USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 378 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 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 16:sc= 1.13 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 47:sc= 0.17 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 37 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.2!) USER MOD Single : A 38 LYS NZ :NH3+ -135:sc= 1.25 (180deg=-0.95) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 36:sc= 0.998 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -109:sc= 1.17 USER MOD Single : A 57 ASN : amide:sc= -0.0686 X(o=-0.069,f=-0.062) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 155:sc= -1.41 (180deg=-2.67!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 8.246 0.157 -7.822 1.00 0.00 N ATOM 67 CA GLY A 8 7.311 0.418 -6.742 1.00 0.00 C ATOM 68 C GLY A 8 7.659 -0.410 -5.503 1.00 0.00 C ATOM 69 O GLY A 8 8.517 -1.289 -5.561 1.00 0.00 O ATOM 0 HA2 GLY A 8 7.327 1.479 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.298 0.183 -7.068 1.00 0.00 H new ATOM 73 N GLU A 9 6.975 -0.100 -4.412 1.00 0.00 N ATOM 74 CA GLU A 9 7.201 -0.804 -3.161 1.00 0.00 C ATOM 75 C GLU A 9 5.947 -1.582 -2.756 1.00 0.00 C ATOM 76 O GLU A 9 4.872 -1.002 -2.613 1.00 0.00 O ATOM 77 CB GLU A 9 7.627 0.164 -2.056 1.00 0.00 C ATOM 78 CG GLU A 9 9.151 0.242 -1.953 1.00 0.00 C ATOM 79 CD GLU A 9 9.583 0.722 -0.565 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.554 -0.119 0.360 1.00 0.00 O ATOM 81 OE2 GLU A 9 9.933 1.917 -0.461 1.00 0.00 O ATOM 0 H GLU A 9 6.264 0.630 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 9 8.014 -1.515 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.222 1.155 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.211 -0.161 -1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.583 -0.738 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.536 0.922 -2.713 1.00 0.00 H new ATOM 88 N GLU A 10 6.127 -2.883 -2.582 1.00 0.00 N ATOM 89 CA GLU A 10 5.023 -3.746 -2.196 1.00 0.00 C ATOM 90 C GLU A 10 4.788 -3.663 -0.687 1.00 0.00 C ATOM 91 O GLU A 10 5.677 -3.980 0.102 1.00 0.00 O ATOM 92 CB GLU A 10 5.278 -5.190 -2.633 1.00 0.00 C ATOM 93 CG GLU A 10 5.215 -5.321 -4.156 1.00 0.00 C ATOM 94 CD GLU A 10 6.595 -5.104 -4.782 1.00 0.00 C ATOM 95 OE1 GLU A 10 7.424 -6.032 -4.663 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.788 -4.016 -5.366 1.00 0.00 O ATOM 0 H GLU A 10 7.020 -3.361 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 10 4.122 -3.401 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.256 -5.514 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.538 -5.848 -2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.841 -6.309 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.510 -4.593 -4.559 1.00 0.00 H new ATOM 103 N TYR A 11 3.585 -3.236 -0.330 1.00 0.00 N ATOM 104 CA TYR A 11 3.222 -3.108 1.071 1.00 0.00 C ATOM 105 C TYR A 11 1.904 -3.830 1.363 1.00 0.00 C ATOM 106 O TYR A 11 1.036 -3.919 0.497 1.00 0.00 O ATOM 107 CB TYR A 11 3.036 -1.611 1.323 1.00 0.00 C ATOM 108 CG TYR A 11 4.288 -0.909 1.852 1.00 0.00 C ATOM 109 CD1 TYR A 11 4.510 -0.824 3.211 1.00 0.00 C ATOM 110 CD2 TYR A 11 5.197 -0.360 0.969 1.00 0.00 C ATOM 111 CE1 TYR A 11 5.688 -0.163 3.709 1.00 0.00 C ATOM 112 CE2 TYR A 11 6.376 0.300 1.467 1.00 0.00 C ATOM 113 CZ TYR A 11 6.563 0.366 2.812 1.00 0.00 C ATOM 114 OH TYR A 11 7.676 0.990 3.282 1.00 0.00 O ATOM 0 H TYR A 11 2.850 -2.974 -0.987 1.00 0.00 H new ATOM 0 HA TYR A 11 3.989 -3.547 1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.729 -1.132 0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.224 -1.471 2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.800 -1.254 3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.024 -0.426 -0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.873 -0.089 4.771 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.095 0.733 0.788 1.00 0.00 H new ATOM 0 HH TYR A 11 8.210 1.318 2.529 1.00 0.00 H new ATOM 124 N ILE A 12 1.798 -4.326 2.587 1.00 0.00 N ATOM 125 CA ILE A 12 0.602 -5.037 3.005 1.00 0.00 C ATOM 126 C ILE A 12 -0.216 -4.144 3.941 1.00 0.00 C ATOM 127 O ILE A 12 0.343 -3.453 4.791 1.00 0.00 O ATOM 128 CB ILE A 12 0.968 -6.392 3.613 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.864 -7.193 2.666 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.286 -7.172 4.012 1.00 0.00 C ATOM 131 CD1 ILE A 12 1.029 -8.077 1.737 1.00 0.00 C ATOM 0 H ILE A 12 2.521 -4.249 3.303 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.028 -5.260 2.144 1.00 0.00 H new ATOM 0 HB ILE A 12 1.539 -6.214 4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.474 -6.511 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.549 -7.813 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.003 -8.131 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.851 -6.600 4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.905 -7.341 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.690 -8.635 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.438 -8.774 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.363 -7.452 1.142 1.00 0.00 H new ATOM 143 N ALA A 13 -1.527 -4.188 3.752 1.00 0.00 N ATOM 144 CA ALA A 13 -2.427 -3.391 4.568 1.00 0.00 C ATOM 145 C ALA A 13 -2.574 -4.044 5.944 1.00 0.00 C ATOM 146 O ALA A 13 -3.069 -5.165 6.054 1.00 0.00 O ATOM 147 CB ALA A 13 -3.769 -3.239 3.849 1.00 0.00 C ATOM 0 H ALA A 13 -1.987 -4.763 3.046 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.023 -2.390 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.444 -2.641 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.614 -2.744 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.206 -4.224 3.683 1.00 0.00 H new ATOM 153 N LEU A 14 -2.133 -3.316 6.960 1.00 0.00 N ATOM 154 CA LEU A 14 -2.209 -3.811 8.324 1.00 0.00 C ATOM 155 C LEU A 14 -3.658 -3.736 8.809 1.00 0.00 C ATOM 156 O LEU A 14 -4.141 -4.651 9.475 1.00 0.00 O ATOM 157 CB LEU A 14 -1.221 -3.062 9.221 1.00 0.00 C ATOM 158 CG LEU A 14 0.262 -3.312 8.940 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.138 -2.293 9.672 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.649 -4.752 9.284 1.00 0.00 C ATOM 0 H LEU A 14 -1.722 -2.387 6.866 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.912 -4.859 8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.413 -1.993 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.425 -3.332 10.257 1.00 0.00 H new ATOM 0 HG LEU A 14 0.435 -3.178 7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.187 -2.493 9.455 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.884 -1.287 9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.968 -2.372 10.746 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.708 -4.904 9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.457 -4.938 10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.058 -5.441 8.681 1.00 0.00 H new ATOM 172 N TYR A 15 -4.312 -2.639 8.456 1.00 0.00 N ATOM 173 CA TYR A 15 -5.696 -2.434 8.847 1.00 0.00 C ATOM 174 C TYR A 15 -6.522 -1.897 7.677 1.00 0.00 C ATOM 175 O TYR A 15 -5.984 -1.262 6.771 1.00 0.00 O ATOM 176 CB TYR A 15 -5.668 -1.385 9.960 1.00 0.00 C ATOM 177 CG TYR A 15 -4.664 -1.686 11.075 1.00 0.00 C ATOM 178 CD1 TYR A 15 -5.028 -2.496 12.131 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.394 -1.148 11.024 1.00 0.00 C ATOM 180 CE1 TYR A 15 -4.083 -2.780 13.180 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.449 -1.432 12.072 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.841 -2.233 13.099 1.00 0.00 C ATOM 183 OH TYR A 15 -1.948 -2.501 14.089 1.00 0.00 O ATOM 0 H TYR A 15 -3.909 -1.883 7.903 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.148 -3.373 9.168 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.431 -0.414 9.524 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.664 -1.305 10.394 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.022 -2.917 12.171 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.109 -0.514 10.198 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.355 -3.413 14.012 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.452 -1.019 12.043 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.102 -2.045 13.899 1.00 0.00 H new ATOM 193 N PRO A 16 -7.851 -2.178 7.735 1.00 0.00 N ATOM 194 CA PRO A 16 -8.758 -1.731 6.691 1.00 0.00 C ATOM 195 C PRO A 16 -9.035 -0.231 6.812 1.00 0.00 C ATOM 196 O PRO A 16 -9.594 0.222 7.809 1.00 0.00 O ATOM 197 CB PRO A 16 -10.006 -2.581 6.862 1.00 0.00 C ATOM 198 CG PRO A 16 -9.936 -3.144 8.272 1.00 0.00 C ATOM 199 CD PRO A 16 -8.524 -2.928 8.792 1.00 0.00 C ATOM 0 HA PRO A 16 -8.342 -1.856 5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.907 -1.984 6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.038 -3.381 6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.660 -2.647 8.917 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.184 -4.205 8.272 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.528 -2.373 9.730 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.023 -3.877 8.985 1.00 0.00 H new ATOM 207 N TYR A 17 -8.631 0.498 5.782 1.00 0.00 N ATOM 208 CA TYR A 17 -8.829 1.937 5.760 1.00 0.00 C ATOM 209 C TYR A 17 -9.974 2.319 4.819 1.00 0.00 C ATOM 210 O TYR A 17 -9.931 2.017 3.628 1.00 0.00 O ATOM 211 CB TYR A 17 -7.526 2.534 5.225 1.00 0.00 C ATOM 212 CG TYR A 17 -7.612 4.026 4.899 1.00 0.00 C ATOM 213 CD1 TYR A 17 -8.033 4.437 3.650 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.271 4.963 5.854 1.00 0.00 C ATOM 215 CE1 TYR A 17 -8.114 5.841 3.343 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.352 6.367 5.547 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.770 6.737 4.307 1.00 0.00 C ATOM 218 OH TYR A 17 -7.847 8.063 4.017 1.00 0.00 O ATOM 0 H TYR A 17 -8.167 0.119 4.956 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.080 2.305 6.755 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.738 2.379 5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.233 1.993 4.326 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.302 3.705 2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.943 4.642 6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.440 6.175 2.369 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.087 7.110 6.285 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.388 8.191 3.210 1.00 0.00 H new ATOM 228 N SER A 18 -10.972 2.977 5.390 1.00 0.00 N ATOM 229 CA SER A 18 -12.127 3.404 4.618 1.00 0.00 C ATOM 230 C SER A 18 -12.307 4.918 4.740 1.00 0.00 C ATOM 231 O SER A 18 -12.556 5.431 5.830 1.00 0.00 O ATOM 232 CB SER A 18 -13.394 2.679 5.076 1.00 0.00 C ATOM 233 OG SER A 18 -13.360 2.374 6.468 1.00 0.00 O ATOM 0 H SER A 18 -11.005 3.225 6.379 1.00 0.00 H new ATOM 0 HA SER A 18 -11.953 3.149 3.573 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.264 3.299 4.862 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.511 1.758 4.506 1.00 0.00 H new ATOM 0 HG SER A 18 -14.187 1.913 6.722 1.00 0.00 H new ATOM 295 N GLY A 23 -9.919 11.079 -3.450 1.00 0.00 N ATOM 296 CA GLY A 23 -8.510 10.861 -3.730 1.00 0.00 C ATOM 297 C GLY A 23 -7.849 10.048 -2.616 1.00 0.00 C ATOM 298 O GLY A 23 -6.722 10.337 -2.217 1.00 0.00 O ATOM 0 HA2 GLY A 23 -8.401 10.338 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.004 11.821 -3.834 1.00 0.00 H new ATOM 302 N ASP A 24 -8.578 9.046 -2.146 1.00 0.00 N ATOM 303 CA ASP A 24 -8.076 8.189 -1.086 1.00 0.00 C ATOM 304 C ASP A 24 -8.231 6.725 -1.503 1.00 0.00 C ATOM 305 O ASP A 24 -9.345 6.253 -1.721 1.00 0.00 O ATOM 306 CB ASP A 24 -8.862 8.397 0.210 1.00 0.00 C ATOM 307 CG ASP A 24 -8.385 9.564 1.076 1.00 0.00 C ATOM 308 OD1 ASP A 24 -7.625 10.397 0.536 1.00 0.00 O ATOM 309 OD2 ASP A 24 -8.790 9.597 2.258 1.00 0.00 O ATOM 0 H ASP A 24 -9.512 8.809 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.029 8.441 -0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.911 8.555 -0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.810 7.482 0.800 1.00 0.00 H new ATOM 314 N LEU A 25 -7.096 6.048 -1.601 1.00 0.00 N ATOM 315 CA LEU A 25 -7.092 4.647 -1.989 1.00 0.00 C ATOM 316 C LEU A 25 -7.760 3.817 -0.891 1.00 0.00 C ATOM 317 O LEU A 25 -7.164 3.572 0.157 1.00 0.00 O ATOM 318 CB LEU A 25 -5.672 4.189 -2.328 1.00 0.00 C ATOM 319 CG LEU A 25 -5.560 2.895 -3.136 1.00 0.00 C ATOM 320 CD1 LEU A 25 -5.958 3.123 -4.595 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.160 2.290 -3.011 1.00 0.00 C ATOM 0 H LEU A 25 -6.173 6.443 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.675 4.502 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.178 4.985 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.121 4.061 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.262 2.171 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.869 2.187 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.989 3.475 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.300 3.870 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.107 1.371 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.422 3.000 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.952 2.067 -1.964 1.00 0.00 H new ATOM 333 N THR A 26 -8.989 3.407 -1.168 1.00 0.00 N ATOM 334 CA THR A 26 -9.744 2.609 -0.217 1.00 0.00 C ATOM 335 C THR A 26 -9.380 1.130 -0.354 1.00 0.00 C ATOM 336 O THR A 26 -9.420 0.576 -1.452 1.00 0.00 O ATOM 337 CB THR A 26 -11.231 2.892 -0.439 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.403 2.764 -1.848 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.600 4.348 -0.150 1.00 0.00 C ATOM 0 H THR A 26 -9.481 3.613 -2.038 1.00 0.00 H new ATOM 0 HA THR A 26 -9.496 2.878 0.810 1.00 0.00 H new ATOM 0 HB THR A 26 -11.824 2.234 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.965 1.944 -2.158 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.666 4.494 -0.323 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.365 4.584 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.032 5.005 -0.809 1.00 0.00 H new ATOM 347 N PHE A 27 -9.033 0.531 0.776 1.00 0.00 N ATOM 348 CA PHE A 27 -8.662 -0.873 0.796 1.00 0.00 C ATOM 349 C PHE A 27 -8.933 -1.492 2.169 1.00 0.00 C ATOM 350 O PHE A 27 -9.272 -0.786 3.117 1.00 0.00 O ATOM 351 CB PHE A 27 -7.162 -0.944 0.505 1.00 0.00 C ATOM 352 CG PHE A 27 -6.309 -0.057 1.414 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.921 -0.511 2.636 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.938 1.184 1.001 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.130 0.312 3.481 1.00 0.00 C ATOM 356 CE2 PHE A 27 -5.147 2.007 1.845 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.759 1.553 3.067 1.00 0.00 C ATOM 0 H PHE A 27 -9.001 0.993 1.685 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.246 -1.422 0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.831 -1.977 0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.989 -0.656 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.214 -1.497 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.245 1.544 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.823 -0.048 4.452 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.853 2.993 1.517 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.156 2.178 3.709 1.00 0.00 H new ATOM 367 N THR A 28 -8.772 -2.806 2.232 1.00 0.00 N ATOM 368 CA THR A 28 -8.994 -3.528 3.473 1.00 0.00 C ATOM 369 C THR A 28 -7.703 -4.207 3.934 1.00 0.00 C ATOM 370 O THR A 28 -6.734 -4.282 3.181 1.00 0.00 O ATOM 371 CB THR A 28 -10.149 -4.507 3.250 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.919 -5.022 1.942 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.502 -3.801 3.140 1.00 0.00 C ATOM 0 H THR A 28 -8.491 -3.389 1.444 1.00 0.00 H new ATOM 0 HA THR A 28 -9.274 -2.851 4.280 1.00 0.00 H new ATOM 0 HB THR A 28 -10.180 -5.225 4.070 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.621 -5.667 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.287 -4.541 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.701 -3.251 4.060 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.483 -3.107 2.299 1.00 0.00 H new ATOM 381 N GLU A 29 -7.732 -4.684 5.170 1.00 0.00 N ATOM 382 CA GLU A 29 -6.575 -5.354 5.740 1.00 0.00 C ATOM 383 C GLU A 29 -6.261 -6.630 4.957 1.00 0.00 C ATOM 384 O GLU A 29 -7.130 -7.482 4.776 1.00 0.00 O ATOM 385 CB GLU A 29 -6.796 -5.661 7.223 1.00 0.00 C ATOM 386 CG GLU A 29 -5.825 -6.739 7.710 1.00 0.00 C ATOM 387 CD GLU A 29 -6.545 -8.074 7.912 1.00 0.00 C ATOM 388 OE1 GLU A 29 -6.932 -8.672 6.884 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.692 -8.467 9.089 1.00 0.00 O ATOM 0 H GLU A 29 -8.538 -4.620 5.792 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.718 -4.685 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.661 -4.753 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.822 -5.993 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.020 -6.862 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.366 -6.424 8.647 1.00 0.00 H new ATOM 396 N GLY A 30 -5.017 -6.722 4.512 1.00 0.00 N ATOM 397 CA GLY A 30 -4.577 -7.880 3.752 1.00 0.00 C ATOM 398 C GLY A 30 -4.302 -7.506 2.294 1.00 0.00 C ATOM 399 O GLY A 30 -3.472 -8.132 1.635 1.00 0.00 O ATOM 0 H GLY A 30 -4.299 -6.013 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.674 -8.293 4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.339 -8.658 3.794 1.00 0.00 H new ATOM 403 N GLU A 31 -5.013 -6.488 1.833 1.00 0.00 N ATOM 404 CA GLU A 31 -4.856 -6.024 0.465 1.00 0.00 C ATOM 405 C GLU A 31 -3.394 -5.663 0.192 1.00 0.00 C ATOM 406 O GLU A 31 -2.665 -5.280 1.106 1.00 0.00 O ATOM 407 CB GLU A 31 -5.776 -4.836 0.180 1.00 0.00 C ATOM 408 CG GLU A 31 -7.147 -5.310 -0.309 1.00 0.00 C ATOM 409 CD GLU A 31 -7.151 -5.504 -1.826 1.00 0.00 C ATOM 410 OE1 GLU A 31 -6.086 -5.892 -2.352 1.00 0.00 O ATOM 411 OE2 GLU A 31 -8.220 -5.260 -2.427 1.00 0.00 O ATOM 0 H GLU A 31 -5.700 -5.971 2.383 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.142 -6.833 -0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.895 -4.238 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.321 -4.191 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.408 -6.248 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.908 -4.582 -0.030 1.00 0.00 H new ATOM 418 N GLU A 32 -3.010 -5.797 -1.069 1.00 0.00 N ATOM 419 CA GLU A 32 -1.649 -5.490 -1.473 1.00 0.00 C ATOM 420 C GLU A 32 -1.594 -4.122 -2.156 1.00 0.00 C ATOM 421 O GLU A 32 -2.060 -3.968 -3.284 1.00 0.00 O ATOM 422 CB GLU A 32 -1.088 -6.582 -2.387 1.00 0.00 C ATOM 423 CG GLU A 32 -0.046 -7.429 -1.654 1.00 0.00 C ATOM 424 CD GLU A 32 0.304 -8.683 -2.457 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.340 -8.569 -3.701 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.528 -9.728 -1.808 1.00 0.00 O ATOM 0 H GLU A 32 -3.618 -6.114 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.025 -5.454 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.899 -7.220 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.637 -6.127 -3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.854 -6.838 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.429 -7.715 -0.674 1.00 0.00 H new ATOM 433 N ILE A 33 -1.021 -3.163 -1.444 1.00 0.00 N ATOM 434 CA ILE A 33 -0.900 -1.813 -1.968 1.00 0.00 C ATOM 435 C ILE A 33 0.512 -1.611 -2.522 1.00 0.00 C ATOM 436 O ILE A 33 1.497 -1.902 -1.845 1.00 0.00 O ATOM 437 CB ILE A 33 -1.295 -0.788 -0.903 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.750 -0.979 -0.471 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.024 0.638 -1.388 1.00 0.00 C ATOM 440 CD1 ILE A 33 -2.927 -0.662 1.015 1.00 0.00 C ATOM 0 H ILE A 33 -0.635 -3.294 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.593 -1.662 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.674 -0.953 -0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.397 -0.332 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.059 -2.006 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.313 1.347 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.038 0.752 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.603 0.831 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.970 -0.806 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.297 -1.327 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.640 0.373 1.203 1.00 0.00 H new ATOM 452 N LEU A 34 0.566 -1.113 -3.749 1.00 0.00 N ATOM 453 CA LEU A 34 1.841 -0.868 -4.402 1.00 0.00 C ATOM 454 C LEU A 34 2.179 0.621 -4.308 1.00 0.00 C ATOM 455 O LEU A 34 1.641 1.432 -5.060 1.00 0.00 O ATOM 456 CB LEU A 34 1.821 -1.405 -5.835 1.00 0.00 C ATOM 457 CG LEU A 34 3.161 -1.399 -6.572 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.189 -2.271 -5.849 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.985 -1.814 -8.034 1.00 0.00 C ATOM 0 H LEU A 34 -0.253 -0.873 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 34 2.639 -1.409 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.445 -2.428 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.109 -0.816 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 34 3.546 -0.379 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.133 -2.249 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.344 -1.890 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.824 -3.297 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.953 -1.801 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.566 -2.819 -8.079 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.310 -1.117 -8.531 1.00 0.00 H new ATOM 471 N VAL A 35 3.070 0.935 -3.379 1.00 0.00 N ATOM 472 CA VAL A 35 3.487 2.312 -3.177 1.00 0.00 C ATOM 473 C VAL A 35 4.561 2.672 -4.206 1.00 0.00 C ATOM 474 O VAL A 35 5.427 1.855 -4.516 1.00 0.00 O ATOM 475 CB VAL A 35 3.952 2.512 -1.733 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.280 3.981 -1.461 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.908 1.991 -0.744 1.00 0.00 C ATOM 0 H VAL A 35 3.515 0.259 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 35 2.648 2.991 -3.331 1.00 0.00 H new ATOM 0 HB VAL A 35 4.865 1.934 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.608 4.095 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.075 4.307 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.391 4.589 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.263 2.145 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.971 2.529 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.745 0.927 -0.914 1.00 0.00 H new ATOM 487 N THR A 36 4.468 3.894 -4.708 1.00 0.00 N ATOM 488 CA THR A 36 5.421 4.372 -5.696 1.00 0.00 C ATOM 489 C THR A 36 5.917 5.771 -5.326 1.00 0.00 C ATOM 490 O THR A 36 7.113 6.049 -5.398 1.00 0.00 O ATOM 491 CB THR A 36 4.750 4.308 -7.069 1.00 0.00 C ATOM 492 OG1 THR A 36 3.724 5.295 -7.001 1.00 0.00 O ATOM 493 CG2 THR A 36 3.992 2.997 -7.291 1.00 0.00 C ATOM 0 H THR A 36 3.747 4.568 -4.449 1.00 0.00 H new ATOM 0 HA THR A 36 6.311 3.743 -5.724 1.00 0.00 H new ATOM 0 HB THR A 36 5.504 4.427 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.239 5.322 -7.852 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.535 3.004 -8.281 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.685 2.159 -7.217 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.215 2.893 -6.533 1.00 0.00 H new ATOM 501 N GLN A 37 4.972 6.615 -4.938 1.00 0.00 N ATOM 502 CA GLN A 37 5.298 7.979 -4.557 1.00 0.00 C ATOM 503 C GLN A 37 5.088 8.175 -3.054 1.00 0.00 C ATOM 504 O GLN A 37 3.991 7.954 -2.543 1.00 0.00 O ATOM 505 CB GLN A 37 4.473 8.985 -5.361 1.00 0.00 C ATOM 506 CG GLN A 37 5.294 9.575 -6.509 1.00 0.00 C ATOM 507 CD GLN A 37 4.402 9.910 -7.706 1.00 0.00 C ATOM 508 OE1 GLN A 37 3.325 9.366 -7.882 1.00 0.00 O ATOM 509 NE2 GLN A 37 4.909 10.835 -8.517 1.00 0.00 N ATOM 0 H GLN A 37 3.981 6.381 -4.879 1.00 0.00 H new ATOM 0 HA GLN A 37 6.349 8.157 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.584 8.496 -5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.130 9.786 -4.706 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.806 10.475 -6.169 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.064 8.866 -6.812 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.817 11.251 -8.311 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.389 11.128 -9.344 1.00 0.00 H new ATOM 518 N LYS A 38 6.156 8.586 -2.388 1.00 0.00 N ATOM 519 CA LYS A 38 6.103 8.814 -0.954 1.00 0.00 C ATOM 520 C LYS A 38 6.305 10.304 -0.671 1.00 0.00 C ATOM 521 O LYS A 38 7.427 10.803 -0.727 1.00 0.00 O ATOM 522 CB LYS A 38 7.102 7.909 -0.230 1.00 0.00 C ATOM 523 CG LYS A 38 6.963 6.458 -0.693 1.00 0.00 C ATOM 524 CD LYS A 38 7.804 5.522 0.178 1.00 0.00 C ATOM 525 CE LYS A 38 7.691 4.074 -0.306 1.00 0.00 C ATOM 526 NZ LYS A 38 8.514 3.867 -1.518 1.00 0.00 N ATOM 0 H LYS A 38 7.064 8.767 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 38 5.122 8.545 -0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.117 8.259 -0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.938 7.968 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.916 6.158 -0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.277 6.373 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.847 5.837 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.474 5.590 1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.016 3.395 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.649 3.837 -0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.968 3.330 -2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.781 4.789 -1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.373 3.336 -1.268 1.00 0.00 H new ATOM 540 N ASP A 39 5.200 10.972 -0.373 1.00 0.00 N ATOM 541 CA ASP A 39 5.241 12.394 -0.080 1.00 0.00 C ATOM 542 C ASP A 39 4.929 12.616 1.401 1.00 0.00 C ATOM 543 O ASP A 39 3.772 12.548 1.812 1.00 0.00 O ATOM 544 CB ASP A 39 4.200 13.156 -0.902 1.00 0.00 C ATOM 545 CG ASP A 39 4.750 14.326 -1.720 1.00 0.00 C ATOM 546 OD1 ASP A 39 5.313 15.245 -1.088 1.00 0.00 O ATOM 547 OD2 ASP A 39 4.595 14.274 -2.959 1.00 0.00 O ATOM 0 H ASP A 39 4.271 10.554 -0.328 1.00 0.00 H new ATOM 0 HA ASP A 39 6.237 12.760 -0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.712 12.456 -1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.432 13.534 -0.227 1.00 0.00 H new ATOM 552 N GLY A 40 5.982 12.876 2.162 1.00 0.00 N ATOM 553 CA GLY A 40 5.835 13.108 3.589 1.00 0.00 C ATOM 554 C GLY A 40 5.495 11.810 4.323 1.00 0.00 C ATOM 555 O GLY A 40 6.098 10.769 4.063 1.00 0.00 O ATOM 0 H GLY A 40 6.940 12.931 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.758 13.526 3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.050 13.844 3.762 1.00 0.00 H new ATOM 559 N GLU A 41 4.531 11.912 5.226 1.00 0.00 N ATOM 560 CA GLU A 41 4.104 10.759 6.000 1.00 0.00 C ATOM 561 C GLU A 41 3.164 9.882 5.170 1.00 0.00 C ATOM 562 O GLU A 41 3.247 8.655 5.222 1.00 0.00 O ATOM 563 CB GLU A 41 3.438 11.192 7.307 1.00 0.00 C ATOM 564 CG GLU A 41 4.472 11.732 8.297 1.00 0.00 C ATOM 565 CD GLU A 41 5.124 10.593 9.084 1.00 0.00 C ATOM 566 OE1 GLU A 41 5.440 9.568 8.442 1.00 0.00 O ATOM 567 OE2 GLU A 41 5.291 10.773 10.310 1.00 0.00 O ATOM 0 H GLU A 41 4.033 12.776 5.439 1.00 0.00 H new ATOM 0 HA GLU A 41 4.985 10.172 6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.691 11.959 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.913 10.345 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.237 12.292 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.993 12.427 8.986 1.00 0.00 H new ATOM 574 N TRP A 42 2.293 10.544 4.423 1.00 0.00 N ATOM 575 CA TRP A 42 1.339 9.840 3.584 1.00 0.00 C ATOM 576 C TRP A 42 2.008 9.565 2.236 1.00 0.00 C ATOM 577 O TRP A 42 2.611 10.459 1.644 1.00 0.00 O ATOM 578 CB TRP A 42 0.035 10.630 3.454 1.00 0.00 C ATOM 579 CG TRP A 42 -0.836 10.606 4.712 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.550 11.104 5.922 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.153 10.030 4.835 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.583 10.893 6.813 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.589 10.220 6.130 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.951 9.372 3.882 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.836 9.780 6.592 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.194 8.938 4.359 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.647 9.121 5.661 1.00 0.00 C ATOM 0 H TRP A 42 2.228 11.561 4.381 1.00 0.00 H new ATOM 0 HA TRP A 42 1.058 8.888 4.034 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.272 11.665 3.209 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.539 10.228 2.619 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.373 11.607 6.169 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.604 11.178 7.792 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.630 9.214 2.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.154 9.941 7.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.846 8.425 3.668 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.621 8.756 5.953 1.00 0.00 H new ATOM 598 N TRP A 43 1.879 8.324 1.790 1.00 0.00 N ATOM 599 CA TRP A 43 2.464 7.920 0.522 1.00 0.00 C ATOM 600 C TRP A 43 1.324 7.535 -0.423 1.00 0.00 C ATOM 601 O TRP A 43 0.235 7.179 0.024 1.00 0.00 O ATOM 602 CB TRP A 43 3.481 6.795 0.722 1.00 0.00 C ATOM 603 CG TRP A 43 4.478 7.050 1.854 1.00 0.00 C ATOM 604 CD1 TRP A 43 4.897 8.229 2.334 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.169 6.051 2.633 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.803 8.064 3.361 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.974 6.697 3.549 1.00 0.00 C ATOM 608 CE3 TRP A 43 5.115 4.648 2.567 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.786 6.021 4.468 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.932 3.987 3.491 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.748 4.622 4.420 1.00 0.00 C ATOM 0 H TRP A 43 1.378 7.585 2.284 1.00 0.00 H new ATOM 0 HA TRP A 43 3.023 8.742 0.075 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.946 5.868 0.925 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.032 6.648 -0.207 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.567 9.188 1.963 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.263 8.808 3.886 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.492 4.122 1.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.408 6.550 5.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.928 2.907 3.482 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.350 4.039 5.102 1.00 0.00 H new ATOM 622 N THR A 44 1.614 7.619 -1.713 1.00 0.00 N ATOM 623 CA THR A 44 0.627 7.284 -2.725 1.00 0.00 C ATOM 624 C THR A 44 0.711 5.798 -3.081 1.00 0.00 C ATOM 625 O THR A 44 1.722 5.339 -3.610 1.00 0.00 O ATOM 626 CB THR A 44 0.847 8.209 -3.924 1.00 0.00 C ATOM 627 OG1 THR A 44 0.408 9.484 -3.464 1.00 0.00 O ATOM 628 CG2 THR A 44 -0.093 7.890 -5.089 1.00 0.00 C ATOM 0 H THR A 44 2.519 7.914 -2.081 1.00 0.00 H new ATOM 0 HA THR A 44 -0.387 7.441 -2.356 1.00 0.00 H new ATOM 0 HB THR A 44 1.881 8.129 -4.259 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.517 10.145 -4.179 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.104 8.575 -5.914 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.073 6.865 -5.421 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.127 8.003 -4.763 1.00 0.00 H new ATOM 636 N GLY A 45 -0.365 5.088 -2.775 1.00 0.00 N ATOM 637 CA GLY A 45 -0.425 3.663 -3.056 1.00 0.00 C ATOM 638 C GLY A 45 -1.288 3.383 -4.288 1.00 0.00 C ATOM 639 O GLY A 45 -1.990 4.270 -4.773 1.00 0.00 O ATOM 0 H GLY A 45 -1.202 5.472 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.582 3.278 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.833 3.136 -2.194 1.00 0.00 H new ATOM 643 N SER A 46 -1.208 2.147 -4.758 1.00 0.00 N ATOM 644 CA SER A 46 -1.974 1.740 -5.924 1.00 0.00 C ATOM 645 C SER A 46 -2.446 0.294 -5.761 1.00 0.00 C ATOM 646 O SER A 46 -1.795 -0.503 -5.087 1.00 0.00 O ATOM 647 CB SER A 46 -1.148 1.887 -7.204 1.00 0.00 C ATOM 648 OG SER A 46 -1.971 1.970 -8.364 1.00 0.00 O ATOM 0 H SER A 46 -0.625 1.414 -4.353 1.00 0.00 H new ATOM 0 HA SER A 46 -2.843 2.392 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.528 2.781 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.472 1.037 -7.299 1.00 0.00 H new ATOM 0 HG SER A 46 -2.787 2.468 -8.151 1.00 0.00 H new ATOM 654 N ILE A 47 -3.575 -0.001 -6.389 1.00 0.00 N ATOM 655 CA ILE A 47 -4.142 -1.337 -6.321 1.00 0.00 C ATOM 656 C ILE A 47 -4.666 -1.734 -7.703 1.00 0.00 C ATOM 657 O ILE A 47 -5.658 -1.183 -8.177 1.00 0.00 O ATOM 658 CB ILE A 47 -5.199 -1.415 -5.217 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.581 -1.135 -3.846 1.00 0.00 C ATOM 660 CG2 ILE A 47 -5.930 -2.759 -5.253 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.666 -0.928 -2.787 1.00 0.00 C ATOM 0 H ILE A 47 -4.112 0.662 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.376 -2.063 -6.049 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.942 -0.639 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.939 -1.967 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.949 -0.249 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.676 -2.789 -4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.423 -2.880 -6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.213 -3.567 -5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.199 -0.731 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.291 -0.081 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.281 -1.825 -2.716 1.00 0.00 H new ATOM 673 N GLY A 48 -3.975 -2.689 -8.310 1.00 0.00 N ATOM 674 CA GLY A 48 -4.358 -3.166 -9.627 1.00 0.00 C ATOM 675 C GLY A 48 -4.209 -2.062 -10.676 1.00 0.00 C ATOM 676 O GLY A 48 -3.316 -2.119 -11.520 1.00 0.00 O ATOM 0 H GLY A 48 -3.153 -3.144 -7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.739 -4.020 -9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.391 -3.515 -9.605 1.00 0.00 H new ATOM 680 N ASP A 49 -5.097 -1.083 -10.588 1.00 0.00 N ATOM 681 CA ASP A 49 -5.075 0.033 -11.518 1.00 0.00 C ATOM 682 C ASP A 49 -5.734 1.249 -10.865 1.00 0.00 C ATOM 683 O ASP A 49 -6.243 2.131 -11.556 1.00 0.00 O ATOM 684 CB ASP A 49 -5.853 -0.298 -12.793 1.00 0.00 C ATOM 685 CG ASP A 49 -5.031 -0.965 -13.897 1.00 0.00 C ATOM 686 OD1 ASP A 49 -3.787 -0.890 -13.803 1.00 0.00 O ATOM 687 OD2 ASP A 49 -5.665 -1.536 -14.811 1.00 0.00 O ATOM 0 H ASP A 49 -5.836 -1.039 -9.887 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.035 0.239 -11.772 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.684 -0.953 -12.533 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.284 0.622 -13.187 1.00 0.00 H new ATOM 692 N ARG A 50 -5.704 1.259 -9.540 1.00 0.00 N ATOM 693 CA ARG A 50 -6.292 2.352 -8.785 1.00 0.00 C ATOM 694 C ARG A 50 -5.197 3.187 -8.119 1.00 0.00 C ATOM 695 O ARG A 50 -4.167 2.653 -7.711 1.00 0.00 O ATOM 696 CB ARG A 50 -7.250 1.829 -7.713 1.00 0.00 C ATOM 697 CG ARG A 50 -8.314 0.917 -8.326 1.00 0.00 C ATOM 698 CD ARG A 50 -9.340 0.489 -7.275 1.00 0.00 C ATOM 699 NE ARG A 50 -9.389 -0.988 -7.187 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.221 -1.666 -6.384 1.00 0.00 C ATOM 701 NH1 ARG A 50 -11.079 -1.004 -5.596 1.00 0.00 N ATOM 702 NH2 ARG A 50 -10.195 -3.005 -6.370 1.00 0.00 N ATOM 0 H ARG A 50 -5.281 0.527 -8.970 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.852 2.973 -9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.689 1.281 -6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.731 2.668 -7.210 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.818 1.437 -9.141 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.839 0.035 -8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.077 0.911 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.324 0.879 -7.536 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.750 -1.523 -7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.099 0.016 -5.607 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.712 -1.520 -4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.542 -3.509 -6.970 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.828 -3.521 -5.759 1.00 0.00 H new ATOM 716 N SER A 51 -5.457 4.483 -8.028 1.00 0.00 N ATOM 717 CA SER A 51 -4.506 5.396 -7.418 1.00 0.00 C ATOM 718 C SER A 51 -5.210 6.263 -6.372 1.00 0.00 C ATOM 719 O SER A 51 -6.326 6.729 -6.597 1.00 0.00 O ATOM 720 CB SER A 51 -3.834 6.278 -8.473 1.00 0.00 C ATOM 721 OG SER A 51 -4.611 6.371 -9.664 1.00 0.00 O ATOM 0 H SER A 51 -6.313 4.922 -8.367 1.00 0.00 H new ATOM 0 HA SER A 51 -3.731 4.806 -6.930 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.676 7.276 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.851 5.872 -8.712 1.00 0.00 H new ATOM 0 HG SER A 51 -4.149 6.943 -10.312 1.00 0.00 H new ATOM 727 N GLY A 52 -4.529 6.452 -5.252 1.00 0.00 N ATOM 728 CA GLY A 52 -5.076 7.255 -4.171 1.00 0.00 C ATOM 729 C GLY A 52 -4.060 7.413 -3.038 1.00 0.00 C ATOM 730 O GLY A 52 -2.951 6.887 -3.115 1.00 0.00 O ATOM 0 H GLY A 52 -3.604 6.063 -5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.359 8.237 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.983 6.787 -3.788 1.00 0.00 H new ATOM 734 N ILE A 53 -4.474 8.142 -2.011 1.00 0.00 N ATOM 735 CA ILE A 53 -3.614 8.376 -0.864 1.00 0.00 C ATOM 736 C ILE A 53 -4.038 7.455 0.282 1.00 0.00 C ATOM 737 O ILE A 53 -5.177 6.993 0.323 1.00 0.00 O ATOM 738 CB ILE A 53 -3.611 9.860 -0.491 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.969 10.288 0.069 1.00 0.00 C ATOM 740 CG2 ILE A 53 -3.183 10.723 -1.680 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.822 10.879 1.472 1.00 0.00 C ATOM 0 H ILE A 53 -5.394 8.578 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.580 8.129 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.875 10.012 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.424 11.024 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.640 9.430 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.189 11.773 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.178 10.439 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.876 10.572 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.802 11.175 1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.389 10.132 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.170 11.751 1.433 1.00 0.00 H new ATOM 753 N PHE A 54 -3.098 7.216 1.185 1.00 0.00 N ATOM 754 CA PHE A 54 -3.359 6.359 2.328 1.00 0.00 C ATOM 755 C PHE A 54 -2.332 6.596 3.438 1.00 0.00 C ATOM 756 O PHE A 54 -1.268 7.162 3.193 1.00 0.00 O ATOM 757 CB PHE A 54 -3.241 4.914 1.840 1.00 0.00 C ATOM 758 CG PHE A 54 -1.801 4.453 1.602 1.00 0.00 C ATOM 759 CD1 PHE A 54 -1.065 3.961 2.634 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.258 4.537 0.358 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.271 3.534 2.413 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.078 4.110 0.137 1.00 0.00 C ATOM 763 CZ PHE A 54 0.814 3.617 1.169 1.00 0.00 C ATOM 0 H PHE A 54 -2.154 7.601 1.148 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.348 6.572 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.706 4.255 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.804 4.807 0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.497 3.895 3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.843 4.928 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.856 3.143 3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.510 4.177 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.830 3.291 1.000 1.00 0.00 H new ATOM 773 N PRO A 55 -2.697 6.139 4.666 1.00 0.00 N ATOM 774 CA PRO A 55 -1.820 6.296 5.813 1.00 0.00 C ATOM 775 C PRO A 55 -0.656 5.305 5.752 1.00 0.00 C ATOM 776 O PRO A 55 -0.867 4.093 5.739 1.00 0.00 O ATOM 777 CB PRO A 55 -2.715 6.087 7.024 1.00 0.00 C ATOM 778 CG PRO A 55 -3.950 5.366 6.510 1.00 0.00 C ATOM 779 CD PRO A 55 -3.950 5.464 4.993 1.00 0.00 C ATOM 0 HA PRO A 55 -1.346 7.277 5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.208 5.497 7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.981 7.040 7.482 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.942 4.323 6.825 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.854 5.816 6.922 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.000 4.477 4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.810 6.029 4.632 1.00 0.00 H new ATOM 787 N SER A 56 0.548 5.857 5.717 1.00 0.00 N ATOM 788 CA SER A 56 1.746 5.037 5.658 1.00 0.00 C ATOM 789 C SER A 56 1.890 4.228 6.948 1.00 0.00 C ATOM 790 O SER A 56 2.670 3.278 7.006 1.00 0.00 O ATOM 791 CB SER A 56 2.991 5.897 5.430 1.00 0.00 C ATOM 792 OG SER A 56 3.359 6.625 6.598 1.00 0.00 O ATOM 0 H SER A 56 0.720 6.862 5.728 1.00 0.00 H new ATOM 0 HA SER A 56 1.651 4.352 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.821 5.260 5.124 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.806 6.593 4.612 1.00 0.00 H new ATOM 0 HG SER A 56 3.169 7.577 6.463 1.00 0.00 H new ATOM 798 N ASN A 57 1.126 4.633 7.952 1.00 0.00 N ATOM 799 CA ASN A 57 1.159 3.956 9.238 1.00 0.00 C ATOM 800 C ASN A 57 0.204 2.761 9.205 1.00 0.00 C ATOM 801 O ASN A 57 0.079 2.034 10.189 1.00 0.00 O ATOM 802 CB ASN A 57 0.708 4.890 10.363 1.00 0.00 C ATOM 803 CG ASN A 57 1.187 4.380 11.724 1.00 0.00 C ATOM 804 OD1 ASN A 57 2.372 4.309 12.007 1.00 0.00 O ATOM 805 ND2 ASN A 57 0.203 4.030 12.547 1.00 0.00 N ATOM 0 H ASN A 57 0.481 5.421 7.901 1.00 0.00 H new ATOM 0 HA ASN A 57 2.184 3.635 9.424 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.100 5.892 10.188 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.379 4.968 10.362 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.419 3.677 13.479 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.768 4.115 12.246 1.00 0.00 H new ATOM 812 N TYR A 58 -0.446 2.595 8.062 1.00 0.00 N ATOM 813 CA TYR A 58 -1.385 1.500 7.888 1.00 0.00 C ATOM 814 C TYR A 58 -0.933 0.562 6.768 1.00 0.00 C ATOM 815 O TYR A 58 -1.760 -0.054 6.097 1.00 0.00 O ATOM 816 CB TYR A 58 -2.715 2.145 7.491 1.00 0.00 C ATOM 817 CG TYR A 58 -3.465 2.793 8.657 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.846 3.759 9.424 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.760 2.411 8.942 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.552 4.369 10.521 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.466 3.021 10.039 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.827 3.970 10.775 1.00 0.00 C ATOM 823 OH TYR A 58 -5.493 4.546 11.811 1.00 0.00 O ATOM 0 H TYR A 58 -0.341 3.200 7.248 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.461 0.911 8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.527 2.901 6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.354 1.387 7.038 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.832 4.057 9.202 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.244 1.654 8.342 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -3.079 5.127 11.129 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.480 2.732 10.272 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.393 4.164 11.874 1.00 0.00 H new ATOM 833 N VAL A 59 0.379 0.483 6.599 1.00 0.00 N ATOM 834 CA VAL A 59 0.951 -0.370 5.571 1.00 0.00 C ATOM 835 C VAL A 59 2.278 -0.944 6.072 1.00 0.00 C ATOM 836 O VAL A 59 3.047 -0.251 6.738 1.00 0.00 O ATOM 837 CB VAL A 59 1.093 0.411 4.263 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.246 1.017 3.839 1.00 0.00 C ATOM 839 CG2 VAL A 59 2.171 1.490 4.382 1.00 0.00 C ATOM 0 H VAL A 59 1.062 0.996 7.157 1.00 0.00 H new ATOM 0 HA VAL A 59 0.291 -1.212 5.361 1.00 0.00 H new ATOM 0 HB VAL A 59 1.405 -0.288 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.118 1.567 2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.976 0.221 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.600 1.696 4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.251 2.030 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.903 2.186 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.128 1.024 4.616 1.00 0.00 H new ATOM 849 N LYS A 60 2.507 -2.204 5.732 1.00 0.00 N ATOM 850 CA LYS A 60 3.728 -2.878 6.138 1.00 0.00 C ATOM 851 C LYS A 60 4.510 -3.304 4.893 1.00 0.00 C ATOM 852 O LYS A 60 3.927 -3.506 3.829 1.00 0.00 O ATOM 853 CB LYS A 60 3.411 -4.034 7.089 1.00 0.00 C ATOM 854 CG LYS A 60 2.732 -5.186 6.345 1.00 0.00 C ATOM 855 CD LYS A 60 2.918 -6.507 7.094 1.00 0.00 C ATOM 856 CE LYS A 60 1.618 -7.313 7.114 1.00 0.00 C ATOM 857 NZ LYS A 60 1.872 -8.716 6.717 1.00 0.00 N ATOM 0 H LYS A 60 1.868 -2.776 5.180 1.00 0.00 H new ATOM 0 HA LYS A 60 4.368 -2.198 6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.330 -4.389 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.762 -3.682 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.669 -4.974 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.148 -5.271 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.705 -7.091 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.242 -6.308 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.181 -7.285 8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.893 -6.862 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.979 -9.249 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.268 -8.738 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.547 -9.148 7.380 1.00 0.00 H new ATOM 871 N PRO A 61 5.852 -3.430 5.072 1.00 0.00 N ATOM 872 CA PRO A 61 6.719 -3.827 3.976 1.00 0.00 C ATOM 873 C PRO A 61 6.582 -5.323 3.684 1.00 0.00 C ATOM 874 O PRO A 61 6.883 -6.156 4.537 1.00 0.00 O ATOM 875 CB PRO A 61 8.119 -3.434 4.420 1.00 0.00 C ATOM 876 CG PRO A 61 8.044 -3.259 5.928 1.00 0.00 C ATOM 877 CD PRO A 61 6.577 -3.199 6.318 1.00 0.00 C ATOM 0 HA PRO A 61 6.462 -3.338 3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.844 -4.202 4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.438 -2.511 3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.540 -4.088 6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.557 -2.347 6.232 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.334 -3.956 7.064 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.322 -2.232 6.751 1.00 0.00 H new ATOM 885 N LYS A 62 6.129 -5.618 2.474 1.00 0.00 N ATOM 886 CA LYS A 62 5.949 -6.998 2.058 1.00 0.00 C ATOM 887 C LYS A 62 7.248 -7.771 2.292 1.00 0.00 C ATOM 888 O LYS A 62 8.161 -7.721 1.469 1.00 0.00 O ATOM 889 CB LYS A 62 5.447 -7.062 0.614 1.00 0.00 C ATOM 890 CG LYS A 62 4.315 -8.082 0.472 1.00 0.00 C ATOM 891 CD LYS A 62 3.470 -7.793 -0.771 1.00 0.00 C ATOM 892 CE LYS A 62 4.149 -8.331 -2.032 1.00 0.00 C ATOM 893 NZ LYS A 62 3.390 -7.932 -3.239 1.00 0.00 N ATOM 0 H LYS A 62 5.881 -4.924 1.768 1.00 0.00 H new ATOM 0 HA LYS A 62 5.179 -7.479 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.096 -6.078 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.269 -7.331 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.732 -9.087 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.683 -8.056 1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.486 -8.249 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.314 -6.719 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.169 -7.951 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.217 -9.418 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.028 -7.914 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.625 -8.615 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.983 -6.985 -3.096 1.00 0.00 H new