USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 590 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 Set 1.1: A 80 THR OG1 : rot 180:sc= -0.0225 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -0.0471 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00735 USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 33 ASN : amide:sc= -1.58 K(o=-1.6,f=-8.4!) USER MOD Single : A 43 LYS NZ :NH3+ -139:sc= -0.161 (180deg=-0.229) USER MOD Single : A 62 SER OG : rot 180:sc= 0.474 USER MOD Single : A 65 HIS : no HE2:sc= -6.44! C(o=-6.4!,f=-11!) USER MOD Single : A 68 SER OG : rot 140:sc= -1.02 USER MOD Single : A 71 SER OG : rot -44:sc= 0.203 USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 3.461 -9.725 -3.779 1.00 0.00 N ATOM 64 CA HIS A 3 2.640 -9.056 -4.836 1.00 0.00 C ATOM 65 C HIS A 3 2.737 -7.537 -4.678 1.00 0.00 C ATOM 66 O HIS A 3 1.749 -6.833 -4.742 1.00 0.00 O ATOM 67 CB HIS A 3 1.173 -9.485 -4.722 1.00 0.00 C ATOM 68 CG HIS A 3 1.101 -10.934 -4.321 1.00 0.00 C ATOM 69 ND1 HIS A 3 1.473 -11.958 -5.182 1.00 0.00 N ATOM 70 CD2 HIS A 3 0.702 -11.546 -3.159 1.00 0.00 C ATOM 71 CE1 HIS A 3 1.292 -13.122 -4.529 1.00 0.00 C ATOM 72 NE2 HIS A 3 0.825 -12.924 -3.295 1.00 0.00 N ATOM 0 HA HIS A 3 3.022 -9.350 -5.814 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.659 -8.867 -3.985 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.665 -9.335 -5.674 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.347 -11.036 -2.276 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.499 -14.094 -4.951 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.604 -13.635 -2.598 1.00 0.00 H new ATOM 81 N ALA A 4 3.920 -7.026 -4.475 1.00 0.00 N ATOM 82 CA ALA A 4 4.076 -5.552 -4.317 1.00 0.00 C ATOM 83 C ALA A 4 3.607 -4.852 -5.595 1.00 0.00 C ATOM 84 O ALA A 4 2.967 -3.819 -5.551 1.00 0.00 O ATOM 85 CB ALA A 4 5.548 -5.219 -4.072 1.00 0.00 C ATOM 0 H ALA A 4 4.784 -7.564 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 4 3.478 -5.212 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.663 -4.141 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.888 -5.720 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.144 -5.559 -4.919 1.00 0.00 H new ATOM 91 N SER A 5 3.920 -5.407 -6.734 1.00 0.00 N ATOM 92 CA SER A 5 3.494 -4.772 -8.012 1.00 0.00 C ATOM 93 C SER A 5 1.968 -4.751 -8.092 1.00 0.00 C ATOM 94 O SER A 5 1.379 -3.835 -8.628 1.00 0.00 O ATOM 95 CB SER A 5 4.054 -5.572 -9.189 1.00 0.00 C ATOM 96 OG SER A 5 3.419 -6.843 -9.237 1.00 0.00 O ATOM 0 H SER A 5 4.452 -6.272 -6.834 1.00 0.00 H new ATOM 0 HA SER A 5 3.872 -3.750 -8.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.887 -5.034 -10.122 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.132 -5.695 -9.080 1.00 0.00 H new ATOM 0 HG SER A 5 3.774 -7.358 -9.991 1.00 0.00 H new ATOM 102 N VAL A 6 1.320 -5.750 -7.559 1.00 0.00 N ATOM 103 CA VAL A 6 -0.168 -5.779 -7.604 1.00 0.00 C ATOM 104 C VAL A 6 -0.723 -4.580 -6.836 1.00 0.00 C ATOM 105 O VAL A 6 -1.621 -3.895 -7.288 1.00 0.00 O ATOM 106 CB VAL A 6 -0.669 -7.073 -6.967 1.00 0.00 C ATOM 107 CG1 VAL A 6 -2.184 -6.998 -6.778 1.00 0.00 C ATOM 108 CG2 VAL A 6 -0.328 -8.255 -7.878 1.00 0.00 C ATOM 0 H VAL A 6 1.757 -6.546 -7.095 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.504 -5.732 -8.640 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.189 -7.209 -5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.540 -7.922 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.429 -6.157 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.665 -6.861 -7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.685 -9.179 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.808 -8.118 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.752 -8.311 -8.013 1.00 0.00 H new ATOM 118 N ILE A 7 -0.184 -4.315 -5.680 1.00 0.00 N ATOM 119 CA ILE A 7 -0.664 -3.156 -4.880 1.00 0.00 C ATOM 120 C ILE A 7 -0.460 -1.877 -5.689 1.00 0.00 C ATOM 121 O ILE A 7 -1.300 -0.995 -5.711 1.00 0.00 O ATOM 122 CB ILE A 7 0.148 -3.069 -3.589 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.011 -4.372 -2.801 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.353 -1.897 -2.745 1.00 0.00 C ATOM 125 CD1 ILE A 7 1.028 -4.420 -1.680 1.00 0.00 C ATOM 0 H ILE A 7 0.571 -4.853 -5.254 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.721 -3.280 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 7 1.200 -2.915 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.016 -4.436 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.114 -5.228 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.228 -1.837 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.240 -0.970 -3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.405 -2.048 -2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.915 -5.348 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.029 -4.375 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.882 -3.571 -1.012 1.00 0.00 H new ATOM 137 N ALA A 8 0.656 -1.774 -6.357 1.00 0.00 N ATOM 138 CA ALA A 8 0.930 -0.559 -7.167 1.00 0.00 C ATOM 139 C ALA A 8 -0.141 -0.414 -8.251 1.00 0.00 C ATOM 140 O ALA A 8 -0.585 0.675 -8.555 1.00 0.00 O ATOM 141 CB ALA A 8 2.308 -0.693 -7.819 1.00 0.00 C ATOM 0 H ALA A 8 1.390 -2.482 -6.375 1.00 0.00 H new ATOM 0 HA ALA A 8 0.912 0.323 -6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.516 0.195 -8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.068 -0.797 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.322 -1.573 -8.462 1.00 0.00 H new ATOM 147 N GLN A 9 -0.559 -1.502 -8.840 1.00 0.00 N ATOM 148 CA GLN A 9 -1.599 -1.416 -9.906 1.00 0.00 C ATOM 149 C GLN A 9 -2.907 -0.879 -9.322 1.00 0.00 C ATOM 150 O GLN A 9 -3.590 -0.086 -9.937 1.00 0.00 O ATOM 151 CB GLN A 9 -1.848 -2.807 -10.493 1.00 0.00 C ATOM 152 CG GLN A 9 -0.599 -3.284 -11.236 1.00 0.00 C ATOM 153 CD GLN A 9 -0.876 -4.645 -11.875 1.00 0.00 C ATOM 154 OE1 GLN A 9 -0.548 -5.732 -11.234 1.00 0.00 O flip ATOM 155 NE2 GLN A 9 -1.401 -4.720 -12.969 1.00 0.00 N flip ATOM 0 H GLN A 9 -0.227 -2.443 -8.630 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.248 -0.741 -10.687 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.100 -3.508 -9.697 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.699 -2.778 -11.174 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.320 -2.561 -12.002 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.242 -3.358 -10.546 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.658 -3.870 -13.471 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.585 -5.633 -13.385 1.00 0.00 H new ATOM 164 N PHE A 10 -3.272 -1.310 -8.147 1.00 0.00 N ATOM 165 CA PHE A 10 -4.549 -0.820 -7.551 1.00 0.00 C ATOM 166 C PHE A 10 -4.497 0.690 -7.335 1.00 0.00 C ATOM 167 O PHE A 10 -5.394 1.408 -7.730 1.00 0.00 O ATOM 168 CB PHE A 10 -4.797 -1.512 -6.209 1.00 0.00 C ATOM 169 CG PHE A 10 -5.401 -2.875 -6.440 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.758 -2.989 -6.767 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.614 -4.025 -6.313 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.327 -4.250 -6.967 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.183 -5.288 -6.516 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.540 -5.400 -6.842 1.00 0.00 C ATOM 0 H PHE A 10 -2.748 -1.974 -7.577 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.360 -1.053 -8.241 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.860 -1.608 -5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.465 -0.907 -5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.366 -2.101 -6.865 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.568 -3.938 -6.058 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.374 -4.337 -7.218 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.575 -6.176 -6.421 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.979 -6.374 -6.997 1.00 0.00 H new ATOM 184 N VAL A 11 -3.466 1.185 -6.716 1.00 0.00 N ATOM 185 CA VAL A 11 -3.390 2.653 -6.489 1.00 0.00 C ATOM 186 C VAL A 11 -3.248 3.363 -7.836 1.00 0.00 C ATOM 187 O VAL A 11 -3.869 4.377 -8.082 1.00 0.00 O ATOM 188 CB VAL A 11 -2.186 2.972 -5.603 1.00 0.00 C ATOM 189 CG1 VAL A 11 -2.404 2.375 -4.211 1.00 0.00 C ATOM 190 CG2 VAL A 11 -0.926 2.366 -6.219 1.00 0.00 C ATOM 0 H VAL A 11 -2.679 0.643 -6.360 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.298 2.997 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.071 4.053 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.545 2.602 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.304 2.803 -3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.518 1.294 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.067 2.593 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.043 1.285 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.768 2.787 -7.212 1.00 0.00 H new ATOM 200 N VAL A 12 -2.444 2.832 -8.716 1.00 0.00 N ATOM 201 CA VAL A 12 -2.275 3.472 -10.050 1.00 0.00 C ATOM 202 C VAL A 12 -3.606 3.433 -10.808 1.00 0.00 C ATOM 203 O VAL A 12 -4.025 4.409 -11.398 1.00 0.00 O ATOM 204 CB VAL A 12 -1.205 2.717 -10.841 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.145 3.246 -12.275 1.00 0.00 C ATOM 206 CG2 VAL A 12 0.158 2.922 -10.176 1.00 0.00 C ATOM 0 H VAL A 12 -1.898 1.983 -8.569 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.966 4.509 -9.923 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.456 1.656 -10.856 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.381 2.703 -12.831 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.113 3.105 -12.756 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.898 4.308 -12.261 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.922 2.385 -10.738 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.399 3.985 -10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.125 2.543 -9.155 1.00 0.00 H new ATOM 216 N GLU A 13 -4.275 2.309 -10.796 1.00 0.00 N ATOM 217 CA GLU A 13 -5.576 2.202 -11.514 1.00 0.00 C ATOM 218 C GLU A 13 -6.659 2.982 -10.770 1.00 0.00 C ATOM 219 O GLU A 13 -7.659 3.372 -11.338 1.00 0.00 O ATOM 220 CB GLU A 13 -5.978 0.734 -11.607 1.00 0.00 C ATOM 221 CG GLU A 13 -5.033 0.009 -12.562 1.00 0.00 C ATOM 222 CD GLU A 13 -5.472 -1.448 -12.710 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.353 -1.859 -11.972 1.00 0.00 O ATOM 224 OE2 GLU A 13 -4.921 -2.130 -13.559 1.00 0.00 O ATOM 0 H GLU A 13 -3.974 1.460 -10.318 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.467 2.621 -12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.941 0.272 -10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.006 0.649 -11.960 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.035 0.501 -13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.012 0.055 -12.184 1.00 0.00 H new ATOM 231 N GLU A 14 -6.477 3.193 -9.500 1.00 0.00 N ATOM 232 CA GLU A 14 -7.507 3.927 -8.711 1.00 0.00 C ATOM 233 C GLU A 14 -7.641 5.367 -9.214 1.00 0.00 C ATOM 234 O GLU A 14 -8.698 5.960 -9.123 1.00 0.00 O ATOM 235 CB GLU A 14 -7.103 3.940 -7.235 1.00 0.00 C ATOM 236 CG GLU A 14 -8.240 4.533 -6.399 1.00 0.00 C ATOM 237 CD GLU A 14 -7.794 4.649 -4.940 1.00 0.00 C ATOM 238 OE1 GLU A 14 -6.659 4.299 -4.659 1.00 0.00 O ATOM 239 OE2 GLU A 14 -8.593 5.084 -4.129 1.00 0.00 O ATOM 0 H GLU A 14 -5.659 2.890 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.466 3.422 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.881 2.927 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.194 4.527 -7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.516 5.514 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.126 3.902 -6.471 1.00 0.00 H new ATOM 246 N PHE A 15 -6.587 5.944 -9.730 1.00 0.00 N ATOM 247 CA PHE A 15 -6.686 7.353 -10.216 1.00 0.00 C ATOM 248 C PHE A 15 -5.943 7.526 -11.545 1.00 0.00 C ATOM 249 O PHE A 15 -6.420 8.194 -12.440 1.00 0.00 O ATOM 250 CB PHE A 15 -6.083 8.290 -9.166 1.00 0.00 C ATOM 251 CG PHE A 15 -6.325 9.725 -9.570 1.00 0.00 C ATOM 252 CD1 PHE A 15 -7.588 10.301 -9.384 1.00 0.00 C ATOM 253 CD2 PHE A 15 -5.289 10.478 -10.134 1.00 0.00 C ATOM 254 CE1 PHE A 15 -7.814 11.631 -9.760 1.00 0.00 C ATOM 255 CE2 PHE A 15 -5.514 11.808 -10.511 1.00 0.00 C ATOM 256 CZ PHE A 15 -6.777 12.384 -10.324 1.00 0.00 C ATOM 0 H PHE A 15 -5.671 5.507 -9.835 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.737 7.596 -10.376 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.530 8.096 -8.191 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.013 8.104 -9.069 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.388 9.719 -8.950 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.315 10.033 -10.279 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.788 12.076 -9.615 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.714 12.389 -10.946 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.951 13.409 -10.615 1.00 0.00 H new ATOM 266 N LEU A 16 -4.776 6.950 -11.680 1.00 0.00 N ATOM 267 CA LEU A 16 -4.008 7.108 -12.950 1.00 0.00 C ATOM 268 C LEU A 16 -3.760 5.741 -13.598 1.00 0.00 C ATOM 269 O LEU A 16 -2.688 5.183 -13.482 1.00 0.00 O ATOM 270 CB LEU A 16 -2.663 7.759 -12.634 1.00 0.00 C ATOM 271 CG LEU A 16 -2.785 9.275 -12.792 1.00 0.00 C ATOM 272 CD1 LEU A 16 -1.692 9.965 -11.975 1.00 0.00 C ATOM 273 CD2 LEU A 16 -2.629 9.648 -14.268 1.00 0.00 C ATOM 0 H LEU A 16 -4.323 6.378 -10.967 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.581 7.728 -13.639 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.356 7.511 -11.618 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.893 7.373 -13.302 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.763 9.598 -12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.780 11.045 -12.089 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.802 9.700 -10.923 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.713 9.642 -12.330 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.716 10.729 -14.381 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.651 9.323 -14.624 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.409 9.158 -14.851 1.00 0.00 H new ATOM 285 N PRO A 17 -4.738 5.209 -14.287 1.00 0.00 N ATOM 286 CA PRO A 17 -4.607 3.891 -14.970 1.00 0.00 C ATOM 287 C PRO A 17 -3.754 3.976 -16.240 1.00 0.00 C ATOM 288 O PRO A 17 -3.328 2.975 -16.781 1.00 0.00 O ATOM 289 CB PRO A 17 -6.046 3.505 -15.314 1.00 0.00 C ATOM 290 CG PRO A 17 -6.816 4.784 -15.357 1.00 0.00 C ATOM 291 CD PRO A 17 -6.072 5.801 -14.489 1.00 0.00 C ATOM 0 HA PRO A 17 -4.105 3.160 -14.337 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.093 2.989 -16.273 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.457 2.827 -14.566 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.902 5.145 -16.382 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.830 4.633 -14.986 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.005 6.770 -14.983 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.583 5.961 -13.540 1.00 0.00 H new ATOM 299 N ASP A 18 -3.506 5.163 -16.722 1.00 0.00 N ATOM 300 CA ASP A 18 -2.690 5.313 -17.957 1.00 0.00 C ATOM 301 C ASP A 18 -1.212 5.480 -17.590 1.00 0.00 C ATOM 302 O ASP A 18 -0.388 5.780 -18.432 1.00 0.00 O ATOM 303 CB ASP A 18 -3.165 6.545 -18.721 1.00 0.00 C ATOM 304 CG ASP A 18 -4.574 6.300 -19.263 1.00 0.00 C ATOM 305 OD1 ASP A 18 -5.012 5.162 -19.226 1.00 0.00 O ATOM 306 OD2 ASP A 18 -5.191 7.254 -19.707 1.00 0.00 O ATOM 0 H ASP A 18 -3.835 6.037 -16.312 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.804 4.424 -18.577 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.163 7.415 -18.065 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.481 6.763 -19.542 1.00 0.00 H new ATOM 311 N VAL A 19 -0.870 5.292 -16.342 1.00 0.00 N ATOM 312 CA VAL A 19 0.555 5.445 -15.925 1.00 0.00 C ATOM 313 C VAL A 19 1.134 4.079 -15.553 1.00 0.00 C ATOM 314 O VAL A 19 0.511 3.295 -14.867 1.00 0.00 O ATOM 315 CB VAL A 19 0.633 6.375 -14.713 1.00 0.00 C ATOM 316 CG1 VAL A 19 2.099 6.584 -14.325 1.00 0.00 C ATOM 317 CG2 VAL A 19 0.005 7.724 -15.066 1.00 0.00 C ATOM 0 H VAL A 19 -1.516 5.039 -15.594 1.00 0.00 H new ATOM 0 HA VAL A 19 1.128 5.868 -16.750 1.00 0.00 H new ATOM 0 HB VAL A 19 0.094 5.929 -13.877 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.156 7.247 -13.461 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.550 5.623 -14.076 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.637 7.031 -15.161 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.060 8.388 -14.203 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.545 8.169 -15.901 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.038 7.578 -15.345 1.00 0.00 H new ATOM 327 N ALA A 20 2.326 3.789 -16.003 1.00 0.00 N ATOM 328 CA ALA A 20 2.948 2.476 -15.674 1.00 0.00 C ATOM 329 C ALA A 20 3.374 2.471 -14.194 1.00 0.00 C ATOM 330 O ALA A 20 4.193 3.273 -13.792 1.00 0.00 O ATOM 331 CB ALA A 20 4.187 2.277 -16.551 1.00 0.00 C ATOM 0 H ALA A 20 2.895 4.405 -16.584 1.00 0.00 H new ATOM 0 HA ALA A 20 2.232 1.674 -15.853 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.649 1.318 -16.316 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.896 2.292 -17.601 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.900 3.079 -16.361 1.00 0.00 H new ATOM 337 N PRO A 21 2.842 1.581 -13.381 1.00 0.00 N ATOM 338 CA PRO A 21 3.214 1.514 -11.936 1.00 0.00 C ATOM 339 C PRO A 21 4.731 1.458 -11.736 1.00 0.00 C ATOM 340 O PRO A 21 5.248 1.880 -10.721 1.00 0.00 O ATOM 341 CB PRO A 21 2.576 0.214 -11.444 1.00 0.00 C ATOM 342 CG PRO A 21 1.470 -0.087 -12.397 1.00 0.00 C ATOM 343 CD PRO A 21 1.835 0.563 -13.732 1.00 0.00 C ATOM 0 HA PRO A 21 2.873 2.397 -11.395 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.305 -0.596 -11.425 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.196 0.326 -10.428 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.345 -1.163 -12.514 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.524 0.305 -12.024 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.237 -0.168 -14.433 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.963 1.014 -14.206 1.00 0.00 H new ATOM 351 N ALA A 22 5.447 0.942 -12.696 1.00 0.00 N ATOM 352 CA ALA A 22 6.929 0.861 -12.561 1.00 0.00 C ATOM 353 C ALA A 22 7.509 2.276 -12.509 1.00 0.00 C ATOM 354 O ALA A 22 8.574 2.503 -11.970 1.00 0.00 O ATOM 355 CB ALA A 22 7.511 0.114 -13.763 1.00 0.00 C ATOM 0 H ALA A 22 5.070 0.573 -13.569 1.00 0.00 H new ATOM 0 HA ALA A 22 7.184 0.327 -11.646 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.595 0.055 -13.664 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.095 -0.893 -13.802 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.259 0.647 -14.680 1.00 0.00 H new ATOM 361 N ASP A 23 6.815 3.228 -13.069 1.00 0.00 N ATOM 362 CA ASP A 23 7.322 4.629 -13.058 1.00 0.00 C ATOM 363 C ASP A 23 6.990 5.287 -11.717 1.00 0.00 C ATOM 364 O ASP A 23 7.189 6.471 -11.532 1.00 0.00 O ATOM 365 CB ASP A 23 6.662 5.419 -14.190 1.00 0.00 C ATOM 366 CG ASP A 23 7.295 6.808 -14.282 1.00 0.00 C ATOM 367 OD1 ASP A 23 8.268 7.041 -13.582 1.00 0.00 O ATOM 368 OD2 ASP A 23 6.800 7.615 -15.051 1.00 0.00 O ATOM 0 H ASP A 23 5.917 3.096 -13.535 1.00 0.00 H new ATOM 0 HA ASP A 23 8.403 4.622 -13.199 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.783 4.890 -15.135 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.591 5.508 -14.009 1.00 0.00 H new ATOM 373 N VAL A 24 6.484 4.532 -10.780 1.00 0.00 N ATOM 374 CA VAL A 24 6.140 5.126 -9.456 1.00 0.00 C ATOM 375 C VAL A 24 7.227 4.772 -8.447 1.00 0.00 C ATOM 376 O VAL A 24 7.642 3.635 -8.341 1.00 0.00 O ATOM 377 CB VAL A 24 4.814 4.548 -8.962 1.00 0.00 C ATOM 378 CG1 VAL A 24 4.319 5.361 -7.764 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.777 4.604 -10.085 1.00 0.00 C ATOM 0 H VAL A 24 6.295 3.534 -10.873 1.00 0.00 H new ATOM 0 HA VAL A 24 6.058 6.208 -9.560 1.00 0.00 H new ATOM 0 HB VAL A 24 4.961 3.511 -8.661 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.373 4.950 -7.411 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.057 5.314 -6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.174 6.399 -8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.833 4.191 -9.729 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.628 5.639 -10.391 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.130 4.021 -10.936 1.00 0.00 H new ATOM 389 N ASP A 25 7.687 5.730 -7.694 1.00 0.00 N ATOM 390 CA ASP A 25 8.737 5.429 -6.687 1.00 0.00 C ATOM 391 C ASP A 25 8.070 5.007 -5.379 1.00 0.00 C ATOM 392 O ASP A 25 7.312 5.751 -4.791 1.00 0.00 O ATOM 393 CB ASP A 25 9.582 6.681 -6.444 1.00 0.00 C ATOM 394 CG ASP A 25 10.350 7.036 -7.718 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.404 6.201 -8.606 1.00 0.00 O ATOM 396 OD2 ASP A 25 10.871 8.138 -7.785 1.00 0.00 O ATOM 0 H ASP A 25 7.383 6.703 -7.732 1.00 0.00 H new ATOM 0 HA ASP A 25 9.376 4.624 -7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.942 7.513 -6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.278 6.509 -5.623 1.00 0.00 H new ATOM 401 N VAL A 26 8.350 3.823 -4.911 1.00 0.00 N ATOM 402 CA VAL A 26 7.734 3.368 -3.639 1.00 0.00 C ATOM 403 C VAL A 26 8.357 4.142 -2.476 1.00 0.00 C ATOM 404 O VAL A 26 8.064 3.896 -1.323 1.00 0.00 O ATOM 405 CB VAL A 26 7.993 1.872 -3.455 1.00 0.00 C ATOM 406 CG1 VAL A 26 7.403 1.101 -4.636 1.00 0.00 C ATOM 407 CG2 VAL A 26 9.501 1.623 -3.386 1.00 0.00 C ATOM 0 H VAL A 26 8.978 3.153 -5.355 1.00 0.00 H new ATOM 0 HA VAL A 26 6.659 3.548 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 26 7.524 1.533 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.588 0.035 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.329 1.279 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.871 1.438 -5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.688 0.557 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.968 1.962 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.922 2.172 -2.544 1.00 0.00 H new ATOM 417 N ASP A 27 9.208 5.086 -2.775 1.00 0.00 N ATOM 418 CA ASP A 27 9.846 5.887 -1.699 1.00 0.00 C ATOM 419 C ASP A 27 9.051 7.178 -1.498 1.00 0.00 C ATOM 420 O ASP A 27 9.382 8.003 -0.670 1.00 0.00 O ATOM 421 CB ASP A 27 11.278 6.226 -2.110 1.00 0.00 C ATOM 422 CG ASP A 27 12.119 4.948 -2.141 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.645 3.939 -1.645 1.00 0.00 O ATOM 424 OD2 ASP A 27 13.222 5.001 -2.660 1.00 0.00 O ATOM 0 H ASP A 27 9.488 5.336 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 27 9.859 5.319 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.283 6.700 -3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.709 6.940 -1.408 1.00 0.00 H new ATOM 429 N LEU A 28 8.002 7.356 -2.254 1.00 0.00 N ATOM 430 CA LEU A 28 7.179 8.589 -2.116 1.00 0.00 C ATOM 431 C LEU A 28 5.930 8.274 -1.295 1.00 0.00 C ATOM 432 O LEU A 28 5.258 7.289 -1.525 1.00 0.00 O ATOM 433 CB LEU A 28 6.771 9.085 -3.505 1.00 0.00 C ATOM 434 CG LEU A 28 6.000 10.400 -3.375 1.00 0.00 C ATOM 435 CD1 LEU A 28 6.932 11.498 -2.856 1.00 0.00 C ATOM 436 CD2 LEU A 28 5.455 10.805 -4.747 1.00 0.00 C ATOM 0 H LEU A 28 7.679 6.698 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 28 7.758 9.363 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.656 9.230 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.153 8.337 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 28 5.175 10.267 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.378 12.432 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.323 11.212 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.759 11.633 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.905 11.742 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.283 10.935 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.788 10.027 -5.118 1.00 0.00 H new ATOM 448 N ASP A 29 5.618 9.097 -0.333 1.00 0.00 N ATOM 449 CA ASP A 29 4.418 8.834 0.505 1.00 0.00 C ATOM 450 C ASP A 29 3.148 9.023 -0.332 1.00 0.00 C ATOM 451 O ASP A 29 3.038 9.949 -1.111 1.00 0.00 O ATOM 452 CB ASP A 29 4.401 9.806 1.686 1.00 0.00 C ATOM 453 CG ASP A 29 5.574 9.498 2.619 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.176 8.450 2.457 1.00 0.00 O ATOM 455 OD2 ASP A 29 5.850 10.317 3.482 1.00 0.00 O ATOM 0 H ASP A 29 6.142 9.938 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 29 4.454 7.809 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.469 10.833 1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.459 9.720 2.228 1.00 0.00 H new ATOM 460 N LEU A 30 2.191 8.149 -0.176 1.00 0.00 N ATOM 461 CA LEU A 30 0.925 8.267 -0.959 1.00 0.00 C ATOM 462 C LEU A 30 0.158 9.530 -0.565 1.00 0.00 C ATOM 463 O LEU A 30 -0.443 10.183 -1.393 1.00 0.00 O ATOM 464 CB LEU A 30 0.040 7.052 -0.677 1.00 0.00 C ATOM 465 CG LEU A 30 0.663 5.799 -1.290 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.148 4.576 -0.857 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.643 5.909 -2.818 1.00 0.00 C ATOM 0 H LEU A 30 2.231 7.355 0.463 1.00 0.00 H new ATOM 0 HA LEU A 30 1.180 8.319 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.079 6.920 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.956 7.213 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 30 1.694 5.699 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.290 3.677 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.136 4.498 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.177 4.681 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.088 5.014 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.387 6.007 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.213 6.785 -3.127 1.00 0.00 H new ATOM 479 N VAL A 31 0.144 9.866 0.691 1.00 0.00 N ATOM 480 CA VAL A 31 -0.615 11.074 1.123 1.00 0.00 C ATOM 481 C VAL A 31 0.014 12.341 0.546 1.00 0.00 C ATOM 482 O VAL A 31 -0.676 13.258 0.152 1.00 0.00 O ATOM 483 CB VAL A 31 -0.626 11.161 2.642 1.00 0.00 C ATOM 484 CG1 VAL A 31 -1.279 12.478 3.057 1.00 0.00 C ATOM 485 CG2 VAL A 31 -1.430 9.987 3.201 1.00 0.00 C ATOM 0 H VAL A 31 0.622 9.361 1.437 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.637 10.989 0.753 1.00 0.00 H new ATOM 0 HB VAL A 31 0.392 11.121 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.292 12.551 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.711 13.312 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.301 12.513 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.444 10.041 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.451 10.032 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.969 9.049 2.890 1.00 0.00 H new ATOM 495 N ASP A 32 1.314 12.405 0.489 1.00 0.00 N ATOM 496 CA ASP A 32 1.957 13.626 -0.069 1.00 0.00 C ATOM 497 C ASP A 32 1.351 13.896 -1.441 1.00 0.00 C ATOM 498 O ASP A 32 1.181 15.027 -1.852 1.00 0.00 O ATOM 499 CB ASP A 32 3.465 13.401 -0.203 1.00 0.00 C ATOM 500 CG ASP A 32 4.096 13.328 1.188 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.402 13.621 2.148 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.263 12.981 1.270 1.00 0.00 O ATOM 0 H ASP A 32 1.953 11.674 0.801 1.00 0.00 H new ATOM 0 HA ASP A 32 1.789 14.477 0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.658 12.479 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.915 14.212 -0.776 1.00 0.00 H new ATOM 507 N ASN A 33 1.015 12.855 -2.147 1.00 0.00 N ATOM 508 CA ASN A 33 0.407 13.021 -3.492 1.00 0.00 C ATOM 509 C ASN A 33 -1.018 13.562 -3.357 1.00 0.00 C ATOM 510 O ASN A 33 -1.487 14.318 -4.184 1.00 0.00 O ATOM 511 CB ASN A 33 0.356 11.661 -4.177 1.00 0.00 C ATOM 512 CG ASN A 33 1.773 11.207 -4.530 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.692 12.000 -4.545 1.00 0.00 O ATOM 514 ND2 ASN A 33 1.989 9.952 -4.815 1.00 0.00 N ATOM 0 H ASN A 33 1.137 11.888 -1.846 1.00 0.00 H new ATOM 0 HA ASN A 33 1.004 13.721 -4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.117 10.930 -3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.252 11.720 -5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.930 9.637 -5.050 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.217 9.286 -4.802 1.00 0.00 H new ATOM 521 N GLY A 34 -1.715 13.167 -2.327 1.00 0.00 N ATOM 522 CA GLY A 34 -3.115 13.643 -2.147 1.00 0.00 C ATOM 523 C GLY A 34 -4.039 12.787 -3.009 1.00 0.00 C ATOM 524 O GLY A 34 -5.229 13.019 -3.088 1.00 0.00 O ATOM 0 H GLY A 34 -1.375 12.535 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.405 13.574 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.197 14.692 -2.432 1.00 0.00 H new ATOM 528 N VAL A 35 -3.495 11.792 -3.650 1.00 0.00 N ATOM 529 CA VAL A 35 -4.330 10.906 -4.504 1.00 0.00 C ATOM 530 C VAL A 35 -5.360 10.201 -3.626 1.00 0.00 C ATOM 531 O VAL A 35 -6.465 9.919 -4.050 1.00 0.00 O ATOM 532 CB VAL A 35 -3.440 9.865 -5.187 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.313 8.855 -5.932 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.509 10.564 -6.181 1.00 0.00 C ATOM 0 H VAL A 35 -2.504 11.554 -3.619 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.837 11.498 -5.266 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.847 9.346 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.678 8.114 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.977 8.357 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.907 9.373 -6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.875 9.823 -6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.103 11.083 -6.933 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.885 11.284 -5.651 1.00 0.00 H new ATOM 544 N ILE A 36 -5.008 9.910 -2.404 1.00 0.00 N ATOM 545 CA ILE A 36 -5.966 9.220 -1.501 1.00 0.00 C ATOM 546 C ILE A 36 -6.823 10.247 -0.764 1.00 0.00 C ATOM 547 O ILE A 36 -6.327 11.098 -0.052 1.00 0.00 O ATOM 548 CB ILE A 36 -5.197 8.381 -0.482 1.00 0.00 C ATOM 549 CG1 ILE A 36 -4.376 7.324 -1.212 1.00 0.00 C ATOM 550 CG2 ILE A 36 -6.180 7.687 0.453 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.526 6.548 -0.205 1.00 0.00 C ATOM 0 H ILE A 36 -4.098 10.121 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.611 8.574 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.537 9.030 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.036 6.642 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.735 7.797 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.630 7.089 1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.776 8.436 0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.838 7.040 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.940 5.793 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.855 7.235 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.177 6.062 0.522 1.00 0.00 H new ATOM 563 N ASP A 37 -8.112 10.162 -0.933 1.00 0.00 N ATOM 564 CA ASP A 37 -9.033 11.108 -0.256 1.00 0.00 C ATOM 565 C ASP A 37 -9.915 10.329 0.723 1.00 0.00 C ATOM 566 O ASP A 37 -9.586 9.231 1.128 1.00 0.00 O ATOM 567 CB ASP A 37 -9.911 11.781 -1.309 1.00 0.00 C ATOM 568 CG ASP A 37 -9.057 12.715 -2.168 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.922 12.958 -1.795 1.00 0.00 O ATOM 570 OD2 ASP A 37 -9.553 13.172 -3.185 1.00 0.00 O ATOM 0 H ASP A 37 -8.571 9.466 -1.521 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.465 11.864 0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.387 11.027 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.710 12.344 -0.826 1.00 0.00 H new ATOM 575 N ALA A 38 -11.032 10.882 1.106 1.00 0.00 N ATOM 576 CA ALA A 38 -11.930 10.162 2.053 1.00 0.00 C ATOM 577 C ALA A 38 -12.512 8.938 1.351 1.00 0.00 C ATOM 578 O ALA A 38 -12.386 7.819 1.811 1.00 0.00 O ATOM 579 CB ALA A 38 -13.064 11.090 2.492 1.00 0.00 C ATOM 0 H ALA A 38 -11.362 11.799 0.805 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.365 9.849 2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.719 10.561 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.646 11.967 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.636 11.404 1.619 1.00 0.00 H new ATOM 585 N LEU A 39 -13.124 9.140 0.218 1.00 0.00 N ATOM 586 CA LEU A 39 -13.684 7.994 -0.537 1.00 0.00 C ATOM 587 C LEU A 39 -12.512 7.156 -1.015 1.00 0.00 C ATOM 588 O LEU A 39 -12.585 5.948 -1.114 1.00 0.00 O ATOM 589 CB LEU A 39 -14.483 8.502 -1.734 1.00 0.00 C ATOM 590 CG LEU A 39 -15.558 9.477 -1.257 1.00 0.00 C ATOM 591 CD1 LEU A 39 -16.463 9.855 -2.430 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.395 8.818 -0.158 1.00 0.00 C ATOM 0 H LEU A 39 -13.259 10.053 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.351 7.404 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.819 8.996 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.944 7.665 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.083 10.375 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.230 10.551 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.867 10.326 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.938 8.958 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.162 9.514 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.870 7.919 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.750 8.551 0.679 1.00 0.00 H new ATOM 604 N GLY A 40 -11.417 7.804 -1.298 1.00 0.00 N ATOM 605 CA GLY A 40 -10.217 7.069 -1.757 1.00 0.00 C ATOM 606 C GLY A 40 -9.827 6.061 -0.681 1.00 0.00 C ATOM 607 O GLY A 40 -9.468 4.935 -0.966 1.00 0.00 O ATOM 0 H GLY A 40 -11.306 8.816 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.422 6.559 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.396 7.762 -1.943 1.00 0.00 H new ATOM 611 N LEU A 41 -9.916 6.456 0.558 1.00 0.00 N ATOM 612 CA LEU A 41 -9.576 5.526 1.663 1.00 0.00 C ATOM 613 C LEU A 41 -10.584 4.378 1.672 1.00 0.00 C ATOM 614 O LEU A 41 -10.235 3.225 1.839 1.00 0.00 O ATOM 615 CB LEU A 41 -9.643 6.290 2.986 1.00 0.00 C ATOM 616 CG LEU A 41 -9.217 5.378 4.133 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.358 6.172 5.116 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.464 4.861 4.849 1.00 0.00 C ATOM 0 H LEU A 41 -10.211 7.387 0.851 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.573 5.123 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.994 7.165 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.657 6.653 3.156 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.642 4.538 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.052 5.524 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.474 6.551 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.935 7.009 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.168 4.208 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.033 5.703 5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.082 4.302 4.146 1.00 0.00 H new ATOM 630 N LEU A 42 -11.837 4.689 1.483 1.00 0.00 N ATOM 631 CA LEU A 42 -12.875 3.622 1.470 1.00 0.00 C ATOM 632 C LEU A 42 -12.569 2.638 0.342 1.00 0.00 C ATOM 633 O LEU A 42 -12.620 1.437 0.518 1.00 0.00 O ATOM 634 CB LEU A 42 -14.242 4.268 1.218 1.00 0.00 C ATOM 635 CG LEU A 42 -15.336 3.197 1.178 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.996 3.085 2.552 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.382 3.584 0.132 1.00 0.00 C ATOM 0 H LEU A 42 -12.186 5.636 1.337 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.881 3.095 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.460 4.992 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.225 4.816 0.276 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.897 2.235 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.774 2.322 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.247 2.809 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.438 4.044 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.163 2.824 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.822 4.546 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.908 3.658 -0.847 1.00 0.00 H new ATOM 649 N LYS A 43 -12.260 3.142 -0.812 1.00 0.00 N ATOM 650 CA LYS A 43 -11.956 2.247 -1.957 1.00 0.00 C ATOM 651 C LYS A 43 -10.763 1.355 -1.609 1.00 0.00 C ATOM 652 O LYS A 43 -10.692 0.209 -2.006 1.00 0.00 O ATOM 653 CB LYS A 43 -11.616 3.091 -3.184 1.00 0.00 C ATOM 654 CG LYS A 43 -12.852 3.872 -3.634 1.00 0.00 C ATOM 655 CD LYS A 43 -12.532 4.628 -4.926 1.00 0.00 C ATOM 656 CE LYS A 43 -13.725 5.503 -5.315 1.00 0.00 C ATOM 657 NZ LYS A 43 -13.763 6.710 -4.440 1.00 0.00 N ATOM 0 H LYS A 43 -12.204 4.140 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.825 1.624 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.805 3.780 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.266 2.449 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.688 3.191 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.157 4.572 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.644 5.245 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.308 3.923 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.645 5.801 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.652 4.938 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.747 6.911 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.197 6.537 -3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.372 7.525 -4.955 1.00 0.00 H new ATOM 671 N VAL A 44 -9.820 1.879 -0.876 1.00 0.00 N ATOM 672 CA VAL A 44 -8.623 1.075 -0.506 1.00 0.00 C ATOM 673 C VAL A 44 -9.042 -0.138 0.324 1.00 0.00 C ATOM 674 O VAL A 44 -8.652 -1.256 0.050 1.00 0.00 O ATOM 675 CB VAL A 44 -7.667 1.943 0.314 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.553 1.070 0.894 1.00 0.00 C ATOM 677 CG2 VAL A 44 -7.055 3.016 -0.589 1.00 0.00 C ATOM 0 H VAL A 44 -9.828 2.833 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.127 0.732 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.215 2.419 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.872 1.689 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.988 0.304 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.004 0.594 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.373 3.636 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.507 2.539 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.848 3.639 -1.003 1.00 0.00 H new ATOM 687 N ILE A 45 -9.830 0.073 1.337 1.00 0.00 N ATOM 688 CA ILE A 45 -10.272 -1.059 2.193 1.00 0.00 C ATOM 689 C ILE A 45 -11.207 -1.994 1.419 1.00 0.00 C ATOM 690 O ILE A 45 -11.254 -3.178 1.674 1.00 0.00 O ATOM 691 CB ILE A 45 -11.011 -0.505 3.412 1.00 0.00 C ATOM 692 CG1 ILE A 45 -10.015 0.144 4.381 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.737 -1.644 4.119 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.731 1.582 3.944 1.00 0.00 C ATOM 0 H ILE A 45 -10.190 0.987 1.611 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.395 -1.625 2.506 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.730 0.246 3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.419 0.135 5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.088 -0.429 4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.265 -1.254 4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.452 -2.100 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.013 -2.393 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.023 2.039 4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.308 1.580 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.660 2.153 3.945 1.00 0.00 H new ATOM 706 N ALA A 46 -11.976 -1.478 0.503 1.00 0.00 N ATOM 707 CA ALA A 46 -12.928 -2.354 -0.242 1.00 0.00 C ATOM 708 C ALA A 46 -12.184 -3.372 -1.115 1.00 0.00 C ATOM 709 O ALA A 46 -12.464 -4.556 -1.076 1.00 0.00 O ATOM 710 CB ALA A 46 -13.809 -1.483 -1.135 1.00 0.00 C ATOM 0 H ALA A 46 -11.989 -0.493 0.237 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.532 -2.900 0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.508 -2.114 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.365 -0.776 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.184 -0.936 -1.841 1.00 0.00 H new ATOM 716 N TRP A 47 -11.242 -2.935 -1.903 1.00 0.00 N ATOM 717 CA TRP A 47 -10.511 -3.903 -2.774 1.00 0.00 C ATOM 718 C TRP A 47 -9.424 -4.610 -1.972 1.00 0.00 C ATOM 719 O TRP A 47 -9.245 -5.808 -2.070 1.00 0.00 O ATOM 720 CB TRP A 47 -9.870 -3.163 -3.951 1.00 0.00 C ATOM 721 CG TRP A 47 -8.391 -3.393 -3.937 1.00 0.00 C ATOM 722 CD1 TRP A 47 -7.776 -4.566 -4.219 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.333 -2.443 -3.632 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.408 -4.394 -4.095 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.087 -3.100 -3.737 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.341 -1.088 -3.276 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -4.886 -2.432 -3.495 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.138 -0.409 -3.031 1.00 0.00 C ATOM 729 CH2 TRP A 47 -4.911 -1.080 -3.139 1.00 0.00 C ATOM 0 H TRP A 47 -10.947 -1.962 -1.983 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.220 -4.641 -3.150 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.295 -3.515 -4.891 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.084 -2.096 -3.884 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.271 -5.485 -4.495 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.722 -5.133 -4.249 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.280 -0.562 -3.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.945 -2.955 -3.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.157 0.636 -2.758 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.988 -0.554 -2.948 1.00 0.00 H new ATOM 740 N LEU A 48 -8.681 -3.877 -1.198 1.00 0.00 N ATOM 741 CA LEU A 48 -7.589 -4.504 -0.411 1.00 0.00 C ATOM 742 C LEU A 48 -8.159 -5.587 0.510 1.00 0.00 C ATOM 743 O LEU A 48 -7.594 -6.653 0.650 1.00 0.00 O ATOM 744 CB LEU A 48 -6.906 -3.425 0.431 1.00 0.00 C ATOM 745 CG LEU A 48 -5.675 -4.005 1.124 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.549 -4.212 0.106 1.00 0.00 C ATOM 747 CD2 LEU A 48 -5.206 -3.034 2.212 1.00 0.00 C ATOM 0 H LEU A 48 -8.782 -2.869 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.869 -4.962 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.616 -2.587 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.603 -3.037 1.174 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.932 -4.966 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.675 -4.626 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.882 -4.902 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.288 -3.256 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.327 -3.443 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.953 -2.075 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.003 -2.892 2.941 1.00 0.00 H new ATOM 759 N GLU A 49 -9.272 -5.325 1.137 1.00 0.00 N ATOM 760 CA GLU A 49 -9.869 -6.343 2.045 1.00 0.00 C ATOM 761 C GLU A 49 -10.467 -7.486 1.220 1.00 0.00 C ATOM 762 O GLU A 49 -10.418 -8.636 1.610 1.00 0.00 O ATOM 763 CB GLU A 49 -10.959 -5.681 2.890 1.00 0.00 C ATOM 764 CG GLU A 49 -12.229 -5.509 2.058 1.00 0.00 C ATOM 765 CD GLU A 49 -13.042 -6.808 2.056 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.850 -7.610 2.954 1.00 0.00 O ATOM 767 OE2 GLU A 49 -13.845 -6.976 1.153 1.00 0.00 O ATOM 0 H GLU A 49 -9.793 -4.451 1.060 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.098 -6.749 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.170 -6.290 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.615 -4.711 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.831 -4.696 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.968 -5.233 1.036 1.00 0.00 H new ATOM 774 N ASP A 50 -11.040 -7.179 0.089 1.00 0.00 N ATOM 775 CA ASP A 50 -11.652 -8.245 -0.755 1.00 0.00 C ATOM 776 C ASP A 50 -10.598 -9.276 -1.175 1.00 0.00 C ATOM 777 O ASP A 50 -10.870 -10.457 -1.253 1.00 0.00 O ATOM 778 CB ASP A 50 -12.250 -7.604 -2.005 1.00 0.00 C ATOM 779 CG ASP A 50 -13.067 -8.644 -2.774 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.225 -9.740 -2.263 1.00 0.00 O ATOM 781 OD2 ASP A 50 -13.521 -8.326 -3.861 1.00 0.00 O ATOM 0 H ASP A 50 -11.111 -6.234 -0.288 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.426 -8.751 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.884 -6.762 -1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.456 -7.209 -2.639 1.00 0.00 H new ATOM 786 N ARG A 51 -9.407 -8.836 -1.473 1.00 0.00 N ATOM 787 CA ARG A 51 -8.347 -9.784 -1.919 1.00 0.00 C ATOM 788 C ARG A 51 -8.018 -10.817 -0.837 1.00 0.00 C ATOM 789 O ARG A 51 -7.769 -11.968 -1.136 1.00 0.00 O ATOM 790 CB ARG A 51 -7.087 -8.996 -2.259 1.00 0.00 C ATOM 791 CG ARG A 51 -7.344 -8.132 -3.493 1.00 0.00 C ATOM 792 CD ARG A 51 -6.055 -7.410 -3.886 1.00 0.00 C ATOM 793 NE ARG A 51 -5.048 -8.407 -4.346 1.00 0.00 N ATOM 794 CZ ARG A 51 -3.773 -8.142 -4.249 1.00 0.00 C ATOM 795 NH1 ARG A 51 -3.379 -7.002 -3.750 1.00 0.00 N ATOM 796 NH2 ARG A 51 -2.892 -9.017 -4.651 1.00 0.00 N ATOM 0 H ARG A 51 -9.121 -7.858 -1.427 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.716 -10.319 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.799 -8.368 -1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.258 -9.678 -2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.692 -8.753 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.131 -7.407 -3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.257 -6.689 -4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.666 -6.850 -3.036 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.355 -9.298 -4.737 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.067 -6.318 -3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.383 -6.795 -3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.199 -9.908 -5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.896 -8.810 -4.575 1.00 0.00 H new ATOM 810 N PHE A 52 -7.991 -10.429 0.410 1.00 0.00 N ATOM 811 CA PHE A 52 -7.650 -11.414 1.473 1.00 0.00 C ATOM 812 C PHE A 52 -8.921 -11.959 2.125 1.00 0.00 C ATOM 813 O PHE A 52 -8.877 -12.898 2.894 1.00 0.00 O ATOM 814 CB PHE A 52 -6.769 -10.728 2.518 1.00 0.00 C ATOM 815 CG PHE A 52 -5.419 -10.441 1.908 1.00 0.00 C ATOM 816 CD1 PHE A 52 -5.210 -9.254 1.195 1.00 0.00 C ATOM 817 CD2 PHE A 52 -4.378 -11.366 2.048 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.959 -8.993 0.623 1.00 0.00 C ATOM 819 CE2 PHE A 52 -3.128 -11.106 1.474 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.918 -9.920 0.762 1.00 0.00 C ATOM 0 H PHE A 52 -8.188 -9.482 0.735 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.111 -12.253 1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.235 -9.802 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.658 -11.366 3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.013 -8.540 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.539 -12.281 2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.797 -8.077 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.326 -11.821 1.581 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.953 -9.719 0.320 1.00 0.00 H new ATOM 830 N GLY A 53 -10.052 -11.386 1.826 1.00 0.00 N ATOM 831 CA GLY A 53 -11.314 -11.886 2.434 1.00 0.00 C ATOM 832 C GLY A 53 -11.324 -11.517 3.911 1.00 0.00 C ATOM 833 O GLY A 53 -11.867 -12.227 4.735 1.00 0.00 O ATOM 0 H GLY A 53 -10.157 -10.596 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.176 -11.449 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.389 -12.967 2.314 1.00 0.00 H new ATOM 837 N ILE A 54 -10.714 -10.415 4.251 1.00 0.00 N ATOM 838 CA ILE A 54 -10.671 -9.998 5.677 1.00 0.00 C ATOM 839 C ILE A 54 -11.603 -8.806 5.896 1.00 0.00 C ATOM 840 O ILE A 54 -11.876 -8.047 4.993 1.00 0.00 O ATOM 841 CB ILE A 54 -9.237 -9.612 6.034 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.785 -8.467 5.124 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.324 -10.823 5.837 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.344 -8.082 5.460 1.00 0.00 C ATOM 0 H ILE A 54 -10.243 -9.786 3.600 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.999 -10.820 6.314 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.186 -9.290 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.857 -8.769 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.441 -7.606 5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.299 -10.551 6.091 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.654 -11.637 6.483 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.367 -11.145 4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.024 -7.267 4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.286 -7.762 6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.693 -8.943 5.309 1.00 0.00 H new ATOM 856 N ALA A 55 -12.105 -8.642 7.091 1.00 0.00 N ATOM 857 CA ALA A 55 -13.027 -7.503 7.358 1.00 0.00 C ATOM 858 C ALA A 55 -12.260 -6.361 8.024 1.00 0.00 C ATOM 859 O ALA A 55 -11.499 -6.565 8.950 1.00 0.00 O ATOM 860 CB ALA A 55 -14.153 -7.968 8.283 1.00 0.00 C ATOM 0 H ALA A 55 -11.916 -9.246 7.891 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.448 -7.151 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.829 -7.136 8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.704 -8.779 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.729 -8.321 9.223 1.00 0.00 H new ATOM 866 N ALA A 56 -12.459 -5.156 7.562 1.00 0.00 N ATOM 867 CA ALA A 56 -11.749 -3.995 8.168 1.00 0.00 C ATOM 868 C ALA A 56 -12.271 -3.760 9.587 1.00 0.00 C ATOM 869 O ALA A 56 -11.607 -3.171 10.413 1.00 0.00 O ATOM 870 CB ALA A 56 -11.999 -2.746 7.320 1.00 0.00 C ATOM 0 H ALA A 56 -13.084 -4.926 6.789 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.680 -4.203 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.480 -1.896 7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.627 -2.912 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.069 -2.539 7.284 1.00 0.00 H new ATOM 876 N ASP A 57 -13.460 -4.212 9.872 1.00 0.00 N ATOM 877 CA ASP A 57 -14.031 -4.010 11.231 1.00 0.00 C ATOM 878 C ASP A 57 -13.069 -4.558 12.289 1.00 0.00 C ATOM 879 O ASP A 57 -12.948 -4.015 13.369 1.00 0.00 O ATOM 880 CB ASP A 57 -15.366 -4.744 11.326 1.00 0.00 C ATOM 881 CG ASP A 57 -16.392 -4.058 10.422 1.00 0.00 C ATOM 882 OD1 ASP A 57 -16.105 -2.969 9.954 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.446 -4.635 10.212 1.00 0.00 O ATOM 0 H ASP A 57 -14.062 -4.714 9.220 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.181 -2.945 11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.242 -5.785 11.029 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.719 -4.747 12.357 1.00 0.00 H new ATOM 888 N ASP A 58 -12.393 -5.632 11.994 1.00 0.00 N ATOM 889 CA ASP A 58 -11.448 -6.213 12.990 1.00 0.00 C ATOM 890 C ASP A 58 -10.430 -5.156 13.425 1.00 0.00 C ATOM 891 O ASP A 58 -10.068 -5.073 14.581 1.00 0.00 O ATOM 892 CB ASP A 58 -10.715 -7.398 12.362 1.00 0.00 C ATOM 893 CG ASP A 58 -11.703 -8.539 12.118 1.00 0.00 C ATOM 894 OD1 ASP A 58 -12.809 -8.459 12.626 1.00 0.00 O ATOM 895 OD2 ASP A 58 -11.336 -9.476 11.426 1.00 0.00 O ATOM 0 H ASP A 58 -12.453 -6.133 11.108 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.009 -6.548 13.863 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.253 -7.096 11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.912 -7.732 13.019 1.00 0.00 H new ATOM 900 N VAL A 59 -9.965 -4.351 12.510 1.00 0.00 N ATOM 901 CA VAL A 59 -8.969 -3.301 12.877 1.00 0.00 C ATOM 902 C VAL A 59 -9.338 -1.981 12.198 1.00 0.00 C ATOM 903 O VAL A 59 -9.783 -1.956 11.068 1.00 0.00 O ATOM 904 CB VAL A 59 -7.577 -3.738 12.418 1.00 0.00 C ATOM 905 CG1 VAL A 59 -7.543 -3.818 10.891 1.00 0.00 C ATOM 906 CG2 VAL A 59 -6.541 -2.719 12.898 1.00 0.00 C ATOM 0 H VAL A 59 -10.230 -4.373 11.525 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.971 -3.163 13.958 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.347 -4.718 12.837 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.551 -4.129 10.565 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.282 -4.543 10.548 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.772 -2.839 10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.548 -3.029 12.572 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.772 -1.740 12.478 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.564 -2.662 13.986 1.00 0.00 H new ATOM 916 N GLU A 60 -9.151 -0.879 12.872 1.00 0.00 N ATOM 917 CA GLU A 60 -9.488 0.435 12.256 1.00 0.00 C ATOM 918 C GLU A 60 -8.248 0.999 11.559 1.00 0.00 C ATOM 919 O GLU A 60 -7.164 0.999 12.107 1.00 0.00 O ATOM 920 CB GLU A 60 -9.948 1.407 13.343 1.00 0.00 C ATOM 921 CG GLU A 60 -10.427 2.704 12.700 1.00 0.00 C ATOM 922 CD GLU A 60 -10.788 3.715 13.790 1.00 0.00 C ATOM 923 OE1 GLU A 60 -10.633 3.382 14.953 1.00 0.00 O ATOM 924 OE2 GLU A 60 -11.214 4.804 13.442 1.00 0.00 O ATOM 0 H GLU A 60 -8.780 -0.832 13.821 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.288 0.302 11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.752 0.960 13.928 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.129 1.612 14.032 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.648 3.111 12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.294 2.510 12.068 1.00 0.00 H new ATOM 931 N LEU A 61 -8.398 1.471 10.352 1.00 0.00 N ATOM 932 CA LEU A 61 -7.231 2.024 9.620 1.00 0.00 C ATOM 933 C LEU A 61 -7.217 3.548 9.750 1.00 0.00 C ATOM 934 O LEU A 61 -8.239 4.197 9.662 1.00 0.00 O ATOM 935 CB LEU A 61 -7.345 1.639 8.147 1.00 0.00 C ATOM 936 CG LEU A 61 -7.540 0.130 8.025 1.00 0.00 C ATOM 937 CD1 LEU A 61 -7.477 -0.277 6.551 1.00 0.00 C ATOM 938 CD2 LEU A 61 -6.439 -0.598 8.799 1.00 0.00 C ATOM 0 H LEU A 61 -9.281 1.496 9.843 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.309 1.622 10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.184 2.162 7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.447 1.944 7.610 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.512 -0.140 8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.616 -1.355 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.264 0.236 5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.506 -0.003 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.582 -1.675 8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.466 -0.326 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.483 -0.313 9.850 1.00 0.00 H new ATOM 950 N SER A 62 -6.061 4.120 9.951 1.00 0.00 N ATOM 951 CA SER A 62 -5.966 5.599 10.077 1.00 0.00 C ATOM 952 C SER A 62 -5.261 6.158 8.842 1.00 0.00 C ATOM 953 O SER A 62 -4.524 5.461 8.174 1.00 0.00 O ATOM 954 CB SER A 62 -5.162 5.954 11.328 1.00 0.00 C ATOM 955 OG SER A 62 -4.187 6.935 10.998 1.00 0.00 O ATOM 0 H SER A 62 -5.175 3.622 10.034 1.00 0.00 H new ATOM 0 HA SER A 62 -6.965 6.028 10.158 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.826 6.332 12.106 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.677 5.063 11.728 1.00 0.00 H new ATOM 0 HG SER A 62 -3.671 7.166 11.799 1.00 0.00 H new ATOM 961 N PRO A 63 -5.479 7.406 8.543 1.00 0.00 N ATOM 962 CA PRO A 63 -4.851 8.069 7.368 1.00 0.00 C ATOM 963 C PRO A 63 -3.326 7.919 7.385 1.00 0.00 C ATOM 964 O PRO A 63 -2.673 7.976 6.361 1.00 0.00 O ATOM 965 CB PRO A 63 -5.247 9.546 7.502 1.00 0.00 C ATOM 966 CG PRO A 63 -5.841 9.702 8.866 1.00 0.00 C ATOM 967 CD PRO A 63 -6.341 8.326 9.289 1.00 0.00 C ATOM 0 HA PRO A 63 -5.184 7.626 6.429 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.379 10.193 7.380 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.965 9.827 6.731 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.098 10.077 9.570 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.659 10.423 8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.249 8.179 10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.392 8.186 9.036 1.00 0.00 H new ATOM 975 N GLU A 64 -2.757 7.723 8.544 1.00 0.00 N ATOM 976 CA GLU A 64 -1.284 7.564 8.644 1.00 0.00 C ATOM 977 C GLU A 64 -0.876 6.217 8.059 1.00 0.00 C ATOM 978 O GLU A 64 0.222 6.050 7.575 1.00 0.00 O ATOM 979 CB GLU A 64 -0.869 7.632 10.110 1.00 0.00 C ATOM 980 CG GLU A 64 -1.220 9.001 10.678 1.00 0.00 C ATOM 981 CD GLU A 64 -0.726 9.099 12.122 1.00 0.00 C ATOM 982 OE1 GLU A 64 -0.304 8.086 12.653 1.00 0.00 O ATOM 983 OE2 GLU A 64 -0.778 10.187 12.673 1.00 0.00 O ATOM 0 H GLU A 64 -3.257 7.666 9.431 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.791 8.362 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.375 6.851 10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.202 7.452 10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.764 9.785 10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.298 9.156 10.641 1.00 0.00 H new ATOM 990 N HIS A 65 -1.748 5.253 8.099 1.00 0.00 N ATOM 991 CA HIS A 65 -1.395 3.921 7.547 1.00 0.00 C ATOM 992 C HIS A 65 -1.199 4.045 6.039 1.00 0.00 C ATOM 993 O HIS A 65 -0.565 3.221 5.411 1.00 0.00 O ATOM 994 CB HIS A 65 -2.521 2.928 7.826 1.00 0.00 C ATOM 995 CG HIS A 65 -2.308 1.696 6.995 1.00 0.00 C ATOM 996 ND1 HIS A 65 -3.310 1.158 6.198 1.00 0.00 N ATOM 997 CD2 HIS A 65 -1.210 0.895 6.810 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.796 0.081 5.575 1.00 0.00 C ATOM 999 NE2 HIS A 65 -1.522 -0.120 5.915 1.00 0.00 N ATOM 0 H HIS A 65 -2.687 5.330 8.489 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.478 3.565 8.017 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.540 2.669 8.885 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.486 3.378 7.591 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.261 1.514 6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.251 1.032 7.287 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.346 -0.542 4.886 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.739 5.075 5.460 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.593 5.270 3.997 1.00 0.00 C ATOM 1010 C PHE A 66 -0.354 6.122 3.738 1.00 0.00 C ATOM 1011 O PHE A 66 -0.169 6.676 2.674 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.839 5.974 3.461 1.00 0.00 C ATOM 1013 CG PHE A 66 -4.063 5.200 3.889 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.506 5.276 5.216 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.758 4.412 2.964 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.641 4.563 5.618 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.893 3.698 3.367 1.00 0.00 C ATOM 1018 CZ PHE A 66 -6.333 3.775 4.695 1.00 0.00 C ATOM 0 H PHE A 66 -2.279 5.795 5.941 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.483 4.310 3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.887 6.995 3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.796 6.040 2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.971 5.885 5.929 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.419 4.355 1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.982 4.622 6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.429 3.088 2.655 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.209 3.224 5.006 1.00 0.00 H new ATOM 1028 N ARG A 67 0.492 6.226 4.722 1.00 0.00 N ATOM 1029 CA ARG A 67 1.728 7.034 4.582 1.00 0.00 C ATOM 1030 C ARG A 67 2.470 6.650 3.298 1.00 0.00 C ATOM 1031 O ARG A 67 3.042 7.490 2.635 1.00 0.00 O ATOM 1032 CB ARG A 67 2.618 6.758 5.792 1.00 0.00 C ATOM 1033 CG ARG A 67 2.985 5.274 5.823 1.00 0.00 C ATOM 1034 CD ARG A 67 2.946 4.764 7.265 1.00 0.00 C ATOM 1035 NE ARG A 67 3.758 3.520 7.379 1.00 0.00 N ATOM 1036 CZ ARG A 67 3.568 2.709 8.385 1.00 0.00 C ATOM 1037 NH1 ARG A 67 2.681 2.998 9.298 1.00 0.00 N ATOM 1038 NH2 ARG A 67 4.265 1.610 8.478 1.00 0.00 N ATOM 0 H ARG A 67 0.375 5.777 5.631 1.00 0.00 H new ATOM 0 HA ARG A 67 1.474 8.093 4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.521 7.366 5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.099 7.035 6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.290 4.704 5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.979 5.126 5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.333 5.526 7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.916 4.567 7.564 1.00 0.00 H new ATOM 0 HE ARG A 67 4.461 3.302 6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.136 3.857 9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.533 2.365 10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.958 1.384 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.116 0.977 9.264 1.00 0.00 H new ATOM 1052 N SER A 68 2.475 5.394 2.941 1.00 0.00 N ATOM 1053 CA SER A 68 3.196 4.987 1.700 1.00 0.00 C ATOM 1054 C SER A 68 2.736 3.595 1.250 1.00 0.00 C ATOM 1055 O SER A 68 2.232 2.814 2.032 1.00 0.00 O ATOM 1056 CB SER A 68 4.698 4.969 1.978 1.00 0.00 C ATOM 1057 OG SER A 68 5.372 4.356 0.888 1.00 0.00 O ATOM 0 H SER A 68 2.016 4.638 3.449 1.00 0.00 H new ATOM 0 HA SER A 68 2.975 5.700 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.065 5.985 2.121 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.902 4.423 2.899 1.00 0.00 H new ATOM 0 HG SER A 68 6.201 4.844 0.700 1.00 0.00 H new ATOM 1063 N ILE A 69 2.911 3.283 -0.008 1.00 0.00 N ATOM 1064 CA ILE A 69 2.493 1.949 -0.520 1.00 0.00 C ATOM 1065 C ILE A 69 3.214 0.857 0.270 1.00 0.00 C ATOM 1066 O ILE A 69 2.652 -0.170 0.594 1.00 0.00 O ATOM 1067 CB ILE A 69 2.879 1.833 -1.993 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.575 3.152 -2.702 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.067 0.717 -2.641 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.860 3.972 -2.828 1.00 0.00 C ATOM 0 H ILE A 69 3.328 3.900 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 69 1.415 1.836 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 69 3.943 1.609 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.157 2.958 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.826 3.713 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.340 0.632 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.275 -0.225 -2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.004 0.946 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.643 4.913 -3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.259 4.178 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.595 3.411 -3.405 1.00 0.00 H new ATOM 1082 N ARG A 70 4.460 1.079 0.578 1.00 0.00 N ATOM 1083 CA ARG A 70 5.237 0.070 1.346 1.00 0.00 C ATOM 1084 C ARG A 70 4.538 -0.205 2.678 1.00 0.00 C ATOM 1085 O ARG A 70 4.453 -1.331 3.126 1.00 0.00 O ATOM 1086 CB ARG A 70 6.639 0.626 1.607 1.00 0.00 C ATOM 1087 CG ARG A 70 6.513 1.954 2.363 1.00 0.00 C ATOM 1088 CD ARG A 70 7.671 2.895 2.004 1.00 0.00 C ATOM 1089 NE ARG A 70 8.907 2.456 2.708 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.014 3.133 2.569 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.037 4.197 1.813 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.097 2.748 3.186 1.00 0.00 N ATOM 0 H ARG A 70 4.977 1.922 0.329 1.00 0.00 H new ATOM 0 HA ARG A 70 5.306 -0.859 0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.224 -0.085 2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.166 0.777 0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.563 2.429 2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.509 1.768 3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.834 2.893 0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.423 3.918 2.287 1.00 0.00 H new ATOM 0 HE ARG A 70 8.889 1.625 3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.190 4.499 1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.902 4.727 1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.079 1.917 3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.962 3.278 3.077 1.00 0.00 H new ATOM 1106 N SER A 71 4.035 0.816 3.312 1.00 0.00 N ATOM 1107 CA SER A 71 3.341 0.616 4.611 1.00 0.00 C ATOM 1108 C SER A 71 2.074 -0.215 4.397 1.00 0.00 C ATOM 1109 O SER A 71 1.716 -1.039 5.214 1.00 0.00 O ATOM 1110 CB SER A 71 2.962 1.978 5.189 1.00 0.00 C ATOM 1111 OG SER A 71 1.943 2.560 4.386 1.00 0.00 O ATOM 0 H SER A 71 4.075 1.781 2.985 1.00 0.00 H new ATOM 0 HA SER A 71 4.002 0.091 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.613 1.866 6.216 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.835 2.630 5.218 1.00 0.00 H new ATOM 0 HG SER A 71 2.164 2.439 3.439 1.00 0.00 H new ATOM 1117 N ILE A 72 1.391 -0.004 3.303 1.00 0.00 N ATOM 1118 CA ILE A 72 0.153 -0.778 3.037 1.00 0.00 C ATOM 1119 C ILE A 72 0.495 -2.257 2.859 1.00 0.00 C ATOM 1120 O ILE A 72 -0.164 -3.127 3.393 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.504 -0.245 1.767 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.854 1.232 1.955 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.775 -1.037 1.485 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.436 1.789 0.655 1.00 0.00 C ATOM 0 H ILE A 72 1.641 0.674 2.583 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.533 -0.672 3.878 1.00 0.00 H new ATOM 0 HB ILE A 72 0.184 -0.350 0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.574 1.346 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.036 1.794 2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.246 -0.658 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.526 -2.090 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.464 -0.931 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.685 2.842 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.702 1.689 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.336 1.234 0.392 1.00 0.00 H new ATOM 1136 N ASP A 73 1.521 -2.549 2.107 1.00 0.00 N ATOM 1137 CA ASP A 73 1.902 -3.971 1.892 1.00 0.00 C ATOM 1138 C ASP A 73 2.225 -4.619 3.238 1.00 0.00 C ATOM 1139 O ASP A 73 1.856 -5.746 3.504 1.00 0.00 O ATOM 1140 CB ASP A 73 3.139 -4.033 0.994 1.00 0.00 C ATOM 1141 CG ASP A 73 3.302 -5.451 0.445 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.431 -6.267 0.696 1.00 0.00 O ATOM 1143 OD2 ASP A 73 4.296 -5.697 -0.218 1.00 0.00 O ATOM 0 H ASP A 73 2.110 -1.864 1.633 1.00 0.00 H new ATOM 0 HA ASP A 73 1.076 -4.502 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.041 -3.323 0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.026 -3.746 1.559 1.00 0.00 H new ATOM 1148 N ALA A 74 2.919 -3.913 4.087 1.00 0.00 N ATOM 1149 CA ALA A 74 3.275 -4.482 5.416 1.00 0.00 C ATOM 1150 C ALA A 74 2.014 -4.676 6.259 1.00 0.00 C ATOM 1151 O ALA A 74 1.840 -5.689 6.906 1.00 0.00 O ATOM 1152 CB ALA A 74 4.228 -3.524 6.128 1.00 0.00 C ATOM 0 H ALA A 74 3.255 -2.965 3.917 1.00 0.00 H new ATOM 0 HA ALA A 74 3.757 -5.450 5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.494 -3.933 7.103 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.130 -3.396 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.741 -2.558 6.261 1.00 0.00 H new ATOM 1158 N PHE A 75 1.137 -3.711 6.261 1.00 0.00 N ATOM 1159 CA PHE A 75 -0.108 -3.844 7.069 1.00 0.00 C ATOM 1160 C PHE A 75 -0.924 -5.032 6.559 1.00 0.00 C ATOM 1161 O PHE A 75 -1.399 -5.847 7.324 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.939 -2.570 6.947 1.00 0.00 C ATOM 1163 CG PHE A 75 -2.105 -2.641 7.902 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.965 -2.171 9.213 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -3.325 -3.179 7.477 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -3.046 -2.241 10.100 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -4.406 -3.248 8.363 1.00 0.00 C ATOM 1168 CZ PHE A 75 -4.267 -2.779 9.675 1.00 0.00 C ATOM 0 H PHE A 75 1.228 -2.839 5.740 1.00 0.00 H new ATOM 0 HA PHE A 75 0.157 -4.005 8.114 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.324 -1.698 7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.298 -2.453 5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.024 -1.755 9.540 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.432 -3.541 6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.938 -1.880 11.112 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.348 -3.663 8.035 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.101 -2.832 10.359 1.00 0.00 H new ATOM 1178 N VAL A 76 -1.091 -5.136 5.270 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.871 -6.266 4.707 1.00 0.00 C ATOM 1180 C VAL A 76 -1.178 -7.579 5.069 1.00 0.00 C ATOM 1181 O VAL A 76 -1.809 -8.533 5.479 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.928 -6.114 3.191 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.693 -7.287 2.591 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.642 -4.808 2.838 1.00 0.00 C ATOM 0 H VAL A 76 -0.718 -4.482 4.582 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.883 -6.268 5.113 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.915 -6.097 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.734 -7.179 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.187 -8.219 2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.706 -7.304 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.684 -4.698 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.655 -4.827 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.097 -3.968 3.268 1.00 0.00 H new ATOM 1194 N VAL A 77 0.117 -7.632 4.927 1.00 0.00 N ATOM 1195 CA VAL A 77 0.851 -8.873 5.270 1.00 0.00 C ATOM 1196 C VAL A 77 0.762 -9.111 6.777 1.00 0.00 C ATOM 1197 O VAL A 77 0.538 -10.213 7.228 1.00 0.00 O ATOM 1198 CB VAL A 77 2.313 -8.714 4.858 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.123 -9.878 5.413 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.413 -8.706 3.330 1.00 0.00 C ATOM 0 H VAL A 77 0.697 -6.865 4.587 1.00 0.00 H new ATOM 0 HA VAL A 77 0.414 -9.723 4.746 1.00 0.00 H new ATOM 0 HB VAL A 77 2.704 -7.776 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.167 -9.767 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.050 -9.886 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.733 -10.815 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.456 -8.593 3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.024 -9.644 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.830 -7.875 2.932 1.00 0.00 H new ATOM 1210 N GLY A 78 0.931 -8.078 7.559 1.00 0.00 N ATOM 1211 CA GLY A 78 0.857 -8.235 9.041 1.00 0.00 C ATOM 1212 C GLY A 78 -0.501 -8.815 9.432 1.00 0.00 C ATOM 1213 O GLY A 78 -0.658 -9.400 10.486 1.00 0.00 O ATOM 0 H GLY A 78 1.118 -7.129 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.656 -8.891 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.004 -7.270 9.526 1.00 0.00 H new ATOM 1217 N ALA A 79 -1.487 -8.649 8.598 1.00 0.00 N ATOM 1218 CA ALA A 79 -2.839 -9.180 8.925 1.00 0.00 C ATOM 1219 C ALA A 79 -2.821 -10.712 8.938 1.00 0.00 C ATOM 1220 O ALA A 79 -3.596 -11.336 9.635 1.00 0.00 O ATOM 1221 CB ALA A 79 -3.842 -8.694 7.876 1.00 0.00 C ATOM 0 H ALA A 79 -1.416 -8.167 7.702 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.130 -8.821 9.912 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.833 -9.081 8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.869 -7.604 7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.539 -9.050 6.891 1.00 0.00 H new ATOM 1227 N THR A 80 -1.959 -11.326 8.167 1.00 0.00 N ATOM 1228 CA THR A 80 -1.920 -12.820 8.138 1.00 0.00 C ATOM 1229 C THR A 80 -0.491 -13.329 8.338 1.00 0.00 C ATOM 1230 O THR A 80 -0.276 -14.382 8.906 1.00 0.00 O ATOM 1231 CB THR A 80 -2.448 -13.307 6.787 1.00 0.00 C ATOM 1232 OG1 THR A 80 -1.438 -13.145 5.801 1.00 0.00 O ATOM 1233 CG2 THR A 80 -3.683 -12.491 6.397 1.00 0.00 C ATOM 0 H THR A 80 -1.284 -10.861 7.560 1.00 0.00 H new ATOM 0 HA THR A 80 -2.541 -13.205 8.947 1.00 0.00 H new ATOM 0 HB THR A 80 -2.720 -14.360 6.859 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.773 -13.458 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.059 -12.838 5.435 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.456 -12.616 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.414 -11.437 6.323 1.00 0.00 H new ATOM 1241 N THR A 81 0.484 -12.604 7.870 1.00 0.00 N ATOM 1242 CA THR A 81 1.894 -13.057 8.024 1.00 0.00 C ATOM 1243 C THR A 81 2.754 -11.900 8.546 1.00 0.00 C ATOM 1244 O THR A 81 2.450 -10.748 8.325 1.00 0.00 O ATOM 1245 CB THR A 81 2.418 -13.509 6.661 1.00 0.00 C ATOM 1246 OG1 THR A 81 1.603 -12.954 5.637 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.382 -15.036 6.572 1.00 0.00 C ATOM 0 H THR A 81 0.366 -11.714 7.386 1.00 0.00 H new ATOM 0 HA THR A 81 1.941 -13.884 8.733 1.00 0.00 H new ATOM 0 HB THR A 81 3.446 -13.168 6.537 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.937 -13.241 4.761 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.756 -15.353 5.599 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.007 -15.461 7.357 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.356 -15.384 6.697 1.00 0.00 H new