USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 388 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 9 ASN : amide:sc=-0.000191 X(o=-0.00019,f=-0.078) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.52 K(o=-0.52,f=-5.6!) USER MOD Single : A 16 GLN : amide:sc=-0.00663 K(o=-0.0066,f=-0.9) USER MOD Single : A 17 SER OG : rot 180:sc= 0.16 USER MOD Single : A 19 CYS SG : rot -16:sc= -0.7 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 18:sc= 0.695 USER MOD Single : A 27 SER OG : rot -59:sc= 0.0568 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 70:sc= 0.602 USER MOD Single : A 46 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.097) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= -0.0608 (180deg=-0.357) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 39.653 -13.290 13.075 1.00 1.00 N ATOM 58 CA GLY A 5 40.217 -12.713 11.860 1.00 1.00 C ATOM 59 C GLY A 5 40.101 -13.685 10.691 1.00 1.00 C ATOM 60 O GLY A 5 40.898 -14.615 10.564 1.00 1.00 O ATOM 0 HA2 GLY A 5 39.699 -11.785 11.619 1.00 1.00 H new ATOM 0 HA3 GLY A 5 41.264 -12.460 12.025 1.00 1.00 H new ATOM 64 N ASP A 6 39.105 -13.463 9.839 1.00 1.00 N ATOM 65 CA ASP A 6 38.896 -14.327 8.683 1.00 1.00 C ATOM 66 C ASP A 6 40.151 -14.378 7.818 1.00 1.00 C ATOM 67 O ASP A 6 40.386 -15.355 7.106 1.00 1.00 O ATOM 68 CB ASP A 6 37.721 -13.809 7.851 1.00 1.00 C ATOM 69 CG ASP A 6 36.599 -14.842 7.836 1.00 1.00 C ATOM 70 OD1 ASP A 6 35.904 -14.946 8.833 1.00 1.00 O ATOM 71 OD2 ASP A 6 36.449 -15.511 6.827 1.00 1.00 O ATOM 0 H ASP A 6 38.435 -12.699 9.926 1.00 1.00 H new ATOM 0 HA ASP A 6 38.674 -15.333 9.040 1.00 1.00 H new ATOM 0 HB2 ASP A 6 37.356 -12.870 8.266 1.00 1.00 H new ATOM 0 HB3 ASP A 6 38.049 -13.601 6.833 1.00 1.00 H new ATOM 76 N PHE A 7 40.954 -13.321 7.885 1.00 1.00 N ATOM 77 CA PHE A 7 42.183 -13.256 7.103 1.00 1.00 C ATOM 78 C PHE A 7 43.316 -12.665 7.934 1.00 1.00 C ATOM 79 O PHE A 7 44.475 -13.053 7.787 1.00 1.00 O ATOM 80 CB PHE A 7 41.962 -12.401 5.854 1.00 1.00 C ATOM 81 CG PHE A 7 42.261 -10.956 6.174 1.00 1.00 C ATOM 82 CD1 PHE A 7 41.289 -10.160 6.791 1.00 1.00 C ATOM 83 CD2 PHE A 7 43.510 -10.412 5.853 1.00 1.00 C ATOM 84 CE1 PHE A 7 41.566 -8.821 7.088 1.00 1.00 C ATOM 85 CE2 PHE A 7 43.787 -9.072 6.149 1.00 1.00 C ATOM 86 CZ PHE A 7 42.815 -8.276 6.767 1.00 1.00 C ATOM 0 H PHE A 7 40.778 -12.503 8.468 1.00 1.00 H new ATOM 0 HA PHE A 7 42.457 -14.268 6.806 1.00 1.00 H new ATOM 0 HB2 PHE A 7 42.606 -12.746 5.045 1.00 1.00 H new ATOM 0 HB3 PHE A 7 40.933 -12.503 5.508 1.00 1.00 H new ATOM 0 HD1 PHE A 7 40.325 -10.579 7.038 1.00 1.00 H new ATOM 0 HD2 PHE A 7 44.260 -11.026 5.377 1.00 1.00 H new ATOM 0 HE1 PHE A 7 40.816 -8.208 7.565 1.00 1.00 H new ATOM 0 HE2 PHE A 7 44.751 -8.652 5.901 1.00 1.00 H new ATOM 0 HZ PHE A 7 43.029 -7.242 6.996 1.00 1.00 H new ATOM 96 N ASP A 8 42.974 -11.723 8.807 1.00 1.00 N ATOM 97 CA ASP A 8 43.972 -11.083 9.656 1.00 1.00 C ATOM 98 C ASP A 8 44.878 -12.129 10.298 1.00 1.00 C ATOM 99 O ASP A 8 44.583 -12.641 11.379 1.00 1.00 O ATOM 100 CB ASP A 8 43.281 -10.265 10.748 1.00 1.00 C ATOM 101 CG ASP A 8 44.241 -9.215 11.299 1.00 1.00 C ATOM 102 OD1 ASP A 8 44.643 -8.352 10.537 1.00 1.00 O ATOM 103 OD2 ASP A 8 44.559 -9.291 12.474 1.00 1.00 O ATOM 0 H ASP A 8 42.021 -11.388 8.945 1.00 1.00 H new ATOM 0 HA ASP A 8 44.579 -10.423 9.037 1.00 1.00 H new ATOM 0 HB2 ASP A 8 42.392 -9.781 10.344 1.00 1.00 H new ATOM 0 HB3 ASP A 8 42.948 -10.923 11.551 1.00 1.00 H new ATOM 108 N ASN A 9 45.982 -12.442 9.627 1.00 1.00 N ATOM 109 CA ASN A 9 46.923 -13.428 10.142 1.00 1.00 C ATOM 110 C ASN A 9 48.359 -12.959 9.932 1.00 1.00 C ATOM 111 O ASN A 9 49.207 -13.109 10.813 1.00 1.00 O ATOM 112 CB ASN A 9 46.715 -14.769 9.434 1.00 1.00 C ATOM 113 CG ASN A 9 48.061 -15.359 9.029 1.00 1.00 C ATOM 114 OD1 ASN A 9 48.782 -15.899 9.868 1.00 1.00 O ATOM 115 ND2 ASN A 9 48.445 -15.289 7.784 1.00 1.00 N ATOM 0 H ASN A 9 46.245 -12.030 8.732 1.00 1.00 H new ATOM 0 HA ASN A 9 46.744 -13.549 11.210 1.00 1.00 H new ATOM 0 HB2 ASN A 9 46.189 -15.460 10.093 1.00 1.00 H new ATOM 0 HB3 ASN A 9 46.089 -14.631 8.552 1.00 1.00 H new ATOM 0 HD21 ASN A 9 49.344 -15.682 7.505 1.00 1.00 H new ATOM 0 HD22 ASN A 9 47.846 -14.841 7.090 1.00 1.00 H new ATOM 122 N TYR A 10 48.626 -12.389 8.761 1.00 1.00 N ATOM 123 CA TYR A 10 49.964 -11.900 8.447 1.00 1.00 C ATOM 124 C TYR A 10 50.339 -10.740 9.362 1.00 1.00 C ATOM 125 O TYR A 10 51.432 -10.710 9.928 1.00 1.00 O ATOM 126 CB TYR A 10 50.023 -11.443 6.989 1.00 1.00 C ATOM 127 CG TYR A 10 49.699 -12.606 6.082 1.00 1.00 C ATOM 128 CD1 TYR A 10 50.659 -13.596 5.843 1.00 1.00 C ATOM 129 CD2 TYR A 10 48.438 -12.693 5.479 1.00 1.00 C ATOM 130 CE1 TYR A 10 50.358 -14.675 5.003 1.00 1.00 C ATOM 131 CE2 TYR A 10 48.137 -13.772 4.639 1.00 1.00 C ATOM 132 CZ TYR A 10 49.097 -14.762 4.400 1.00 1.00 C ATOM 133 OH TYR A 10 48.802 -15.825 3.571 1.00 1.00 O ATOM 0 H TYR A 10 47.939 -12.255 8.019 1.00 1.00 H new ATOM 0 HA TYR A 10 50.674 -12.713 8.602 1.00 1.00 H new ATOM 0 HB2 TYR A 10 49.316 -10.631 6.823 1.00 1.00 H new ATOM 0 HB3 TYR A 10 51.015 -11.054 6.759 1.00 1.00 H new ATOM 0 HD1 TYR A 10 51.632 -13.528 6.307 1.00 1.00 H new ATOM 0 HD2 TYR A 10 47.698 -11.928 5.662 1.00 1.00 H new ATOM 0 HE1 TYR A 10 51.098 -15.440 4.820 1.00 1.00 H new ATOM 0 HE2 TYR A 10 47.164 -13.840 4.175 1.00 1.00 H new ATOM 0 HH TYR A 10 47.886 -15.734 3.236 1.00 1.00 H new ATOM 143 N TYR A 11 49.425 -9.785 9.505 1.00 1.00 N ATOM 144 CA TYR A 11 49.671 -8.625 10.354 1.00 1.00 C ATOM 145 C TYR A 11 50.848 -7.813 9.824 1.00 1.00 C ATOM 146 O TYR A 11 51.806 -8.368 9.287 1.00 1.00 O ATOM 147 CB TYR A 11 49.966 -9.080 11.785 1.00 1.00 C ATOM 148 CG TYR A 11 49.062 -8.343 12.744 1.00 1.00 C ATOM 149 CD1 TYR A 11 49.299 -6.993 13.033 1.00 1.00 C ATOM 150 CD2 TYR A 11 47.986 -9.008 13.343 1.00 1.00 C ATOM 151 CE1 TYR A 11 48.462 -6.310 13.922 1.00 1.00 C ATOM 152 CE2 TYR A 11 47.147 -8.325 14.232 1.00 1.00 C ATOM 153 CZ TYR A 11 47.386 -6.976 14.522 1.00 1.00 C ATOM 154 OH TYR A 11 46.560 -6.302 15.399 1.00 1.00 O ATOM 0 H TYR A 11 48.513 -9.791 9.047 1.00 1.00 H new ATOM 0 HA TYR A 11 48.780 -7.998 10.348 1.00 1.00 H new ATOM 0 HB2 TYR A 11 49.811 -10.155 11.875 1.00 1.00 H new ATOM 0 HB3 TYR A 11 51.010 -8.887 12.031 1.00 1.00 H new ATOM 0 HD1 TYR A 11 50.128 -6.479 12.569 1.00 1.00 H new ATOM 0 HD2 TYR A 11 47.803 -10.049 13.119 1.00 1.00 H new ATOM 0 HE1 TYR A 11 48.646 -5.269 14.145 1.00 1.00 H new ATOM 0 HE2 TYR A 11 46.316 -8.838 14.694 1.00 1.00 H new ATOM 0 HH TYR A 11 45.863 -6.909 15.724 1.00 1.00 H new ATOM 164 N GLY A 12 50.768 -6.496 9.979 1.00 1.00 N ATOM 165 CA GLY A 12 51.832 -5.615 9.512 1.00 1.00 C ATOM 166 C GLY A 12 52.301 -6.019 8.118 1.00 1.00 C ATOM 167 O GLY A 12 53.491 -5.953 7.810 1.00 1.00 O ATOM 0 H GLY A 12 49.983 -6.018 10.421 1.00 1.00 H new ATOM 0 HA2 GLY A 12 51.476 -4.585 9.496 1.00 1.00 H new ATOM 0 HA3 GLY A 12 52.671 -5.651 10.207 1.00 1.00 H new ATOM 171 N ALA A 13 51.357 -6.436 7.280 1.00 1.00 N ATOM 172 CA ALA A 13 51.685 -6.848 5.920 1.00 1.00 C ATOM 173 C ALA A 13 51.643 -5.654 4.973 1.00 1.00 C ATOM 174 O ALA A 13 52.608 -4.898 4.867 1.00 1.00 O ATOM 175 CB ALA A 13 50.697 -7.915 5.445 1.00 1.00 C ATOM 0 H ALA A 13 50.367 -6.497 7.516 1.00 1.00 H new ATOM 0 HA ALA A 13 52.694 -7.261 5.919 1.00 1.00 H new ATOM 0 HB1 ALA A 13 50.949 -8.217 4.428 1.00 1.00 H new ATOM 0 HB2 ALA A 13 50.751 -8.781 6.105 1.00 1.00 H new ATOM 0 HB3 ALA A 13 49.686 -7.508 5.463 1.00 1.00 H new ATOM 181 N ASP A 14 50.516 -5.490 4.286 1.00 1.00 N ATOM 182 CA ASP A 14 50.358 -4.383 3.350 1.00 1.00 C ATOM 183 C ASP A 14 50.578 -3.049 4.056 1.00 1.00 C ATOM 184 O ASP A 14 50.898 -2.044 3.420 1.00 1.00 O ATOM 185 CB ASP A 14 48.957 -4.414 2.738 1.00 1.00 C ATOM 186 CG ASP A 14 49.045 -4.735 1.250 1.00 1.00 C ATOM 187 OD1 ASP A 14 49.476 -5.829 0.925 1.00 1.00 O ATOM 188 OD2 ASP A 14 48.680 -3.883 0.457 1.00 1.00 O ATOM 0 H ASP A 14 49.705 -6.104 4.359 1.00 1.00 H new ATOM 0 HA ASP A 14 51.102 -4.490 2.560 1.00 1.00 H new ATOM 0 HB2 ASP A 14 48.347 -5.162 3.244 1.00 1.00 H new ATOM 0 HB3 ASP A 14 48.467 -3.451 2.882 1.00 1.00 H new ATOM 193 N ASN A 15 50.406 -3.047 5.374 1.00 1.00 N ATOM 194 CA ASN A 15 50.588 -1.829 6.156 1.00 1.00 C ATOM 195 C ASN A 15 51.928 -1.176 5.826 1.00 1.00 C ATOM 196 O ASN A 15 52.037 0.049 5.783 1.00 1.00 O ATOM 197 CB ASN A 15 50.532 -2.155 7.649 1.00 1.00 C ATOM 198 CG ASN A 15 49.277 -2.962 7.960 1.00 1.00 C ATOM 199 OD1 ASN A 15 49.360 -4.040 8.549 1.00 1.00 O ATOM 200 ND2 ASN A 15 48.109 -2.504 7.596 1.00 1.00 N ATOM 0 H ASN A 15 50.143 -3.868 5.919 1.00 1.00 H new ATOM 0 HA ASN A 15 49.786 -1.135 5.905 1.00 1.00 H new ATOM 0 HB2 ASN A 15 51.418 -2.719 7.940 1.00 1.00 H new ATOM 0 HB3 ASN A 15 50.535 -1.233 8.231 1.00 1.00 H new ATOM 0 HD21 ASN A 15 47.265 -3.040 7.800 1.00 1.00 H new ATOM 0 HD22 ASN A 15 48.041 -1.611 7.108 1.00 1.00 H new ATOM 207 N GLN A 16 52.941 -2.002 5.594 1.00 1.00 N ATOM 208 CA GLN A 16 54.269 -1.494 5.268 1.00 1.00 C ATOM 209 C GLN A 16 54.516 -1.563 3.765 1.00 1.00 C ATOM 210 O GLN A 16 55.602 -1.935 3.320 1.00 1.00 O ATOM 211 CB GLN A 16 55.335 -2.310 6.001 1.00 1.00 C ATOM 212 CG GLN A 16 54.779 -2.791 7.342 1.00 1.00 C ATOM 213 CD GLN A 16 55.919 -3.019 8.328 1.00 1.00 C ATOM 214 OE1 GLN A 16 57.069 -3.181 7.921 1.00 1.00 O ATOM 215 NE2 GLN A 16 55.669 -3.041 9.608 1.00 1.00 N ATOM 0 H GLN A 16 52.870 -3.019 5.625 1.00 1.00 H new ATOM 0 HA GLN A 16 54.327 -0.453 5.586 1.00 1.00 H new ATOM 0 HB2 GLN A 16 55.636 -3.163 5.393 1.00 1.00 H new ATOM 0 HB3 GLN A 16 56.226 -1.703 6.162 1.00 1.00 H new ATOM 0 HG2 GLN A 16 54.083 -2.053 7.742 1.00 1.00 H new ATOM 0 HG3 GLN A 16 54.218 -3.715 7.202 1.00 1.00 H new ATOM 0 HE21 GLN A 16 54.715 -2.907 9.944 1.00 1.00 H new ATOM 0 HE22 GLN A 16 56.427 -3.193 10.273 1.00 1.00 H new ATOM 224 N SER A 17 53.501 -1.203 2.986 1.00 1.00 N ATOM 225 CA SER A 17 53.619 -1.229 1.533 1.00 1.00 C ATOM 226 C SER A 17 52.716 -0.174 0.902 1.00 1.00 C ATOM 227 O SER A 17 52.264 0.752 1.576 1.00 1.00 O ATOM 228 CB SER A 17 53.238 -2.612 1.002 1.00 1.00 C ATOM 229 OG SER A 17 53.880 -2.828 -0.247 1.00 1.00 O ATOM 0 H SER A 17 52.594 -0.892 3.334 1.00 1.00 H new ATOM 0 HA SER A 17 54.654 -1.011 1.268 1.00 1.00 H new ATOM 0 HB2 SER A 17 53.534 -3.382 1.714 1.00 1.00 H new ATOM 0 HB3 SER A 17 52.157 -2.684 0.886 1.00 1.00 H new ATOM 0 HG SER A 17 53.639 -3.714 -0.590 1.00 1.00 H new ATOM 235 N GLU A 18 52.457 -0.321 -0.393 1.00 1.00 N ATOM 236 CA GLU A 18 51.606 0.626 -1.104 1.00 1.00 C ATOM 237 C GLU A 18 50.231 0.709 -0.447 1.00 1.00 C ATOM 238 O GLU A 18 49.271 0.096 -0.912 1.00 1.00 O ATOM 239 CB GLU A 18 51.450 0.195 -2.563 1.00 1.00 C ATOM 240 CG GLU A 18 52.804 0.282 -3.269 1.00 1.00 C ATOM 241 CD GLU A 18 53.050 -0.985 -4.084 1.00 1.00 C ATOM 242 OE1 GLU A 18 52.507 -1.080 -5.172 1.00 1.00 O ATOM 243 OE2 GLU A 18 53.778 -1.840 -3.607 1.00 1.00 O ATOM 0 H GLU A 18 52.821 -1.081 -0.968 1.00 1.00 H new ATOM 0 HA GLU A 18 52.076 1.609 -1.064 1.00 1.00 H new ATOM 0 HB2 GLU A 18 51.067 -0.824 -2.613 1.00 1.00 H new ATOM 0 HB3 GLU A 18 50.724 0.834 -3.066 1.00 1.00 H new ATOM 0 HG2 GLU A 18 52.828 1.155 -3.922 1.00 1.00 H new ATOM 0 HG3 GLU A 18 53.599 0.412 -2.534 1.00 1.00 H new ATOM 250 N CYS A 19 50.146 1.473 0.637 1.00 1.00 N ATOM 251 CA CYS A 19 48.883 1.629 1.351 1.00 1.00 C ATOM 252 C CYS A 19 48.219 2.952 0.982 1.00 1.00 C ATOM 253 O CYS A 19 46.996 3.034 0.869 1.00 1.00 O ATOM 254 CB CYS A 19 49.127 1.583 2.861 1.00 1.00 C ATOM 255 SG CYS A 19 47.575 1.911 3.733 1.00 1.00 S ATOM 0 H CYS A 19 50.929 1.990 1.038 1.00 1.00 H new ATOM 0 HA CYS A 19 48.222 0.811 1.065 1.00 1.00 H new ATOM 0 HB2 CYS A 19 49.518 0.607 3.147 1.00 1.00 H new ATOM 0 HB3 CYS A 19 49.877 2.322 3.142 1.00 1.00 H new ATOM 0 HG CYS A 19 46.716 2.433 2.909 1.00 1.00 H new ATOM 261 N GLU A 20 49.033 3.986 0.795 1.00 1.00 N ATOM 262 CA GLU A 20 48.513 5.301 0.438 1.00 1.00 C ATOM 263 C GLU A 20 49.526 6.066 -0.408 1.00 1.00 C ATOM 264 O GLU A 20 49.872 7.206 -0.098 1.00 1.00 O ATOM 265 CB GLU A 20 48.197 6.098 1.705 1.00 1.00 C ATOM 266 CG GLU A 20 47.109 5.377 2.503 1.00 1.00 C ATOM 267 CD GLU A 20 46.546 6.306 3.574 1.00 1.00 C ATOM 268 OE1 GLU A 20 47.314 6.739 4.418 1.00 1.00 O ATOM 269 OE2 GLU A 20 45.356 6.572 3.534 1.00 1.00 O ATOM 0 H GLU A 20 50.048 3.940 0.884 1.00 1.00 H new ATOM 0 HA GLU A 20 47.601 5.166 -0.143 1.00 1.00 H new ATOM 0 HB2 GLU A 20 49.096 6.208 2.312 1.00 1.00 H new ATOM 0 HB3 GLU A 20 47.865 7.102 1.442 1.00 1.00 H new ATOM 0 HG2 GLU A 20 46.311 5.053 1.835 1.00 1.00 H new ATOM 0 HG3 GLU A 20 47.520 4.481 2.967 1.00 1.00 H new ATOM 276 N TYR A 21 49.997 5.432 -1.476 1.00 1.00 N ATOM 277 CA TYR A 21 50.970 6.063 -2.359 1.00 1.00 C ATOM 278 C TYR A 21 50.634 5.776 -3.820 1.00 1.00 C ATOM 279 O TYR A 21 51.429 6.057 -4.717 1.00 1.00 O ATOM 280 CB TYR A 21 52.374 5.543 -2.046 1.00 1.00 C ATOM 281 CG TYR A 21 52.800 6.031 -0.683 1.00 1.00 C ATOM 282 CD1 TYR A 21 52.310 5.405 0.470 1.00 1.00 C ATOM 283 CD2 TYR A 21 53.684 7.111 -0.571 1.00 1.00 C ATOM 284 CE1 TYR A 21 52.704 5.859 1.734 1.00 1.00 C ATOM 285 CE2 TYR A 21 54.079 7.565 0.694 1.00 1.00 C ATOM 286 CZ TYR A 21 53.588 6.938 1.847 1.00 1.00 C ATOM 287 OH TYR A 21 53.977 7.386 3.093 1.00 1.00 O ATOM 0 H TYR A 21 49.723 4.488 -1.750 1.00 1.00 H new ATOM 0 HA TYR A 21 50.936 7.140 -2.195 1.00 1.00 H new ATOM 0 HB2 TYR A 21 52.384 4.453 -2.073 1.00 1.00 H new ATOM 0 HB3 TYR A 21 53.078 5.887 -2.804 1.00 1.00 H new ATOM 0 HD1 TYR A 21 51.628 4.572 0.384 1.00 1.00 H new ATOM 0 HD2 TYR A 21 54.061 7.594 -1.460 1.00 1.00 H new ATOM 0 HE1 TYR A 21 52.325 5.376 2.623 1.00 1.00 H new ATOM 0 HE2 TYR A 21 54.761 8.398 0.781 1.00 1.00 H new ATOM 0 HH TYR A 21 54.594 8.141 2.991 1.00 1.00 H new ATOM 297 N THR A 22 49.451 5.216 -4.050 1.00 1.00 N ATOM 298 CA THR A 22 49.019 4.896 -5.406 1.00 1.00 C ATOM 299 C THR A 22 47.577 4.400 -5.405 1.00 1.00 C ATOM 300 O THR A 22 46.815 4.678 -6.332 1.00 1.00 O ATOM 301 CB THR A 22 49.930 3.821 -6.004 1.00 1.00 C ATOM 302 OG1 THR A 22 49.438 3.443 -7.281 1.00 1.00 O ATOM 303 CG2 THR A 22 49.954 2.599 -5.083 1.00 1.00 C ATOM 0 H THR A 22 48.779 4.976 -3.321 1.00 1.00 H new ATOM 0 HA THR A 22 49.080 5.801 -6.010 1.00 1.00 H new ATOM 0 HB THR A 22 50.941 4.217 -6.106 1.00 1.00 H new ATOM 0 HG1 THR A 22 50.021 2.756 -7.666 1.00 1.00 H new ATOM 0 HG21 THR A 22 50.603 1.834 -5.510 1.00 1.00 H new ATOM 0 HG22 THR A 22 50.332 2.890 -4.103 1.00 1.00 H new ATOM 0 HG23 THR A 22 48.944 2.202 -4.980 1.00 1.00 H new ATOM 311 N ASP A 23 47.208 3.666 -4.361 1.00 1.00 N ATOM 312 CA ASP A 23 45.854 3.137 -4.252 1.00 1.00 C ATOM 313 C ASP A 23 44.877 4.242 -3.863 1.00 1.00 C ATOM 314 O ASP A 23 43.793 3.972 -3.346 1.00 1.00 O ATOM 315 CB ASP A 23 45.811 2.024 -3.203 1.00 1.00 C ATOM 316 CG ASP A 23 46.374 2.532 -1.880 1.00 1.00 C ATOM 317 OD1 ASP A 23 45.600 3.043 -1.087 1.00 1.00 O ATOM 318 OD2 ASP A 23 47.571 2.403 -1.679 1.00 1.00 O ATOM 0 H ASP A 23 47.823 3.425 -3.583 1.00 1.00 H new ATOM 0 HA ASP A 23 45.562 2.734 -5.222 1.00 1.00 H new ATOM 0 HB2 ASP A 23 44.785 1.683 -3.064 1.00 1.00 H new ATOM 0 HB3 ASP A 23 46.388 1.166 -3.548 1.00 1.00 H new ATOM 323 N TRP A 24 45.267 5.486 -4.118 1.00 1.00 N ATOM 324 CA TRP A 24 44.416 6.625 -3.792 1.00 1.00 C ATOM 325 C TRP A 24 44.449 7.658 -4.913 1.00 1.00 C ATOM 326 O TRP A 24 43.407 8.065 -5.426 1.00 1.00 O ATOM 327 CB TRP A 24 44.888 7.271 -2.487 1.00 1.00 C ATOM 328 CG TRP A 24 46.255 7.844 -2.680 1.00 1.00 C ATOM 329 CD1 TRP A 24 47.401 7.127 -2.713 1.00 1.00 C ATOM 330 CD2 TRP A 24 46.639 9.238 -2.867 1.00 1.00 C ATOM 331 NE1 TRP A 24 48.464 7.990 -2.908 1.00 1.00 N ATOM 332 CE2 TRP A 24 48.045 9.302 -3.010 1.00 1.00 C ATOM 333 CE3 TRP A 24 45.911 10.440 -2.927 1.00 1.00 C ATOM 334 CZ2 TRP A 24 48.706 10.516 -3.204 1.00 1.00 C ATOM 335 CZ3 TRP A 24 46.573 11.663 -3.123 1.00 1.00 C ATOM 336 CH2 TRP A 24 47.967 11.701 -3.261 1.00 1.00 C ATOM 0 H TRP A 24 46.160 5.731 -4.546 1.00 1.00 H new ATOM 0 HA TRP A 24 43.393 6.268 -3.673 1.00 1.00 H new ATOM 0 HB2 TRP A 24 44.193 8.054 -2.185 1.00 1.00 H new ATOM 0 HB3 TRP A 24 44.902 6.531 -1.687 1.00 1.00 H new ATOM 0 HD1 TRP A 24 47.474 6.055 -2.605 1.00 1.00 H new ATOM 0 HE1 TRP A 24 49.438 7.694 -2.969 1.00 1.00 H new ATOM 0 HE3 TRP A 24 44.836 10.422 -2.822 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 49.781 10.539 -3.309 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 46.004 12.580 -3.168 1.00 1.00 H new ATOM 0 HH2 TRP A 24 48.470 12.645 -3.411 1.00 1.00 H new ATOM 347 N LYS A 25 45.653 8.078 -5.290 1.00 1.00 N ATOM 348 CA LYS A 25 45.809 9.064 -6.353 1.00 1.00 C ATOM 349 C LYS A 25 44.793 10.189 -6.193 1.00 1.00 C ATOM 350 O LYS A 25 45.025 11.149 -5.456 1.00 1.00 O ATOM 351 CB LYS A 25 45.623 8.395 -7.717 1.00 1.00 C ATOM 352 CG LYS A 25 46.828 7.502 -8.018 1.00 1.00 C ATOM 353 CD LYS A 25 47.886 8.309 -8.773 1.00 1.00 C ATOM 354 CE LYS A 25 49.263 7.679 -8.552 1.00 1.00 C ATOM 355 NZ LYS A 25 50.284 8.432 -9.332 1.00 1.00 N ATOM 0 H LYS A 25 46.528 7.754 -4.879 1.00 1.00 H new ATOM 0 HA LYS A 25 46.813 9.485 -6.289 1.00 1.00 H new ATOM 0 HB2 LYS A 25 44.708 7.802 -7.721 1.00 1.00 H new ATOM 0 HB3 LYS A 25 45.516 9.152 -8.493 1.00 1.00 H new ATOM 0 HG2 LYS A 25 47.246 7.113 -7.090 1.00 1.00 H new ATOM 0 HG3 LYS A 25 46.518 6.643 -8.613 1.00 1.00 H new ATOM 0 HD2 LYS A 25 47.651 8.331 -9.837 1.00 1.00 H new ATOM 0 HD3 LYS A 25 47.887 9.342 -8.425 1.00 1.00 H new ATOM 0 HE2 LYS A 25 49.516 7.694 -7.492 1.00 1.00 H new ATOM 0 HE3 LYS A 25 49.251 6.634 -8.862 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 51.220 8.004 -9.182 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 50.045 8.396 -10.343 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 50.301 9.423 -9.016 1.00 1.00 H new ATOM 369 N SER A 26 43.666 10.067 -6.888 1.00 1.00 N ATOM 370 CA SER A 26 42.621 11.081 -6.814 1.00 1.00 C ATOM 371 C SER A 26 41.366 10.610 -7.542 1.00 1.00 C ATOM 372 O SER A 26 41.414 10.260 -8.721 1.00 1.00 O ATOM 373 CB SER A 26 43.116 12.386 -7.439 1.00 1.00 C ATOM 374 OG SER A 26 43.303 12.196 -8.836 1.00 1.00 O ATOM 0 H SER A 26 43.454 9.282 -7.504 1.00 1.00 H new ATOM 0 HA SER A 26 42.377 11.250 -5.765 1.00 1.00 H new ATOM 0 HB2 SER A 26 42.395 13.184 -7.262 1.00 1.00 H new ATOM 0 HB3 SER A 26 44.052 12.694 -6.973 1.00 1.00 H new ATOM 0 HG SER A 26 42.817 11.395 -9.125 1.00 1.00 H new ATOM 380 N SER A 27 40.244 10.604 -6.830 1.00 1.00 N ATOM 381 CA SER A 27 38.980 10.175 -7.419 1.00 1.00 C ATOM 382 C SER A 27 38.298 11.337 -8.133 1.00 1.00 C ATOM 383 O SER A 27 37.089 11.532 -8.009 1.00 1.00 O ATOM 384 CB SER A 27 38.056 9.630 -6.331 1.00 1.00 C ATOM 385 OG SER A 27 37.046 8.829 -6.930 1.00 1.00 O ATOM 0 H SER A 27 40.183 10.889 -5.852 1.00 1.00 H new ATOM 0 HA SER A 27 39.188 9.390 -8.146 1.00 1.00 H new ATOM 0 HB2 SER A 27 38.627 9.040 -5.615 1.00 1.00 H new ATOM 0 HB3 SER A 27 37.603 10.452 -5.777 1.00 1.00 H new ATOM 0 HG SER A 27 36.539 9.368 -7.572 1.00 1.00 H new ATOM 391 N GLY A 28 39.083 12.109 -8.880 1.00 1.00 N ATOM 392 CA GLY A 28 38.543 13.250 -9.608 1.00 1.00 C ATOM 393 C GLY A 28 38.857 14.555 -8.886 1.00 1.00 C ATOM 394 O GLY A 28 38.287 15.601 -9.197 1.00 1.00 O ATOM 0 H GLY A 28 40.086 11.966 -8.996 1.00 1.00 H new ATOM 0 HA2 GLY A 28 38.963 13.276 -10.614 1.00 1.00 H new ATOM 0 HA3 GLY A 28 37.464 13.140 -9.716 1.00 1.00 H new ATOM 398 N ALA A 29 39.766 14.486 -7.919 1.00 1.00 N ATOM 399 CA ALA A 29 40.148 15.670 -7.158 1.00 1.00 C ATOM 400 C ALA A 29 39.095 15.991 -6.102 1.00 1.00 C ATOM 401 O ALA A 29 38.886 17.153 -5.753 1.00 1.00 O ATOM 402 CB ALA A 29 40.313 16.866 -8.097 1.00 1.00 C ATOM 0 H ALA A 29 40.249 13.630 -7.645 1.00 1.00 H new ATOM 0 HA ALA A 29 41.096 15.467 -6.660 1.00 1.00 H new ATOM 0 HB1 ALA A 29 40.598 17.745 -7.520 1.00 1.00 H new ATOM 0 HB2 ALA A 29 41.088 16.647 -8.832 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.371 17.059 -8.610 1.00 1.00 H new ATOM 408 N LEU A 30 38.434 14.954 -5.599 1.00 1.00 N ATOM 409 CA LEU A 30 37.403 15.138 -4.583 1.00 1.00 C ATOM 410 C LEU A 30 37.953 14.801 -3.201 1.00 1.00 C ATOM 411 O LEU A 30 37.195 14.581 -2.256 1.00 1.00 O ATOM 412 CB LEU A 30 36.200 14.238 -4.890 1.00 1.00 C ATOM 413 CG LEU A 30 35.229 14.954 -5.840 1.00 1.00 C ATOM 414 CD1 LEU A 30 34.553 16.133 -5.127 1.00 1.00 C ATOM 415 CD2 LEU A 30 35.997 15.471 -7.059 1.00 1.00 C ATOM 0 H LEU A 30 38.591 13.985 -5.875 1.00 1.00 H new ATOM 0 HA LEU A 30 37.087 16.181 -4.594 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.540 13.306 -5.341 1.00 1.00 H new ATOM 0 HB3 LEU A 30 35.687 13.976 -3.964 1.00 1.00 H new ATOM 0 HG LEU A 30 34.462 14.247 -6.157 1.00 1.00 H new ATOM 0 HD11 LEU A 30 33.868 16.630 -5.814 1.00 1.00 H new ATOM 0 HD12 LEU A 30 33.998 15.766 -4.263 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.312 16.842 -4.796 1.00 1.00 H new ATOM 0 HD21 LEU A 30 35.309 15.979 -7.734 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.768 16.169 -6.734 1.00 1.00 H new ATOM 0 HD23 LEU A 30 36.462 14.633 -7.578 1.00 1.00 H new ATOM 427 N ILE A 31 39.277 14.763 -3.089 1.00 1.00 N ATOM 428 CA ILE A 31 39.918 14.451 -1.817 1.00 1.00 C ATOM 429 C ILE A 31 40.136 15.718 -0.984 1.00 1.00 C ATOM 430 O ILE A 31 39.963 15.696 0.234 1.00 1.00 O ATOM 431 CB ILE A 31 41.262 13.752 -2.051 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.297 13.134 -3.457 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.453 12.650 -1.006 1.00 1.00 C ATOM 434 CD1 ILE A 31 40.087 12.216 -3.666 1.00 1.00 C ATOM 0 H ILE A 31 39.923 14.943 -3.858 1.00 1.00 H new ATOM 0 HA ILE A 31 39.256 13.782 -1.267 1.00 1.00 H new ATOM 0 HB ILE A 31 42.064 14.485 -1.963 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.297 13.923 -4.209 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.219 12.568 -3.590 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.409 12.153 -1.172 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.441 13.089 -0.008 1.00 1.00 H new ATOM 0 HG23 ILE A 31 40.646 11.923 -1.092 1.00 1.00 H new ATOM 0 HD11 ILE A 31 40.125 11.785 -4.667 1.00 1.00 H new ATOM 0 HD12 ILE A 31 40.105 11.416 -2.926 1.00 1.00 H new ATOM 0 HD13 ILE A 31 39.169 12.793 -3.554 1.00 1.00 H new ATOM 446 N PRO A 32 40.511 16.812 -1.603 1.00 1.00 N ATOM 447 CA PRO A 32 40.749 18.097 -0.879 1.00 1.00 C ATOM 448 C PRO A 32 39.501 18.583 -0.145 1.00 1.00 C ATOM 449 O PRO A 32 39.508 19.651 0.467 1.00 1.00 O ATOM 450 CB PRO A 32 41.153 19.086 -1.980 1.00 1.00 C ATOM 451 CG PRO A 32 41.547 18.250 -3.151 1.00 1.00 C ATOM 452 CD PRO A 32 40.747 16.955 -3.047 1.00 1.00 C ATOM 0 HA PRO A 32 41.511 17.987 -0.108 1.00 1.00 H new ATOM 0 HB2 PRO A 32 40.326 19.749 -2.233 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.979 19.718 -1.654 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.330 18.766 -4.086 1.00 1.00 H new ATOM 0 HG3 PRO A 32 42.618 18.047 -3.140 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.811 17.016 -3.602 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.302 16.107 -3.449 1.00 1.00 H new ATOM 460 N ALA A 33 38.434 17.790 -0.215 1.00 1.00 N ATOM 461 CA ALA A 33 37.180 18.145 0.444 1.00 1.00 C ATOM 462 C ALA A 33 36.673 16.983 1.291 1.00 1.00 C ATOM 463 O ALA A 33 36.511 17.112 2.504 1.00 1.00 O ATOM 464 CB ALA A 33 36.127 18.514 -0.603 1.00 1.00 C ATOM 0 H ALA A 33 38.412 16.903 -0.718 1.00 1.00 H new ATOM 0 HA ALA A 33 37.362 19.001 1.094 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.194 18.778 -0.104 1.00 1.00 H new ATOM 0 HB2 ALA A 33 36.478 19.364 -1.188 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.957 17.664 -1.264 1.00 1.00 H new ATOM 470 N ILE A 34 36.424 15.850 0.644 1.00 1.00 N ATOM 471 CA ILE A 34 35.934 14.670 1.350 1.00 1.00 C ATOM 472 C ILE A 34 36.765 14.414 2.603 1.00 1.00 C ATOM 473 O ILE A 34 36.229 14.327 3.708 1.00 1.00 O ATOM 474 CB ILE A 34 35.999 13.448 0.433 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.782 13.443 -0.495 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.998 12.173 1.280 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.988 12.410 -1.604 1.00 1.00 C ATOM 0 H ILE A 34 36.552 15.723 -0.360 1.00 1.00 H new ATOM 0 HA ILE A 34 34.899 14.848 1.643 1.00 1.00 H new ATOM 0 HB ILE A 34 36.911 13.488 -0.162 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.881 13.209 0.072 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.638 14.433 -0.928 1.00 1.00 H new ATOM 0 HG21 ILE A 34 36.044 11.302 0.626 1.00 1.00 H new ATOM 0 HG22 ILE A 34 36.863 12.176 1.943 1.00 1.00 H new ATOM 0 HG23 ILE A 34 35.086 12.132 1.875 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.121 12.407 -2.264 1.00 1.00 H new ATOM 0 HD12 ILE A 34 35.880 12.664 -2.177 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.111 11.421 -1.162 1.00 1.00 H new ATOM 489 N TYR A 35 38.076 14.292 2.424 1.00 1.00 N ATOM 490 CA TYR A 35 38.971 14.046 3.549 1.00 1.00 C ATOM 491 C TYR A 35 39.073 15.283 4.434 1.00 1.00 C ATOM 492 O TYR A 35 39.379 15.185 5.623 1.00 1.00 O ATOM 493 CB TYR A 35 40.362 13.666 3.036 1.00 1.00 C ATOM 494 CG TYR A 35 41.408 14.451 3.790 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.769 15.733 3.358 1.00 1.00 C ATOM 496 CD2 TYR A 35 42.017 13.898 4.923 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.738 16.461 4.058 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.987 14.626 5.623 1.00 1.00 C ATOM 499 CZ TYR A 35 43.347 15.907 5.191 1.00 1.00 C ATOM 500 OH TYR A 35 44.304 16.625 5.880 1.00 1.00 O ATOM 0 H TYR A 35 38.540 14.359 1.518 1.00 1.00 H new ATOM 0 HA TYR A 35 38.565 13.225 4.139 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.530 12.597 3.167 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.437 13.872 1.968 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.300 16.160 2.484 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.739 12.909 5.257 1.00 1.00 H new ATOM 0 HE1 TYR A 35 43.016 17.450 3.724 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.457 14.199 6.496 1.00 1.00 H new ATOM 0 HH TYR A 35 44.625 16.097 6.641 1.00 1.00 H new ATOM 510 N MET A 36 38.815 16.447 3.847 1.00 1.00 N ATOM 511 CA MET A 36 38.882 17.699 4.593 1.00 1.00 C ATOM 512 C MET A 36 37.678 17.836 5.520 1.00 1.00 C ATOM 513 O MET A 36 37.754 18.488 6.561 1.00 1.00 O ATOM 514 CB MET A 36 38.919 18.883 3.625 1.00 1.00 C ATOM 515 CG MET A 36 39.657 20.053 4.278 1.00 1.00 C ATOM 516 SD MET A 36 39.572 21.500 3.194 1.00 1.00 S ATOM 517 CE MET A 36 38.133 22.278 3.967 1.00 1.00 C ATOM 0 H MET A 36 38.560 16.550 2.865 1.00 1.00 H new ATOM 0 HA MET A 36 39.791 17.693 5.194 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.419 18.595 2.700 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.905 19.181 3.360 1.00 1.00 H new ATOM 0 HG2 MET A 36 39.211 20.283 5.246 1.00 1.00 H new ATOM 0 HG3 MET A 36 40.697 19.784 4.462 1.00 1.00 H new ATOM 0 HE1 MET A 36 37.898 23.207 3.447 1.00 1.00 H new ATOM 0 HE2 MET A 36 37.279 21.603 3.908 1.00 1.00 H new ATOM 0 HE3 MET A 36 38.354 22.494 5.012 1.00 1.00 H new ATOM 527 N LEU A 37 36.568 17.215 5.135 1.00 1.00 N ATOM 528 CA LEU A 37 35.353 17.274 5.940 1.00 1.00 C ATOM 529 C LEU A 37 35.443 16.309 7.118 1.00 1.00 C ATOM 530 O LEU A 37 34.779 16.496 8.138 1.00 1.00 O ATOM 531 CB LEU A 37 34.138 16.921 5.080 1.00 1.00 C ATOM 532 CG LEU A 37 33.931 18.003 4.018 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.312 17.379 2.766 1.00 1.00 C ATOM 534 CD2 LEU A 37 32.995 19.081 4.566 1.00 1.00 C ATOM 0 H LEU A 37 36.484 16.669 4.277 1.00 1.00 H new ATOM 0 HA LEU A 37 35.243 18.288 6.324 1.00 1.00 H new ATOM 0 HB2 LEU A 37 34.286 15.952 4.603 1.00 1.00 H new ATOM 0 HB3 LEU A 37 33.249 16.836 5.705 1.00 1.00 H new ATOM 0 HG LEU A 37 34.892 18.450 3.763 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.165 18.150 2.010 1.00 1.00 H new ATOM 0 HD12 LEU A 37 33.978 16.610 2.375 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.351 16.931 3.020 1.00 1.00 H new ATOM 0 HD21 LEU A 37 32.847 19.852 3.810 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.034 18.633 4.821 1.00 1.00 H new ATOM 0 HD23 LEU A 37 33.436 19.527 5.458 1.00 1.00 H new ATOM 546 N VAL A 38 36.268 15.278 6.970 1.00 1.00 N ATOM 547 CA VAL A 38 36.436 14.289 8.029 1.00 1.00 C ATOM 548 C VAL A 38 36.908 14.957 9.317 1.00 1.00 C ATOM 549 O VAL A 38 36.615 14.484 10.415 1.00 1.00 O ATOM 550 CB VAL A 38 37.452 13.232 7.599 1.00 1.00 C ATOM 551 CG1 VAL A 38 37.788 12.331 8.789 1.00 1.00 C ATOM 552 CG2 VAL A 38 36.857 12.383 6.472 1.00 1.00 C ATOM 0 H VAL A 38 36.827 15.106 6.134 1.00 1.00 H new ATOM 0 HA VAL A 38 35.472 13.813 8.212 1.00 1.00 H new ATOM 0 HB VAL A 38 38.359 13.723 7.247 1.00 1.00 H new ATOM 0 HG11 VAL A 38 38.513 11.577 8.481 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.210 12.933 9.594 1.00 1.00 H new ATOM 0 HG13 VAL A 38 36.881 11.840 9.141 1.00 1.00 H new ATOM 0 HG21 VAL A 38 37.581 11.628 6.164 1.00 1.00 H new ATOM 0 HG22 VAL A 38 35.950 11.893 6.826 1.00 1.00 H new ATOM 0 HG23 VAL A 38 36.616 13.023 5.623 1.00 1.00 H new ATOM 562 N PHE A 39 37.640 16.056 9.174 1.00 1.00 N ATOM 563 CA PHE A 39 38.148 16.780 10.334 1.00 1.00 C ATOM 564 C PHE A 39 37.005 17.454 11.087 1.00 1.00 C ATOM 565 O PHE A 39 37.122 17.753 12.275 1.00 1.00 O ATOM 566 CB PHE A 39 39.161 17.835 9.889 1.00 1.00 C ATOM 567 CG PHE A 39 39.735 18.525 11.104 1.00 1.00 C ATOM 568 CD1 PHE A 39 39.034 19.573 11.712 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.971 18.116 11.622 1.00 1.00 C ATOM 570 CE1 PHE A 39 39.567 20.212 12.838 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.503 18.754 12.748 1.00 1.00 C ATOM 572 CZ PHE A 39 40.802 19.803 13.355 1.00 1.00 C ATOM 0 H PHE A 39 37.894 16.463 8.274 1.00 1.00 H new ATOM 0 HA PHE A 39 38.636 16.067 10.999 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.959 17.368 9.312 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.680 18.564 9.237 1.00 1.00 H new ATOM 0 HD1 PHE A 39 38.082 19.889 11.312 1.00 1.00 H new ATOM 0 HD2 PHE A 39 41.513 17.308 11.152 1.00 1.00 H new ATOM 0 HE1 PHE A 39 39.026 21.020 13.307 1.00 1.00 H new ATOM 0 HE2 PHE A 39 42.454 18.437 13.149 1.00 1.00 H new ATOM 0 HZ PHE A 39 41.214 20.297 14.222 1.00 1.00 H new ATOM 582 N LEU A 40 35.901 17.692 10.386 1.00 1.00 N ATOM 583 CA LEU A 40 34.741 18.330 10.996 1.00 1.00 C ATOM 584 C LEU A 40 33.456 17.629 10.566 1.00 1.00 C ATOM 585 O LEU A 40 32.386 18.237 10.536 1.00 1.00 O ATOM 586 CB LEU A 40 34.682 19.804 10.588 1.00 1.00 C ATOM 587 CG LEU A 40 34.621 19.909 9.063 1.00 1.00 C ATOM 588 CD1 LEU A 40 33.323 20.603 8.650 1.00 1.00 C ATOM 589 CD2 LEU A 40 35.815 20.724 8.562 1.00 1.00 C ATOM 0 H LEU A 40 35.786 17.454 9.401 1.00 1.00 H new ATOM 0 HA LEU A 40 34.836 18.256 12.079 1.00 1.00 H new ATOM 0 HB2 LEU A 40 33.808 20.280 11.031 1.00 1.00 H new ATOM 0 HB3 LEU A 40 35.558 20.332 10.965 1.00 1.00 H new ATOM 0 HG LEU A 40 34.652 18.910 8.628 1.00 1.00 H new ATOM 0 HD11 LEU A 40 33.280 20.678 7.563 1.00 1.00 H new ATOM 0 HD12 LEU A 40 32.471 20.025 9.008 1.00 1.00 H new ATOM 0 HD13 LEU A 40 33.291 21.602 9.084 1.00 1.00 H new ATOM 0 HD21 LEU A 40 35.773 20.800 7.475 1.00 1.00 H new ATOM 0 HD22 LEU A 40 35.782 21.723 8.997 1.00 1.00 H new ATOM 0 HD23 LEU A 40 36.741 20.231 8.856 1.00 1.00 H new ATOM 601 N LEU A 41 33.571 16.347 10.234 1.00 1.00 N ATOM 602 CA LEU A 41 32.413 15.573 9.806 1.00 1.00 C ATOM 603 C LEU A 41 32.776 14.098 9.669 1.00 1.00 C ATOM 604 O LEU A 41 32.518 13.478 8.637 1.00 1.00 O ATOM 605 CB LEU A 41 31.901 16.100 8.464 1.00 1.00 C ATOM 606 CG LEU A 41 30.509 15.534 8.187 1.00 1.00 C ATOM 607 CD1 LEU A 41 29.449 16.488 8.742 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.313 15.377 6.679 1.00 1.00 C ATOM 0 H LEU A 41 34.448 15.826 10.253 1.00 1.00 H new ATOM 0 HA LEU A 41 31.632 15.675 10.559 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.865 17.189 8.480 1.00 1.00 H new ATOM 0 HB3 LEU A 41 32.586 15.815 7.665 1.00 1.00 H new ATOM 0 HG LEU A 41 30.411 14.562 8.670 1.00 1.00 H new ATOM 0 HD11 LEU A 41 28.456 16.084 8.544 1.00 1.00 H new ATOM 0 HD12 LEU A 41 29.587 16.600 9.817 1.00 1.00 H new ATOM 0 HD13 LEU A 41 29.547 17.461 8.260 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.320 14.973 6.481 1.00 1.00 H new ATOM 0 HD22 LEU A 41 30.412 16.349 6.196 1.00 1.00 H new ATOM 0 HD23 LEU A 41 31.067 14.697 6.283 1.00 1.00 H new ATOM 620 N GLY A 42 33.376 13.541 10.717 1.00 1.00 N ATOM 621 CA GLY A 42 33.768 12.137 10.700 1.00 1.00 C ATOM 622 C GLY A 42 34.673 11.809 11.883 1.00 1.00 C ATOM 623 O GLY A 42 34.763 10.657 12.307 1.00 1.00 O ATOM 0 H GLY A 42 33.599 14.036 11.581 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.879 11.507 10.732 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.286 11.911 9.768 1.00 1.00 H new ATOM 627 N THR A 43 35.340 12.833 12.410 1.00 1.00 N ATOM 628 CA THR A 43 36.238 12.653 13.546 1.00 1.00 C ATOM 629 C THR A 43 35.859 13.603 14.677 1.00 1.00 C ATOM 630 O THR A 43 35.947 13.252 15.854 1.00 1.00 O ATOM 631 CB THR A 43 37.682 12.917 13.112 1.00 1.00 C ATOM 632 OG1 THR A 43 38.217 11.743 12.515 1.00 1.00 O ATOM 633 CG2 THR A 43 38.526 13.302 14.329 1.00 1.00 C ATOM 0 H THR A 43 35.276 13.792 12.070 1.00 1.00 H new ATOM 0 HA THR A 43 36.149 11.627 13.904 1.00 1.00 H new ATOM 0 HB THR A 43 37.699 13.734 12.391 1.00 1.00 H new ATOM 0 HG1 THR A 43 39.141 11.910 12.235 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.553 13.489 14.015 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.116 14.203 14.786 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.511 12.489 15.054 1.00 1.00 H new ATOM 641 N THR A 44 35.437 14.809 14.311 1.00 1.00 N ATOM 642 CA THR A 44 35.046 15.805 15.301 1.00 1.00 C ATOM 643 C THR A 44 33.930 15.265 16.190 1.00 1.00 C ATOM 644 O THR A 44 33.821 15.634 17.359 1.00 1.00 O ATOM 645 CB THR A 44 34.571 17.078 14.598 1.00 1.00 C ATOM 646 OG1 THR A 44 35.699 17.858 14.225 1.00 1.00 O ATOM 647 CG2 THR A 44 33.681 17.886 15.543 1.00 1.00 C ATOM 0 H THR A 44 35.357 15.119 13.342 1.00 1.00 H new ATOM 0 HA THR A 44 35.911 16.034 15.923 1.00 1.00 H new ATOM 0 HB THR A 44 34.001 16.810 13.708 1.00 1.00 H new ATOM 0 HG1 THR A 44 36.185 17.407 13.503 1.00 1.00 H new ATOM 0 HG21 THR A 44 33.344 18.792 15.040 1.00 1.00 H new ATOM 0 HG22 THR A 44 32.816 17.287 15.829 1.00 1.00 H new ATOM 0 HG23 THR A 44 34.247 18.155 16.435 1.00 1.00 H new ATOM 655 N GLY A 45 33.104 14.388 15.628 1.00 1.00 N ATOM 656 CA GLY A 45 31.999 13.804 16.379 1.00 1.00 C ATOM 657 C GLY A 45 32.439 13.425 17.789 1.00 1.00 C ATOM 658 O GLY A 45 31.947 13.978 18.774 1.00 1.00 O ATOM 0 H GLY A 45 33.178 14.068 14.662 1.00 1.00 H new ATOM 0 HA2 GLY A 45 31.173 14.514 16.430 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.628 12.920 15.860 1.00 1.00 H new ATOM 662 N ASN A 46 33.370 12.480 17.879 1.00 1.00 N ATOM 663 CA ASN A 46 33.869 12.035 19.175 1.00 1.00 C ATOM 664 C ASN A 46 35.280 11.473 19.040 1.00 1.00 C ATOM 665 O ASN A 46 35.467 10.340 18.597 1.00 1.00 O ATOM 666 CB ASN A 46 32.943 10.963 19.752 1.00 1.00 C ATOM 667 CG ASN A 46 32.987 11.002 21.276 1.00 1.00 C ATOM 668 OD1 ASN A 46 33.174 9.968 21.918 1.00 1.00 O ATOM 669 ND2 ASN A 46 32.826 12.138 21.896 1.00 1.00 N ATOM 0 H ASN A 46 33.791 12.011 17.077 1.00 1.00 H new ATOM 0 HA ASN A 46 33.894 12.892 19.848 1.00 1.00 H new ATOM 0 HB2 ASN A 46 31.923 11.127 19.405 1.00 1.00 H new ATOM 0 HB3 ASN A 46 33.247 9.978 19.396 1.00 1.00 H new ATOM 0 HD21 ASN A 46 32.855 12.171 22.915 1.00 1.00 H new ATOM 0 HD22 ASN A 46 32.671 12.993 21.362 1.00 1.00 H new ATOM 676 N GLY A 47 36.270 12.270 19.428 1.00 1.00 N ATOM 677 CA GLY A 47 37.660 11.840 19.346 1.00 1.00 C ATOM 678 C GLY A 47 38.607 13.030 19.463 1.00 1.00 C ATOM 679 O GLY A 47 39.671 13.051 18.842 1.00 1.00 O ATOM 0 H GLY A 47 36.137 13.210 19.800 1.00 1.00 H new ATOM 0 HA2 GLY A 47 37.870 11.124 20.140 1.00 1.00 H new ATOM 0 HA3 GLY A 47 37.831 11.326 18.400 1.00 1.00 H new ATOM 683 N LEU A 48 38.213 14.018 20.261 1.00 1.00 N ATOM 684 CA LEU A 48 39.034 15.209 20.454 1.00 1.00 C ATOM 685 C LEU A 48 39.695 15.187 21.829 1.00 1.00 C ATOM 686 O LEU A 48 40.920 15.158 21.939 1.00 1.00 O ATOM 687 CB LEU A 48 38.170 16.466 20.322 1.00 1.00 C ATOM 688 CG LEU A 48 37.389 16.416 19.007 1.00 1.00 C ATOM 689 CD1 LEU A 48 36.518 17.666 18.882 1.00 1.00 C ATOM 690 CD2 LEU A 48 38.369 16.360 17.831 1.00 1.00 C ATOM 0 H LEU A 48 37.336 14.018 20.782 1.00 1.00 H new ATOM 0 HA LEU A 48 39.811 15.220 19.689 1.00 1.00 H new ATOM 0 HB2 LEU A 48 37.481 16.536 21.164 1.00 1.00 H new ATOM 0 HB3 LEU A 48 38.798 17.356 20.350 1.00 1.00 H new ATOM 0 HG LEU A 48 36.756 15.529 18.996 1.00 1.00 H new ATOM 0 HD11 LEU A 48 35.962 17.630 17.945 1.00 1.00 H new ATOM 0 HD12 LEU A 48 35.819 17.708 19.717 1.00 1.00 H new ATOM 0 HD13 LEU A 48 37.151 18.553 18.894 1.00 1.00 H new ATOM 0 HD21 LEU A 48 37.812 16.324 16.895 1.00 1.00 H new ATOM 0 HD22 LEU A 48 39.003 17.247 17.843 1.00 1.00 H new ATOM 0 HD23 LEU A 48 38.991 15.469 17.918 1.00 1.00 H new ATOM 702 N VAL A 49 38.873 15.201 22.875 1.00 1.00 N ATOM 703 CA VAL A 49 39.390 15.182 24.239 1.00 1.00 C ATOM 704 C VAL A 49 40.403 14.055 24.411 1.00 1.00 C ATOM 705 O VAL A 49 41.100 13.984 25.423 1.00 1.00 O ATOM 706 CB VAL A 49 38.240 14.995 25.229 1.00 1.00 C ATOM 707 CG1 VAL A 49 37.481 13.709 24.894 1.00 1.00 C ATOM 708 CG2 VAL A 49 38.803 14.898 26.649 1.00 1.00 C ATOM 0 H VAL A 49 37.856 15.225 22.805 1.00 1.00 H new ATOM 0 HA VAL A 49 39.886 16.133 24.435 1.00 1.00 H new ATOM 0 HB VAL A 49 37.561 15.845 25.162 1.00 1.00 H new ATOM 0 HG11 VAL A 49 36.661 13.576 25.600 1.00 1.00 H new ATOM 0 HG12 VAL A 49 37.081 13.776 23.882 1.00 1.00 H new ATOM 0 HG13 VAL A 49 38.159 12.858 24.961 1.00 1.00 H new ATOM 0 HG21 VAL A 49 37.985 14.765 27.357 1.00 1.00 H new ATOM 0 HG22 VAL A 49 39.481 14.047 26.714 1.00 1.00 H new ATOM 0 HG23 VAL A 49 39.345 15.813 26.889 1.00 1.00 H new ATOM 718 N LEU A 50 40.477 13.175 23.417 1.00 1.00 N ATOM 719 CA LEU A 50 41.407 12.053 23.470 1.00 1.00 C ATOM 720 C LEU A 50 42.624 12.325 22.591 1.00 1.00 C ATOM 721 O LEU A 50 43.684 11.729 22.781 1.00 1.00 O ATOM 722 CB LEU A 50 40.710 10.774 23.000 1.00 1.00 C ATOM 723 CG LEU A 50 39.479 10.514 23.868 1.00 1.00 C ATOM 724 CD1 LEU A 50 38.261 10.277 22.973 1.00 1.00 C ATOM 725 CD2 LEU A 50 39.722 9.276 24.736 1.00 1.00 C ATOM 0 H LEU A 50 39.909 13.216 22.571 1.00 1.00 H new ATOM 0 HA LEU A 50 41.738 11.927 24.501 1.00 1.00 H new ATOM 0 HB2 LEU A 50 40.417 10.870 21.955 1.00 1.00 H new ATOM 0 HB3 LEU A 50 41.396 9.930 23.062 1.00 1.00 H new ATOM 0 HG LEU A 50 39.296 11.378 24.507 1.00 1.00 H new ATOM 0 HD11 LEU A 50 37.384 10.092 23.593 1.00 1.00 H new ATOM 0 HD12 LEU A 50 38.088 11.157 22.354 1.00 1.00 H new ATOM 0 HD13 LEU A 50 38.442 9.413 22.333 1.00 1.00 H new ATOM 0 HD21 LEU A 50 38.845 9.089 25.356 1.00 1.00 H new ATOM 0 HD22 LEU A 50 39.905 8.413 24.096 1.00 1.00 H new ATOM 0 HD23 LEU A 50 40.589 9.444 25.375 1.00 1.00 H new ATOM 737 N TRP A 51 42.463 13.226 21.629 1.00 1.00 N ATOM 738 CA TRP A 51 43.555 13.568 20.725 1.00 1.00 C ATOM 739 C TRP A 51 44.436 14.653 21.335 1.00 1.00 C ATOM 740 O TRP A 51 45.649 14.482 21.465 1.00 1.00 O ATOM 741 CB TRP A 51 42.994 14.055 19.387 1.00 1.00 C ATOM 742 CG TRP A 51 43.756 15.257 18.933 1.00 1.00 C ATOM 743 CD1 TRP A 51 44.938 15.225 18.276 1.00 1.00 C ATOM 744 CD2 TRP A 51 43.412 16.664 19.088 1.00 1.00 C ATOM 745 NE1 TRP A 51 45.342 16.522 18.018 1.00 1.00 N ATOM 746 CE2 TRP A 51 44.435 17.445 18.498 1.00 1.00 C ATOM 747 CE3 TRP A 51 42.323 17.333 19.676 1.00 1.00 C ATOM 748 CZ2 TRP A 51 44.379 18.839 18.493 1.00 1.00 C ATOM 749 CZ3 TRP A 51 42.264 18.736 19.672 1.00 1.00 C ATOM 750 CH2 TRP A 51 43.290 19.488 19.082 1.00 1.00 C ATOM 0 H TRP A 51 41.593 13.730 21.455 1.00 1.00 H new ATOM 0 HA TRP A 51 44.159 12.675 20.562 1.00 1.00 H new ATOM 0 HB2 TRP A 51 43.066 13.263 18.641 1.00 1.00 H new ATOM 0 HB3 TRP A 51 41.937 14.300 19.492 1.00 1.00 H new ATOM 0 HD1 TRP A 51 45.478 14.332 17.998 1.00 1.00 H new ATOM 0 HE1 TRP A 51 46.205 16.767 17.532 1.00 1.00 H new ATOM 0 HE3 TRP A 51 41.527 16.764 20.133 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 45.172 19.413 18.037 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 41.423 19.239 20.126 1.00 1.00 H new ATOM 0 HH2 TRP A 51 43.239 20.567 19.083 1.00 1.00 H new ATOM 761 N THR A 52 43.819 15.770 21.707 1.00 1.00 N ATOM 762 CA THR A 52 44.559 16.877 22.303 1.00 1.00 C ATOM 763 C THR A 52 45.515 16.365 23.376 1.00 1.00 C ATOM 764 O THR A 52 46.594 16.924 23.576 1.00 1.00 O ATOM 765 CB THR A 52 43.586 17.883 22.922 1.00 1.00 C ATOM 766 OG1 THR A 52 44.319 18.948 23.510 1.00 1.00 O ATOM 767 CG2 THR A 52 42.744 17.188 23.993 1.00 1.00 C ATOM 0 H THR A 52 42.817 15.932 21.608 1.00 1.00 H new ATOM 0 HA THR A 52 45.138 17.367 21.520 1.00 1.00 H new ATOM 0 HB THR A 52 42.929 18.278 22.147 1.00 1.00 H new ATOM 0 HG1 THR A 52 43.697 19.594 23.906 1.00 1.00 H new ATOM 0 HG21 THR A 52 42.051 17.905 24.433 1.00 1.00 H new ATOM 0 HG22 THR A 52 42.182 16.371 23.540 1.00 1.00 H new ATOM 0 HG23 THR A 52 43.398 16.792 24.770 1.00 1.00 H new ATOM 775 N VAL A 53 45.113 15.301 24.063 1.00 1.00 N ATOM 776 CA VAL A 53 45.943 14.724 25.113 1.00 1.00 C ATOM 777 C VAL A 53 47.064 13.884 24.509 1.00 1.00 C ATOM 778 O VAL A 53 48.155 13.791 25.072 1.00 1.00 O ATOM 779 CB VAL A 53 45.088 13.850 26.033 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.996 12.943 26.865 1.00 1.00 C ATOM 781 CG2 VAL A 53 44.269 14.744 26.966 1.00 1.00 C ATOM 0 H VAL A 53 44.224 14.824 23.913 1.00 1.00 H new ATOM 0 HA VAL A 53 46.384 15.537 25.690 1.00 1.00 H new ATOM 0 HB VAL A 53 44.416 13.238 25.431 1.00 1.00 H new ATOM 0 HG11 VAL A 53 45.387 12.321 27.520 1.00 1.00 H new ATOM 0 HG12 VAL A 53 46.581 12.307 26.201 1.00 1.00 H new ATOM 0 HG13 VAL A 53 46.668 13.555 27.467 1.00 1.00 H new ATOM 0 HG21 VAL A 53 43.659 14.123 27.622 1.00 1.00 H new ATOM 0 HG22 VAL A 53 44.942 15.356 27.567 1.00 1.00 H new ATOM 0 HG23 VAL A 53 43.622 15.391 26.374 1.00 1.00 H new ATOM 791 N PHE A 54 46.787 13.275 23.361 1.00 1.00 N ATOM 792 CA PHE A 54 47.782 12.446 22.688 1.00 1.00 C ATOM 793 C PHE A 54 49.008 13.274 22.319 1.00 1.00 C ATOM 794 O PHE A 54 50.126 12.759 22.276 1.00 1.00 O ATOM 795 CB PHE A 54 47.180 11.829 21.426 1.00 1.00 C ATOM 796 CG PHE A 54 47.760 10.452 21.211 1.00 1.00 C ATOM 797 CD1 PHE A 54 47.350 9.386 22.020 1.00 1.00 C ATOM 798 CD2 PHE A 54 48.709 10.242 20.203 1.00 1.00 C ATOM 799 CE1 PHE A 54 47.889 8.109 21.821 1.00 1.00 C ATOM 800 CE2 PHE A 54 49.248 8.965 20.005 1.00 1.00 C ATOM 801 CZ PHE A 54 48.838 7.898 20.814 1.00 1.00 C ATOM 0 H PHE A 54 45.890 13.338 22.880 1.00 1.00 H new ATOM 0 HA PHE A 54 48.087 11.652 23.369 1.00 1.00 H new ATOM 0 HB2 PHE A 54 46.096 11.768 21.520 1.00 1.00 H new ATOM 0 HB3 PHE A 54 47.390 12.462 20.564 1.00 1.00 H new ATOM 0 HD1 PHE A 54 46.618 9.548 22.797 1.00 1.00 H new ATOM 0 HD2 PHE A 54 49.025 11.065 19.579 1.00 1.00 H new ATOM 0 HE1 PHE A 54 47.572 7.286 22.445 1.00 1.00 H new ATOM 0 HE2 PHE A 54 49.980 8.803 19.228 1.00 1.00 H new ATOM 0 HZ PHE A 54 49.254 6.913 20.661 1.00 1.00 H new ATOM 811 N ARG A 55 48.792 14.557 22.051 1.00 1.00 N ATOM 812 CA ARG A 55 49.887 15.447 21.686 1.00 1.00 C ATOM 813 C ARG A 55 50.557 16.014 22.934 1.00 1.00 C ATOM 814 O ARG A 55 51.773 16.192 22.970 1.00 1.00 O ATOM 815 CB ARG A 55 49.362 16.594 20.819 1.00 1.00 C ATOM 816 CG ARG A 55 49.282 16.138 19.362 1.00 1.00 C ATOM 817 CD ARG A 55 48.382 14.906 19.260 1.00 1.00 C ATOM 818 NE ARG A 55 48.051 14.636 17.866 1.00 1.00 N ATOM 819 CZ ARG A 55 48.909 14.015 17.063 1.00 1.00 C ATOM 820 NH1 ARG A 55 50.072 13.637 17.519 1.00 1.00 N ATOM 821 NH2 ARG A 55 48.590 13.785 15.819 1.00 1.00 N ATOM 0 H ARG A 55 47.874 15.002 22.079 1.00 1.00 H new ATOM 0 HA ARG A 55 50.623 14.874 21.122 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.378 16.906 21.168 1.00 1.00 H new ATOM 0 HB3 ARG A 55 50.020 17.459 20.905 1.00 1.00 H new ATOM 0 HG2 ARG A 55 48.888 16.942 18.740 1.00 1.00 H new ATOM 0 HG3 ARG A 55 50.279 15.905 18.988 1.00 1.00 H new ATOM 0 HD2 ARG A 55 48.885 14.043 19.695 1.00 1.00 H new ATOM 0 HD3 ARG A 55 47.469 15.066 19.833 1.00 1.00 H new ATOM 0 HE ARG A 55 47.145 14.929 17.500 1.00 1.00 H new ATOM 0 HH11 ARG A 55 50.322 13.818 18.491 1.00 1.00 H new ATOM 0 HH12 ARG A 55 50.731 13.160 16.903 1.00 1.00 H new ATOM 0 HH21 ARG A 55 47.682 14.082 15.462 1.00 1.00 H new ATOM 0 HH22 ARG A 55 49.249 13.308 15.203 1.00 1.00 H new ATOM 835 N LYS A 56 49.753 16.295 23.953 1.00 1.00 N ATOM 836 CA LYS A 56 50.278 16.842 25.199 1.00 1.00 C ATOM 837 C LYS A 56 51.410 15.969 25.732 1.00 1.00 C ATOM 838 O LYS A 56 52.097 16.339 26.684 1.00 1.00 O ATOM 839 CB LYS A 56 49.163 16.928 26.243 1.00 1.00 C ATOM 840 CG LYS A 56 49.420 18.122 27.166 1.00 1.00 C ATOM 841 CD LYS A 56 48.858 19.393 26.526 1.00 1.00 C ATOM 842 CE LYS A 56 47.419 19.610 26.999 1.00 1.00 C ATOM 843 NZ LYS A 56 47.425 20.054 28.421 1.00 1.00 N ATOM 0 H LYS A 56 48.743 16.155 23.942 1.00 1.00 H new ATOM 0 HA LYS A 56 50.667 17.841 25.000 1.00 1.00 H new ATOM 0 HB2 LYS A 56 48.197 17.037 25.751 1.00 1.00 H new ATOM 0 HB3 LYS A 56 49.123 16.007 26.825 1.00 1.00 H new ATOM 0 HG2 LYS A 56 48.952 17.953 28.136 1.00 1.00 H new ATOM 0 HG3 LYS A 56 50.490 18.234 27.344 1.00 1.00 H new ATOM 0 HD2 LYS A 56 49.474 20.251 26.795 1.00 1.00 H new ATOM 0 HD3 LYS A 56 48.886 19.309 25.440 1.00 1.00 H new ATOM 0 HE2 LYS A 56 46.929 20.358 26.376 1.00 1.00 H new ATOM 0 HE3 LYS A 56 46.848 18.687 26.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 46.558 20.592 28.620 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 47.467 19.222 29.044 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 48.254 20.658 28.593 1.00 1.00 H new