USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 666 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 13 SER OG : rot 16:sc= 0.165 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.772 F(o=-1.4!,f=-0.77) USER MOD Single : A 32 GLN : amide:sc= -1.39! C(o=-1.4!,f=-1.2!) USER MOD Single : A 33 CYS SG : rot -28:sc= -2.06! USER MOD Single : A 34 SER OG : rot 180:sc= -0.629 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.31! C(o=-1.3!,f=-4.5!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 31:sc= 0.582 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.315 X(o=-0.32,f=-0.009) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.05 K(o=-1,f=-2.7!) USER MOD Single : A 78 THR OG1 : rot -33:sc= 0.614 USER MOD Single : A 79 TYR OH : rot -9:sc= 0.897 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 103:sc= -0.045 USER MOD Single : A 85 ASN : amide:sc= -8.01! C(o=-8!,f=-26!) USER MOD Single : A 89 GLN : amide:sc= -2.17 X(o=-2.2,f=-2.6!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -106:sc= 0.971 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= -3.35! C(o=-3.4!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 9 18.719 -0.802 1.286 1.00 0.00 N ATOM 84 CA GLU A 9 17.311 -0.870 0.913 1.00 0.00 C ATOM 85 C GLU A 9 16.502 -1.611 1.974 1.00 0.00 C ATOM 86 O GLU A 9 17.038 -2.025 3.002 1.00 0.00 O ATOM 87 CB GLU A 9 17.153 -1.564 -0.441 1.00 0.00 C ATOM 88 CG GLU A 9 17.481 -0.670 -1.625 1.00 0.00 C ATOM 89 CD GLU A 9 18.009 -1.448 -2.815 1.00 0.00 C ATOM 90 OE1 GLU A 9 17.382 -2.463 -3.185 1.00 0.00 O ATOM 91 OE2 GLU A 9 19.048 -1.043 -3.376 1.00 0.00 O ATOM 0 HA GLU A 9 16.932 0.149 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.800 -2.441 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.128 -1.921 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.586 -0.123 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.221 0.070 -1.322 1.00 0.00 H new ATOM 98 N VAL A 10 15.208 -1.773 1.717 1.00 0.00 N ATOM 99 CA VAL A 10 14.325 -2.464 2.649 1.00 0.00 C ATOM 100 C VAL A 10 13.292 -3.305 1.906 1.00 0.00 C ATOM 101 O VAL A 10 12.922 -2.994 0.774 1.00 0.00 O ATOM 102 CB VAL A 10 13.594 -1.470 3.571 1.00 0.00 C ATOM 103 CG1 VAL A 10 12.350 -2.111 4.168 1.00 0.00 C ATOM 104 CG2 VAL A 10 14.527 -0.974 4.665 1.00 0.00 C ATOM 0 H VAL A 10 14.748 -1.435 0.872 1.00 0.00 H new ATOM 0 HA VAL A 10 14.953 -3.117 3.256 1.00 0.00 H new ATOM 0 HB VAL A 10 13.281 -0.612 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.847 -1.394 4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.675 -2.411 3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.636 -2.988 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.994 -0.273 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.873 -1.820 5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.384 -0.474 4.213 1.00 0.00 H new ATOM 114 N ALA A 11 12.831 -4.371 2.551 1.00 0.00 N ATOM 115 CA ALA A 11 11.838 -5.256 1.953 1.00 0.00 C ATOM 116 C ALA A 11 10.425 -4.735 2.190 1.00 0.00 C ATOM 117 O ALA A 11 10.182 -3.903 3.064 1.00 0.00 O ATOM 118 CB ALA A 11 11.984 -6.664 2.509 1.00 0.00 C ATOM 0 H ALA A 11 13.129 -4.643 3.488 1.00 0.00 H new ATOM 0 HA ALA A 11 12.011 -5.282 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.237 -7.314 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.981 -7.043 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.839 -6.645 3.589 1.00 0.00 H new ATOM 124 N PRO A 12 9.468 -5.234 1.393 1.00 0.00 N ATOM 125 CA PRO A 12 8.062 -4.833 1.497 1.00 0.00 C ATOM 126 C PRO A 12 7.405 -5.348 2.773 1.00 0.00 C ATOM 127 O PRO A 12 7.494 -6.534 3.094 1.00 0.00 O ATOM 128 CB PRO A 12 7.418 -5.477 0.267 1.00 0.00 C ATOM 129 CG PRO A 12 8.291 -6.641 -0.053 1.00 0.00 C ATOM 130 CD PRO A 12 9.686 -6.230 0.330 1.00 0.00 C ATOM 0 HA PRO A 12 7.949 -3.750 1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.396 -5.794 0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.370 -4.777 -0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.979 -7.527 0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.235 -6.891 -1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.271 -7.078 0.687 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.226 -5.804 -0.516 1.00 0.00 H new ATOM 138 N SER A 13 6.746 -4.450 3.498 1.00 0.00 N ATOM 139 CA SER A 13 6.077 -4.814 4.742 1.00 0.00 C ATOM 140 C SER A 13 4.824 -3.969 4.951 1.00 0.00 C ATOM 141 O SER A 13 4.739 -2.835 4.478 1.00 0.00 O ATOM 142 CB SER A 13 7.028 -4.639 5.927 1.00 0.00 C ATOM 143 OG SER A 13 7.904 -5.747 6.045 1.00 0.00 O ATOM 0 H SER A 13 6.661 -3.465 3.246 1.00 0.00 H new ATOM 0 HA SER A 13 5.781 -5.861 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.608 -3.725 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.453 -4.527 6.846 1.00 0.00 H new ATOM 0 HG SER A 13 7.887 -6.268 5.215 1.00 0.00 H new ATOM 149 N PHE A 14 3.852 -4.529 5.664 1.00 0.00 N ATOM 150 CA PHE A 14 2.602 -3.829 5.937 1.00 0.00 C ATOM 151 C PHE A 14 2.532 -3.390 7.396 1.00 0.00 C ATOM 152 O PHE A 14 2.142 -4.163 8.270 1.00 0.00 O ATOM 153 CB PHE A 14 1.408 -4.725 5.604 1.00 0.00 C ATOM 154 CG PHE A 14 1.097 -4.789 4.136 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.528 -3.705 3.487 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.373 -5.933 3.405 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.240 -3.761 2.137 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.088 -5.995 2.054 1.00 0.00 C ATOM 159 CZ PHE A 14 0.521 -4.907 1.419 1.00 0.00 C ATOM 0 H PHE A 14 3.906 -5.466 6.063 1.00 0.00 H new ATOM 0 HA PHE A 14 2.567 -2.940 5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.607 -5.733 5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.530 -4.360 6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.307 -2.806 4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.816 -6.786 3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.205 -2.909 1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.308 -6.893 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.298 -4.952 0.363 1.00 0.00 H new ATOM 169 N SER A 15 2.914 -2.142 7.651 1.00 0.00 N ATOM 170 CA SER A 15 2.899 -1.600 9.005 1.00 0.00 C ATOM 171 C SER A 15 1.500 -1.686 9.609 1.00 0.00 C ATOM 172 O SER A 15 1.336 -2.050 10.773 1.00 0.00 O ATOM 173 CB SER A 15 3.377 -0.147 9.001 1.00 0.00 C ATOM 174 OG SER A 15 4.779 -0.072 8.811 1.00 0.00 O ATOM 0 H SER A 15 3.237 -1.488 6.938 1.00 0.00 H new ATOM 0 HA SER A 15 3.577 -2.196 9.616 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.870 0.404 8.209 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.109 0.330 9.944 1.00 0.00 H new ATOM 0 HG SER A 15 5.059 0.867 8.811 1.00 0.00 H new ATOM 180 N SER A 16 0.495 -1.347 8.808 1.00 0.00 N ATOM 181 CA SER A 16 -0.890 -1.381 9.263 1.00 0.00 C ATOM 182 C SER A 16 -1.787 -2.050 8.226 1.00 0.00 C ATOM 183 O SER A 16 -2.248 -1.409 7.281 1.00 0.00 O ATOM 184 CB SER A 16 -1.390 0.036 9.549 1.00 0.00 C ATOM 185 OG SER A 16 -0.527 0.710 10.448 1.00 0.00 O ATOM 0 H SER A 16 0.614 -1.046 7.841 1.00 0.00 H new ATOM 0 HA SER A 16 -0.930 -1.965 10.182 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.458 0.596 8.616 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.395 -0.007 9.969 1.00 0.00 H new ATOM 0 HG SER A 16 -0.868 1.614 10.613 1.00 0.00 H new ATOM 191 N VAL A 17 -2.029 -3.344 8.408 1.00 0.00 N ATOM 192 CA VAL A 17 -2.870 -4.102 7.490 1.00 0.00 C ATOM 193 C VAL A 17 -4.301 -3.576 7.495 1.00 0.00 C ATOM 194 O VAL A 17 -4.794 -3.094 8.516 1.00 0.00 O ATOM 195 CB VAL A 17 -2.885 -5.600 7.847 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.473 -6.166 7.833 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.542 -5.818 9.201 1.00 0.00 C ATOM 0 H VAL A 17 -1.654 -3.890 9.184 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.443 -3.978 6.495 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.471 -6.129 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.503 -7.225 8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.042 -6.044 6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.861 -5.635 8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.544 -6.882 9.437 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.986 -5.277 9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.568 -5.451 9.171 1.00 0.00 H new ATOM 207 N LEU A 18 -4.965 -3.672 6.348 1.00 0.00 N ATOM 208 CA LEU A 18 -6.342 -3.206 6.220 1.00 0.00 C ATOM 209 C LEU A 18 -7.239 -3.866 7.262 1.00 0.00 C ATOM 210 O LEU A 18 -6.905 -4.917 7.809 1.00 0.00 O ATOM 211 CB LEU A 18 -6.871 -3.499 4.815 1.00 0.00 C ATOM 212 CG LEU A 18 -6.057 -2.921 3.657 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.212 -3.782 2.413 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.481 -1.487 3.371 1.00 0.00 C ATOM 0 H LEU A 18 -4.573 -4.068 5.494 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.353 -2.129 6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.928 -4.580 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.889 -3.115 4.744 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.005 -2.918 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.626 -3.355 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.859 -4.792 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.262 -3.817 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.891 -1.091 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.538 -1.466 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.318 -0.875 4.258 1.00 0.00 H new ATOM 226 N LYS A 19 -8.382 -3.242 7.531 1.00 0.00 N ATOM 227 CA LYS A 19 -9.330 -3.770 8.505 1.00 0.00 C ATOM 228 C LYS A 19 -10.752 -3.731 7.954 1.00 0.00 C ATOM 229 O LYS A 19 -11.078 -2.900 7.106 1.00 0.00 O ATOM 230 CB LYS A 19 -9.254 -2.970 9.807 1.00 0.00 C ATOM 231 CG LYS A 19 -7.877 -2.981 10.448 1.00 0.00 C ATOM 232 CD LYS A 19 -7.721 -4.145 11.412 1.00 0.00 C ATOM 233 CE LYS A 19 -6.256 -4.436 11.702 1.00 0.00 C ATOM 234 NZ LYS A 19 -5.627 -3.358 12.515 1.00 0.00 N ATOM 0 H LYS A 19 -8.674 -2.371 7.088 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.065 -4.808 8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.544 -1.939 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.978 -3.374 10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.114 -3.045 9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.714 -2.043 10.979 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.240 -3.919 12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.193 -5.033 10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.172 -5.386 12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.714 -4.545 10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.629 -3.593 12.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.684 -2.456 12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.128 -3.271 13.422 1.00 0.00 H new ATOM 248 N ASP A 20 -11.596 -4.634 8.443 1.00 0.00 N ATOM 249 CA ASP A 20 -12.984 -4.701 8.002 1.00 0.00 C ATOM 250 C ASP A 20 -13.645 -3.328 8.077 1.00 0.00 C ATOM 251 O ASP A 20 -13.408 -2.565 9.014 1.00 0.00 O ATOM 252 CB ASP A 20 -13.764 -5.704 8.853 1.00 0.00 C ATOM 253 CG ASP A 20 -13.808 -5.310 10.316 1.00 0.00 C ATOM 254 OD1 ASP A 20 -12.728 -5.098 10.906 1.00 0.00 O ATOM 255 OD2 ASP A 20 -14.923 -5.215 10.872 1.00 0.00 O ATOM 0 H ASP A 20 -11.343 -5.329 9.145 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.994 -5.033 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.782 -5.786 8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.307 -6.689 8.758 1.00 0.00 H new ATOM 260 N CYS A 21 -14.474 -3.021 7.085 1.00 0.00 N ATOM 261 CA CYS A 21 -15.168 -1.739 7.038 1.00 0.00 C ATOM 262 C CYS A 21 -16.542 -1.889 6.394 1.00 0.00 C ATOM 263 O CYS A 21 -16.758 -2.774 5.567 1.00 0.00 O ATOM 264 CB CYS A 21 -14.337 -0.714 6.265 1.00 0.00 C ATOM 265 SG CYS A 21 -14.592 0.995 6.797 1.00 0.00 S ATOM 0 H CYS A 21 -14.682 -3.642 6.303 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.303 -1.388 8.061 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.281 -0.963 6.372 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.577 -0.793 5.205 1.00 0.00 H new ATOM 0 HG CYS A 21 -13.845 1.787 6.086 1.00 0.00 H new ATOM 271 N ALA A 22 -17.469 -1.018 6.781 1.00 0.00 N ATOM 272 CA ALA A 22 -18.822 -1.053 6.241 1.00 0.00 C ATOM 273 C ALA A 22 -19.173 0.262 5.553 1.00 0.00 C ATOM 274 O ALA A 22 -18.654 1.319 5.910 1.00 0.00 O ATOM 275 CB ALA A 22 -19.824 -1.356 7.345 1.00 0.00 C ATOM 0 H ALA A 22 -17.307 -0.280 7.466 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.868 -1.847 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.830 -1.379 6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.594 -2.324 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.767 -0.582 8.111 1.00 0.00 H new ATOM 281 N VAL A 23 -20.057 0.189 4.562 1.00 0.00 N ATOM 282 CA VAL A 23 -20.477 1.374 3.824 1.00 0.00 C ATOM 283 C VAL A 23 -21.908 1.227 3.318 1.00 0.00 C ATOM 284 O VAL A 23 -22.370 0.119 3.047 1.00 0.00 O ATOM 285 CB VAL A 23 -19.547 1.649 2.628 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.699 0.565 1.572 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.830 3.023 2.038 1.00 0.00 C ATOM 0 H VAL A 23 -20.496 -0.678 4.252 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.424 2.214 4.517 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.516 1.636 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.034 0.777 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.442 -0.402 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.730 0.543 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.164 3.201 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.865 3.067 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.664 3.787 2.798 1.00 0.00 H new ATOM 297 N ILE A 24 -22.603 2.353 3.192 1.00 0.00 N ATOM 298 CA ILE A 24 -23.981 2.349 2.716 1.00 0.00 C ATOM 299 C ILE A 24 -24.037 2.398 1.193 1.00 0.00 C ATOM 300 O ILE A 24 -23.174 2.995 0.550 1.00 0.00 O ATOM 301 CB ILE A 24 -24.776 3.539 3.286 1.00 0.00 C ATOM 302 CG1 ILE A 24 -24.949 3.387 4.798 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.130 3.648 2.600 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.511 4.621 5.470 1.00 0.00 C ATOM 0 H ILE A 24 -22.235 3.278 3.413 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.433 1.420 3.064 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.218 4.456 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -25.609 2.543 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -23.983 3.149 5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.680 4.493 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -25.985 3.798 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.696 2.731 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -25.606 4.441 6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -24.841 5.464 5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -26.491 4.849 5.052 1.00 0.00 H new ATOM 316 N GLU A 25 -25.059 1.767 0.623 1.00 0.00 N ATOM 317 CA GLU A 25 -25.227 1.740 -0.825 1.00 0.00 C ATOM 318 C GLU A 25 -25.201 3.152 -1.403 1.00 0.00 C ATOM 319 O GLU A 25 -26.128 3.935 -1.199 1.00 0.00 O ATOM 320 CB GLU A 25 -26.542 1.050 -1.195 1.00 0.00 C ATOM 321 CG GLU A 25 -26.780 0.957 -2.693 1.00 0.00 C ATOM 322 CD GLU A 25 -28.152 0.408 -3.032 1.00 0.00 C ATOM 323 OE1 GLU A 25 -29.155 1.075 -2.704 1.00 0.00 O ATOM 324 OE2 GLU A 25 -28.223 -0.689 -3.626 1.00 0.00 O ATOM 0 H GLU A 25 -25.782 1.268 1.141 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.397 1.177 -1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.547 0.046 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.369 1.593 -0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.669 1.946 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -26.017 0.319 -3.140 1.00 0.00 H new ATOM 331 N GLY A 26 -24.130 3.471 -2.124 1.00 0.00 N ATOM 332 CA GLY A 26 -24.002 4.788 -2.719 1.00 0.00 C ATOM 333 C GLY A 26 -22.972 5.646 -2.012 1.00 0.00 C ATOM 334 O GLY A 26 -22.380 6.540 -2.616 1.00 0.00 O ATOM 0 H GLY A 26 -23.349 2.841 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -23.725 4.684 -3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -24.969 5.291 -2.693 1.00 0.00 H new ATOM 338 N GLN A 27 -22.760 5.376 -0.728 1.00 0.00 N ATOM 339 CA GLN A 27 -21.796 6.132 0.062 1.00 0.00 C ATOM 340 C GLN A 27 -20.388 5.977 -0.503 1.00 0.00 C ATOM 341 O GLN A 27 -20.177 5.263 -1.483 1.00 0.00 O ATOM 342 CB GLN A 27 -21.827 5.671 1.521 1.00 0.00 C ATOM 343 CG GLN A 27 -22.834 6.423 2.375 1.00 0.00 C ATOM 344 CD GLN A 27 -22.680 7.928 2.271 1.00 0.00 C ATOM 345 OE1 GLN A 27 -23.374 8.530 1.312 1.00 0.00 O flip ATOM 346 NE2 GLN A 27 -21.945 8.543 3.045 1.00 0.00 N flip ATOM 0 H GLN A 27 -23.243 4.640 -0.213 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.072 7.185 0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -22.060 4.607 1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.834 5.793 1.953 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.843 6.143 2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.719 6.121 3.416 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -21.430 8.040 3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -21.851 9.555 2.963 1.00 0.00 H new ATOM 355 N ASP A 28 -19.428 6.651 0.121 1.00 0.00 N ATOM 356 CA ASP A 28 -18.039 6.588 -0.319 1.00 0.00 C ATOM 357 C ASP A 28 -17.135 6.093 0.805 1.00 0.00 C ATOM 358 O ASP A 28 -17.343 6.420 1.974 1.00 0.00 O ATOM 359 CB ASP A 28 -17.571 7.963 -0.799 1.00 0.00 C ATOM 360 CG ASP A 28 -18.654 8.714 -1.548 1.00 0.00 C ATOM 361 OD1 ASP A 28 -19.494 8.055 -2.195 1.00 0.00 O ATOM 362 OD2 ASP A 28 -18.661 9.961 -1.486 1.00 0.00 O ATOM 0 H ASP A 28 -19.586 7.247 0.933 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.978 5.882 -1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -17.250 8.554 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -16.702 7.842 -1.446 1.00 0.00 H new ATOM 367 N PHE A 29 -16.130 5.301 0.445 1.00 0.00 N ATOM 368 CA PHE A 29 -15.195 4.758 1.423 1.00 0.00 C ATOM 369 C PHE A 29 -13.840 4.474 0.781 1.00 0.00 C ATOM 370 O PHE A 29 -13.764 3.901 -0.306 1.00 0.00 O ATOM 371 CB PHE A 29 -15.758 3.477 2.042 1.00 0.00 C ATOM 372 CG PHE A 29 -15.535 2.255 1.198 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.367 1.519 1.316 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.494 1.843 0.287 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.159 0.395 0.539 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.292 0.719 -0.492 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.123 -0.007 -0.365 1.00 0.00 C ATOM 0 H PHE A 29 -15.942 5.021 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.056 5.502 2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.299 3.323 3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.828 3.603 2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.611 1.827 2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.410 2.406 0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.243 -0.169 0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.047 0.409 -1.199 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.964 -0.887 -0.971 1.00 0.00 H new ATOM 387 N VAL A 30 -12.773 4.879 1.461 1.00 0.00 N ATOM 388 CA VAL A 30 -11.421 4.668 0.959 1.00 0.00 C ATOM 389 C VAL A 30 -10.580 3.879 1.957 1.00 0.00 C ATOM 390 O VAL A 30 -10.227 4.384 3.024 1.00 0.00 O ATOM 391 CB VAL A 30 -10.719 6.005 0.658 1.00 0.00 C ATOM 392 CG1 VAL A 30 -10.805 6.937 1.857 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.270 5.768 0.260 1.00 0.00 C ATOM 0 H VAL A 30 -12.819 5.355 2.362 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.513 4.098 0.035 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.229 6.482 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.303 7.876 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.851 7.133 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.322 6.471 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.789 6.724 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.746 5.269 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.235 5.142 -0.631 1.00 0.00 H new ATOM 403 N LEU A 31 -10.262 2.639 1.605 1.00 0.00 N ATOM 404 CA LEU A 31 -9.462 1.779 2.469 1.00 0.00 C ATOM 405 C LEU A 31 -8.046 2.325 2.621 1.00 0.00 C ATOM 406 O LEU A 31 -7.265 2.321 1.671 1.00 0.00 O ATOM 407 CB LEU A 31 -9.415 0.357 1.905 1.00 0.00 C ATOM 408 CG LEU A 31 -10.755 -0.237 1.471 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.552 -1.257 0.361 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.467 -0.871 2.657 1.00 0.00 C ATOM 0 H LEU A 31 -10.546 2.206 0.726 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.931 1.758 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.742 0.350 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.977 -0.297 2.659 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.380 0.569 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.517 -1.669 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.085 -0.773 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.908 -2.061 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.419 -1.289 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.846 -1.665 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.647 -0.114 3.421 1.00 0.00 H new ATOM 422 N GLN A 32 -7.723 2.792 3.823 1.00 0.00 N ATOM 423 CA GLN A 32 -6.401 3.341 4.099 1.00 0.00 C ATOM 424 C GLN A 32 -5.553 2.347 4.886 1.00 0.00 C ATOM 425 O GLN A 32 -6.006 1.785 5.884 1.00 0.00 O ATOM 426 CB GLN A 32 -6.521 4.654 4.874 1.00 0.00 C ATOM 427 CG GLN A 32 -5.193 5.364 5.079 1.00 0.00 C ATOM 428 CD GLN A 32 -5.283 6.492 6.087 1.00 0.00 C ATOM 429 OE1 GLN A 32 -6.089 6.446 7.016 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.454 7.514 5.908 1.00 0.00 N ATOM 0 H GLN A 32 -8.359 2.801 4.621 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.910 3.535 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.201 5.319 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.969 4.452 5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.447 4.642 5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.847 5.761 4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.802 7.510 5.124 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.469 8.303 6.555 1.00 0.00 H new ATOM 439 N CYS A 33 -4.323 2.136 4.432 1.00 0.00 N ATOM 440 CA CYS A 33 -3.412 1.208 5.094 1.00 0.00 C ATOM 441 C CYS A 33 -1.988 1.754 5.096 1.00 0.00 C ATOM 442 O CYS A 33 -1.672 2.694 4.367 1.00 0.00 O ATOM 443 CB CYS A 33 -3.448 -0.155 4.402 1.00 0.00 C ATOM 444 SG CYS A 33 -2.955 -0.114 2.663 1.00 0.00 S ATOM 0 H CYS A 33 -3.933 2.594 3.608 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.738 1.091 6.127 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.792 -0.840 4.938 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.458 -0.560 4.473 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.216 1.058 2.165 1.00 0.00 H new ATOM 450 N SER A 34 -1.133 1.159 5.922 1.00 0.00 N ATOM 451 CA SER A 34 0.257 1.589 6.024 1.00 0.00 C ATOM 452 C SER A 34 1.192 0.554 5.406 1.00 0.00 C ATOM 453 O SER A 34 1.285 -0.578 5.882 1.00 0.00 O ATOM 454 CB SER A 34 0.633 1.825 7.487 1.00 0.00 C ATOM 455 OG SER A 34 1.921 2.408 7.595 1.00 0.00 O ATOM 0 H SER A 34 -1.378 0.378 6.530 1.00 0.00 H new ATOM 0 HA SER A 34 0.365 2.524 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.105 2.477 7.955 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.612 0.879 8.028 1.00 0.00 H new ATOM 0 HG SER A 34 2.137 2.550 8.540 1.00 0.00 H new ATOM 461 N VAL A 35 1.884 0.950 4.343 1.00 0.00 N ATOM 462 CA VAL A 35 2.814 0.058 3.660 1.00 0.00 C ATOM 463 C VAL A 35 4.148 0.749 3.400 1.00 0.00 C ATOM 464 O VAL A 35 4.202 1.791 2.746 1.00 0.00 O ATOM 465 CB VAL A 35 2.236 -0.437 2.322 1.00 0.00 C ATOM 466 CG1 VAL A 35 1.673 0.726 1.519 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.298 -1.181 1.526 1.00 0.00 C ATOM 0 H VAL A 35 1.818 1.883 3.936 1.00 0.00 H new ATOM 0 HA VAL A 35 2.973 -0.797 4.317 1.00 0.00 H new ATOM 0 HB VAL A 35 1.421 -1.129 2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.269 0.356 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.880 1.211 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.466 1.446 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.872 -1.524 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.136 -0.513 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.648 -2.039 2.100 1.00 0.00 H new ATOM 477 N ARG A 36 5.223 0.162 3.917 1.00 0.00 N ATOM 478 CA ARG A 36 6.557 0.722 3.741 1.00 0.00 C ATOM 479 C ARG A 36 7.459 -0.249 2.985 1.00 0.00 C ATOM 480 O ARG A 36 7.234 -1.459 2.997 1.00 0.00 O ATOM 481 CB ARG A 36 7.176 1.057 5.099 1.00 0.00 C ATOM 482 CG ARG A 36 6.343 2.023 5.926 1.00 0.00 C ATOM 483 CD ARG A 36 7.051 2.406 7.216 1.00 0.00 C ATOM 484 NE ARG A 36 7.486 1.234 7.971 1.00 0.00 N ATOM 485 CZ ARG A 36 8.314 1.293 9.008 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.794 2.462 9.412 1.00 0.00 N ATOM 487 NH2 ARG A 36 8.664 0.182 9.644 1.00 0.00 N ATOM 0 H ARG A 36 5.196 -0.701 4.461 1.00 0.00 H new ATOM 0 HA ARG A 36 6.465 1.637 3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.314 0.135 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.166 1.486 4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.138 2.920 5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.381 1.568 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.915 3.029 6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.382 3.006 7.832 1.00 0.00 H new ATOM 0 HE ARG A 36 7.135 0.320 7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.527 3.318 8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.430 2.505 10.209 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.297 -0.719 9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.300 0.229 10.440 1.00 0.00 H new ATOM 501 N GLY A 37 8.481 0.289 2.328 1.00 0.00 N ATOM 502 CA GLY A 37 9.401 -0.543 1.575 1.00 0.00 C ATOM 503 C GLY A 37 10.290 0.264 0.650 1.00 0.00 C ATOM 504 O GLY A 37 9.863 1.275 0.091 1.00 0.00 O ATOM 0 H GLY A 37 8.689 1.287 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.023 -1.110 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.835 -1.267 0.989 1.00 0.00 H new ATOM 508 N THR A 38 11.532 -0.182 0.487 1.00 0.00 N ATOM 509 CA THR A 38 12.484 0.507 -0.375 1.00 0.00 C ATOM 510 C THR A 38 13.233 -0.478 -1.265 1.00 0.00 C ATOM 511 O THR A 38 13.876 -1.415 -0.791 1.00 0.00 O ATOM 512 CB THR A 38 13.505 1.315 0.449 1.00 0.00 C ATOM 513 OG1 THR A 38 12.874 2.470 1.014 1.00 0.00 O ATOM 514 CG2 THR A 38 14.680 1.745 -0.416 1.00 0.00 C ATOM 0 H THR A 38 11.902 -1.017 0.941 1.00 0.00 H new ATOM 0 HA THR A 38 11.908 1.191 -0.999 1.00 0.00 H new ATOM 0 HB THR A 38 13.879 0.677 1.250 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.529 2.977 1.538 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.387 2.314 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.176 0.863 -0.821 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.320 2.367 -1.236 1.00 0.00 H new ATOM 522 N PRO A 39 13.151 -0.263 -2.586 1.00 0.00 N ATOM 523 CA PRO A 39 12.388 0.848 -3.162 1.00 0.00 C ATOM 524 C PRO A 39 10.883 0.665 -2.999 1.00 0.00 C ATOM 525 O PRO A 39 10.414 -0.418 -2.648 1.00 0.00 O ATOM 526 CB PRO A 39 12.774 0.814 -4.643 1.00 0.00 C ATOM 527 CG PRO A 39 13.172 -0.599 -4.898 1.00 0.00 C ATOM 528 CD PRO A 39 13.795 -1.090 -3.621 1.00 0.00 C ATOM 0 HA PRO A 39 12.613 1.794 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.938 1.111 -5.277 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.594 1.501 -4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.308 -1.205 -5.169 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.878 -0.662 -5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.604 -2.152 -3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.877 -0.958 -3.625 1.00 0.00 H new ATOM 536 N VAL A 40 10.130 1.730 -3.255 1.00 0.00 N ATOM 537 CA VAL A 40 8.678 1.685 -3.138 1.00 0.00 C ATOM 538 C VAL A 40 8.105 0.470 -3.859 1.00 0.00 C ATOM 539 O VAL A 40 8.279 0.294 -5.065 1.00 0.00 O ATOM 540 CB VAL A 40 8.029 2.960 -3.710 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.513 2.856 -3.661 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.513 4.189 -2.955 1.00 0.00 C ATOM 0 H VAL A 40 10.502 2.634 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 40 8.449 1.614 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 40 8.328 3.062 -4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.073 3.766 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.188 1.999 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.190 2.729 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.044 5.080 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.246 4.098 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.596 4.271 -3.049 1.00 0.00 H new ATOM 552 N PRO A 41 7.406 -0.390 -3.104 1.00 0.00 N ATOM 553 CA PRO A 41 6.792 -1.604 -3.650 1.00 0.00 C ATOM 554 C PRO A 41 5.612 -1.296 -4.566 1.00 0.00 C ATOM 555 O PRO A 41 5.037 -0.209 -4.508 1.00 0.00 O ATOM 556 CB PRO A 41 6.319 -2.354 -2.402 1.00 0.00 C ATOM 557 CG PRO A 41 6.122 -1.293 -1.375 1.00 0.00 C ATOM 558 CD PRO A 41 7.159 -0.243 -1.660 1.00 0.00 C ATOM 0 HA PRO A 41 7.489 -2.171 -4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.393 -2.897 -2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.057 -3.087 -2.077 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.117 -0.875 -1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.241 -1.696 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.798 0.756 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.066 -0.406 -1.079 1.00 0.00 H new ATOM 566 N ARG A 42 5.257 -2.260 -5.409 1.00 0.00 N ATOM 567 CA ARG A 42 4.146 -2.090 -6.338 1.00 0.00 C ATOM 568 C ARG A 42 2.808 -2.215 -5.614 1.00 0.00 C ATOM 569 O ARG A 42 2.547 -3.212 -4.940 1.00 0.00 O ATOM 570 CB ARG A 42 4.229 -3.127 -7.460 1.00 0.00 C ATOM 571 CG ARG A 42 5.072 -2.677 -8.643 1.00 0.00 C ATOM 572 CD ARG A 42 6.557 -2.849 -8.365 1.00 0.00 C ATOM 573 NE ARG A 42 7.334 -2.969 -9.596 1.00 0.00 N ATOM 574 CZ ARG A 42 7.685 -1.931 -10.348 1.00 0.00 C ATOM 575 NH1 ARG A 42 7.331 -0.703 -9.996 1.00 0.00 N ATOM 576 NH2 ARG A 42 8.392 -2.121 -11.455 1.00 0.00 N ATOM 0 H ARG A 42 5.722 -3.166 -5.468 1.00 0.00 H new ATOM 0 HA ARG A 42 4.215 -1.091 -6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.645 -4.051 -7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.222 -3.355 -7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.797 -3.252 -9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.861 -1.631 -8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.919 -1.997 -7.789 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.711 -3.737 -7.751 1.00 0.00 H new ATOM 0 HE ARG A 42 7.623 -3.900 -9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.788 -0.553 -9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.602 0.092 -10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.666 -3.064 -11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.661 -1.324 -12.032 1.00 0.00 H new ATOM 590 N ILE A 43 1.966 -1.198 -5.759 1.00 0.00 N ATOM 591 CA ILE A 43 0.656 -1.195 -5.120 1.00 0.00 C ATOM 592 C ILE A 43 -0.446 -1.519 -6.122 1.00 0.00 C ATOM 593 O ILE A 43 -0.723 -0.737 -7.033 1.00 0.00 O ATOM 594 CB ILE A 43 0.354 0.165 -4.463 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.525 0.603 -3.582 1.00 0.00 C ATOM 596 CG2 ILE A 43 -0.928 0.087 -3.648 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.898 -0.412 -2.524 1.00 0.00 C ATOM 0 H ILE A 43 2.167 -0.366 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 43 0.679 -1.965 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 43 0.218 0.908 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.393 0.793 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.271 1.545 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.128 1.056 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.758 -0.184 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.818 -0.667 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.735 -0.035 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.044 -0.585 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.183 -1.349 -3.003 1.00 0.00 H new ATOM 609 N THR A 44 -1.074 -2.677 -5.949 1.00 0.00 N ATOM 610 CA THR A 44 -2.147 -3.105 -6.838 1.00 0.00 C ATOM 611 C THR A 44 -3.307 -3.705 -6.051 1.00 0.00 C ATOM 612 O THR A 44 -3.107 -4.562 -5.190 1.00 0.00 O ATOM 613 CB THR A 44 -1.648 -4.141 -7.863 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.599 -3.576 -8.658 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.783 -4.601 -8.765 1.00 0.00 C ATOM 0 H THR A 44 -0.858 -3.336 -5.201 1.00 0.00 H new ATOM 0 HA THR A 44 -2.491 -2.217 -7.368 1.00 0.00 H new ATOM 0 HB THR A 44 -1.267 -5.004 -7.318 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.286 -4.241 -9.306 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.406 -5.332 -9.480 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.567 -5.056 -8.160 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.191 -3.745 -9.302 1.00 0.00 H new ATOM 623 N TRP A 45 -4.518 -3.250 -6.352 1.00 0.00 N ATOM 624 CA TRP A 45 -5.710 -3.744 -5.672 1.00 0.00 C ATOM 625 C TRP A 45 -6.500 -4.685 -6.573 1.00 0.00 C ATOM 626 O TRP A 45 -6.741 -4.384 -7.743 1.00 0.00 O ATOM 627 CB TRP A 45 -6.594 -2.574 -5.235 1.00 0.00 C ATOM 628 CG TRP A 45 -5.890 -1.600 -4.340 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.908 -0.720 -4.697 1.00 0.00 C ATOM 630 CD2 TRP A 45 -6.113 -1.408 -2.939 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.508 0.007 -3.601 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.232 -0.396 -2.511 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.973 -1.992 -2.004 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.187 0.043 -1.190 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.927 -1.556 -0.693 1.00 0.00 C ATOM 636 CH2 TRP A 45 -6.040 -0.546 -0.296 1.00 0.00 C ATOM 0 H TRP A 45 -4.700 -2.540 -7.062 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.391 -4.299 -4.790 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.953 -2.049 -6.120 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.471 -2.964 -4.718 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.505 -0.611 -5.693 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.788 0.730 -3.600 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.661 -2.770 -2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.503 0.820 -0.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.586 -2.001 0.038 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.029 -0.226 0.736 1.00 0.00 H new ATOM 647 N LEU A 46 -6.902 -5.826 -6.023 1.00 0.00 N ATOM 648 CA LEU A 46 -7.667 -6.812 -6.778 1.00 0.00 C ATOM 649 C LEU A 46 -8.862 -7.309 -5.971 1.00 0.00 C ATOM 650 O LEU A 46 -8.798 -7.409 -4.745 1.00 0.00 O ATOM 651 CB LEU A 46 -6.772 -7.991 -7.166 1.00 0.00 C ATOM 652 CG LEU A 46 -5.296 -7.667 -7.396 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.544 -7.642 -6.074 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.670 -8.675 -8.349 1.00 0.00 C ATOM 0 H LEU A 46 -6.711 -6.091 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.039 -6.332 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.840 -8.746 -6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.171 -8.440 -8.076 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.227 -6.678 -7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.495 -7.410 -6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.976 -6.881 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.621 -8.617 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.619 -8.428 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.750 -9.676 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.192 -8.644 -9.306 1.00 0.00 H new ATOM 666 N LEU A 47 -9.949 -7.623 -6.667 1.00 0.00 N ATOM 667 CA LEU A 47 -11.159 -8.112 -6.015 1.00 0.00 C ATOM 668 C LEU A 47 -11.245 -9.633 -6.098 1.00 0.00 C ATOM 669 O LEU A 47 -11.830 -10.181 -7.031 1.00 0.00 O ATOM 670 CB LEU A 47 -12.398 -7.485 -6.657 1.00 0.00 C ATOM 671 CG LEU A 47 -13.729 -7.760 -5.958 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.669 -7.320 -4.503 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.868 -7.058 -6.683 1.00 0.00 C ATOM 0 H LEU A 47 -10.017 -7.548 -7.682 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.117 -7.825 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.251 -6.406 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.470 -7.842 -7.684 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.916 -8.834 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.625 -7.524 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.880 -7.869 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.458 -6.252 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.808 -7.265 -6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.688 -5.983 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.926 -7.422 -7.709 1.00 0.00 H new ATOM 685 N ASN A 48 -10.659 -10.308 -5.115 1.00 0.00 N ATOM 686 CA ASN A 48 -10.670 -11.766 -5.076 1.00 0.00 C ATOM 687 C ASN A 48 -10.555 -12.349 -6.481 1.00 0.00 C ATOM 688 O ASN A 48 -11.335 -13.218 -6.870 1.00 0.00 O ATOM 689 CB ASN A 48 -11.950 -12.269 -4.406 1.00 0.00 C ATOM 690 CG ASN A 48 -13.166 -11.448 -4.792 1.00 0.00 C ATOM 691 OD1 ASN A 48 -13.546 -10.513 -4.087 1.00 0.00 O ATOM 692 ND2 ASN A 48 -13.781 -11.795 -5.917 1.00 0.00 N ATOM 0 H ASN A 48 -10.170 -9.869 -4.335 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.809 -12.096 -4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.116 -13.310 -4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.825 -12.242 -3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.604 -11.279 -6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.430 -12.577 -6.470 1.00 0.00 H new ATOM 699 N GLY A 49 -9.576 -11.864 -7.239 1.00 0.00 N ATOM 700 CA GLY A 49 -9.377 -12.348 -8.593 1.00 0.00 C ATOM 701 C GLY A 49 -8.370 -11.517 -9.363 1.00 0.00 C ATOM 702 O GLY A 49 -7.169 -11.593 -9.109 1.00 0.00 O ATOM 0 H GLY A 49 -8.917 -11.145 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.039 -13.384 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.330 -12.341 -9.122 1.00 0.00 H new ATOM 706 N GLN A 50 -8.861 -10.722 -10.309 1.00 0.00 N ATOM 707 CA GLN A 50 -7.995 -9.875 -11.120 1.00 0.00 C ATOM 708 C GLN A 50 -7.905 -8.470 -10.535 1.00 0.00 C ATOM 709 O GLN A 50 -8.770 -8.029 -9.778 1.00 0.00 O ATOM 710 CB GLN A 50 -8.513 -9.810 -12.558 1.00 0.00 C ATOM 711 CG GLN A 50 -8.064 -10.979 -13.420 1.00 0.00 C ATOM 712 CD GLN A 50 -8.596 -10.897 -14.838 1.00 0.00 C ATOM 713 OE1 GLN A 50 -9.662 -10.332 -15.081 1.00 0.00 O ATOM 714 NE2 GLN A 50 -7.853 -11.461 -15.782 1.00 0.00 N ATOM 0 H GLN A 50 -9.853 -10.647 -10.532 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.997 -10.313 -11.120 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.602 -9.779 -12.542 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.174 -8.881 -13.016 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.975 -11.009 -13.446 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.398 -11.911 -12.964 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.976 -11.919 -15.535 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.159 -11.437 -16.755 1.00 0.00 H new ATOM 723 N PRO A 51 -6.833 -7.747 -10.893 1.00 0.00 N ATOM 724 CA PRO A 51 -6.604 -6.380 -10.415 1.00 0.00 C ATOM 725 C PRO A 51 -7.595 -5.385 -11.008 1.00 0.00 C ATOM 726 O PRO A 51 -7.953 -5.477 -12.183 1.00 0.00 O ATOM 727 CB PRO A 51 -5.183 -6.070 -10.894 1.00 0.00 C ATOM 728 CG PRO A 51 -4.980 -6.956 -12.075 1.00 0.00 C ATOM 729 CD PRO A 51 -5.762 -8.209 -11.793 1.00 0.00 C ATOM 0 HA PRO A 51 -6.732 -6.299 -9.336 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.077 -5.019 -11.164 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.449 -6.275 -10.115 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -5.330 -6.475 -12.988 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.923 -7.180 -12.218 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.165 -8.645 -12.707 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.142 -8.972 -11.322 1.00 0.00 H new ATOM 737 N ILE A 52 -8.035 -4.435 -10.189 1.00 0.00 N ATOM 738 CA ILE A 52 -8.983 -3.423 -10.635 1.00 0.00 C ATOM 739 C ILE A 52 -8.360 -2.509 -11.685 1.00 0.00 C ATOM 740 O ILE A 52 -7.207 -2.098 -11.557 1.00 0.00 O ATOM 741 CB ILE A 52 -9.485 -2.565 -9.458 1.00 0.00 C ATOM 742 CG1 ILE A 52 -10.244 -3.434 -8.453 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.371 -1.436 -9.965 1.00 0.00 C ATOM 744 CD1 ILE A 52 -10.507 -2.743 -7.133 1.00 0.00 C ATOM 0 H ILE A 52 -7.750 -4.346 -9.214 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.827 -3.954 -11.074 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.624 -2.126 -8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -11.195 -3.736 -8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.674 -4.345 -8.270 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.718 -0.839 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.801 -0.805 -10.647 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.229 -1.855 -10.490 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.048 -3.418 -6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.559 -2.465 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.103 -1.847 -7.304 1.00 0.00 H new ATOM 756 N GLN A 53 -9.131 -2.194 -12.720 1.00 0.00 N ATOM 757 CA GLN A 53 -8.654 -1.328 -13.792 1.00 0.00 C ATOM 758 C GLN A 53 -8.907 0.139 -13.459 1.00 0.00 C ATOM 759 O GLN A 53 -8.037 0.988 -13.652 1.00 0.00 O ATOM 760 CB GLN A 53 -9.338 -1.690 -15.111 1.00 0.00 C ATOM 761 CG GLN A 53 -9.404 -3.186 -15.373 1.00 0.00 C ATOM 762 CD GLN A 53 -8.194 -3.699 -16.129 1.00 0.00 C ATOM 763 OE1 GLN A 53 -7.085 -3.190 -15.969 1.00 0.00 O ATOM 764 NE2 GLN A 53 -8.403 -4.714 -16.960 1.00 0.00 N ATOM 0 H GLN A 53 -10.088 -2.525 -12.839 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.579 -1.478 -13.896 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.350 -1.285 -15.109 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.804 -1.209 -15.931 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.485 -3.714 -14.423 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.306 -3.412 -15.942 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.339 -5.105 -17.062 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.627 -5.102 -17.496 1.00 0.00 H new ATOM 773 N TYR A 54 -10.103 0.429 -12.960 1.00 0.00 N ATOM 774 CA TYR A 54 -10.472 1.794 -12.603 1.00 0.00 C ATOM 775 C TYR A 54 -10.190 2.067 -11.129 1.00 0.00 C ATOM 776 O TYR A 54 -11.041 2.590 -10.410 1.00 0.00 O ATOM 777 CB TYR A 54 -11.951 2.041 -12.906 1.00 0.00 C ATOM 778 CG TYR A 54 -12.890 1.264 -12.010 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.124 -0.089 -12.223 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.542 1.884 -10.951 1.00 0.00 C ATOM 781 CE1 TYR A 54 -13.982 -0.802 -11.407 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.400 1.178 -10.129 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.617 -0.164 -10.362 1.00 0.00 C ATOM 784 OH TYR A 54 -15.471 -0.871 -9.547 1.00 0.00 O ATOM 0 H TYR A 54 -10.834 -0.263 -12.793 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.867 2.475 -13.202 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.162 3.106 -12.803 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.150 1.776 -13.944 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.627 -0.592 -13.040 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.376 2.935 -10.767 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.154 -1.853 -11.587 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.898 1.674 -9.309 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.835 -0.275 -8.859 1.00 0.00 H new ATOM 794 N ALA A 55 -8.990 1.708 -10.686 1.00 0.00 N ATOM 795 CA ALA A 55 -8.593 1.916 -9.299 1.00 0.00 C ATOM 796 C ALA A 55 -7.773 3.192 -9.148 1.00 0.00 C ATOM 797 O ALA A 55 -6.601 3.236 -9.521 1.00 0.00 O ATOM 798 CB ALA A 55 -7.807 0.717 -8.790 1.00 0.00 C ATOM 0 H ALA A 55 -8.275 1.271 -11.268 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.497 2.024 -8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.517 0.886 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.427 -0.177 -8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.913 0.582 -9.399 1.00 0.00 H new ATOM 804 N ARG A 56 -8.397 4.230 -8.599 1.00 0.00 N ATOM 805 CA ARG A 56 -7.725 5.508 -8.401 1.00 0.00 C ATOM 806 C ARG A 56 -6.963 5.522 -7.079 1.00 0.00 C ATOM 807 O ARG A 56 -6.983 6.513 -6.350 1.00 0.00 O ATOM 808 CB ARG A 56 -8.740 6.652 -8.429 1.00 0.00 C ATOM 809 CG ARG A 56 -9.378 6.867 -9.791 1.00 0.00 C ATOM 810 CD ARG A 56 -10.716 7.581 -9.674 1.00 0.00 C ATOM 811 NE ARG A 56 -10.557 8.981 -9.292 1.00 0.00 N ATOM 812 CZ ARG A 56 -10.048 9.909 -10.094 1.00 0.00 C ATOM 813 NH1 ARG A 56 -9.650 9.586 -11.317 1.00 0.00 N ATOM 814 NH2 ARG A 56 -9.936 11.163 -9.675 1.00 0.00 N ATOM 0 H ARG A 56 -9.367 4.210 -8.284 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.012 5.645 -9.214 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.523 6.450 -7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.246 7.573 -8.119 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.707 7.451 -10.420 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.520 5.905 -10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.243 7.523 -10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.335 7.072 -8.936 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.853 9.262 -8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.735 8.623 -11.643 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.259 10.300 -11.931 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.241 11.416 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.545 11.874 -10.293 1.00 0.00 H new ATOM 828 N SER A 57 -6.291 4.415 -6.777 1.00 0.00 N ATOM 829 CA SER A 57 -5.526 4.299 -5.542 1.00 0.00 C ATOM 830 C SER A 57 -4.317 5.230 -5.561 1.00 0.00 C ATOM 831 O SER A 57 -3.701 5.445 -6.605 1.00 0.00 O ATOM 832 CB SER A 57 -5.067 2.854 -5.336 1.00 0.00 C ATOM 833 OG SER A 57 -4.397 2.363 -6.484 1.00 0.00 O ATOM 0 H SER A 57 -6.261 3.586 -7.371 1.00 0.00 H new ATOM 0 HA SER A 57 -6.173 4.590 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.404 2.799 -4.473 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.928 2.223 -5.116 1.00 0.00 H new ATOM 0 HG SER A 57 -4.112 1.439 -6.326 1.00 0.00 H new ATOM 839 N THR A 58 -3.984 5.781 -4.398 1.00 0.00 N ATOM 840 CA THR A 58 -2.851 6.690 -4.279 1.00 0.00 C ATOM 841 C THR A 58 -2.062 6.421 -3.003 1.00 0.00 C ATOM 842 O THR A 58 -2.574 6.596 -1.897 1.00 0.00 O ATOM 843 CB THR A 58 -3.308 8.161 -4.287 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.235 8.391 -3.219 1.00 0.00 O ATOM 845 CG2 THR A 58 -3.957 8.519 -5.615 1.00 0.00 C ATOM 0 H THR A 58 -4.483 5.613 -3.525 1.00 0.00 H new ATOM 0 HA THR A 58 -2.210 6.512 -5.143 1.00 0.00 H new ATOM 0 HB THR A 58 -2.430 8.792 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.020 7.802 -2.466 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.271 9.562 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.240 8.370 -6.422 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.826 7.881 -5.779 1.00 0.00 H new ATOM 853 N CYS A 59 -0.813 5.997 -3.164 1.00 0.00 N ATOM 854 CA CYS A 59 0.048 5.704 -2.024 1.00 0.00 C ATOM 855 C CYS A 59 0.981 6.874 -1.732 1.00 0.00 C ATOM 856 O CYS A 59 1.772 7.276 -2.585 1.00 0.00 O ATOM 857 CB CYS A 59 0.864 4.438 -2.286 1.00 0.00 C ATOM 858 SG CYS A 59 2.145 4.116 -1.052 1.00 0.00 S ATOM 0 H CYS A 59 -0.374 5.849 -4.073 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.587 5.544 -1.153 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.188 3.584 -2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.332 4.517 -3.267 1.00 0.00 H new ATOM 0 HG CYS A 59 2.779 3.023 -1.359 1.00 0.00 H new ATOM 864 N GLU A 60 0.881 7.418 -0.523 1.00 0.00 N ATOM 865 CA GLU A 60 1.715 8.544 -0.121 1.00 0.00 C ATOM 866 C GLU A 60 2.394 8.268 1.217 1.00 0.00 C ATOM 867 O GLU A 60 1.784 7.717 2.133 1.00 0.00 O ATOM 868 CB GLU A 60 0.877 9.820 -0.026 1.00 0.00 C ATOM 869 CG GLU A 60 0.722 10.547 -1.352 1.00 0.00 C ATOM 870 CD GLU A 60 -0.507 11.434 -1.390 1.00 0.00 C ATOM 871 OE1 GLU A 60 -0.837 12.035 -0.346 1.00 0.00 O ATOM 872 OE2 GLU A 60 -1.139 11.528 -2.463 1.00 0.00 O ATOM 0 H GLU A 60 0.231 7.097 0.194 1.00 0.00 H new ATOM 0 HA GLU A 60 2.486 8.680 -0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.111 9.568 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.337 10.494 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.609 11.153 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.663 9.816 -2.158 1.00 0.00 H new ATOM 879 N ALA A 61 3.662 8.653 1.322 1.00 0.00 N ATOM 880 CA ALA A 61 4.424 8.449 2.548 1.00 0.00 C ATOM 881 C ALA A 61 4.203 7.047 3.104 1.00 0.00 C ATOM 882 O ALA A 61 4.142 6.853 4.317 1.00 0.00 O ATOM 883 CB ALA A 61 4.046 9.497 3.585 1.00 0.00 C ATOM 0 H ALA A 61 4.183 9.108 0.572 1.00 0.00 H new ATOM 0 HA ALA A 61 5.483 8.554 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.623 9.333 4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.262 10.491 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.982 9.419 3.810 1.00 0.00 H new ATOM 889 N GLY A 62 4.082 6.072 2.208 1.00 0.00 N ATOM 890 CA GLY A 62 3.868 4.700 2.630 1.00 0.00 C ATOM 891 C GLY A 62 2.452 4.455 3.112 1.00 0.00 C ATOM 892 O GLY A 62 2.220 3.613 3.979 1.00 0.00 O ATOM 0 H GLY A 62 4.128 6.208 1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.087 4.029 1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.568 4.456 3.429 1.00 0.00 H new ATOM 896 N VAL A 63 1.501 5.195 2.550 1.00 0.00 N ATOM 897 CA VAL A 63 0.100 5.055 2.928 1.00 0.00 C ATOM 898 C VAL A 63 -0.771 4.769 1.710 1.00 0.00 C ATOM 899 O VAL A 63 -1.248 5.688 1.045 1.00 0.00 O ATOM 900 CB VAL A 63 -0.421 6.323 3.631 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.873 6.145 4.045 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.448 6.659 4.834 1.00 0.00 C ATOM 0 H VAL A 63 1.676 5.897 1.831 1.00 0.00 H new ATOM 0 HA VAL A 63 0.041 4.215 3.620 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.368 7.155 2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.224 7.051 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.483 5.955 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.955 5.302 4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.066 7.557 5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.428 5.829 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.473 6.832 4.506 1.00 0.00 H new ATOM 912 N ALA A 64 -0.976 3.487 1.425 1.00 0.00 N ATOM 913 CA ALA A 64 -1.793 3.078 0.289 1.00 0.00 C ATOM 914 C ALA A 64 -3.274 3.311 0.565 1.00 0.00 C ATOM 915 O ALA A 64 -3.777 2.961 1.632 1.00 0.00 O ATOM 916 CB ALA A 64 -1.539 1.616 -0.045 1.00 0.00 C ATOM 0 H ALA A 64 -0.588 2.714 1.965 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.510 3.689 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.156 1.325 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.487 1.477 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.792 0.997 0.816 1.00 0.00 H new ATOM 922 N GLU A 65 -3.967 3.904 -0.402 1.00 0.00 N ATOM 923 CA GLU A 65 -5.391 4.184 -0.260 1.00 0.00 C ATOM 924 C GLU A 65 -6.135 3.888 -1.559 1.00 0.00 C ATOM 925 O GLU A 65 -5.578 4.013 -2.650 1.00 0.00 O ATOM 926 CB GLU A 65 -5.608 5.644 0.144 1.00 0.00 C ATOM 927 CG GLU A 65 -4.793 6.068 1.355 1.00 0.00 C ATOM 928 CD GLU A 65 -5.418 7.231 2.100 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.651 7.214 2.298 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.675 8.158 2.484 1.00 0.00 O ATOM 0 H GLU A 65 -3.566 4.200 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.787 3.536 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.353 6.287 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.666 5.800 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.689 5.221 2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.789 6.345 1.034 1.00 0.00 H new ATOM 937 N LEU A 66 -7.398 3.495 -1.433 1.00 0.00 N ATOM 938 CA LEU A 66 -8.221 3.180 -2.596 1.00 0.00 C ATOM 939 C LEU A 66 -9.603 3.813 -2.472 1.00 0.00 C ATOM 940 O LEU A 66 -10.474 3.296 -1.773 1.00 0.00 O ATOM 941 CB LEU A 66 -8.354 1.664 -2.756 1.00 0.00 C ATOM 942 CG LEU A 66 -9.299 1.187 -3.859 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.596 1.203 -5.207 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.823 -0.207 -3.545 1.00 0.00 C ATOM 0 H LEU A 66 -7.874 3.387 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.731 3.591 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.364 1.251 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.694 1.247 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.147 1.870 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.284 0.860 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.270 2.218 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.730 0.542 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.494 -0.531 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.987 -0.902 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.364 -0.188 -2.599 1.00 0.00 H new ATOM 956 N HIS A 67 -9.797 4.935 -3.158 1.00 0.00 N ATOM 957 CA HIS A 67 -11.075 5.638 -3.128 1.00 0.00 C ATOM 958 C HIS A 67 -12.119 4.903 -3.963 1.00 0.00 C ATOM 959 O HIS A 67 -11.921 4.669 -5.155 1.00 0.00 O ATOM 960 CB HIS A 67 -10.907 7.068 -3.643 1.00 0.00 C ATOM 961 CG HIS A 67 -9.907 7.870 -2.868 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.249 8.970 -2.110 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.568 7.725 -2.736 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.163 9.468 -1.547 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.129 8.731 -1.910 1.00 0.00 N ATOM 0 H HIS A 67 -9.086 5.377 -3.741 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.420 5.671 -2.094 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.602 7.035 -4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.872 7.574 -3.608 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.958 6.961 -3.195 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.127 10.332 -0.899 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.162 8.884 -1.624 1.00 0.00 H new ATOM 974 N ILE A 68 -13.230 4.543 -3.329 1.00 0.00 N ATOM 975 CA ILE A 68 -14.304 3.835 -4.014 1.00 0.00 C ATOM 976 C ILE A 68 -15.637 4.555 -3.837 1.00 0.00 C ATOM 977 O ILE A 68 -16.294 4.421 -2.805 1.00 0.00 O ATOM 978 CB ILE A 68 -14.443 2.389 -3.501 1.00 0.00 C ATOM 979 CG1 ILE A 68 -13.143 1.617 -3.731 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.608 1.693 -4.188 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.783 1.461 -5.192 1.00 0.00 C ATOM 0 H ILE A 68 -13.410 4.730 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 68 -14.042 3.813 -5.072 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.643 2.416 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.330 2.130 -3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.232 0.629 -3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.693 0.672 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.530 2.234 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.436 1.673 -5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.850 0.904 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.578 0.921 -5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.661 2.445 -5.644 1.00 0.00 H new ATOM 993 N GLN A 69 -16.030 5.318 -4.852 1.00 0.00 N ATOM 994 CA GLN A 69 -17.286 6.058 -4.809 1.00 0.00 C ATOM 995 C GLN A 69 -18.432 5.219 -5.363 1.00 0.00 C ATOM 996 O GLN A 69 -18.218 4.313 -6.169 1.00 0.00 O ATOM 997 CB GLN A 69 -17.162 7.360 -5.602 1.00 0.00 C ATOM 998 CG GLN A 69 -16.878 7.148 -7.080 1.00 0.00 C ATOM 999 CD GLN A 69 -17.033 8.418 -7.893 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -17.948 8.539 -8.708 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -16.137 9.373 -7.675 1.00 0.00 N ATOM 0 H GLN A 69 -15.497 5.440 -5.713 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.504 6.294 -3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -18.085 7.929 -5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.364 7.964 -5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.864 6.766 -7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.554 6.387 -7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.395 9.230 -6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.190 10.250 -8.193 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.648 5.526 -4.926 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.829 4.800 -5.378 1.00 0.00 C ATOM 1012 C ASP A 70 -20.747 3.329 -4.984 1.00 0.00 C ATOM 1013 O ASP A 70 -21.103 2.446 -5.764 1.00 0.00 O ATOM 1014 CB ASP A 70 -20.982 4.927 -6.895 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.379 6.326 -7.322 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -22.235 6.932 -6.644 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -20.835 6.815 -8.335 1.00 0.00 O ATOM 0 H ASP A 70 -19.842 6.273 -4.259 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.702 5.238 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.042 4.657 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.733 4.218 -7.242 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.274 3.073 -3.769 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.146 1.709 -3.271 1.00 0.00 C ATOM 1024 C ALA A 71 -21.395 0.891 -3.582 1.00 0.00 C ATOM 1025 O ALA A 71 -22.427 1.040 -2.926 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.879 1.717 -1.773 1.00 0.00 C ATOM 0 H ALA A 71 -19.973 3.792 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.302 1.242 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.786 0.692 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.954 2.258 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.706 2.207 -1.259 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.295 0.028 -4.587 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.417 -0.814 -4.987 1.00 0.00 C ATOM 1034 C LEU A 72 -22.435 -2.114 -4.188 1.00 0.00 C ATOM 1035 O LEU A 72 -21.412 -2.571 -3.677 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.341 -1.123 -6.483 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.711 0.023 -7.425 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.292 -0.301 -8.850 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.204 0.309 -7.357 1.00 0.00 C ATOM 0 H LEU A 72 -20.448 -0.107 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.339 -0.270 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.326 -1.445 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -22.999 -1.966 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.176 0.917 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.563 0.526 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.213 -0.454 -8.886 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.798 -1.208 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.449 1.127 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.759 -0.582 -7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.475 0.587 -6.339 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.624 -2.725 -4.077 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.803 -3.981 -3.344 1.00 0.00 C ATOM 1053 C PRO A 73 -23.151 -5.164 -4.053 1.00 0.00 C ATOM 1054 O PRO A 73 -22.909 -6.206 -3.445 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.323 -4.155 -3.303 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.823 -3.398 -4.486 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.885 -2.236 -4.660 1.00 0.00 C ATOM 0 HA PRO A 73 -23.337 -3.947 -2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.603 -5.207 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.742 -3.763 -2.376 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.834 -4.027 -5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.845 -3.054 -4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.766 -1.970 -5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.247 -1.346 -4.145 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.870 -4.994 -5.341 1.00 0.00 N ATOM 1066 CA GLU A 74 -22.246 -6.049 -6.132 1.00 0.00 C ATOM 1067 C GLU A 74 -20.729 -5.884 -6.157 1.00 0.00 C ATOM 1068 O GLU A 74 -20.009 -6.742 -6.669 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.795 -6.039 -7.560 1.00 0.00 C ATOM 1070 CG GLU A 74 -22.520 -4.745 -8.308 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.671 -4.897 -9.810 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -23.815 -5.076 -10.277 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -21.643 -4.837 -10.517 1.00 0.00 O ATOM 0 H GLU A 74 -23.064 -4.137 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.483 -7.006 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.358 -6.869 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.871 -6.209 -7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.203 -3.973 -7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.509 -4.406 -8.080 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.250 -4.776 -5.602 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.819 -4.499 -5.560 1.00 0.00 C ATOM 1082 C ASP A 75 -18.176 -5.145 -4.337 1.00 0.00 C ATOM 1083 O ASP A 75 -17.026 -5.582 -4.385 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.571 -2.990 -5.545 1.00 0.00 C ATOM 1085 CG ASP A 75 -17.101 -2.646 -5.403 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -16.365 -2.769 -6.404 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -16.688 -2.255 -4.291 1.00 0.00 O ATOM 0 H ASP A 75 -20.832 -4.055 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.365 -4.925 -6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.956 -2.552 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -19.127 -2.541 -4.722 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.926 -5.201 -3.241 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.428 -5.794 -2.004 1.00 0.00 C ATOM 1094 C HIS A 76 -17.744 -7.130 -2.278 1.00 0.00 C ATOM 1095 O HIS A 76 -18.197 -7.910 -3.115 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.574 -5.989 -1.010 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.259 -7.314 -1.139 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.705 -7.818 -2.343 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.573 -8.243 -0.205 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -21.265 -8.997 -2.144 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -21.197 -9.279 -0.855 1.00 0.00 N ATOM 0 H HIS A 76 -19.880 -4.844 -3.184 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.695 -5.112 -1.573 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.186 -5.887 0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.307 -5.195 -1.153 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.370 -8.181 0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.704 -9.624 -2.906 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.551 -10.128 -0.414 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.650 -7.386 -1.568 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.921 -8.627 -1.750 1.00 0.00 C ATOM 1112 C GLY A 77 -14.686 -8.709 -0.874 1.00 0.00 C ATOM 1113 O GLY A 77 -14.763 -8.516 0.340 1.00 0.00 O ATOM 0 H GLY A 77 -16.255 -6.756 -0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.578 -9.467 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.628 -8.722 -2.796 1.00 0.00 H new ATOM 1117 N THR A 78 -13.544 -8.997 -1.489 1.00 0.00 N ATOM 1118 CA THR A 78 -12.288 -9.107 -0.757 1.00 0.00 C ATOM 1119 C THR A 78 -11.169 -8.355 -1.469 1.00 0.00 C ATOM 1120 O THR A 78 -10.584 -8.857 -2.430 1.00 0.00 O ATOM 1121 CB THR A 78 -11.869 -10.578 -0.578 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.857 -11.279 0.187 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.519 -10.676 0.116 1.00 0.00 C ATOM 0 H THR A 78 -13.462 -9.158 -2.493 1.00 0.00 H new ATOM 0 HA THR A 78 -12.454 -8.662 0.224 1.00 0.00 H new ATOM 0 HB THR A 78 -11.785 -11.032 -1.566 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.261 -10.668 0.838 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.244 -11.725 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.764 -10.167 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.580 -10.207 1.098 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.876 -7.151 -0.993 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.827 -6.329 -1.585 1.00 0.00 C ATOM 1133 C TYR A 79 -8.446 -6.814 -1.155 1.00 0.00 C ATOM 1134 O TYR A 79 -8.156 -6.924 0.036 1.00 0.00 O ATOM 1135 CB TYR A 79 -10.012 -4.864 -1.187 1.00 0.00 C ATOM 1136 CG TYR A 79 -11.065 -4.144 -1.999 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.415 -4.287 -1.706 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.709 -3.319 -3.059 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.380 -3.632 -2.446 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -11.667 -2.658 -3.803 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.001 -2.818 -3.493 1.00 0.00 C ATOM 1142 OH TYR A 79 -13.960 -2.162 -4.231 1.00 0.00 O ATOM 0 H TYR A 79 -11.350 -6.722 -0.198 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.901 -6.416 -2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.282 -4.814 -0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.061 -4.343 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.716 -4.921 -0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.665 -3.192 -3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.426 -3.757 -2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.373 -2.020 -4.623 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.848 -2.495 -3.983 1.00 0.00 H new ATOM 1152 N THR A 80 -7.596 -7.104 -2.136 1.00 0.00 N ATOM 1153 CA THR A 80 -6.246 -7.578 -1.861 1.00 0.00 C ATOM 1154 C THR A 80 -5.202 -6.588 -2.365 1.00 0.00 C ATOM 1155 O THR A 80 -5.175 -6.250 -3.549 1.00 0.00 O ATOM 1156 CB THR A 80 -5.989 -8.952 -2.510 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.986 -9.888 -2.085 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.608 -9.473 -2.146 1.00 0.00 C ATOM 0 H THR A 80 -7.819 -7.019 -3.128 1.00 0.00 H new ATOM 0 HA THR A 80 -6.160 -7.674 -0.779 1.00 0.00 H new ATOM 0 HB THR A 80 -6.040 -8.834 -3.592 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.817 -10.758 -2.503 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.450 -10.444 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.851 -8.772 -2.497 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.532 -9.577 -1.064 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.345 -6.128 -1.460 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.299 -5.175 -1.814 1.00 0.00 C ATOM 1168 C CYS A 81 -1.931 -5.850 -1.828 1.00 0.00 C ATOM 1169 O CYS A 81 -1.358 -6.139 -0.777 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.293 -4.004 -0.830 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.297 -2.594 -1.368 1.00 0.00 S ATOM 0 H CYS A 81 -4.354 -6.399 -0.477 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.509 -4.798 -2.815 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.319 -3.671 -0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.919 -4.354 0.132 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.078 -1.660 -1.824 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.414 -6.100 -3.026 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.113 -6.744 -3.178 1.00 0.00 C ATOM 1179 C LEU A 82 1.007 -5.709 -3.201 1.00 0.00 C ATOM 1180 O LEU A 82 0.976 -4.764 -3.989 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.081 -7.576 -4.461 1.00 0.00 C ATOM 1182 CG LEU A 82 1.304 -7.850 -5.049 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.164 -8.615 -4.055 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.186 -8.618 -6.357 1.00 0.00 C ATOM 0 H LEU A 82 -1.875 -5.867 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 82 0.042 -7.401 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.565 -8.532 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.680 -7.066 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 82 1.786 -6.894 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.146 -8.801 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.277 -8.028 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.687 -9.566 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.181 -8.804 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.684 -9.569 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.608 -8.032 -7.072 1.00 0.00 H new ATOM 1196 N ALA A 83 1.996 -5.895 -2.334 1.00 0.00 N ATOM 1197 CA ALA A 83 3.128 -4.980 -2.258 1.00 0.00 C ATOM 1198 C ALA A 83 4.451 -5.740 -2.284 1.00 0.00 C ATOM 1199 O ALA A 83 4.871 -6.306 -1.276 1.00 0.00 O ATOM 1200 CB ALA A 83 3.033 -4.126 -1.002 1.00 0.00 C ATOM 0 H ALA A 83 2.036 -6.672 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 83 3.096 -4.328 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.885 -3.447 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.109 -3.548 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.037 -4.770 -0.123 1.00 0.00 H new ATOM 1206 N GLU A 84 5.101 -5.747 -3.443 1.00 0.00 N ATOM 1207 CA GLU A 84 6.375 -6.439 -3.600 1.00 0.00 C ATOM 1208 C GLU A 84 7.395 -5.548 -4.304 1.00 0.00 C ATOM 1209 O GLU A 84 7.044 -4.757 -5.179 1.00 0.00 O ATOM 1210 CB GLU A 84 6.183 -7.735 -4.389 1.00 0.00 C ATOM 1211 CG GLU A 84 5.906 -7.514 -5.866 1.00 0.00 C ATOM 1212 CD GLU A 84 5.802 -8.812 -6.642 1.00 0.00 C ATOM 1213 OE1 GLU A 84 6.732 -9.640 -6.542 1.00 0.00 O ATOM 1214 OE2 GLU A 84 4.790 -9.001 -7.349 1.00 0.00 O ATOM 0 H GLU A 84 4.767 -5.282 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 84 6.753 -6.680 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.077 -8.350 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.357 -8.296 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.978 -6.953 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.701 -6.903 -6.293 1.00 0.00 H new ATOM 1221 N ASN A 85 8.658 -5.683 -3.914 1.00 0.00 N ATOM 1222 CA ASN A 85 9.729 -4.891 -4.507 1.00 0.00 C ATOM 1223 C ASN A 85 10.879 -5.784 -4.964 1.00 0.00 C ATOM 1224 O ASN A 85 10.798 -7.009 -4.876 1.00 0.00 O ATOM 1225 CB ASN A 85 10.242 -3.856 -3.503 1.00 0.00 C ATOM 1226 CG ASN A 85 10.998 -4.492 -2.352 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.337 -5.674 -2.396 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.265 -3.707 -1.315 1.00 0.00 N ATOM 0 H ASN A 85 8.965 -6.333 -3.190 1.00 0.00 H new ATOM 0 HA ASN A 85 9.325 -4.375 -5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.894 -3.149 -4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.400 -3.286 -3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.771 -4.079 -0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.964 -2.732 -1.322 1.00 0.00 H new ATOM 1235 N ALA A 86 11.947 -5.162 -5.451 1.00 0.00 N ATOM 1236 CA ALA A 86 13.113 -5.900 -5.919 1.00 0.00 C ATOM 1237 C ALA A 86 13.743 -6.706 -4.788 1.00 0.00 C ATOM 1238 O ALA A 86 14.507 -7.642 -5.029 1.00 0.00 O ATOM 1239 CB ALA A 86 14.134 -4.947 -6.522 1.00 0.00 C ATOM 0 H ALA A 86 12.029 -4.149 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 86 12.785 -6.598 -6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.000 -5.512 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.686 -4.419 -7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.449 -4.226 -5.767 1.00 0.00 H new ATOM 1245 N LEU A 87 13.419 -6.338 -3.554 1.00 0.00 N ATOM 1246 CA LEU A 87 13.954 -7.027 -2.384 1.00 0.00 C ATOM 1247 C LEU A 87 13.075 -8.213 -2.002 1.00 0.00 C ATOM 1248 O LEU A 87 13.427 -9.365 -2.250 1.00 0.00 O ATOM 1249 CB LEU A 87 14.066 -6.059 -1.205 1.00 0.00 C ATOM 1250 CG LEU A 87 15.232 -5.070 -1.256 1.00 0.00 C ATOM 1251 CD1 LEU A 87 14.931 -3.941 -2.229 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.524 -4.518 0.131 1.00 0.00 C ATOM 0 H LEU A 87 12.788 -5.566 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 87 14.947 -7.400 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.138 -5.492 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 87 14.151 -6.643 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 87 16.118 -5.599 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.771 -3.247 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.772 -4.352 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.033 -3.413 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.356 -3.816 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.641 -4.004 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.784 -5.337 0.801 1.00 0.00 H new ATOM 1264 N GLY A 88 11.927 -7.922 -1.397 1.00 0.00 N ATOM 1265 CA GLY A 88 11.015 -8.975 -0.991 1.00 0.00 C ATOM 1266 C GLY A 88 9.656 -8.850 -1.651 1.00 0.00 C ATOM 1267 O GLY A 88 9.492 -8.094 -2.609 1.00 0.00 O ATOM 0 H GLY A 88 11.613 -6.976 -1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.449 -9.943 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.894 -8.949 0.092 1.00 0.00 H new ATOM 1271 N GLN A 89 8.680 -9.593 -1.139 1.00 0.00 N ATOM 1272 CA GLN A 89 7.329 -9.563 -1.688 1.00 0.00 C ATOM 1273 C GLN A 89 6.307 -9.987 -0.639 1.00 0.00 C ATOM 1274 O GLN A 89 6.430 -11.050 -0.030 1.00 0.00 O ATOM 1275 CB GLN A 89 7.232 -10.477 -2.911 1.00 0.00 C ATOM 1276 CG GLN A 89 7.073 -11.947 -2.560 1.00 0.00 C ATOM 1277 CD GLN A 89 5.621 -12.356 -2.404 1.00 0.00 C ATOM 1278 OE1 GLN A 89 5.211 -12.842 -1.350 1.00 0.00 O ATOM 1279 NE2 GLN A 89 4.834 -12.160 -3.456 1.00 0.00 N ATOM 0 H GLN A 89 8.799 -10.223 -0.345 1.00 0.00 H new ATOM 0 HA GLN A 89 7.109 -8.539 -1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.385 -10.164 -3.522 1.00 0.00 H new ATOM 0 HB3 GLN A 89 8.128 -10.352 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.536 -12.554 -3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.607 -12.155 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.216 -11.754 -4.310 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.848 -12.415 -3.410 1.00 0.00 H new ATOM 1288 N VAL A 90 5.296 -9.148 -0.432 1.00 0.00 N ATOM 1289 CA VAL A 90 4.251 -9.437 0.543 1.00 0.00 C ATOM 1290 C VAL A 90 2.870 -9.126 -0.023 1.00 0.00 C ATOM 1291 O VAL A 90 2.741 -8.398 -1.007 1.00 0.00 O ATOM 1292 CB VAL A 90 4.455 -8.630 1.839 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.868 -8.819 2.370 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.158 -7.157 1.602 1.00 0.00 C ATOM 0 H VAL A 90 5.179 -8.263 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 90 4.316 -10.501 0.771 1.00 0.00 H new ATOM 0 HB VAL A 90 3.758 -9.001 2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.993 -8.241 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.039 -9.875 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.586 -8.477 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.307 -6.602 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.828 -6.770 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.125 -7.042 1.273 1.00 0.00 H new ATOM 1304 N SER A 91 1.840 -9.684 0.605 1.00 0.00 N ATOM 1305 CA SER A 91 0.467 -9.470 0.161 1.00 0.00 C ATOM 1306 C SER A 91 -0.497 -9.508 1.342 1.00 0.00 C ATOM 1307 O SER A 91 -0.275 -10.228 2.317 1.00 0.00 O ATOM 1308 CB SER A 91 0.071 -10.529 -0.870 1.00 0.00 C ATOM 1309 OG SER A 91 -0.265 -11.753 -0.240 1.00 0.00 O ATOM 0 H SER A 91 1.930 -10.287 1.422 1.00 0.00 H new ATOM 0 HA SER A 91 0.410 -8.484 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.777 -10.173 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.894 -10.689 -1.567 1.00 0.00 H new ATOM 0 HG SER A 91 -0.516 -12.413 -0.920 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.568 -8.728 1.248 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.568 -8.670 2.309 1.00 0.00 C ATOM 1317 C CYS A 92 -3.974 -8.572 1.726 1.00 0.00 C ATOM 1318 O CYS A 92 -4.188 -7.926 0.700 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.299 -7.478 3.228 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.667 -5.873 2.481 1.00 0.00 S ATOM 0 H CYS A 92 -1.767 -8.127 0.448 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.499 -9.589 2.890 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -2.894 -7.590 4.134 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.252 -7.495 3.530 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.556 -5.273 2.172 1.00 0.00 H new ATOM 1326 N SER A 93 -4.929 -9.218 2.387 1.00 0.00 N ATOM 1327 CA SER A 93 -6.315 -9.209 1.931 1.00 0.00 C ATOM 1328 C SER A 93 -7.212 -8.495 2.938 1.00 0.00 C ATOM 1329 O SER A 93 -6.888 -8.407 4.121 1.00 0.00 O ATOM 1330 CB SER A 93 -6.811 -10.639 1.711 1.00 0.00 C ATOM 1331 OG SER A 93 -6.731 -11.396 2.906 1.00 0.00 O ATOM 0 H SER A 93 -4.769 -9.754 3.240 1.00 0.00 H new ATOM 0 HA SER A 93 -6.358 -8.669 0.985 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.842 -10.619 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.216 -11.118 0.933 1.00 0.00 H new ATOM 0 HG SER A 93 -7.055 -12.306 2.739 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.343 -7.988 2.457 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.289 -7.285 3.314 1.00 0.00 C ATOM 1339 C ALA A 94 -10.728 -7.585 2.906 1.00 0.00 C ATOM 1340 O ALA A 94 -10.998 -7.923 1.754 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.028 -5.786 3.270 1.00 0.00 C ATOM 0 H ALA A 94 -8.626 -8.051 1.479 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.147 -7.638 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.742 -5.273 3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.015 -5.583 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.140 -5.427 2.247 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.645 -7.461 3.858 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.057 -7.721 3.597 1.00 0.00 C ATOM 1349 C TRP A 95 -13.878 -6.442 3.723 1.00 0.00 C ATOM 1350 O TRP A 95 -13.825 -5.758 4.745 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.589 -8.781 4.563 1.00 0.00 C ATOM 1352 CG TRP A 95 -14.973 -9.248 4.229 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.147 -8.748 4.716 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.327 -10.309 3.336 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.209 -9.434 4.180 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.733 -10.397 3.329 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -14.594 -11.193 2.539 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.417 -11.333 2.559 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.274 -12.122 1.775 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -16.674 -12.186 1.788 1.00 0.00 C ATOM 0 H TRP A 95 -11.437 -7.182 4.817 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.150 -8.091 2.576 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -12.914 -9.637 4.560 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.584 -8.375 5.575 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.228 -7.933 5.420 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.193 -9.256 4.382 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.515 -11.151 2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.496 -11.385 2.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -14.717 -12.811 1.157 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.176 -12.922 1.178 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.637 -6.126 2.679 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.470 -4.929 2.675 1.00 0.00 C ATOM 1373 C VAL A 96 -16.949 -5.291 2.601 1.00 0.00 C ATOM 1374 O VAL A 96 -17.341 -6.211 1.882 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.119 -4.005 1.493 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -15.940 -2.726 1.554 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.630 -3.693 1.486 1.00 0.00 C ATOM 0 H VAL A 96 -14.692 -6.682 1.825 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.273 -4.402 3.609 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.363 -4.521 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.679 -2.086 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -17.001 -2.972 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.729 -2.203 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.399 -3.039 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.358 -3.196 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -13.064 -4.620 1.391 1.00 0.00 H new ATOM 1387 N THR A 97 -17.770 -4.560 3.349 1.00 0.00 N ATOM 1388 CA THR A 97 -19.206 -4.803 3.370 1.00 0.00 C ATOM 1389 C THR A 97 -19.980 -3.565 2.931 1.00 0.00 C ATOM 1390 O THR A 97 -19.628 -2.441 3.290 1.00 0.00 O ATOM 1391 CB THR A 97 -19.685 -5.222 4.773 1.00 0.00 C ATOM 1392 OG1 THR A 97 -18.910 -4.555 5.775 1.00 0.00 O ATOM 1393 CG2 THR A 97 -19.571 -6.728 4.955 1.00 0.00 C ATOM 0 H THR A 97 -17.464 -3.794 3.949 1.00 0.00 H new ATOM 0 HA THR A 97 -19.398 -5.616 2.670 1.00 0.00 H new ATOM 0 HB THR A 97 -20.732 -4.937 4.876 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.222 -4.826 6.664 1.00 0.00 H new ATOM 0 HG21 THR A 97 -19.915 -7.001 5.953 1.00 0.00 H new ATOM 0 HG22 THR A 97 -20.185 -7.232 4.209 1.00 0.00 H new ATOM 0 HG23 THR A 97 -18.531 -7.031 4.834 1.00 0.00 H new ATOM 1401 N VAL A 98 -21.036 -3.778 2.152 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.861 -2.679 1.665 1.00 0.00 C ATOM 1403 C VAL A 98 -23.311 -2.843 2.106 1.00 0.00 C ATOM 1404 O VAL A 98 -24.056 -3.645 1.541 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.811 -2.577 0.129 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.669 -1.419 -0.358 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.374 -2.424 -0.348 1.00 0.00 C ATOM 0 H VAL A 98 -21.340 -4.702 1.845 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.455 -1.764 2.095 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.214 -3.498 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.621 -1.363 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.702 -1.576 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -22.299 -0.487 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.357 -2.353 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.943 -1.520 0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.792 -3.289 -0.032 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.707 -2.078 3.118 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.070 -2.137 3.634 1.00 0.00 C ATOM 1419 C HIS A 99 -26.085 -2.035 2.500 1.00 0.00 C ATOM 1420 O HIS A 99 -25.885 -1.290 1.540 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.304 -1.016 4.647 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.320 -1.013 5.776 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.204 -2.052 6.676 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.401 -0.091 6.147 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.258 -1.768 7.553 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -22.755 -0.584 7.254 1.00 0.00 N ATOM 0 H HIS A 99 -23.103 -1.410 3.597 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.203 -3.098 4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.256 -0.057 4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.311 -1.110 5.054 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -24.762 -2.906 6.666 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.211 0.856 5.663 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -22.949 -2.397 8.375 1.00 0.00 H new