 H new ATOM 0 HB2 TYR A 35 60.799 4.883 1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 35 61.306 4.194 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 35 59.019 3.478 -0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 35 61.516 1.852 2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 35 58.665 1.200 -1.009 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.165 -0.426 2.082 1.00 0.00 H new ATOM 0 HH TYR A 35 60.426 -1.254 -0.637 1.00 0.00 H new ATOM 546 N GLN A 36 59.556 6.219 4.545 1.00 0.00 N ATOM 547 CA GLN A 36 59.743 7.564 5.158 1.00 0.00 C ATOM 548 C GLN A 36 61.110 7.623 5.842 1.00 0.00 C ATOM 549 O GLN A 36 61.372 6.904 6.787 1.00 0.00 O ATOM 550 CB GLN A 36 58.645 7.801 6.198 1.00 0.00 C ATOM 551 CG GLN A 36 57.901 9.099 5.877 1.00 0.00 C ATOM 552 CD GLN A 36 56.961 9.445 7.033 1.00 0.00 C ATOM 553 OE1 GLN A 36 55.757 9.455 6.870 1.00 0.00 O ATOM 554 NE2 GLN A 36 57.464 9.730 8.203 1.00 0.00 N ATOM 0 H GLN A 36 59.574 5.440 5.203 1.00 0.00 H new ATOM 0 HA GLN A 36 59.688 8.331 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 36 57.948 6.963 6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 36 59.082 7.858 7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 36 58.613 9.909 5.717 1.00 0.00 H new ATOM 0 HG3 GLN A 36 57.333 8.987 4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 36 58.475 9.721 8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 36 56.846 9.961 8.981 1.00 0.00 H new ATOM 563 N SER A 37 61.983 8.470 5.372 1.00 0.00 N ATOM 564 CA SER A 37 63.332 8.571 5.997 1.00 0.00 C ATOM 565 C SER A 37 63.181 8.897 7.487 1.00 0.00 C ATOM 566 O SER A 37 62.104 9.232 7.941 1.00 0.00 O ATOM 567 CB SER A 37 64.132 9.679 5.306 1.00 0.00 C ATOM 568 OG SER A 37 64.172 10.828 6.144 1.00 0.00 O ATOM 0 H SER A 37 61.821 9.096 4.583 1.00 0.00 H new ATOM 0 HA SER A 37 63.858 7.623 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 37 65.144 9.334 5.095 1.00 0.00 H new ATOM 0 HB3 SER A 37 63.675 9.930 4.349 1.00 0.00 H new ATOM 0 HG SER A 37 65.090 10.976 6.452 1.00 0.00 H new ATOM 574 N PRO A 38 64.271 8.791 8.203 1.00 0.00 N ATOM 575 CA PRO A 38 64.302 9.070 9.648 1.00 0.00 C ATOM 576 C PRO A 38 64.337 10.581 9.899 1.00 0.00 C ATOM 577 O PRO A 38 64.465 11.031 11.020 1.00 0.00 O ATOM 578 CB PRO A 38 65.605 8.412 10.112 1.00 0.00 C ATOM 579 CG PRO A 38 66.506 8.297 8.859 1.00 0.00 C ATOM 580 CD PRO A 38 65.572 8.380 7.636 1.00 0.00 C ATOM 0 HA PRO A 38 63.427 8.693 10.177 1.00 0.00 H new ATOM 0 HB2 PRO A 38 66.088 9.010 10.885 1.00 0.00 H new ATOM 0 HB3 PRO A 38 65.412 7.430 10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.244 9.099 8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.057 7.356 8.863 1.00 0.00 H new ATOM 0 HD2 PRO A 38 65.935 9.103 6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.499 7.420 7.125 1.00 0.00 H new ATOM 588 N THR A 39 64.226 11.369 8.863 1.00 0.00 N ATOM 589 CA THR A 39 64.256 12.847 9.046 1.00 0.00 C ATOM 590 C THR A 39 62.905 13.444 8.639 1.00 0.00 C ATOM 591 O THR A 39 62.623 14.597 8.899 1.00 0.00 O ATOM 592 CB THR A 39 65.369 13.446 8.179 1.00 0.00 C ATOM 593 OG1 THR A 39 65.628 14.778 8.598 1.00 0.00 O ATOM 594 CG2 THR A 39 64.940 13.446 6.711 1.00 0.00 C ATOM 0 H THR A 39 64.116 11.053 7.900 1.00 0.00 H new ATOM 0 HA THR A 39 64.449 13.079 10.093 1.00 0.00 H new ATOM 0 HB THR A 39 66.273 12.846 8.288 1.00 0.00 H new ATOM 0 HG1 THR A 39 64.808 15.171 8.965 1.00 0.00 H new ATOM 0 HG21 THR A 39 65.735 13.873 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 39 64.744 12.423 6.389 1.00 0.00 H new ATOM 0 HG23 THR A 39 64.035 14.042 6.597 1.00 0.00 H new ATOM 602 N GLY A 40 62.069 12.669 8.005 1.00 0.00 N ATOM 603 CA GLY A 40 60.738 13.193 7.584 1.00 0.00 C ATOM 604 C GLY A 40 60.633 13.168 6.059 1.00 0.00 C ATOM 605 O GLY A 40 59.656 13.612 5.488 1.00 0.00 O ATOM 0 H GLY A 40 62.249 11.695 7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 40 59.943 12.589 8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 40 60.605 14.211 7.951 1.00 0.00 H new ATOM 609 N ASP A 41 61.627 12.649 5.392 1.00 0.00 N ATOM 610 CA ASP A 41 61.576 12.595 3.904 1.00 0.00 C ATOM 611 C ASP A 41 60.648 11.458 3.476 1.00 0.00 C ATOM 612 O ASP A 41 60.608 10.412 4.093 1.00 0.00 O ATOM 613 CB ASP A 41 62.981 12.347 3.352 1.00 0.00 C ATOM 614 CG ASP A 41 63.278 13.351 2.237 1.00 0.00 C ATOM 615 OD1 ASP A 41 62.900 14.502 2.387 1.00 0.00 O ATOM 616 OD2 ASP A 41 63.878 12.953 1.253 1.00 0.00 O ATOM 0 H ASP A 41 62.471 12.261 5.813 1.00 0.00 H new ATOM 0 HA ASP A 41 61.200 13.541 3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 41 63.718 12.444 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 41 63.058 11.329 2.969 1.00 0.00 H new ATOM 621 N ARG A 42 59.895 11.655 2.430 1.00 0.00 N ATOM 622 CA ARG A 42 58.966 10.584 1.972 1.00 0.00 C ATOM 623 C ARG A 42 59.238 10.259 0.501 1.00 0.00 C ATOM 624 O ARG A 42 59.086 11.094 -0.368 1.00 0.00 O ATOM 625 CB ARG A 42 57.523 11.063 2.134 1.00 0.00 C ATOM 626 CG ARG A 42 57.423 12.531 1.713 1.00 0.00 C ATOM 627 CD ARG A 42 57.379 13.418 2.959 1.00 0.00 C ATOM 628 NE ARG A 42 55.991 13.444 3.499 1.00 0.00 N ATOM 629 CZ ARG A 42 55.751 13.991 4.660 1.00 0.00 C ATOM 630 NH1 ARG A 42 56.419 15.046 5.037 1.00 0.00 N ATOM 631 NH2 ARG A 42 54.840 13.481 5.444 1.00 0.00 N ATOM 0 H ARG A 42 59.882 12.510 1.873 1.00 0.00 H new ATOM 0 HA ARG A 42 59.122 9.687 2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 42 56.855 10.453 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 42 57.204 10.948 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 42 58.277 12.801 1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 42 56.528 12.687 1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 42 58.068 13.038 3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 42 57.704 14.429 2.711 1.00 0.00 H new ATOM 0 HE ARG A 42 55.227 13.034 2.961 1.00 0.00 H new ATOM 0 HH11 ARG A 42 57.130 15.445 4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.230 15.472 5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.317 12.656 5.149 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.651 13.907 6.351 1.00 0.00 H new ATOM 645 N ILE A 43 59.639 9.050 0.218 1.00 0.00 N ATOM 646 CA ILE A 43 59.924 8.664 -1.194 1.00 0.00 C ATOM 647 C ILE A 43 59.065 7.455 -1.572 1.00 0.00 C ATOM 648 O ILE A 43 58.545 6.763 -0.720 1.00 0.00 O ATOM 649 CB ILE A 43 61.403 8.301 -1.326 1.00 0.00 C ATOM 650 CG1 ILE A 43 62.257 9.512 -0.944 1.00 0.00 C ATOM 651 CG2 ILE A 43 61.705 7.894 -2.770 1.00 0.00 C ATOM 652 CD1 ILE A 43 62.863 9.291 0.443 1.00 0.00 C ATOM 0 H ILE A 43 59.782 8.310 0.906 1.00 0.00 H new ATOM 0 HA ILE A 43 59.691 9.496 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 43 61.635 7.468 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 43 63.048 9.659 -1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 43 61.648 10.416 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 43 62.760 7.636 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 43 61.095 7.032 -3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 43 61.475 8.724 -3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 43 63.471 10.153 0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 43 62.064 9.165 1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 43 63.486 8.397 0.430 1.00 0.00 H new ATOM 664 N ARG A 44 58.913 7.191 -2.842 1.00 0.00 N ATOM 665 CA ARG A 44 58.088 6.023 -3.261 1.00 0.00 C ATOM 666 C ARG A 44 58.627 5.452 -4.574 1.00 0.00 C ATOM 667 O ARG A 44 57.966 4.682 -5.244 1.00 0.00 O ATOM 668 CB ARG A 44 56.635 6.461 -3.448 1.00 0.00 C ATOM 669 CG ARG A 44 55.853 6.184 -2.162 1.00 0.00 C ATOM 670 CD ARG A 44 54.410 6.662 -2.326 1.00 0.00 C ATOM 671 NE ARG A 44 53.727 5.833 -3.358 1.00 0.00 N ATOM 672 CZ ARG A 44 52.656 6.285 -3.950 1.00 0.00 C ATOM 673 NH1 ARG A 44 51.720 6.864 -3.248 1.00 0.00 N ATOM 674 NH2 ARG A 44 52.520 6.159 -5.242 1.00 0.00 N ATOM 0 H ARG A 44 59.323 7.731 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 44 58.137 5.254 -2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 44 56.592 7.522 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 44 56.186 5.924 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 44 55.870 5.118 -1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 44 56.323 6.695 -1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 44 53.881 6.588 -1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 44 54.394 7.712 -2.619 1.00 0.00 H new ATOM 0 HE ARG A 44 54.096 4.914 -3.601 1.00 0.00 H new ATOM 0 HH11 ARG A 44 51.827 6.962 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 44 50.882 7.218 -3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 44 53.252 5.707 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 44 51.682 6.513 -5.704 1.00 0.00 H new ATOM 688 N SER A 45 59.824 5.815 -4.945 1.00 0.00 N ATOM 689 CA SER A 45 60.406 5.285 -6.210 1.00 0.00 C ATOM 690 C SER A 45 61.064 3.936 -5.931 1.00 0.00 C ATOM 691 O SER A 45 60.463 2.895 -6.105 1.00 0.00 O ATOM 692 CB SER A 45 61.456 6.261 -6.741 1.00 0.00 C ATOM 693 OG SER A 45 60.958 6.892 -7.914 1.00 0.00 O ATOM 0 H SER A 45 60.424 6.456 -4.426 1.00 0.00 H new ATOM 0 HA SER A 45 59.617 5.165 -6.953 1.00 0.00 H new ATOM 0 HB2 SER A 45 61.691 7.009 -5.983 1.00 0.00 H new ATOM 0 HB3 SER A 45 62.382 5.731 -6.964 1.00 0.00 H new ATOM 0 HG SER A 45 61.455 6.570 -8.695 1.00 0.00 H new ATOM 699 N LYS A 46 62.294 3.956 -5.499 1.00 0.00 N ATOM 700 CA LYS A 46 63.024 2.691 -5.200 1.00 0.00 C ATOM 701 C LYS A 46 64.518 2.980 -5.261 1.00 0.00 C ATOM 702 O LYS A 46 65.224 2.884 -4.277 1.00 0.00 O ATOM 703 CB LYS A 46 62.662 1.618 -6.234 1.00 0.00 C ATOM 704 CG LYS A 46 63.686 0.482 -6.190 1.00 0.00 C ATOM 705 CD LYS A 46 63.297 -0.588 -7.212 1.00 0.00 C ATOM 706 CE LYS A 46 64.192 -0.471 -8.446 1.00 0.00 C ATOM 707 NZ LYS A 46 63.624 -1.297 -9.548 1.00 0.00 N ATOM 0 H LYS A 46 62.832 4.807 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 46 62.748 2.325 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 46 61.665 1.228 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 46 62.636 2.057 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 46 64.682 0.866 -6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 46 63.724 0.050 -5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 46 63.397 -1.580 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 46 62.251 -0.470 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 46 64.266 0.571 -8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 46 65.202 -0.805 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 64.231 -1.219 -10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 63.575 -2.291 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 62.668 -0.958 -9.779 1.00 0.00 H new ATOM 721 N VAL A 47 65.000 3.363 -6.407 1.00 0.00 N ATOM 722 CA VAL A 47 66.443 3.692 -6.522 1.00 0.00 C ATOM 723 C VAL A 47 66.608 5.171 -6.180 1.00 0.00 C ATOM 724 O VAL A 47 67.668 5.620 -5.792 1.00 0.00 O ATOM 725 CB VAL A 47 66.933 3.420 -7.946 1.00 0.00 C ATOM 726 CG1 VAL A 47 68.421 3.761 -8.044 1.00 0.00 C ATOM 727 CG2 VAL A 47 66.727 1.938 -8.279 1.00 0.00 C ATOM 0 H VAL A 47 64.459 3.462 -7.266 1.00 0.00 H new ATOM 0 HA VAL A 47 67.031 3.076 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 47 66.371 4.034 -8.650 1.00 0.00 H new ATOM 0 HG11 VAL A 47 68.773 3.568 -9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 47 68.570 4.813 -7.803 1.00 0.00 H new ATOM 0 HG13 VAL A 47 68.983 3.145 -7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 47 67.075 1.741 -9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 47 67.291 1.325 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 47 65.668 1.692 -8.205 1.00 0.00 H new ATOM 737 N GLU A 48 65.546 5.926 -6.301 1.00 0.00 N ATOM 738 CA GLU A 48 65.612 7.372 -5.961 1.00 0.00 C ATOM 739 C GLU A 48 65.786 7.502 -4.450 1.00 0.00 C ATOM 740 O GLU A 48 66.573 8.295 -3.971 1.00 0.00 O ATOM 741 CB GLU A 48 64.316 8.061 -6.394 1.00 0.00 C ATOM 742 CG GLU A 48 64.166 7.944 -7.911 1.00 0.00 C ATOM 743 CD GLU A 48 63.421 9.168 -8.449 1.00 0.00 C ATOM 744 OE1 GLU A 48 62.493 9.609 -7.790 1.00 0.00 O ATOM 745 OE2 GLU A 48 63.791 9.644 -9.509 1.00 0.00 O ATOM 0 H GLU A 48 64.635 5.599 -6.622 1.00 0.00 H new ATOM 0 HA GLU A 48 66.449 7.843 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 48 63.462 7.602 -5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 48 64.331 9.110 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 48 65.148 7.868 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 48 63.622 7.034 -8.164 1.00 0.00 H new ATOM 752 N LEU A 49 65.080 6.707 -3.691 1.00 0.00 N ATOM 753 CA LEU A 49 65.242 6.775 -2.217 1.00 0.00 C ATOM 754 C LEU A 49 66.600 6.172 -1.881 1.00 0.00 C ATOM 755 O LEU A 49 67.212 6.488 -0.881 1.00 0.00 O ATOM 756 CB LEU A 49 64.131 5.980 -1.529 1.00 0.00 C ATOM 757 CG LEU A 49 64.364 4.482 -1.737 1.00 0.00 C ATOM 758 CD1 LEU A 49 65.140 3.916 -0.546 1.00 0.00 C ATOM 759 CD2 LEU A 49 63.014 3.770 -1.853 1.00 0.00 C ATOM 0 H LEU A 49 64.405 6.020 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 49 65.182 7.807 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 49 64.112 6.210 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 49 63.161 6.267 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 49 64.938 4.325 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.306 2.849 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.100 4.425 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 49 64.567 4.071 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.177 2.703 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 49 62.441 3.926 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.461 4.174 -2.701 1.00 0.00 H new ATOM 771 N THR A 50 67.080 5.313 -2.737 1.00 0.00 N ATOM 772 CA THR A 50 68.409 4.688 -2.511 1.00 0.00 C ATOM 773 C THR A 50 69.484 5.755 -2.695 1.00 0.00 C ATOM 774 O THR A 50 70.217 6.076 -1.780 1.00 0.00 O ATOM 775 CB THR A 50 68.622 3.569 -3.528 1.00 0.00 C ATOM 776 OG1 THR A 50 67.451 2.771 -3.593 1.00 0.00 O ATOM 777 CG2 THR A 50 69.811 2.707 -3.103 1.00 0.00 C ATOM 0 H THR A 50 66.604 5.017 -3.589 1.00 0.00 H new ATOM 0 HA THR A 50 68.463 4.273 -1.505 1.00 0.00 H new ATOM 0 HB THR A 50 68.826 3.999 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 50 66.708 3.308 -3.938 1.00 0.00 H new ATOM 0 HG21 THR A 50 69.961 1.909 -3.831 1.00 0.00 H new ATOM 0 HG22 THR A 50 70.708 3.324 -3.052 1.00 0.00 H new ATOM 0 HG23 THR A 50 69.613 2.272 -2.123 1.00 0.00 H new ATOM 785 N ARG A 51 69.577 6.320 -3.869 1.00 0.00 N ATOM 786 CA ARG A 51 70.599 7.377 -4.093 1.00 0.00 C ATOM 787 C ARG A 51 70.467 8.421 -2.984 1.00 0.00 C ATOM 788 O ARG A 51 71.401 9.132 -2.670 1.00 0.00 O ATOM 789 CB ARG A 51 70.388 8.038 -5.461 1.00 0.00 C ATOM 790 CG ARG A 51 68.895 8.094 -5.798 1.00 0.00 C ATOM 791 CD ARG A 51 68.498 9.539 -6.110 1.00 0.00 C ATOM 792 NE ARG A 51 68.493 9.748 -7.587 1.00 0.00 N ATOM 793 CZ ARG A 51 68.566 10.956 -8.077 1.00 0.00 C ATOM 794 NH1 ARG A 51 69.672 11.640 -7.964 1.00 0.00 N ATOM 795 NH2 ARG A 51 67.535 11.479 -8.681 1.00 0.00 N ATOM 0 H ARG A 51 68.994 6.096 -4.675 1.00 0.00 H new ATOM 0 HA ARG A 51 71.596 6.936 -4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 51 70.805 9.045 -5.454 1.00 0.00 H new ATOM 0 HB3 ARG A 51 70.921 7.478 -6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 51 68.680 7.453 -6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 51 68.308 7.716 -4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 51 67.511 9.753 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 51 69.197 10.229 -5.637 1.00 0.00 H new ATOM 0 HE ARG A 51 68.432 8.946 -8.215 1.00 0.00 H new ATOM 0 HH11 ARG A 51 70.479 11.231 -7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 51 69.729 12.584 -8.347 1.00 0.00 H new ATOM 0 HH21 ARG A 51 66.671 10.944 -8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 51 67.593 12.423 -9.064 1.00 0.00 H new ATOM 809 N TYR A 52 69.312 8.508 -2.377 1.00 0.00 N ATOM 810 CA TYR A 52 69.121 9.494 -1.276 1.00 0.00 C ATOM 811 C TYR A 52 69.938 9.048 -0.061 1.00 0.00 C ATOM 812 O TYR A 52 70.886 9.697 0.333 1.00 0.00 O ATOM 813 CB TYR A 52 67.639 9.567 -0.900 1.00 0.00 C ATOM 814 CG TYR A 52 67.474 10.402 0.348 1.00 0.00 C ATOM 815 CD1 TYR A 52 67.672 11.787 0.294 1.00 0.00 C ATOM 816 CD2 TYR A 52 67.122 9.792 1.558 1.00 0.00 C ATOM 817 CE1 TYR A 52 67.517 12.562 1.450 1.00 0.00 C ATOM 818 CE2 TYR A 52 66.968 10.567 2.714 1.00 0.00 C ATOM 819 CZ TYR A 52 67.166 11.952 2.660 1.00 0.00 C ATOM 820 OH TYR A 52 67.013 12.716 3.800 1.00 0.00 O ATOM 0 H TYR A 52 68.495 7.939 -2.597 1.00 0.00 H new ATOM 0 HA TYR A 52 69.454 10.479 -1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 52 67.066 10.002 -1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 52 67.246 8.564 -0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 52 67.944 12.258 -0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 52 66.969 8.724 1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 52 67.668 13.631 1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 52 66.696 10.096 3.647 1.00 0.00 H new ATOM 0 HH TYR A 52 66.767 12.137 4.551 1.00 0.00 H new ATOM 830 N LEU A 53 69.583 7.939 0.534 1.00 0.00 N ATOM 831 CA LEU A 53 70.349 7.453 1.717 1.00 0.00 C ATOM 832 C LEU A 53 71.842 7.453 1.382 1.00 0.00 C ATOM 833 O LEU A 53 72.637 8.097 2.037 1.00 0.00 O ATOM 834 CB LEU A 53 69.912 6.028 2.068 1.00 0.00 C ATOM 835 CG LEU A 53 68.386 5.956 2.138 1.00 0.00 C ATOM 836 CD1 LEU A 53 67.874 4.974 1.082 1.00 0.00 C ATOM 837 CD2 LEU A 53 67.965 5.471 3.527 1.00 0.00 C ATOM 0 H LEU A 53 68.798 7.351 0.252 1.00 0.00 H new ATOM 0 HA LEU A 53 70.158 8.109 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.284 5.329 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.343 5.731 3.024 1.00 0.00 H new ATOM 0 HG LEU A 53 67.965 6.944 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 53 66.786 4.922 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 53 68.177 5.314 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 53 68.294 3.986 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 53 66.878 5.419 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 53 68.385 4.482 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 53 68.332 6.166 4.282 1.00 0.00 H new ATOM 849 N GLY A 54 72.228 6.731 0.365 1.00 0.00 N ATOM 850 CA GLY A 54 73.668 6.684 -0.015 1.00 0.00 C ATOM 851 C GLY A 54 74.090 5.226 -0.221 1.00 0.00 C ATOM 852 O GLY A 54 73.301 4.411 -0.657 1.00 0.00 O ATOM 0 H GLY A 54 71.607 6.171 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 54 73.834 7.255 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 54 74.277 7.144 0.763 1.00 0.00 H new ATOM 856 N PRO A 55 75.325 4.941 0.104 1.00 0.00 N ATOM 857 CA PRO A 55 75.888 3.587 -0.029 1.00 0.00 C ATOM 858 C PRO A 55 75.428 2.708 1.137 1.00 0.00 C ATOM 859 O PRO A 55 75.296 1.507 1.008 1.00 0.00 O ATOM 860 CB PRO A 55 77.400 3.821 0.025 1.00 0.00 C ATOM 861 CG PRO A 55 77.607 5.176 0.742 1.00 0.00 C ATOM 862 CD PRO A 55 76.274 5.941 0.634 1.00 0.00 C ATOM 0 HA PRO A 55 75.575 3.076 -0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.899 3.016 0.565 1.00 0.00 H new ATOM 0 HB3 PRO A 55 77.826 3.843 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.883 5.024 1.786 1.00 0.00 H new ATOM 0 HG3 PRO A 55 78.416 5.740 0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 55 75.953 6.320 1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.360 6.800 -0.031 1.00 0.00 H new ATOM 870 N ALA A 56 75.180 3.300 2.274 1.00 0.00 N ATOM 871 CA ALA A 56 74.726 2.503 3.449 1.00 0.00 C ATOM 872 C ALA A 56 73.488 1.693 3.062 1.00 0.00 C ATOM 873 O ALA A 56 73.210 0.655 3.629 1.00 0.00 O ATOM 874 CB ALA A 56 74.378 3.449 4.601 1.00 0.00 C ATOM 0 H ALA A 56 75.272 4.302 2.440 1.00 0.00 H new ATOM 0 HA ALA A 56 75.521 1.827 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 56 74.046 2.868 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 56 75.259 4.030 4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 56 73.581 4.124 4.289 1.00 0.00 H new ATOM 880 N CYS A 57 72.743 2.160 2.099 1.00 0.00 N ATOM 881 CA CYS A 57 71.524 1.420 1.672 1.00 0.00 C ATOM 882 C CYS A 57 71.638 1.077 0.187 1.00 0.00 C ATOM 883 O CYS A 57 72.525 1.543 -0.501 1.00 0.00 O ATOM 884 CB CYS A 57 70.290 2.294 1.901 1.00 0.00 C ATOM 885 SG CYS A 57 69.763 2.153 3.627 1.00 0.00 S ATOM 0 H CYS A 57 72.927 3.024 1.589 1.00 0.00 H new ATOM 0 HA CYS A 57 71.430 0.503 2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 57 70.518 3.333 1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 57 69.483 1.984 1.237 1.00 0.00 H new ATOM 0 HG CYS A 57 70.003 3.270 4.247 1.00 0.00 H new ATOM 891 N ASP A 58 70.749 0.267 -0.316 1.00 0.00 N ATOM 892 CA ASP A 58 70.811 -0.102 -1.757 1.00 0.00 C ATOM 893 C ASP A 58 69.487 -0.741 -2.176 1.00 0.00 C ATOM 894 O ASP A 58 68.822 -1.387 -1.391 1.00 0.00 O ATOM 895 CB ASP A 58 71.953 -1.095 -1.981 1.00 0.00 C ATOM 896 CG ASP A 58 71.599 -2.436 -1.335 1.00 0.00 C ATOM 897 OD1 ASP A 58 70.884 -2.425 -0.347 1.00 0.00 O ATOM 898 OD2 ASP A 58 72.049 -3.452 -1.840 1.00 0.00 O ATOM 0 H ASP A 58 69.983 -0.155 0.208 1.00 0.00 H new ATOM 0 HA ASP A 58 70.987 0.792 -2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 58 72.128 -1.229 -3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 58 72.877 -0.706 -1.553 1.00 0.00 H new ATOM 903 N LEU A 59 69.095 -0.563 -3.408 1.00 0.00 N ATOM 904 CA LEU A 59 67.810 -1.158 -3.872 1.00 0.00 C ATOM 905 C LEU A 59 67.873 -1.411 -5.379 1.00 0.00 C ATOM 906 O LEU A 59 66.860 -1.523 -6.040 1.00 0.00 O ATOM 907 CB LEU A 59 66.669 -0.186 -3.576 1.00 0.00 C ATOM 908 CG LEU A 59 66.331 -0.223 -2.086 1.00 0.00 C ATOM 909 CD1 LEU A 59 67.092 0.887 -1.361 1.00 0.00 C ATOM 910 CD2 LEU A 59 64.827 -0.010 -1.906 1.00 0.00 C ATOM 0 H LEU A 59 69.608 -0.032 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 59 67.640 -2.101 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 59 66.955 0.824 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.791 -0.452 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 59 66.618 -1.189 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 59 66.850 0.860 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 59 68.164 0.740 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 59 66.805 1.854 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 59 64.580 -0.036 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 59 64.544 0.957 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.283 -0.800 -2.424 1.00 0.00 H new ATOM 922 N THR A 60 69.052 -1.497 -5.928 1.00 0.00 N ATOM 923 CA THR A 60 69.174 -1.737 -7.393 1.00 0.00 C ATOM 924 C THR A 60 68.179 -2.818 -7.822 1.00 0.00 C ATOM 925 O THR A 60 67.444 -2.654 -8.775 1.00 0.00 O ATOM 926 CB THR A 60 70.596 -2.199 -7.716 1.00 0.00 C ATOM 927 OG1 THR A 60 71.519 -1.503 -6.889 1.00 0.00 O ATOM 928 CG2 THR A 60 70.903 -1.908 -9.184 1.00 0.00 C ATOM 0 H THR A 60 69.936 -1.412 -5.426 1.00 0.00 H new ATOM 0 HA THR A 60 68.958 -0.813 -7.930 1.00 0.00 H new ATOM 0 HB THR A 60 70.682 -3.270 -7.533 1.00 0.00 H new ATOM 0 HG1 THR A 60 72.430 -1.800 -7.094 1.00 0.00 H new ATOM 0 HG21 THR A 60 71.916 -2.237 -9.416 1.00 0.00 H new ATOM 0 HG22 THR A 60 70.194 -2.442 -9.817 1.00 0.00 H new ATOM 0 HG23 THR A 60 70.818 -0.837 -9.368 1.00 0.00 H new ATOM 936 N LEU A 61 68.156 -3.924 -7.130 1.00 0.00 N ATOM 937 CA LEU A 61 67.214 -5.019 -7.500 1.00 0.00 C ATOM 938 C LEU A 61 66.079 -5.091 -6.479 1.00 0.00 C ATOM 939 O LEU A 61 65.291 -6.015 -6.474 1.00 0.00 O ATOM 940 CB LEU A 61 67.976 -6.346 -7.513 1.00 0.00 C ATOM 941 CG LEU A 61 68.720 -6.508 -8.845 1.00 0.00 C ATOM 942 CD1 LEU A 61 67.756 -7.050 -9.899 1.00 0.00 C ATOM 943 CD2 LEU A 61 69.272 -5.153 -9.312 1.00 0.00 C ATOM 0 H LEU A 61 68.749 -4.117 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 61 66.793 -4.824 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 61 68.684 -6.377 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 61 67.283 -7.175 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 61 69.549 -7.202 -8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 61 68.281 -7.166 -10.847 1.00 0.00 H new ATOM 0 HD12 LEU A 61 67.371 -8.017 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 61 66.927 -6.354 -10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 61 69.798 -5.281 -10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 61 68.449 -4.451 -9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 61 69.962 -4.764 -8.563 1.00 0.00 H new ATOM 955 N PHE A 62 65.993 -4.122 -5.615 1.00 0.00 N ATOM 956 CA PHE A 62 64.913 -4.128 -4.591 1.00 0.00 C ATOM 957 C PHE A 62 63.549 -4.226 -5.271 1.00 0.00 C ATOM 958 O PHE A 62 63.299 -3.601 -6.283 1.00 0.00 O ATOM 959 CB PHE A 62 64.975 -2.829 -3.792 1.00 0.00 C ATOM 960 CG PHE A 62 63.848 -2.794 -2.792 1.00 0.00 C ATOM 961 CD1 PHE A 62 63.839 -3.687 -1.715 1.00 0.00 C ATOM 962 CD2 PHE A 62 62.812 -1.865 -2.940 1.00 0.00 C ATOM 963 CE1 PHE A 62 62.794 -3.651 -0.786 1.00 0.00 C ATOM 964 CE2 PHE A 62 61.766 -1.830 -2.012 1.00 0.00 C ATOM 965 CZ PHE A 62 61.757 -2.723 -0.935 1.00 0.00 C ATOM 0 H PHE A 62 66.626 -3.323 -5.573 1.00 0.00 H new ATOM 0 HA PHE A 62 65.050 -4.984 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 62 65.933 -2.752 -3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 62 64.905 -1.974 -4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 62 64.639 -4.404 -1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 62 62.820 -1.175 -3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 62 62.787 -4.339 0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 62 60.966 -1.114 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 62 60.950 -2.696 -0.218 1.00 0.00 H new ATOM 975 N ASP A 63 62.658 -4.991 -4.709 1.00 0.00 N ATOM 976 CA ASP A 63 61.301 -5.117 -5.302 1.00 0.00 C ATOM 977 C ASP A 63 60.377 -4.123 -4.599 1.00 0.00 C ATOM 978 O ASP A 63 59.868 -4.388 -3.529 1.00 0.00 O ATOM 979 CB ASP A 63 60.780 -6.541 -5.098 1.00 0.00 C ATOM 980 CG ASP A 63 60.123 -7.034 -6.389 1.00 0.00 C ATOM 981 OD1 ASP A 63 59.029 -6.582 -6.684 1.00 0.00 O ATOM 982 OD2 ASP A 63 60.726 -7.855 -7.061 1.00 0.00 O ATOM 0 H ASP A 63 62.812 -5.536 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 63 61.336 -4.906 -6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 63 61.600 -7.203 -4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 63 60.060 -6.563 -4.280 1.00 0.00 H new ATOM 987 N PHE A 64 60.174 -2.972 -5.182 1.00 0.00 N ATOM 988 CA PHE A 64 59.299 -1.953 -4.537 1.00 0.00 C ATOM 989 C PHE A 64 57.875 -2.505 -4.427 1.00 0.00 C ATOM 990 O PHE A 64 56.985 -2.109 -5.153 1.00 0.00 O ATOM 991 CB PHE A 64 59.297 -0.679 -5.386 1.00 0.00 C ATOM 992 CG PHE A 64 59.388 0.530 -4.485 1.00 0.00 C ATOM 993 CD1 PHE A 64 60.505 0.698 -3.656 1.00 0.00 C ATOM 994 CD2 PHE A 64 58.364 1.485 -4.481 1.00 0.00 C ATOM 995 CE1 PHE A 64 60.598 1.818 -2.823 1.00 0.00 C ATOM 996 CE2 PHE A 64 58.458 2.607 -3.646 1.00 0.00 C ATOM 997 CZ PHE A 64 59.574 2.773 -2.818 1.00 0.00 C ATOM 0 H PHE A 64 60.577 -2.694 -6.077 1.00 0.00 H new ATOM 0 HA PHE A 64 59.674 -1.722 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 64 60.137 -0.691 -6.081 1.00 0.00 H new ATOM 0 HB3 PHE A 64 58.388 -0.631 -5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 64 61.295 -0.038 -3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 64 57.503 1.357 -5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 64 61.459 1.946 -2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 64 57.669 3.344 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 64 59.645 3.638 -2.175 1.00 0.00 H new ATOM 1007 N LYS A 65 57.660 -3.424 -3.524 1.00 0.00 N ATOM 1008 CA LYS A 65 56.304 -4.016 -3.357 1.00 0.00 C ATOM 1009 C LYS A 65 56.404 -5.247 -2.453 1.00 0.00 C ATOM 1010 O LYS A 65 55.498 -5.557 -1.705 1.00 0.00 O ATOM 1011 CB LYS A 65 55.749 -4.426 -4.725 1.00 0.00 C ATOM 1012 CG LYS A 65 56.826 -5.170 -5.519 1.00 0.00 C ATOM 1013 CD LYS A 65 56.620 -6.679 -5.372 1.00 0.00 C ATOM 1014 CE LYS A 65 55.955 -7.230 -6.635 1.00 0.00 C ATOM 1015 NZ LYS A 65 56.998 -7.517 -7.660 1.00 0.00 N ATOM 0 H LYS A 65 58.371 -3.791 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 65 55.636 -3.282 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 65 54.874 -5.063 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 65 55.423 -3.543 -5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 65 56.778 -4.887 -6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 65 57.816 -4.891 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 65 57.578 -7.173 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 65 56.000 -6.889 -4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 65 55.401 -8.139 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 65 55.236 -6.509 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 56.670 -7.187 -8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 57.878 -7.023 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 57.175 -8.541 -7.698 1.00 0.00 H new ATOM 1029 N GLN A 66 57.504 -5.948 -2.513 1.00 0.00 N ATOM 1030 CA GLN A 66 57.670 -7.156 -1.656 1.00 0.00 C ATOM 1031 C GLN A 66 58.596 -6.824 -0.484 1.00 0.00 C ATOM 1032 O GLN A 66 58.512 -7.417 0.574 1.00 0.00 O ATOM 1033 CB GLN A 66 58.282 -8.290 -2.484 1.00 0.00 C ATOM 1034 CG GLN A 66 57.690 -9.628 -2.035 1.00 0.00 C ATOM 1035 CD GLN A 66 58.108 -10.726 -3.015 1.00 0.00 C ATOM 1036 OE1 GLN A 66 59.310 -11.228 -2.939 1.00 0.00 O flip ATOM 1037 NE2 GLN A 66 57.332 -11.132 -3.857 1.00 0.00 N flip ATOM 0 H GLN A 66 58.296 -5.735 -3.120 1.00 0.00 H new ATOM 0 HA GLN A 66 56.698 -7.469 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 66 58.082 -8.129 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 66 59.365 -8.300 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 66 58.036 -9.872 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 66 56.603 -9.560 -1.990 1.00 0.00 H new ATOM 0 HE21 GLN A 66 56.392 -10.739 -3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 66 57.620 -11.865 -4.505 1.00 0.00 H new ATOM 1046 N GLY A 67 59.479 -5.878 -0.662 1.00 0.00 N ATOM 1047 CA GLY A 67 60.409 -5.506 0.443 1.00 0.00 C ATOM 1048 C GLY A 67 61.674 -6.363 0.362 1.00 0.00 C ATOM 1049 O GLY A 67 62.268 -6.703 1.366 1.00 0.00 O ATOM 0 H GLY A 67 59.596 -5.347 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 67 60.669 -4.450 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 67 59.921 -5.651 1.407 1.00 0.00 H new ATOM 1053 N ILE A 68 62.090 -6.719 -0.823 1.00 0.00 N ATOM 1054 CA ILE A 68 63.315 -7.557 -0.957 1.00 0.00 C ATOM 1055 C ILE A 68 64.143 -7.083 -2.156 1.00 0.00 C ATOM 1056 O ILE A 68 63.696 -6.289 -2.957 1.00 0.00 O ATOM 1057 CB ILE A 68 62.904 -9.015 -1.167 1.00 0.00 C ATOM 1058 CG1 ILE A 68 62.326 -9.182 -2.575 1.00 0.00 C ATOM 1059 CG2 ILE A 68 61.842 -9.397 -0.135 1.00 0.00 C ATOM 1060 CD1 ILE A 68 63.221 -10.121 -3.386 1.00 0.00 C ATOM 0 H ILE A 68 61.636 -6.467 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 68 63.915 -7.468 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 68 63.775 -9.660 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 68 61.315 -9.585 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 68 62.256 -8.213 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 68 61.548 -10.436 -0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 68 62.249 -9.275 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 68 60.971 -8.753 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 68 62.810 -10.240 -4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 68 64.224 -9.700 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 68 63.268 -11.093 -2.895 1.00 0.00 H new ATOM 1072 N LEU A 69 65.345 -7.576 -2.288 1.00 0.00 N ATOM 1073 CA LEU A 69 66.206 -7.175 -3.435 1.00 0.00 C ATOM 1074 C LEU A 69 67.046 -8.379 -3.858 1.00 0.00 C ATOM 1075 O LEU A 69 66.781 -9.496 -3.462 1.00 0.00 O ATOM 1076 CB LEU A 69 67.134 -6.033 -3.014 1.00 0.00 C ATOM 1077 CG LEU A 69 67.856 -6.416 -1.721 1.00 0.00 C ATOM 1078 CD1 LEU A 69 69.138 -5.593 -1.581 1.00 0.00 C ATOM 1079 CD2 LEU A 69 66.939 -6.138 -0.532 1.00 0.00 C ATOM 0 H LEU A 69 65.769 -8.244 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 69 65.583 -6.839 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 69 67.859 -5.830 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.560 -5.119 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 69 68.112 -7.475 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.649 -5.869 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.792 -5.790 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 69 68.888 -4.532 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.449 -6.409 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 69 66.685 -5.078 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 69 66.027 -6.728 -0.630 1.00 0.00 H new ATOM 1091 N CYS A 70 68.057 -8.169 -4.652 1.00 0.00 N ATOM 1092 CA CYS A 70 68.900 -9.318 -5.080 1.00 0.00 C ATOM 1093 C CYS A 70 70.260 -8.813 -5.568 1.00 0.00 C ATOM 1094 O CYS A 70 70.470 -7.629 -5.744 1.00 0.00 O ATOM 1095 CB CYS A 70 68.198 -10.068 -6.214 1.00 0.00 C ATOM 1096 SG CYS A 70 67.935 -11.792 -5.728 1.00 0.00 S ATOM 0 H CYS A 70 68.335 -7.259 -5.021 1.00 0.00 H new ATOM 0 HA CYS A 70 69.050 -9.989 -4.234 1.00 0.00 H new ATOM 0 HB2 CYS A 70 67.243 -9.594 -6.441 1.00 0.00 H new ATOM 0 HB3 CYS A 70 68.800 -10.023 -7.121 1.00 0.00 H new ATOM 0 HG CYS A 70 67.337 -12.428 -6.691 1.00 0.00 H new ATOM 1102 N TYR A 71 71.183 -9.707 -5.788 1.00 0.00 N ATOM 1103 CA TYR A 71 72.530 -9.291 -6.267 1.00 0.00 C ATOM 1104 C TYR A 71 73.391 -10.536 -6.499 1.00 0.00 C ATOM 1105 O TYR A 71 74.420 -10.701 -5.874 1.00 0.00 O ATOM 1106 CB TYR A 71 73.192 -8.400 -5.213 1.00 0.00 C ATOM 1107 CG TYR A 71 72.808 -8.880 -3.834 1.00 0.00 C ATOM 1108 CD1 TYR A 71 73.513 -9.933 -3.237 1.00 0.00 C ATOM 1109 CD2 TYR A 71 71.747 -8.272 -3.150 1.00 0.00 C ATOM 1110 CE1 TYR A 71 73.157 -10.378 -1.958 1.00 0.00 C ATOM 1111 CE2 TYR A 71 71.392 -8.717 -1.871 1.00 0.00 C ATOM 1112 CZ TYR A 71 72.097 -9.770 -1.275 1.00 0.00 C ATOM 1113 OH TYR A 71 71.747 -10.208 -0.014 1.00 0.00 O ATOM 0 H TYR A 71 71.062 -10.711 -5.656 1.00 0.00 H new ATOM 0 HA TYR A 71 72.432 -8.736 -7.200 1.00 0.00 H new ATOM 0 HB2 TYR A 71 74.275 -8.424 -5.329 1.00 0.00 H new ATOM 0 HB3 TYR A 71 72.880 -7.364 -5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 71 74.331 -10.402 -3.763 1.00 0.00 H new ATOM 0 HD2 TYR A 71 71.203 -7.460 -3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 71 73.700 -11.190 -1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 71 70.574 -8.248 -1.344 1.00 0.00 H new ATOM 0 HH TYR A 71 70.992 -9.678 0.318 1.00 0.00 H new ATOM 1123 N PRO A 72 72.939 -11.378 -7.395 1.00 0.00 N ATOM 1124 CA PRO A 72 73.642 -12.627 -7.738 1.00 0.00 C ATOM 1125 C PRO A 72 74.827 -12.338 -8.664 1.00 0.00 C ATOM 1126 O PRO A 72 74.845 -12.746 -9.809 1.00 0.00 O ATOM 1127 CB PRO A 72 72.575 -13.453 -8.460 1.00 0.00 C ATOM 1128 CG PRO A 72 71.524 -12.447 -8.986 1.00 0.00 C ATOM 1129 CD PRO A 72 71.685 -11.164 -8.149 1.00 0.00 C ATOM 0 HA PRO A 72 74.055 -13.139 -6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 72 73.013 -14.021 -9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 72 72.117 -14.174 -7.782 1.00 0.00 H new ATOM 0 HG2 PRO A 72 71.681 -12.241 -10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 72 70.517 -12.851 -8.886 1.00 0.00 H new ATOM 0 HD2 PRO A 72 71.748 -10.280 -8.783 1.00 0.00 H new ATOM 0 HD3 PRO A 72 70.838 -11.016 -7.479 1.00 0.00 H new ATOM 1137 N ALA A 73 75.817 -11.641 -8.179 1.00 0.00 N ATOM 1138 CA ALA A 73 76.998 -11.332 -9.033 1.00 0.00 C ATOM 1139 C ALA A 73 78.169 -12.231 -8.626 1.00 0.00 C ATOM 1140 O ALA A 73 78.218 -12.714 -7.513 1.00 0.00 O ATOM 1141 CB ALA A 73 77.394 -9.866 -8.846 1.00 0.00 C ATOM 0 H ALA A 73 75.859 -11.272 -7.229 1.00 0.00 H new ATOM 0 HA ALA A 73 76.747 -11.510 -10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 73 78.258 -9.640 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.561 -9.225 -9.133 1.00 0.00 H new ATOM 0 HB3 ALA A 73 77.646 -9.688 -7.801 1.00 0.00 H new ATOM 1147 N PRO A 74 79.079 -12.427 -9.546 1.00 0.00 N ATOM 1148 CA PRO A 74 80.270 -13.263 -9.318 1.00 0.00 C ATOM 1149 C PRO A 74 81.308 -12.500 -8.490 1.00 0.00 C ATOM 1150 O PRO A 74 81.409 -11.291 -8.564 1.00 0.00 O ATOM 1151 CB PRO A 74 80.790 -13.541 -10.732 1.00 0.00 C ATOM 1152 CG PRO A 74 80.228 -12.415 -11.633 1.00 0.00 C ATOM 1153 CD PRO A 74 79.007 -11.832 -10.897 1.00 0.00 C ATOM 0 HA PRO A 74 80.055 -14.176 -8.763 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.880 -13.546 -10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 74 80.460 -14.519 -11.082 1.00 0.00 H new ATOM 0 HG2 PRO A 74 80.980 -11.645 -11.806 1.00 0.00 H new ATOM 0 HG3 PRO A 74 79.942 -12.806 -12.609 1.00 0.00 H new ATOM 0 HD2 PRO A 74 79.050 -10.744 -10.855 1.00 0.00 H new ATOM 0 HD3 PRO A 74 78.076 -12.096 -11.399 1.00 0.00 H new ATOM 1161 N LYS A 75 82.078 -13.197 -7.700 1.00 0.00 N ATOM 1162 CA LYS A 75 83.107 -12.513 -6.867 1.00 0.00 C ATOM 1163 C LYS A 75 84.234 -13.495 -6.543 1.00 0.00 C ATOM 1164 O LYS A 75 84.991 -13.816 -7.444 1.00 0.00 O ATOM 1165 CB LYS A 75 82.466 -12.026 -5.566 1.00 0.00 C ATOM 1166 CG LYS A 75 83.472 -11.178 -4.786 1.00 0.00 C ATOM 1167 CD LYS A 75 83.590 -11.708 -3.355 1.00 0.00 C ATOM 1168 CE LYS A 75 82.359 -11.285 -2.552 1.00 0.00 C ATOM 1169 NZ LYS A 75 82.233 -12.145 -1.341 1.00 0.00 N ATOM 1170 OXT LYS A 75 84.321 -13.911 -5.399 1.00 0.00 O ATOM 0 H LYS A 75 82.039 -14.211 -7.595 1.00 0.00 H new ATOM 0 HA LYS A 75 83.512 -11.662 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 75 81.574 -11.440 -5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 75 82.148 -12.877 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 75 84.445 -11.207 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 75 83.152 -10.136 -4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 75 83.676 -12.795 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 75 84.494 -11.321 -2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 75 82.445 -10.238 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 75 81.463 -11.372 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 81.396 -11.856 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 82.132 -13.139 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 83.083 -12.040 -0.751 1.00 0.00 H new TER 1184 LYS A 75