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 88:sc= -0.61 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 30:sc= 0.252 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 37 GLN : amide:sc= -0.0628 X(o=-0.063,f=-0.34) USER MOD Single : A 38 LYS NZ :NH3+ -103:sc= 0.6 (180deg=-0.0246) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 40:sc= 0.888 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -83:sc= 0.713 USER MOD Single : A 57 ASN : amide:sc= -0.0441 X(o=-0.044,f=0) 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+ 163:sc= -0.644 (180deg=-0.877) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 8.561 1.046 -7.285 1.00 0.00 N ATOM 67 CA GLY A 8 7.441 0.946 -6.364 1.00 0.00 C ATOM 68 C GLY A 8 7.736 -0.058 -5.248 1.00 0.00 C ATOM 69 O GLY A 8 8.434 -1.047 -5.467 1.00 0.00 O ATOM 0 HA2 GLY A 8 7.233 1.925 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.546 0.640 -6.906 1.00 0.00 H new ATOM 73 N GLU A 9 7.191 0.231 -4.076 1.00 0.00 N ATOM 74 CA GLU A 9 7.387 -0.634 -2.925 1.00 0.00 C ATOM 75 C GLU A 9 6.075 -1.327 -2.552 1.00 0.00 C ATOM 76 O GLU A 9 5.075 -0.665 -2.280 1.00 0.00 O ATOM 77 CB GLU A 9 7.949 0.151 -1.739 1.00 0.00 C ATOM 78 CG GLU A 9 9.479 0.143 -1.751 1.00 0.00 C ATOM 79 CD GLU A 9 10.038 0.015 -0.333 1.00 0.00 C ATOM 80 OE1 GLU A 9 10.183 1.073 0.317 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.308 -1.137 0.069 1.00 0.00 O ATOM 0 H GLU A 9 6.613 1.053 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 9 8.116 -1.399 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.587 1.179 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.587 -0.283 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.837 -0.685 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.847 1.061 -2.209 1.00 0.00 H new ATOM 88 N GLU A 10 6.121 -2.651 -2.552 1.00 0.00 N ATOM 89 CA GLU A 10 4.948 -3.441 -2.217 1.00 0.00 C ATOM 90 C GLU A 10 4.728 -3.447 -0.703 1.00 0.00 C ATOM 91 O GLU A 10 5.648 -3.736 0.061 1.00 0.00 O ATOM 92 CB GLU A 10 5.074 -4.866 -2.759 1.00 0.00 C ATOM 93 CG GLU A 10 4.934 -4.888 -4.283 1.00 0.00 C ATOM 94 CD GLU A 10 6.306 -4.915 -4.959 1.00 0.00 C ATOM 95 OE1 GLU A 10 7.033 -5.904 -4.727 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.596 -3.945 -5.693 1.00 0.00 O ATOM 0 H GLU A 10 6.952 -3.197 -2.779 1.00 0.00 H new ATOM 0 HA GLU A 10 4.078 -2.984 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.039 -5.284 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.308 -5.498 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.358 -5.762 -4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.379 -4.010 -4.614 1.00 0.00 H new ATOM 103 N TYR A 11 3.502 -3.127 -0.314 1.00 0.00 N ATOM 104 CA TYR A 11 3.149 -3.092 1.095 1.00 0.00 C ATOM 105 C TYR A 11 1.824 -3.815 1.346 1.00 0.00 C ATOM 106 O TYR A 11 0.953 -3.842 0.478 1.00 0.00 O ATOM 107 CB TYR A 11 2.985 -1.614 1.452 1.00 0.00 C ATOM 108 CG TYR A 11 4.264 -0.955 1.975 1.00 0.00 C ATOM 109 CD1 TYR A 11 5.165 -0.398 1.090 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.515 -0.916 3.331 1.00 0.00 C ATOM 111 CE1 TYR A 11 6.368 0.222 1.582 1.00 0.00 C ATOM 112 CE2 TYR A 11 5.718 -0.296 3.823 1.00 0.00 C ATOM 113 CZ TYR A 11 6.585 0.242 2.924 1.00 0.00 C ATOM 114 OH TYR A 11 7.721 0.828 3.389 1.00 0.00 O ATOM 0 H TYR A 11 2.741 -2.890 -0.950 1.00 0.00 H new ATOM 0 HA TYR A 11 3.914 -3.584 1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.644 -1.073 0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.204 -1.517 2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.968 -0.427 0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.809 -1.350 4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.082 0.661 0.901 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.927 -0.259 4.882 1.00 0.00 H new ATOM 0 HH TYR A 11 7.743 0.769 4.367 1.00 0.00 H new ATOM 124 N ILE A 12 1.713 -4.383 2.538 1.00 0.00 N ATOM 125 CA ILE A 12 0.509 -5.104 2.914 1.00 0.00 C ATOM 126 C ILE A 12 -0.333 -4.230 3.846 1.00 0.00 C ATOM 127 O ILE A 12 0.183 -3.669 4.811 1.00 0.00 O ATOM 128 CB ILE A 12 0.865 -6.469 3.506 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.702 -7.291 2.524 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.392 -7.217 3.954 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.809 -8.170 1.645 1.00 0.00 C ATOM 0 H ILE A 12 2.437 -4.358 3.256 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.101 -5.313 2.035 1.00 0.00 H new ATOM 0 HB ILE A 12 1.477 -6.307 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.292 -6.624 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.405 -7.916 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.111 -8.184 4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.912 -6.632 4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.050 -7.368 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.429 -8.744 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.238 -8.853 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.124 -7.540 1.078 1.00 0.00 H new ATOM 143 N ALA A 13 -1.615 -4.143 3.524 1.00 0.00 N ATOM 144 CA ALA A 13 -2.534 -3.347 4.321 1.00 0.00 C ATOM 145 C ALA A 13 -2.683 -3.981 5.705 1.00 0.00 C ATOM 146 O ALA A 13 -3.230 -5.075 5.835 1.00 0.00 O ATOM 147 CB ALA A 13 -3.871 -3.225 3.588 1.00 0.00 C ATOM 0 H ALA A 13 -2.039 -4.610 2.723 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.146 -2.338 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.560 -2.628 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.714 -2.742 2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.292 -4.218 3.432 1.00 0.00 H new ATOM 153 N LEU A 14 -2.186 -3.267 6.704 1.00 0.00 N ATOM 154 CA LEU A 14 -2.257 -3.746 8.074 1.00 0.00 C ATOM 155 C LEU A 14 -3.699 -3.641 8.573 1.00 0.00 C ATOM 156 O LEU A 14 -4.241 -4.598 9.122 1.00 0.00 O ATOM 157 CB LEU A 14 -1.246 -3.006 8.954 1.00 0.00 C ATOM 158 CG LEU A 14 0.228 -3.325 8.695 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.138 -2.307 9.386 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.558 -4.761 9.106 1.00 0.00 C ATOM 0 H LEU A 14 -1.732 -2.360 6.592 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.978 -4.799 8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.394 -1.934 8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.468 -3.232 9.997 1.00 0.00 H new ATOM 0 HG LEU A 14 0.412 -3.247 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.180 -2.556 9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.924 -1.309 9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.959 -2.330 10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.612 -4.962 8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.354 -4.891 10.169 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.056 -5.454 8.531 1.00 0.00 H new ATOM 172 N TYR A 15 -4.280 -2.468 8.363 1.00 0.00 N ATOM 173 CA TYR A 15 -5.649 -2.226 8.784 1.00 0.00 C ATOM 174 C TYR A 15 -6.478 -1.636 7.641 1.00 0.00 C ATOM 175 O TYR A 15 -5.938 -0.979 6.753 1.00 0.00 O ATOM 176 CB TYR A 15 -5.566 -1.203 9.919 1.00 0.00 C ATOM 177 CG TYR A 15 -4.719 -1.660 11.108 1.00 0.00 C ATOM 178 CD1 TYR A 15 -3.341 -1.632 11.025 1.00 0.00 C ATOM 179 CD2 TYR A 15 -5.332 -2.099 12.264 1.00 0.00 C ATOM 180 CE1 TYR A 15 -2.544 -2.062 12.144 1.00 0.00 C ATOM 181 CE2 TYR A 15 -4.534 -2.529 13.383 1.00 0.00 C ATOM 182 CZ TYR A 15 -3.180 -2.490 13.268 1.00 0.00 C ATOM 183 OH TYR A 15 -2.426 -2.896 14.325 1.00 0.00 O ATOM 0 H TYR A 15 -3.827 -1.676 7.907 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.126 -3.156 9.093 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.152 -0.274 9.527 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.574 -0.981 10.268 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.861 -1.288 10.121 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.410 -2.120 12.329 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.465 -2.045 12.092 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.001 -2.875 14.293 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.014 -3.174 15.059 1.00 0.00 H new ATOM 193 N PRO A 16 -7.811 -1.898 7.703 1.00 0.00 N ATOM 194 CA PRO A 16 -8.720 -1.401 6.685 1.00 0.00 C ATOM 195 C PRO A 16 -8.972 0.098 6.859 1.00 0.00 C ATOM 196 O PRO A 16 -9.526 0.525 7.871 1.00 0.00 O ATOM 197 CB PRO A 16 -9.980 -2.237 6.839 1.00 0.00 C ATOM 198 CG PRO A 16 -9.906 -2.848 8.229 1.00 0.00 C ATOM 199 CD PRO A 16 -8.486 -2.672 8.741 1.00 0.00 C ATOM 0 HA PRO A 16 -8.315 -1.497 5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.873 -1.622 6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.031 -3.012 6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.616 -2.362 8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.172 -3.905 8.196 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.472 -2.149 9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.999 -3.635 8.897 1.00 0.00 H new ATOM 207 N TYR A 17 -8.552 0.857 5.857 1.00 0.00 N ATOM 208 CA TYR A 17 -8.726 2.299 5.887 1.00 0.00 C ATOM 209 C TYR A 17 -9.790 2.745 4.882 1.00 0.00 C ATOM 210 O TYR A 17 -9.622 2.569 3.676 1.00 0.00 O ATOM 211 CB TYR A 17 -7.376 2.895 5.480 1.00 0.00 C ATOM 212 CG TYR A 17 -7.421 4.396 5.186 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.282 5.304 6.216 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.602 4.840 3.892 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.324 6.717 5.939 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.644 6.253 3.616 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.503 7.121 4.653 1.00 0.00 C ATOM 218 OH TYR A 17 -7.544 8.456 4.392 1.00 0.00 O ATOM 0 H TYR A 17 -8.092 0.500 5.020 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.047 2.626 6.876 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.655 2.713 6.277 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.012 2.373 4.595 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.142 4.956 7.229 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.712 4.129 3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.216 7.439 6.735 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.784 6.615 2.608 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.634 8.788 4.240 1.00 0.00 H new ATOM 228 N SER A 18 -10.861 3.313 5.416 1.00 0.00 N ATOM 229 CA SER A 18 -11.953 3.785 4.581 1.00 0.00 C ATOM 230 C SER A 18 -11.965 5.314 4.551 1.00 0.00 C ATOM 231 O SER A 18 -11.800 5.961 5.584 1.00 0.00 O ATOM 232 CB SER A 18 -13.298 3.253 5.081 1.00 0.00 C ATOM 233 OG SER A 18 -13.410 3.334 6.499 1.00 0.00 O ATOM 0 H SER A 18 -10.996 3.457 6.417 1.00 0.00 H new ATOM 0 HA SER A 18 -11.798 3.409 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.106 3.821 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.417 2.216 4.766 1.00 0.00 H new ATOM 0 HG SER A 18 -14.283 2.987 6.779 1.00 0.00 H new ATOM 295 N GLY A 23 -10.285 10.574 -3.436 1.00 0.00 N ATOM 296 CA GLY A 23 -8.895 10.954 -3.621 1.00 0.00 C ATOM 297 C GLY A 23 -7.963 10.019 -2.848 1.00 0.00 C ATOM 298 O GLY A 23 -6.950 9.567 -3.379 1.00 0.00 O ATOM 0 HA2 GLY A 23 -8.645 10.927 -4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.747 11.980 -3.285 1.00 0.00 H new ATOM 302 N ASP A 24 -8.338 9.757 -1.604 1.00 0.00 N ATOM 303 CA ASP A 24 -7.549 8.885 -0.752 1.00 0.00 C ATOM 304 C ASP A 24 -7.804 7.428 -1.146 1.00 0.00 C ATOM 305 O ASP A 24 -8.949 7.026 -1.341 1.00 0.00 O ATOM 306 CB ASP A 24 -7.937 9.052 0.718 1.00 0.00 C ATOM 307 CG ASP A 24 -6.766 9.286 1.674 1.00 0.00 C ATOM 308 OD1 ASP A 24 -6.391 10.468 1.834 1.00 0.00 O ATOM 309 OD2 ASP A 24 -6.271 8.278 2.223 1.00 0.00 O ATOM 0 H ASP A 24 -9.179 10.134 -1.166 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.499 9.149 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.628 9.890 0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.476 8.161 1.039 1.00 0.00 H new ATOM 314 N LEU A 25 -6.717 6.678 -1.249 1.00 0.00 N ATOM 315 CA LEU A 25 -6.808 5.275 -1.616 1.00 0.00 C ATOM 316 C LEU A 25 -7.527 4.508 -0.504 1.00 0.00 C ATOM 317 O LEU A 25 -7.173 4.629 0.667 1.00 0.00 O ATOM 318 CB LEU A 25 -5.423 4.718 -1.952 1.00 0.00 C ATOM 319 CG LEU A 25 -5.400 3.366 -2.668 1.00 0.00 C ATOM 320 CD1 LEU A 25 -5.847 3.509 -4.124 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.023 2.708 -2.553 1.00 0.00 C ATOM 0 H LEU A 25 -5.769 7.015 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.402 5.155 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.902 5.445 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.856 4.626 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.114 2.706 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.821 2.534 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.863 3.904 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.176 4.192 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.034 1.749 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.271 3.355 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.782 2.551 -1.502 1.00 0.00 H new ATOM 333 N THR A 26 -8.523 3.735 -0.912 1.00 0.00 N ATOM 334 CA THR A 26 -9.295 2.948 0.035 1.00 0.00 C ATOM 335 C THR A 26 -9.004 1.457 -0.148 1.00 0.00 C ATOM 336 O THR A 26 -9.056 0.943 -1.264 1.00 0.00 O ATOM 337 CB THR A 26 -10.772 3.305 -0.146 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.052 2.947 -1.496 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.019 4.815 -0.101 1.00 0.00 C ATOM 0 H THR A 26 -8.813 3.637 -1.885 1.00 0.00 H new ATOM 0 HA THR A 26 -9.013 3.179 1.062 1.00 0.00 H new ATOM 0 HB THR A 26 -11.362 2.818 0.631 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.483 2.194 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.082 5.014 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.694 5.208 0.862 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.456 5.300 -0.899 1.00 0.00 H new ATOM 347 N PHE A 27 -8.703 0.805 0.966 1.00 0.00 N ATOM 348 CA PHE A 27 -8.403 -0.617 0.942 1.00 0.00 C ATOM 349 C PHE A 27 -8.719 -1.266 2.291 1.00 0.00 C ATOM 350 O PHE A 27 -9.024 -0.574 3.261 1.00 0.00 O ATOM 351 CB PHE A 27 -6.906 -0.754 0.661 1.00 0.00 C ATOM 352 CG PHE A 27 -6.014 -0.035 1.676 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.779 -0.596 2.892 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.457 1.165 1.362 1.00 0.00 C ATOM 355 CE1 PHE A 27 -4.951 0.070 3.834 1.00 0.00 C ATOM 356 CE2 PHE A 27 -4.629 1.832 2.304 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.394 1.271 3.520 1.00 0.00 C ATOM 0 H PHE A 27 -8.660 1.235 1.890 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.006 -1.112 0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.644 -1.812 0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.696 -0.362 -0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.222 -1.549 3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.644 1.611 0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.763 -0.377 4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.186 2.785 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.765 1.779 4.237 1.00 0.00 H new ATOM 367 N THR A 28 -8.633 -2.588 2.310 1.00 0.00 N ATOM 368 CA THR A 28 -8.906 -3.339 3.524 1.00 0.00 C ATOM 369 C THR A 28 -7.649 -4.080 3.986 1.00 0.00 C ATOM 370 O THR A 28 -6.689 -4.213 3.229 1.00 0.00 O ATOM 371 CB THR A 28 -10.092 -4.265 3.251 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.861 -4.746 1.930 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.416 -3.505 3.144 1.00 0.00 C ATOM 0 H THR A 28 -8.378 -3.159 1.504 1.00 0.00 H new ATOM 0 HA THR A 28 -9.176 -2.677 4.347 1.00 0.00 H new ATOM 0 HB THR A 28 -10.162 -5.007 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.584 -5.356 1.673 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.225 -4.209 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.610 -2.978 4.078 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.357 -2.785 2.327 1.00 0.00 H new ATOM 381 N GLU A 29 -7.697 -4.544 5.226 1.00 0.00 N ATOM 382 CA GLU A 29 -6.575 -5.269 5.797 1.00 0.00 C ATOM 383 C GLU A 29 -6.323 -6.559 5.015 1.00 0.00 C ATOM 384 O GLU A 29 -7.224 -7.383 4.862 1.00 0.00 O ATOM 385 CB GLU A 29 -6.811 -5.563 7.280 1.00 0.00 C ATOM 386 CG GLU A 29 -5.896 -6.689 7.767 1.00 0.00 C ATOM 387 CD GLU A 29 -6.680 -7.990 7.954 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.718 -8.130 7.272 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.223 -8.815 8.775 1.00 0.00 O ATOM 0 H GLU A 29 -8.495 -4.432 5.851 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.686 -4.643 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.629 -4.662 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.853 -5.842 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.091 -6.845 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.430 -6.402 8.710 1.00 0.00 H new ATOM 396 N GLY A 30 -5.093 -6.695 4.541 1.00 0.00 N ATOM 397 CA GLY A 30 -4.711 -7.871 3.778 1.00 0.00 C ATOM 398 C GLY A 30 -4.410 -7.507 2.323 1.00 0.00 C ATOM 399 O GLY A 30 -3.562 -8.131 1.686 1.00 0.00 O ATOM 0 H GLY A 30 -4.348 -6.010 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.833 -8.333 4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.513 -8.608 3.814 1.00 0.00 H new ATOM 403 N GLU A 31 -5.121 -6.500 1.839 1.00 0.00 N ATOM 404 CA GLU A 31 -4.940 -6.045 0.471 1.00 0.00 C ATOM 405 C GLU A 31 -3.465 -5.740 0.203 1.00 0.00 C ATOM 406 O GLU A 31 -2.694 -5.519 1.136 1.00 0.00 O ATOM 407 CB GLU A 31 -5.814 -4.824 0.178 1.00 0.00 C ATOM 408 CG GLU A 31 -7.207 -5.247 -0.293 1.00 0.00 C ATOM 409 CD GLU A 31 -7.225 -5.485 -1.805 1.00 0.00 C ATOM 410 OE1 GLU A 31 -6.823 -6.598 -2.208 1.00 0.00 O ATOM 411 OE2 GLU A 31 -7.641 -4.550 -2.522 1.00 0.00 O ATOM 0 H GLU A 31 -5.824 -5.986 2.370 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.253 -6.844 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.900 -4.210 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.340 -4.208 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.510 -6.157 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.932 -4.476 -0.034 1.00 0.00 H new ATOM 418 N GLU A 32 -3.116 -5.738 -1.075 1.00 0.00 N ATOM 419 CA GLU A 32 -1.747 -5.464 -1.477 1.00 0.00 C ATOM 420 C GLU A 32 -1.647 -4.074 -2.109 1.00 0.00 C ATOM 421 O GLU A 32 -2.044 -3.881 -3.257 1.00 0.00 O ATOM 422 CB GLU A 32 -1.231 -6.540 -2.434 1.00 0.00 C ATOM 423 CG GLU A 32 -0.131 -7.377 -1.777 1.00 0.00 C ATOM 424 CD GLU A 32 0.352 -8.483 -2.717 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.783 -8.129 -3.836 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.279 -9.658 -2.296 1.00 0.00 O ATOM 0 H GLU A 32 -3.758 -5.922 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.117 -5.483 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.054 -7.188 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.845 -6.072 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.706 -6.734 -1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.507 -7.818 -0.854 1.00 0.00 H new ATOM 433 N ILE A 33 -1.116 -3.143 -1.332 1.00 0.00 N ATOM 434 CA ILE A 33 -0.959 -1.776 -1.801 1.00 0.00 C ATOM 435 C ILE A 33 0.455 -1.591 -2.355 1.00 0.00 C ATOM 436 O ILE A 33 1.435 -1.914 -1.686 1.00 0.00 O ATOM 437 CB ILE A 33 -1.320 -0.785 -0.693 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.757 -0.998 -0.213 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.075 0.656 -1.146 1.00 0.00 C ATOM 440 CD1 ILE A 33 -2.807 -1.177 1.305 1.00 0.00 C ATOM 0 H ILE A 33 -0.789 -3.307 -0.380 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.651 -1.571 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.665 -0.971 0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.371 -0.145 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.181 -1.876 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.339 1.341 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.023 0.784 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.688 0.872 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.840 -1.327 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.212 -2.045 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.405 -0.287 1.790 1.00 0.00 H new ATOM 452 N LEU A 34 0.515 -1.072 -3.573 1.00 0.00 N ATOM 453 CA LEU A 34 1.793 -0.840 -4.225 1.00 0.00 C ATOM 454 C LEU A 34 2.123 0.654 -4.174 1.00 0.00 C ATOM 455 O LEU A 34 1.579 1.440 -4.949 1.00 0.00 O ATOM 456 CB LEU A 34 1.785 -1.420 -5.640 1.00 0.00 C ATOM 457 CG LEU A 34 2.972 -1.039 -6.528 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.299 -1.353 -5.834 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.869 -1.710 -7.899 1.00 0.00 C ATOM 0 H LEU A 34 -0.300 -0.806 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 34 2.591 -1.361 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.746 -2.507 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.868 -1.102 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 34 2.943 0.038 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.126 -1.073 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.365 -0.790 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.353 -2.420 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.725 -1.422 -8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.860 -2.793 -7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.949 -1.393 -8.391 1.00 0.00 H new ATOM 471 N VAL A 35 3.012 1.000 -3.255 1.00 0.00 N ATOM 472 CA VAL A 35 3.420 2.385 -3.093 1.00 0.00 C ATOM 473 C VAL A 35 4.474 2.728 -4.148 1.00 0.00 C ATOM 474 O VAL A 35 5.427 1.975 -4.345 1.00 0.00 O ATOM 475 CB VAL A 35 3.907 2.623 -1.662 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.125 4.114 -1.399 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.933 2.024 -0.645 1.00 0.00 C ATOM 0 H VAL A 35 3.461 0.345 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 35 2.573 3.054 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 35 4.866 2.118 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.471 4.256 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.873 4.500 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.187 4.650 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.302 2.207 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.954 2.488 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.848 0.950 -0.811 1.00 0.00 H new ATOM 487 N THR A 36 4.268 3.864 -4.797 1.00 0.00 N ATOM 488 CA THR A 36 5.188 4.315 -5.827 1.00 0.00 C ATOM 489 C THR A 36 5.789 5.671 -5.448 1.00 0.00 C ATOM 490 O THR A 36 6.980 5.904 -5.648 1.00 0.00 O ATOM 491 CB THR A 36 4.436 4.335 -7.158 1.00 0.00 C ATOM 492 OG1 THR A 36 3.481 5.381 -7.002 1.00 0.00 O ATOM 493 CG2 THR A 36 3.584 3.081 -7.368 1.00 0.00 C ATOM 0 H THR A 36 3.477 4.486 -4.630 1.00 0.00 H new ATOM 0 HA THR A 36 6.034 3.635 -5.926 1.00 0.00 H new ATOM 0 HB THR A 36 5.150 4.430 -7.976 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.950 5.464 -7.822 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.071 3.146 -8.328 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.225 2.200 -7.358 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.848 3.003 -6.568 1.00 0.00 H new ATOM 501 N GLN A 37 4.937 6.529 -4.907 1.00 0.00 N ATOM 502 CA GLN A 37 5.368 7.855 -4.499 1.00 0.00 C ATOM 503 C GLN A 37 5.107 8.061 -3.005 1.00 0.00 C ATOM 504 O GLN A 37 3.970 7.955 -2.550 1.00 0.00 O ATOM 505 CB GLN A 37 4.677 8.937 -5.331 1.00 0.00 C ATOM 506 CG GLN A 37 5.583 9.419 -6.465 1.00 0.00 C ATOM 507 CD GLN A 37 4.906 9.234 -7.824 1.00 0.00 C ATOM 508 OE1 GLN A 37 3.721 9.473 -7.994 1.00 0.00 O ATOM 509 NE2 GLN A 37 5.720 8.796 -8.780 1.00 0.00 N ATOM 0 H GLN A 37 3.950 6.332 -4.742 1.00 0.00 H new ATOM 0 HA GLN A 37 6.440 7.938 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.748 8.545 -5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.411 9.778 -4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.828 10.471 -6.317 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.522 8.867 -6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.702 8.615 -8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.363 8.641 -9.723 1.00 0.00 H new ATOM 518 N LYS A 38 6.180 8.353 -2.284 1.00 0.00 N ATOM 519 CA LYS A 38 6.081 8.576 -0.852 1.00 0.00 C ATOM 520 C LYS A 38 6.166 10.076 -0.566 1.00 0.00 C ATOM 521 O LYS A 38 7.250 10.658 -0.600 1.00 0.00 O ATOM 522 CB LYS A 38 7.130 7.747 -0.108 1.00 0.00 C ATOM 523 CG LYS A 38 6.937 6.252 -0.371 1.00 0.00 C ATOM 524 CD LYS A 38 7.686 5.412 0.665 1.00 0.00 C ATOM 525 CE LYS A 38 7.673 3.931 0.282 1.00 0.00 C ATOM 526 NZ LYS A 38 8.842 3.604 -0.566 1.00 0.00 N ATOM 0 H LYS A 38 7.122 8.440 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 38 5.115 8.235 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.128 8.049 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.061 7.943 0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.875 6.008 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.294 6.006 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.715 5.761 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.227 5.542 1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.686 3.316 1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.752 3.695 -0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.540 3.524 -1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.554 4.357 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.254 2.701 -0.256 1.00 0.00 H new ATOM 540 N ASP A 39 5.009 10.660 -0.290 1.00 0.00 N ATOM 541 CA ASP A 39 4.939 12.082 0.001 1.00 0.00 C ATOM 542 C ASP A 39 4.905 12.286 1.517 1.00 0.00 C ATOM 543 O ASP A 39 3.873 12.077 2.152 1.00 0.00 O ATOM 544 CB ASP A 39 3.672 12.703 -0.588 1.00 0.00 C ATOM 545 CG ASP A 39 3.900 13.953 -1.440 1.00 0.00 C ATOM 546 OD1 ASP A 39 4.165 13.775 -2.649 1.00 0.00 O ATOM 547 OD2 ASP A 39 3.804 15.058 -0.864 1.00 0.00 O ATOM 0 H ASP A 39 4.113 10.174 -0.262 1.00 0.00 H new ATOM 0 HA ASP A 39 5.813 12.560 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.168 11.953 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.996 12.957 0.229 1.00 0.00 H new ATOM 552 N GLY A 40 6.047 12.691 2.053 1.00 0.00 N ATOM 553 CA GLY A 40 6.161 12.926 3.483 1.00 0.00 C ATOM 554 C GLY A 40 5.668 11.716 4.278 1.00 0.00 C ATOM 555 O GLY A 40 6.315 10.669 4.288 1.00 0.00 O ATOM 0 H GLY A 40 6.902 12.862 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.200 13.135 3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.581 13.807 3.758 1.00 0.00 H new ATOM 559 N GLU A 41 4.527 11.898 4.926 1.00 0.00 N ATOM 560 CA GLU A 41 3.940 10.834 5.722 1.00 0.00 C ATOM 561 C GLU A 41 2.886 10.081 4.907 1.00 0.00 C ATOM 562 O GLU A 41 2.740 8.868 5.046 1.00 0.00 O ATOM 563 CB GLU A 41 3.340 11.386 7.017 1.00 0.00 C ATOM 564 CG GLU A 41 4.387 12.161 7.819 1.00 0.00 C ATOM 565 CD GLU A 41 4.625 11.510 9.184 1.00 0.00 C ATOM 566 OE1 GLU A 41 3.613 11.182 9.840 1.00 0.00 O ATOM 567 OE2 GLU A 41 5.814 11.356 9.539 1.00 0.00 O ATOM 0 H GLU A 41 3.993 12.767 4.916 1.00 0.00 H new ATOM 0 HA GLU A 41 4.729 10.133 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.499 12.039 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.949 10.566 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.323 12.198 7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.057 13.191 7.956 1.00 0.00 H new ATOM 574 N TRP A 42 2.179 10.832 4.076 1.00 0.00 N ATOM 575 CA TRP A 42 1.143 10.251 3.239 1.00 0.00 C ATOM 576 C TRP A 42 1.801 9.755 1.949 1.00 0.00 C ATOM 577 O TRP A 42 2.201 10.554 1.105 1.00 0.00 O ATOM 578 CB TRP A 42 0.015 11.253 2.987 1.00 0.00 C ATOM 579 CG TRP A 42 -0.844 11.545 4.219 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.581 12.387 5.228 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.125 10.958 4.533 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.593 12.385 6.166 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.562 11.489 5.729 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.889 10.011 3.829 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.777 11.134 6.327 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.100 9.666 4.440 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.555 10.191 5.644 1.00 0.00 C ATOM 0 H TRP A 42 2.303 11.838 3.964 1.00 0.00 H new ATOM 0 HA TRP A 42 0.673 9.404 3.739 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.446 12.187 2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.626 10.871 2.192 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.311 12.991 5.298 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.624 12.939 7.022 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.567 9.584 2.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.097 11.564 7.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.725 8.941 3.941 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.504 9.873 6.051 1.00 0.00 H new ATOM 598 N TRP A 43 1.891 8.437 1.838 1.00 0.00 N ATOM 599 CA TRP A 43 2.493 7.825 0.666 1.00 0.00 C ATOM 600 C TRP A 43 1.371 7.483 -0.317 1.00 0.00 C ATOM 601 O TRP A 43 0.226 7.284 0.087 1.00 0.00 O ATOM 602 CB TRP A 43 3.338 6.611 1.055 1.00 0.00 C ATOM 603 CG TRP A 43 4.374 6.897 2.144 1.00 0.00 C ATOM 604 CD1 TRP A 43 4.935 8.072 2.461 1.00 0.00 C ATOM 605 CD2 TRP A 43 4.954 5.937 3.052 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.830 7.940 3.503 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.842 6.600 3.874 1.00 0.00 C ATOM 608 CE3 TRP A 43 4.735 4.553 3.175 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.582 5.962 4.877 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.482 3.930 4.182 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.380 4.584 5.018 1.00 0.00 C ATOM 0 H TRP A 43 1.557 7.777 2.540 1.00 0.00 H new ATOM 0 HA TRP A 43 3.183 8.516 0.181 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.676 5.815 1.397 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.851 6.239 0.168 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.714 9.005 1.964 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.381 8.688 3.924 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.045 4.014 2.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.271 6.504 5.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.352 2.867 4.319 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.919 4.031 5.773 1.00 0.00 H new ATOM 622 N THR A 44 1.740 7.423 -1.588 1.00 0.00 N ATOM 623 CA THR A 44 0.779 7.108 -2.632 1.00 0.00 C ATOM 624 C THR A 44 0.812 5.613 -2.954 1.00 0.00 C ATOM 625 O THR A 44 1.822 5.100 -3.433 1.00 0.00 O ATOM 626 CB THR A 44 1.084 7.997 -3.840 1.00 0.00 C ATOM 627 OG1 THR A 44 0.519 9.258 -3.494 1.00 0.00 O ATOM 628 CG2 THR A 44 0.311 7.572 -5.090 1.00 0.00 C ATOM 0 H THR A 44 2.691 7.587 -1.919 1.00 0.00 H new ATOM 0 HA THR A 44 -0.240 7.316 -2.307 1.00 0.00 H new ATOM 0 HB THR A 44 2.153 7.971 -4.049 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.673 9.896 -4.222 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.564 8.235 -5.917 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.577 6.548 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.759 7.630 -4.893 1.00 0.00 H new ATOM 636 N GLY A 45 -0.305 4.956 -2.677 1.00 0.00 N ATOM 637 CA GLY A 45 -0.416 3.529 -2.930 1.00 0.00 C ATOM 638 C GLY A 45 -1.167 3.262 -4.237 1.00 0.00 C ATOM 639 O GLY A 45 -1.747 4.175 -4.822 1.00 0.00 O ATOM 0 H GLY A 45 -1.141 5.385 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.579 3.086 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.937 3.048 -2.102 1.00 0.00 H new ATOM 643 N SER A 46 -1.131 2.006 -4.656 1.00 0.00 N ATOM 644 CA SER A 46 -1.801 1.607 -5.882 1.00 0.00 C ATOM 645 C SER A 46 -2.260 0.151 -5.778 1.00 0.00 C ATOM 646 O SER A 46 -1.593 -0.670 -5.149 1.00 0.00 O ATOM 647 CB SER A 46 -0.885 1.789 -7.094 1.00 0.00 C ATOM 648 OG SER A 46 -1.618 2.116 -8.272 1.00 0.00 O ATOM 0 H SER A 46 -0.648 1.251 -4.168 1.00 0.00 H new ATOM 0 HA SER A 46 -2.673 2.247 -6.019 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.161 2.577 -6.887 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.319 0.873 -7.262 1.00 0.00 H new ATOM 0 HG SER A 46 -2.339 2.740 -8.046 1.00 0.00 H new ATOM 654 N ILE A 47 -3.394 -0.125 -6.403 1.00 0.00 N ATOM 655 CA ILE A 47 -3.950 -1.468 -6.389 1.00 0.00 C ATOM 656 C ILE A 47 -4.486 -1.808 -7.780 1.00 0.00 C ATOM 657 O ILE A 47 -5.485 -1.241 -8.221 1.00 0.00 O ATOM 658 CB ILE A 47 -4.993 -1.604 -5.278 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.365 -1.364 -3.903 1.00 0.00 C ATOM 660 CG2 ILE A 47 -5.704 -2.957 -5.355 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.442 -1.153 -2.837 1.00 0.00 C ATOM 0 H ILE A 47 -3.944 0.559 -6.923 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.175 -2.199 -6.159 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.750 -0.834 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.741 -2.215 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.713 -0.491 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.440 -3.027 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.206 -3.050 -6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.973 -3.759 -5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.969 -0.985 -1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.049 -0.287 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.077 -2.037 -2.781 1.00 0.00 H new ATOM 673 N GLY A 48 -3.798 -2.733 -8.434 1.00 0.00 N ATOM 674 CA GLY A 48 -4.192 -3.156 -9.767 1.00 0.00 C ATOM 675 C GLY A 48 -4.124 -1.989 -10.755 1.00 0.00 C ATOM 676 O GLY A 48 -3.183 -1.893 -11.543 1.00 0.00 O ATOM 0 H GLY A 48 -2.970 -3.201 -8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.540 -3.961 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.205 -3.556 -9.741 1.00 0.00 H new ATOM 680 N ASP A 49 -5.132 -1.133 -10.682 1.00 0.00 N ATOM 681 CA ASP A 49 -5.198 0.023 -11.560 1.00 0.00 C ATOM 682 C ASP A 49 -5.777 1.211 -10.789 1.00 0.00 C ATOM 683 O ASP A 49 -6.248 2.175 -11.391 1.00 0.00 O ATOM 684 CB ASP A 49 -6.105 -0.249 -12.761 1.00 0.00 C ATOM 685 CG ASP A 49 -5.800 0.589 -14.005 1.00 0.00 C ATOM 686 OD1 ASP A 49 -5.674 1.821 -13.841 1.00 0.00 O ATOM 687 OD2 ASP A 49 -5.700 -0.023 -15.091 1.00 0.00 O ATOM 0 H ASP A 49 -5.910 -1.217 -10.028 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.189 0.238 -11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.028 -1.304 -13.024 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.138 -0.069 -12.465 1.00 0.00 H new ATOM 692 N ARG A 50 -5.724 1.102 -9.470 1.00 0.00 N ATOM 693 CA ARG A 50 -6.238 2.155 -8.611 1.00 0.00 C ATOM 694 C ARG A 50 -5.101 3.073 -8.158 1.00 0.00 C ATOM 695 O ARG A 50 -3.941 2.663 -8.130 1.00 0.00 O ATOM 696 CB ARG A 50 -6.934 1.572 -7.380 1.00 0.00 C ATOM 697 CG ARG A 50 -8.182 0.782 -7.778 1.00 0.00 C ATOM 698 CD ARG A 50 -8.991 0.375 -6.545 1.00 0.00 C ATOM 699 NE ARG A 50 -9.013 -1.100 -6.418 1.00 0.00 N ATOM 700 CZ ARG A 50 -9.926 -1.779 -5.711 1.00 0.00 C ATOM 701 NH1 ARG A 50 -10.897 -1.121 -5.063 1.00 0.00 N ATOM 702 NH2 ARG A 50 -9.868 -3.117 -5.652 1.00 0.00 N ATOM 0 H ARG A 50 -5.333 0.301 -8.975 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.964 2.727 -9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.244 0.922 -6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.211 2.377 -6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.802 1.385 -8.441 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.891 -0.108 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.554 0.819 -5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.009 0.757 -6.625 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.288 -1.632 -6.899 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.941 -0.103 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.592 -1.638 -4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.129 -3.618 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.563 -3.634 -5.114 1.00 0.00 H new ATOM 716 N SER A 51 -5.472 4.298 -7.816 1.00 0.00 N ATOM 717 CA SER A 51 -4.498 5.277 -7.366 1.00 0.00 C ATOM 718 C SER A 51 -5.130 6.205 -6.326 1.00 0.00 C ATOM 719 O SER A 51 -6.280 6.614 -6.472 1.00 0.00 O ATOM 720 CB SER A 51 -3.951 6.091 -8.541 1.00 0.00 C ATOM 721 OG SER A 51 -4.707 5.883 -9.731 1.00 0.00 O ATOM 0 H SER A 51 -6.434 4.635 -7.842 1.00 0.00 H new ATOM 0 HA SER A 51 -3.664 4.744 -6.909 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.962 7.150 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.911 5.817 -8.719 1.00 0.00 H new ATOM 0 HG SER A 51 -4.328 6.421 -10.457 1.00 0.00 H new ATOM 727 N GLY A 52 -4.349 6.510 -5.300 1.00 0.00 N ATOM 728 CA GLY A 52 -4.818 7.383 -4.237 1.00 0.00 C ATOM 729 C GLY A 52 -3.778 7.495 -3.121 1.00 0.00 C ATOM 730 O GLY A 52 -2.735 6.844 -3.171 1.00 0.00 O ATOM 0 H GLY A 52 -3.395 6.168 -5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.031 8.373 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.753 6.997 -3.830 1.00 0.00 H new ATOM 734 N ILE A 53 -4.097 8.326 -2.139 1.00 0.00 N ATOM 735 CA ILE A 53 -3.203 8.532 -1.013 1.00 0.00 C ATOM 736 C ILE A 53 -3.712 7.735 0.190 1.00 0.00 C ATOM 737 O ILE A 53 -4.904 7.446 0.287 1.00 0.00 O ATOM 738 CB ILE A 53 -3.030 10.026 -0.732 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.350 10.656 -0.282 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.435 10.746 -1.943 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.102 11.824 0.674 1.00 0.00 C ATOM 0 H ILE A 53 -4.962 8.864 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.206 8.157 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.323 10.139 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.906 11.005 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.967 9.904 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.322 11.806 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.460 10.319 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.098 10.626 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.056 12.254 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.568 11.467 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.505 12.585 0.171 1.00 0.00 H new ATOM 753 N PHE A 54 -2.784 7.403 1.076 1.00 0.00 N ATOM 754 CA PHE A 54 -3.125 6.646 2.268 1.00 0.00 C ATOM 755 C PHE A 54 -2.128 6.920 3.395 1.00 0.00 C ATOM 756 O PHE A 54 -1.034 7.426 3.152 1.00 0.00 O ATOM 757 CB PHE A 54 -3.055 5.164 1.891 1.00 0.00 C ATOM 758 CG PHE A 54 -1.633 4.641 1.683 1.00 0.00 C ATOM 759 CD1 PHE A 54 -1.000 4.846 0.496 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.001 3.972 2.684 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.320 4.360 0.302 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.320 3.486 2.490 1.00 0.00 C ATOM 763 CZ PHE A 54 0.952 3.691 1.303 1.00 0.00 C ATOM 0 H PHE A 54 -1.797 7.645 0.992 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.117 6.931 2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.536 4.578 2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.627 5.005 0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.502 5.378 -0.299 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.503 3.810 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.822 4.522 -0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.822 2.954 3.285 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.956 3.322 1.156 1.00 0.00 H new ATOM 773 N PRO A 55 -2.553 6.566 4.637 1.00 0.00 N ATOM 774 CA PRO A 55 -1.710 6.769 5.803 1.00 0.00 C ATOM 775 C PRO A 55 -0.586 5.732 5.854 1.00 0.00 C ATOM 776 O PRO A 55 -0.846 4.533 5.936 1.00 0.00 O ATOM 777 CB PRO A 55 -2.654 6.680 6.992 1.00 0.00 C ATOM 778 CG PRO A 55 -3.899 5.973 6.483 1.00 0.00 C ATOM 779 CD PRO A 55 -3.843 5.964 4.964 1.00 0.00 C ATOM 0 HA PRO A 55 -1.198 7.731 5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.198 6.126 7.812 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.896 7.672 7.373 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.944 4.955 6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.797 6.485 6.829 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.918 4.950 4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.666 6.534 4.534 1.00 0.00 H new ATOM 787 N SER A 56 0.640 6.232 5.804 1.00 0.00 N ATOM 788 CA SER A 56 1.805 5.365 5.843 1.00 0.00 C ATOM 789 C SER A 56 1.993 4.805 7.254 1.00 0.00 C ATOM 790 O SER A 56 3.038 5.005 7.871 1.00 0.00 O ATOM 791 CB SER A 56 3.063 6.112 5.396 1.00 0.00 C ATOM 792 OG SER A 56 3.513 7.037 6.382 1.00 0.00 O ATOM 0 H SER A 56 0.852 7.228 5.737 1.00 0.00 H new ATOM 0 HA SER A 56 1.641 4.540 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.855 5.394 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.858 6.644 4.467 1.00 0.00 H new ATOM 0 HG SER A 56 3.007 7.873 6.302 1.00 0.00 H new ATOM 798 N ASN A 57 0.964 4.115 7.725 1.00 0.00 N ATOM 799 CA ASN A 57 1.003 3.524 9.052 1.00 0.00 C ATOM 800 C ASN A 57 0.325 2.153 9.016 1.00 0.00 C ATOM 801 O ASN A 57 0.850 1.183 9.559 1.00 0.00 O ATOM 802 CB ASN A 57 0.256 4.395 10.064 1.00 0.00 C ATOM 803 CG ASN A 57 0.443 3.865 11.487 1.00 0.00 C ATOM 804 OD1 ASN A 57 1.409 4.166 12.167 1.00 0.00 O ATOM 805 ND2 ASN A 57 -0.534 3.060 11.897 1.00 0.00 N ATOM 0 H ASN A 57 0.098 3.952 7.211 1.00 0.00 H new ATOM 0 HA ASN A 57 2.047 3.437 9.352 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.619 5.421 10.004 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.805 4.417 9.817 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.502 2.654 12.832 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.315 2.849 11.276 1.00 0.00 H new ATOM 812 N TYR A 58 -0.831 2.118 8.370 1.00 0.00 N ATOM 813 CA TYR A 58 -1.587 0.882 8.256 1.00 0.00 C ATOM 814 C TYR A 58 -1.113 0.058 7.056 1.00 0.00 C ATOM 815 O TYR A 58 -1.925 -0.524 6.339 1.00 0.00 O ATOM 816 CB TYR A 58 -3.042 1.296 8.032 1.00 0.00 C ATOM 817 CG TYR A 58 -3.678 2.009 9.227 1.00 0.00 C ATOM 818 CD1 TYR A 58 -3.478 1.525 10.504 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.451 3.135 9.029 1.00 0.00 C ATOM 820 CE1 TYR A 58 -4.076 2.196 11.630 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.049 3.805 10.154 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.832 3.302 11.399 1.00 0.00 C ATOM 823 OH TYR A 58 -5.397 3.935 12.462 1.00 0.00 O ATOM 0 H TYR A 58 -1.263 2.925 7.920 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.459 0.271 9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.093 1.951 7.162 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.629 0.408 7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.873 0.644 10.659 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.607 3.514 8.030 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -3.927 1.829 12.635 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.656 4.687 10.013 1.00 0.00 H new ATOM 0 HH TYR A 58 -5.908 4.710 12.148 1.00 0.00 H new ATOM 833 N VAL A 59 0.199 0.036 6.876 1.00 0.00 N ATOM 834 CA VAL A 59 0.791 -0.707 5.776 1.00 0.00 C ATOM 835 C VAL A 59 2.145 -1.268 6.215 1.00 0.00 C ATOM 836 O VAL A 59 2.901 -0.597 6.915 1.00 0.00 O ATOM 837 CB VAL A 59 0.886 0.184 4.535 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.498 0.669 4.101 1.00 0.00 C ATOM 839 CG2 VAL A 59 1.830 1.363 4.778 1.00 0.00 C ATOM 0 H VAL A 59 0.869 0.521 7.473 1.00 0.00 H new ATOM 0 HA VAL A 59 0.162 -1.554 5.504 1.00 0.00 H new ATOM 0 HB VAL A 59 1.300 -0.414 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.402 1.300 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.128 -0.190 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.952 1.243 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.880 1.980 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.458 1.961 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.826 0.989 5.016 1.00 0.00 H new ATOM 849 N LYS A 60 2.409 -2.493 5.784 1.00 0.00 N ATOM 850 CA LYS A 60 3.659 -3.152 6.124 1.00 0.00 C ATOM 851 C LYS A 60 4.410 -3.505 4.839 1.00 0.00 C ATOM 852 O LYS A 60 3.802 -3.647 3.779 1.00 0.00 O ATOM 853 CB LYS A 60 3.401 -4.353 7.036 1.00 0.00 C ATOM 854 CG LYS A 60 2.750 -5.500 6.260 1.00 0.00 C ATOM 855 CD LYS A 60 2.918 -6.828 7.001 1.00 0.00 C ATOM 856 CE LYS A 60 1.639 -7.664 6.925 1.00 0.00 C ATOM 857 NZ LYS A 60 1.619 -8.680 8.001 1.00 0.00 N ATOM 0 H LYS A 60 1.779 -3.046 5.203 1.00 0.00 H new ATOM 0 HA LYS A 60 4.301 -2.481 6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.341 -4.691 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.755 -4.055 7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.690 -5.291 6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.197 -5.573 5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.748 -7.387 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.170 -6.637 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.768 -7.015 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.575 -8.154 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.744 -9.239 7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.440 -9.310 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.658 -8.207 8.926 1.00 0.00 H new ATOM 871 N PRO A 61 5.756 -3.641 4.978 1.00 0.00 N ATOM 872 CA PRO A 61 6.596 -3.976 3.841 1.00 0.00 C ATOM 873 C PRO A 61 6.451 -5.452 3.467 1.00 0.00 C ATOM 874 O PRO A 61 6.797 -6.332 4.254 1.00 0.00 O ATOM 875 CB PRO A 61 8.007 -3.608 4.273 1.00 0.00 C ATOM 876 CG PRO A 61 7.969 -3.519 5.790 1.00 0.00 C ATOM 877 CD PRO A 61 6.511 -3.481 6.218 1.00 0.00 C ATOM 0 HA PRO A 61 6.316 -3.435 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.725 -4.359 3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.315 -2.659 3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.475 -4.375 6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.491 -2.626 6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.285 -4.279 6.925 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.268 -2.540 6.711 1.00 0.00 H new ATOM 885 N LYS A 62 5.939 -5.678 2.267 1.00 0.00 N ATOM 886 CA LYS A 62 5.743 -7.033 1.779 1.00 0.00 C ATOM 887 C LYS A 62 7.061 -7.802 1.883 1.00 0.00 C ATOM 888 O LYS A 62 7.922 -7.687 1.012 1.00 0.00 O ATOM 889 CB LYS A 62 5.151 -7.014 0.368 1.00 0.00 C ATOM 890 CG LYS A 62 4.174 -8.174 0.168 1.00 0.00 C ATOM 891 CD LYS A 62 3.228 -7.899 -1.002 1.00 0.00 C ATOM 892 CE LYS A 62 3.581 -8.771 -2.209 1.00 0.00 C ATOM 893 NZ LYS A 62 4.416 -8.014 -3.168 1.00 0.00 N ATOM 0 H LYS A 62 5.653 -4.945 1.617 1.00 0.00 H new ATOM 0 HA LYS A 62 5.016 -7.560 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.637 -6.068 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.953 -7.078 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.729 -9.094 -0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.596 -8.328 1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.200 -8.093 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.284 -6.847 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.114 -9.662 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.669 -9.109 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.882 -8.676 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.816 -7.359 -3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.138 -7.474 -2.649 1.00 0.00 H new