USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 608 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 2 GLN : amide:sc= -0.537! C(o=-0.31!,f=-3.6!) USER MOD Set 1.2: A 81 THR OG1 : rot 59:sc= 0.226! USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot 145:sc= -0.539 USER MOD Single : A 1 MET CE :methyl -151:sc= -0.289 (180deg=-1.59!) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.428 (180deg=-0.437) USER MOD Single : A 3 HIS : no HD1:sc= -2.67! X(o=-2.7!,f=-2.4) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0786 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.196 USER MOD Single : A 65 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-3.1!) USER MOD Single : A 80 THR OG1 : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.780 11.913 1.014 1.00 0.00 N ATOM 2 CA MET A 1 -1.380 11.182 2.249 1.00 0.00 C ATOM 3 C MET A 1 -2.498 11.283 3.286 1.00 0.00 C ATOM 4 O MET A 1 -2.254 11.375 4.473 1.00 0.00 O ATOM 5 CB MET A 1 -0.101 11.798 2.815 1.00 0.00 C ATOM 6 CG MET A 1 1.046 11.573 1.831 1.00 0.00 C ATOM 7 SD MET A 1 2.603 12.108 2.584 1.00 0.00 S ATOM 8 CE MET A 1 2.138 13.836 2.861 1.00 0.00 C ATOM 0 H1 MET A 1 -1.042 11.802 0.290 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.677 11.526 0.656 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.901 12.923 1.232 1.00 0.00 H new ATOM 0 HA MET A 1 -1.202 10.134 2.009 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.243 12.865 2.988 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.138 11.348 3.779 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.105 10.519 1.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.865 12.129 0.911 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.029 14.463 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.440 14.154 2.086 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.664 13.933 3.838 1.00 0.00 H new ATOM 20 N GLN A 2 -3.725 11.263 2.846 1.00 0.00 N ATOM 21 CA GLN A 2 -4.863 11.357 3.803 1.00 0.00 C ATOM 22 C GLN A 2 -4.779 10.195 4.795 1.00 0.00 C ATOM 23 O GLN A 2 -5.081 10.337 5.964 1.00 0.00 O ATOM 24 CB GLN A 2 -6.182 11.273 3.032 1.00 0.00 C ATOM 25 CG GLN A 2 -6.303 12.478 2.096 1.00 0.00 C ATOM 26 CD GLN A 2 -7.597 12.366 1.289 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.191 11.310 1.217 1.00 0.00 O ATOM 28 NE2 GLN A 2 -8.062 13.420 0.677 1.00 0.00 N ATOM 0 H GLN A 2 -3.989 11.186 1.864 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.816 12.304 4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.222 10.347 2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.021 11.253 3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.300 13.403 2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.445 12.519 1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.562 14.307 0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.925 13.357 0.138 1.00 0.00 H new ATOM 37 N HIS A 3 -4.363 9.048 4.334 1.00 0.00 N ATOM 38 CA HIS A 3 -4.248 7.870 5.238 1.00 0.00 C ATOM 39 C HIS A 3 -3.082 7.000 4.767 1.00 0.00 C ATOM 40 O HIS A 3 -3.081 5.796 4.931 1.00 0.00 O ATOM 41 CB HIS A 3 -5.547 7.060 5.192 1.00 0.00 C ATOM 42 CG HIS A 3 -6.089 6.899 6.586 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.459 5.663 7.096 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.330 7.808 7.587 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.899 5.860 8.354 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.840 7.147 8.699 1.00 0.00 N ATOM 0 H HIS A 3 -4.096 8.876 3.365 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.072 8.202 6.261 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.280 7.564 4.562 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.362 6.082 4.747 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.151 8.871 7.521 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.255 5.073 9.003 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.112 7.560 9.591 1.00 0.00 H new ATOM 55 N ALA A 4 -2.090 7.607 4.174 1.00 0.00 N ATOM 56 CA ALA A 4 -0.921 6.830 3.679 1.00 0.00 C ATOM 57 C ALA A 4 -0.242 6.108 4.843 1.00 0.00 C ATOM 58 O ALA A 4 0.306 5.035 4.682 1.00 0.00 O ATOM 59 CB ALA A 4 0.079 7.782 3.019 1.00 0.00 C ATOM 0 H ALA A 4 -2.040 8.613 4.011 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.263 6.093 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.936 7.215 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.400 8.291 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.415 8.520 3.748 1.00 0.00 H new ATOM 65 N SER A 5 -0.261 6.685 6.014 1.00 0.00 N ATOM 66 CA SER A 5 0.400 6.018 7.171 1.00 0.00 C ATOM 67 C SER A 5 -0.230 4.644 7.398 1.00 0.00 C ATOM 68 O SER A 5 0.452 3.678 7.675 1.00 0.00 O ATOM 69 CB SER A 5 0.226 6.876 8.424 1.00 0.00 C ATOM 70 OG SER A 5 -1.146 6.888 8.798 1.00 0.00 O ATOM 0 H SER A 5 -0.702 7.582 6.218 1.00 0.00 H new ATOM 0 HA SER A 5 1.463 5.897 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.833 6.479 9.238 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.572 7.892 8.234 1.00 0.00 H new ATOM 0 HG SER A 5 -1.261 7.436 9.602 1.00 0.00 H new ATOM 76 N VAL A 6 -1.523 4.541 7.264 1.00 0.00 N ATOM 77 CA VAL A 6 -2.178 3.218 7.453 1.00 0.00 C ATOM 78 C VAL A 6 -1.753 2.302 6.311 1.00 0.00 C ATOM 79 O VAL A 6 -1.510 1.129 6.496 1.00 0.00 O ATOM 80 CB VAL A 6 -3.695 3.380 7.445 1.00 0.00 C ATOM 81 CG1 VAL A 6 -4.358 2.001 7.433 1.00 0.00 C ATOM 82 CG2 VAL A 6 -4.132 4.144 8.697 1.00 0.00 C ATOM 0 H VAL A 6 -2.151 5.311 7.033 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.879 2.790 8.410 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.995 3.934 6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.442 2.118 7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.047 1.456 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.058 1.445 8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.216 4.260 8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.830 3.589 9.586 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.662 5.127 8.706 1.00 0.00 H new ATOM 92 N ILE A 7 -1.659 2.838 5.128 1.00 0.00 N ATOM 93 CA ILE A 7 -1.242 2.009 3.967 1.00 0.00 C ATOM 94 C ILE A 7 0.164 1.466 4.218 1.00 0.00 C ATOM 95 O ILE A 7 0.416 0.284 4.096 1.00 0.00 O ATOM 96 CB ILE A 7 -1.239 2.876 2.709 1.00 0.00 C ATOM 97 CG1 ILE A 7 -2.651 3.412 2.463 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.794 2.036 1.510 1.00 0.00 C ATOM 99 CD1 ILE A 7 -2.635 4.377 1.276 1.00 0.00 C ATOM 0 H ILE A 7 -1.853 3.816 4.915 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.935 1.178 3.835 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.549 3.710 2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.335 2.587 2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.018 3.922 3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.792 2.655 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.210 1.652 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.483 1.202 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.642 4.757 1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.965 5.209 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.287 3.853 0.386 1.00 0.00 H new ATOM 111 N ALA A 8 1.081 2.322 4.577 1.00 0.00 N ATOM 112 CA ALA A 8 2.470 1.858 4.851 1.00 0.00 C ATOM 113 C ALA A 8 2.458 0.925 6.059 1.00 0.00 C ATOM 114 O ALA A 8 3.035 -0.144 6.041 1.00 0.00 O ATOM 115 CB ALA A 8 3.363 3.065 5.144 1.00 0.00 C ATOM 0 H ALA A 8 0.928 3.324 4.692 1.00 0.00 H new ATOM 0 HA ALA A 8 2.858 1.326 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.379 2.726 5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.367 3.733 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.980 3.598 6.014 1.00 0.00 H new ATOM 121 N GLN A 9 1.797 1.323 7.107 1.00 0.00 N ATOM 122 CA GLN A 9 1.733 0.466 8.322 1.00 0.00 C ATOM 123 C GLN A 9 1.016 -0.839 7.980 1.00 0.00 C ATOM 124 O GLN A 9 1.438 -1.913 8.356 1.00 0.00 O ATOM 125 CB GLN A 9 0.949 1.203 9.411 1.00 0.00 C ATOM 126 CG GLN A 9 0.935 0.370 10.693 1.00 0.00 C ATOM 127 CD GLN A 9 -0.495 0.295 11.232 1.00 0.00 C ATOM 128 OE1 GLN A 9 -0.819 0.921 12.221 1.00 0.00 O ATOM 129 NE2 GLN A 9 -1.371 -0.448 10.611 1.00 0.00 N ATOM 0 H GLN A 9 1.296 2.209 7.175 1.00 0.00 H new ATOM 0 HA GLN A 9 2.741 0.248 8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.402 2.175 9.603 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.071 1.388 9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.314 -0.632 10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.594 0.817 11.438 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.097 -0.973 9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.329 -0.503 10.956 1.00 0.00 H new ATOM 138 N PHE A 10 -0.065 -0.743 7.266 1.00 0.00 N ATOM 139 CA PHE A 10 -0.831 -1.962 6.884 1.00 0.00 C ATOM 140 C PHE A 10 -0.012 -2.788 5.895 1.00 0.00 C ATOM 141 O PHE A 10 0.146 -3.984 6.041 1.00 0.00 O ATOM 142 CB PHE A 10 -2.140 -1.528 6.225 1.00 0.00 C ATOM 143 CG PHE A 10 -3.022 -2.727 5.990 1.00 0.00 C ATOM 144 CD1 PHE A 10 -3.023 -3.360 4.742 1.00 0.00 C ATOM 145 CD2 PHE A 10 -3.846 -3.201 7.017 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.849 -4.469 4.522 1.00 0.00 C ATOM 147 CE2 PHE A 10 -4.670 -4.309 6.797 1.00 0.00 C ATOM 148 CZ PHE A 10 -4.672 -4.943 5.549 1.00 0.00 C ATOM 0 H PHE A 10 -0.457 0.135 6.926 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.040 -2.565 7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.655 -0.807 6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.932 -1.028 5.279 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.387 -2.994 3.949 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.845 -2.711 7.979 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.851 -4.958 3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.305 -4.676 7.590 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.309 -5.798 5.379 1.00 0.00 H new ATOM 158 N VAL A 11 0.501 -2.151 4.883 1.00 0.00 N ATOM 159 CA VAL A 11 1.307 -2.879 3.863 1.00 0.00 C ATOM 160 C VAL A 11 2.609 -3.382 4.490 1.00 0.00 C ATOM 161 O VAL A 11 3.006 -4.514 4.294 1.00 0.00 O ATOM 162 CB VAL A 11 1.632 -1.924 2.713 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.524 -2.628 1.692 1.00 0.00 C ATOM 164 CG2 VAL A 11 0.331 -1.485 2.038 1.00 0.00 C ATOM 0 H VAL A 11 0.397 -1.150 4.716 1.00 0.00 H new ATOM 0 HA VAL A 11 0.739 -3.732 3.491 1.00 0.00 H new ATOM 0 HB VAL A 11 2.155 -1.052 3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.752 -1.943 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.451 -2.941 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.006 -3.503 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.558 -0.804 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.191 -2.360 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.303 -0.978 2.765 1.00 0.00 H new ATOM 174 N VAL A 12 3.276 -2.551 5.239 1.00 0.00 N ATOM 175 CA VAL A 12 4.553 -2.980 5.876 1.00 0.00 C ATOM 176 C VAL A 12 4.269 -4.113 6.863 1.00 0.00 C ATOM 177 O VAL A 12 5.036 -5.045 6.987 1.00 0.00 O ATOM 178 CB VAL A 12 5.179 -1.791 6.605 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.472 -2.228 7.293 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.492 -0.684 5.595 1.00 0.00 C ATOM 0 H VAL A 12 2.993 -1.592 5.439 1.00 0.00 H new ATOM 0 HA VAL A 12 5.247 -3.336 5.115 1.00 0.00 H new ATOM 0 HB VAL A 12 4.480 -1.419 7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.914 -1.377 7.811 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.253 -3.017 8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.173 -2.602 6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.939 0.165 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.189 -1.061 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.571 -0.367 5.105 1.00 0.00 H new ATOM 190 N GLU A 13 3.168 -4.040 7.559 1.00 0.00 N ATOM 191 CA GLU A 13 2.824 -5.109 8.540 1.00 0.00 C ATOM 192 C GLU A 13 2.791 -6.465 7.837 1.00 0.00 C ATOM 193 O GLU A 13 3.076 -7.489 8.426 1.00 0.00 O ATOM 194 CB GLU A 13 1.452 -4.823 9.146 1.00 0.00 C ATOM 195 CG GLU A 13 1.143 -5.857 10.225 1.00 0.00 C ATOM 196 CD GLU A 13 -0.274 -5.634 10.757 1.00 0.00 C ATOM 197 OE1 GLU A 13 -0.672 -6.364 11.650 1.00 0.00 O ATOM 198 OE2 GLU A 13 -0.936 -4.737 10.263 1.00 0.00 O ATOM 0 H GLU A 13 2.488 -3.282 7.490 1.00 0.00 H new ATOM 0 HA GLU A 13 3.577 -5.127 9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.434 -3.820 9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.687 -4.853 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.235 -6.863 9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.865 -5.776 11.038 1.00 0.00 H new ATOM 205 N GLU A 14 2.443 -6.483 6.582 1.00 0.00 N ATOM 206 CA GLU A 14 2.389 -7.774 5.845 1.00 0.00 C ATOM 207 C GLU A 14 3.800 -8.364 5.750 1.00 0.00 C ATOM 208 O GLU A 14 3.983 -9.565 5.760 1.00 0.00 O ATOM 209 CB GLU A 14 1.829 -7.530 4.443 1.00 0.00 C ATOM 210 CG GLU A 14 1.698 -8.863 3.708 1.00 0.00 C ATOM 211 CD GLU A 14 1.238 -8.612 2.271 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.058 -9.579 1.549 1.00 0.00 O ATOM 213 OE2 GLU A 14 1.075 -7.456 1.915 1.00 0.00 O ATOM 0 H GLU A 14 2.194 -5.659 6.035 1.00 0.00 H new ATOM 0 HA GLU A 14 1.743 -8.476 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.857 -7.041 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.486 -6.860 3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.654 -9.386 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.983 -9.505 4.223 1.00 0.00 H new ATOM 220 N PHE A 15 4.797 -7.527 5.674 1.00 0.00 N ATOM 221 CA PHE A 15 6.199 -8.032 5.597 1.00 0.00 C ATOM 222 C PHE A 15 7.127 -7.046 6.312 1.00 0.00 C ATOM 223 O PHE A 15 8.104 -6.586 5.757 1.00 0.00 O ATOM 224 CB PHE A 15 6.626 -8.171 4.132 1.00 0.00 C ATOM 225 CG PHE A 15 6.121 -6.992 3.337 1.00 0.00 C ATOM 226 CD1 PHE A 15 4.845 -7.034 2.765 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.924 -5.858 3.171 1.00 0.00 C ATOM 228 CE1 PHE A 15 4.371 -5.945 2.027 1.00 0.00 C ATOM 229 CE2 PHE A 15 6.452 -4.767 2.432 1.00 0.00 C ATOM 230 CZ PHE A 15 5.174 -4.810 1.861 1.00 0.00 C ATOM 0 H PHE A 15 4.702 -6.511 5.662 1.00 0.00 H new ATOM 0 HA PHE A 15 6.259 -9.009 6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.712 -8.228 4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.232 -9.098 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.225 -7.909 2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.909 -5.825 3.613 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.386 -5.979 1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.073 -3.893 2.302 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.808 -3.968 1.293 1.00 0.00 H new ATOM 240 N LEU A 16 6.823 -6.709 7.538 1.00 0.00 N ATOM 241 CA LEU A 16 7.679 -5.745 8.278 1.00 0.00 C ATOM 242 C LEU A 16 8.918 -6.459 8.840 1.00 0.00 C ATOM 243 O LEU A 16 8.819 -7.537 9.388 1.00 0.00 O ATOM 244 CB LEU A 16 6.868 -5.102 9.418 1.00 0.00 C ATOM 245 CG LEU A 16 6.828 -5.999 10.665 1.00 0.00 C ATOM 246 CD1 LEU A 16 6.094 -5.260 11.785 1.00 0.00 C ATOM 247 CD2 LEU A 16 6.077 -7.297 10.350 1.00 0.00 C ATOM 0 H LEU A 16 6.018 -7.062 8.056 1.00 0.00 H new ATOM 0 HA LEU A 16 8.012 -4.964 7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.306 -4.138 9.677 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.851 -4.908 9.077 1.00 0.00 H new ATOM 0 HG LEU A 16 7.847 -6.236 10.972 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.060 -5.889 12.675 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.620 -4.333 12.015 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.078 -5.030 11.464 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.053 -7.928 11.238 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.058 -7.062 10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.586 -7.825 9.544 1.00 0.00 H new ATOM 259 N PRO A 17 10.078 -5.859 8.728 1.00 0.00 N ATOM 260 CA PRO A 17 11.326 -6.460 9.266 1.00 0.00 C ATOM 261 C PRO A 17 11.340 -6.381 10.796 1.00 0.00 C ATOM 262 O PRO A 17 10.304 -6.340 11.429 1.00 0.00 O ATOM 263 CB PRO A 17 12.439 -5.600 8.657 1.00 0.00 C ATOM 264 CG PRO A 17 11.806 -4.279 8.376 1.00 0.00 C ATOM 265 CD PRO A 17 10.333 -4.554 8.089 1.00 0.00 C ATOM 0 HA PRO A 17 11.435 -7.516 9.018 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.277 -5.496 9.346 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.830 -6.051 7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.916 -3.608 9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.283 -3.794 7.524 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.694 -3.775 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.136 -4.590 7.018 1.00 0.00 H new ATOM 273 N ASP A 18 12.491 -6.345 11.397 1.00 0.00 N ATOM 274 CA ASP A 18 12.545 -6.253 12.878 1.00 0.00 C ATOM 275 C ASP A 18 12.270 -4.806 13.290 1.00 0.00 C ATOM 276 O ASP A 18 12.438 -4.429 14.433 1.00 0.00 O ATOM 277 CB ASP A 18 13.932 -6.671 13.359 1.00 0.00 C ATOM 278 CG ASP A 18 14.138 -8.163 13.093 1.00 0.00 C ATOM 279 OD1 ASP A 18 15.264 -8.616 13.213 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.166 -8.827 12.774 1.00 0.00 O ATOM 0 H ASP A 18 13.396 -6.375 10.928 1.00 0.00 H new ATOM 0 HA ASP A 18 11.799 -6.911 13.323 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.697 -6.090 12.844 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.037 -6.463 14.424 1.00 0.00 H new ATOM 285 N VAL A 19 11.856 -3.990 12.355 1.00 0.00 N ATOM 286 CA VAL A 19 11.574 -2.560 12.668 1.00 0.00 C ATOM 287 C VAL A 19 10.080 -2.277 12.506 1.00 0.00 C ATOM 288 O VAL A 19 9.462 -2.691 11.545 1.00 0.00 O ATOM 289 CB VAL A 19 12.351 -1.673 11.697 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.158 -0.205 12.077 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.839 -2.025 11.763 1.00 0.00 C ATOM 0 H VAL A 19 11.701 -4.256 11.383 1.00 0.00 H new ATOM 0 HA VAL A 19 11.875 -2.351 13.695 1.00 0.00 H new ATOM 0 HB VAL A 19 11.983 -1.836 10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.713 0.426 11.383 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.099 0.047 12.029 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.525 -0.040 13.090 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.394 -1.392 11.070 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.207 -1.863 12.776 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.978 -3.071 11.490 1.00 0.00 H new ATOM 301 N ALA A 20 9.496 -1.562 13.428 1.00 0.00 N ATOM 302 CA ALA A 20 8.047 -1.243 13.307 1.00 0.00 C ATOM 303 C ALA A 20 7.859 -0.251 12.147 1.00 0.00 C ATOM 304 O ALA A 20 8.677 0.627 11.954 1.00 0.00 O ATOM 305 CB ALA A 20 7.555 -0.603 14.607 1.00 0.00 C ATOM 0 H ALA A 20 9.958 -1.187 14.256 1.00 0.00 H new ATOM 0 HA ALA A 20 7.479 -2.154 13.118 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.494 -0.369 14.519 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.706 -1.297 15.434 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.114 0.314 14.796 1.00 0.00 H new ATOM 311 N PRO A 21 6.800 -0.370 11.377 1.00 0.00 N ATOM 312 CA PRO A 21 6.554 0.560 10.238 1.00 0.00 C ATOM 313 C PRO A 21 6.709 2.022 10.660 1.00 0.00 C ATOM 314 O PRO A 21 7.130 2.862 9.890 1.00 0.00 O ATOM 315 CB PRO A 21 5.106 0.282 9.834 1.00 0.00 C ATOM 316 CG PRO A 21 4.796 -1.093 10.328 1.00 0.00 C ATOM 317 CD PRO A 21 5.739 -1.387 11.496 1.00 0.00 C ATOM 0 HA PRO A 21 7.266 0.403 9.427 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.431 1.016 10.274 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.984 0.345 8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.756 -1.160 10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.932 -1.826 9.532 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.222 -1.311 12.453 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.147 -2.396 11.433 1.00 0.00 H new ATOM 325 N ALA A 22 6.380 2.327 11.882 1.00 0.00 N ATOM 326 CA ALA A 22 6.514 3.727 12.368 1.00 0.00 C ATOM 327 C ALA A 22 7.996 4.098 12.446 1.00 0.00 C ATOM 328 O ALA A 22 8.365 5.254 12.370 1.00 0.00 O ATOM 329 CB ALA A 22 5.888 3.840 13.758 1.00 0.00 C ATOM 0 H ALA A 22 6.022 1.664 12.569 1.00 0.00 H new ATOM 0 HA ALA A 22 6.005 4.404 11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.984 4.864 14.118 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.833 3.571 13.705 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.400 3.165 14.444 1.00 0.00 H new ATOM 335 N ASP A 23 8.848 3.122 12.599 1.00 0.00 N ATOM 336 CA ASP A 23 10.308 3.404 12.687 1.00 0.00 C ATOM 337 C ASP A 23 10.977 3.011 11.372 1.00 0.00 C ATOM 338 O ASP A 23 12.184 3.043 11.242 1.00 0.00 O ATOM 339 CB ASP A 23 10.918 2.594 13.833 1.00 0.00 C ATOM 340 CG ASP A 23 10.356 3.091 15.165 1.00 0.00 C ATOM 341 OD1 ASP A 23 9.752 4.152 15.173 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.540 2.404 16.156 1.00 0.00 O ATOM 0 H ASP A 23 8.594 2.136 12.667 1.00 0.00 H new ATOM 0 HA ASP A 23 10.464 4.467 12.874 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.693 1.535 13.704 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.003 2.693 13.825 1.00 0.00 H new ATOM 347 N VAL A 24 10.200 2.642 10.392 1.00 0.00 N ATOM 348 CA VAL A 24 10.787 2.251 9.083 1.00 0.00 C ATOM 349 C VAL A 24 10.743 3.455 8.146 1.00 0.00 C ATOM 350 O VAL A 24 9.815 4.239 8.173 1.00 0.00 O ATOM 351 CB VAL A 24 9.986 1.090 8.485 1.00 0.00 C ATOM 352 CG1 VAL A 24 8.904 1.632 7.546 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.927 0.175 7.698 1.00 0.00 C ATOM 0 H VAL A 24 9.182 2.595 10.443 1.00 0.00 H new ATOM 0 HA VAL A 24 11.820 1.930 9.218 1.00 0.00 H new ATOM 0 HB VAL A 24 9.514 0.528 9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.338 0.801 7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.231 2.283 8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.372 2.198 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.359 -0.652 7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.399 0.742 6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.694 -0.218 8.365 1.00 0.00 H new ATOM 363 N ASP A 25 11.741 3.622 7.328 1.00 0.00 N ATOM 364 CA ASP A 25 11.745 4.788 6.407 1.00 0.00 C ATOM 365 C ASP A 25 10.709 4.567 5.305 1.00 0.00 C ATOM 366 O ASP A 25 10.993 3.978 4.280 1.00 0.00 O ATOM 367 CB ASP A 25 13.133 4.940 5.782 1.00 0.00 C ATOM 368 CG ASP A 25 13.202 6.256 5.005 1.00 0.00 C ATOM 369 OD1 ASP A 25 12.308 7.069 5.177 1.00 0.00 O ATOM 370 OD2 ASP A 25 14.145 6.428 4.251 1.00 0.00 O ATOM 0 H ASP A 25 12.550 3.005 7.257 1.00 0.00 H new ATOM 0 HA ASP A 25 11.498 5.693 6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.897 4.924 6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.338 4.101 5.116 1.00 0.00 H new ATOM 375 N VAL A 26 9.508 5.040 5.505 1.00 0.00 N ATOM 376 CA VAL A 26 8.454 4.858 4.465 1.00 0.00 C ATOM 377 C VAL A 26 8.872 5.583 3.184 1.00 0.00 C ATOM 378 O VAL A 26 8.123 5.658 2.229 1.00 0.00 O ATOM 379 CB VAL A 26 7.135 5.442 4.974 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.775 4.797 6.313 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.287 6.952 5.161 1.00 0.00 C ATOM 0 H VAL A 26 9.212 5.543 6.341 1.00 0.00 H new ATOM 0 HA VAL A 26 8.326 3.796 4.256 1.00 0.00 H new ATOM 0 HB VAL A 26 6.345 5.242 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.835 5.213 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.669 3.720 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.564 4.998 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.348 7.370 5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.077 7.151 5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.545 7.413 4.207 1.00 0.00 H new ATOM 391 N ASP A 27 10.067 6.106 3.149 1.00 0.00 N ATOM 392 CA ASP A 27 10.539 6.813 1.925 1.00 0.00 C ATOM 393 C ASP A 27 11.352 5.835 1.076 1.00 0.00 C ATOM 394 O ASP A 27 11.997 6.212 0.117 1.00 0.00 O ATOM 395 CB ASP A 27 11.419 8.001 2.323 1.00 0.00 C ATOM 396 CG ASP A 27 10.575 9.035 3.070 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.157 9.919 3.677 1.00 0.00 O ATOM 398 OD2 ASP A 27 9.360 8.926 3.022 1.00 0.00 O ATOM 0 H ASP A 27 10.738 6.074 3.917 1.00 0.00 H new ATOM 0 HA ASP A 27 9.684 7.179 1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.241 7.663 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.863 8.451 1.435 1.00 0.00 H new ATOM 403 N LEU A 28 11.328 4.580 1.430 1.00 0.00 N ATOM 404 CA LEU A 28 12.097 3.564 0.659 1.00 0.00 C ATOM 405 C LEU A 28 11.220 2.994 -0.451 1.00 0.00 C ATOM 406 O LEU A 28 10.070 2.664 -0.239 1.00 0.00 O ATOM 407 CB LEU A 28 12.519 2.432 1.596 1.00 0.00 C ATOM 408 CG LEU A 28 13.424 1.443 0.854 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.865 1.956 0.862 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.364 0.081 1.551 1.00 0.00 C ATOM 0 H LEU A 28 10.805 4.213 2.225 1.00 0.00 H new ATOM 0 HA LEU A 28 12.980 4.032 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.045 2.841 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.637 1.916 1.975 1.00 0.00 H new ATOM 0 HG LEU A 28 13.083 1.343 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.505 1.250 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.909 2.926 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.209 2.058 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.007 -0.625 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.704 0.184 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.338 -0.287 1.543 1.00 0.00 H new ATOM 422 N ASP A 29 11.757 2.860 -1.629 1.00 0.00 N ATOM 423 CA ASP A 29 10.951 2.294 -2.738 1.00 0.00 C ATOM 424 C ASP A 29 10.596 0.852 -2.384 1.00 0.00 C ATOM 425 O ASP A 29 11.460 0.034 -2.139 1.00 0.00 O ATOM 426 CB ASP A 29 11.765 2.325 -4.033 1.00 0.00 C ATOM 427 CG ASP A 29 12.019 3.776 -4.441 1.00 0.00 C ATOM 428 OD1 ASP A 29 11.335 4.645 -3.926 1.00 0.00 O ATOM 429 OD2 ASP A 29 12.897 3.996 -5.259 1.00 0.00 O ATOM 0 H ASP A 29 12.714 3.117 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 29 10.042 2.879 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.712 1.805 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.229 1.802 -4.825 1.00 0.00 H new ATOM 434 N LEU A 30 9.334 0.538 -2.333 1.00 0.00 N ATOM 435 CA LEU A 30 8.933 -0.847 -1.970 1.00 0.00 C ATOM 436 C LEU A 30 9.167 -1.789 -3.155 1.00 0.00 C ATOM 437 O LEU A 30 8.776 -2.939 -3.125 1.00 0.00 O ATOM 438 CB LEU A 30 7.453 -0.863 -1.583 1.00 0.00 C ATOM 439 CG LEU A 30 6.615 -0.323 -2.742 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.450 -1.274 -3.018 1.00 0.00 C ATOM 441 CD2 LEU A 30 6.069 1.056 -2.374 1.00 0.00 C ATOM 0 H LEU A 30 8.564 1.179 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 30 9.534 -1.185 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.142 -1.878 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.293 -0.256 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 30 7.237 -0.244 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.853 -0.888 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.838 -2.258 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.827 -1.354 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.471 1.443 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.447 0.975 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.899 1.735 -2.178 1.00 0.00 H new ATOM 453 N VAL A 31 9.799 -1.319 -4.197 1.00 0.00 N ATOM 454 CA VAL A 31 10.043 -2.210 -5.367 1.00 0.00 C ATOM 455 C VAL A 31 10.735 -3.478 -4.878 1.00 0.00 C ATOM 456 O VAL A 31 10.392 -4.576 -5.269 1.00 0.00 O ATOM 457 CB VAL A 31 10.936 -1.499 -6.388 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.374 -2.493 -7.463 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.162 -0.351 -7.044 1.00 0.00 C ATOM 0 H VAL A 31 10.153 -0.367 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 31 9.095 -2.460 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 31 11.813 -1.099 -5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.010 -1.987 -8.190 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.930 -3.308 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.495 -2.894 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.802 0.151 -7.769 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.282 -0.748 -7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.851 0.361 -6.280 1.00 0.00 H new ATOM 469 N ASP A 32 11.689 -3.339 -4.004 1.00 0.00 N ATOM 470 CA ASP A 32 12.375 -4.546 -3.469 1.00 0.00 C ATOM 471 C ASP A 32 11.306 -5.462 -2.878 1.00 0.00 C ATOM 472 O ASP A 32 11.381 -6.671 -2.965 1.00 0.00 O ATOM 473 CB ASP A 32 13.369 -4.139 -2.379 1.00 0.00 C ATOM 474 CG ASP A 32 14.218 -5.348 -1.985 1.00 0.00 C ATOM 475 OD1 ASP A 32 15.032 -5.209 -1.087 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.040 -6.394 -2.588 1.00 0.00 O ATOM 0 H ASP A 32 12.023 -2.447 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 32 12.923 -5.057 -4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.009 -3.333 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.835 -3.757 -1.509 1.00 0.00 H new ATOM 481 N ASN A 33 10.298 -4.876 -2.294 1.00 0.00 N ATOM 482 CA ASN A 33 9.190 -5.675 -1.707 1.00 0.00 C ATOM 483 C ASN A 33 8.182 -5.990 -2.810 1.00 0.00 C ATOM 484 O ASN A 33 7.060 -6.378 -2.551 1.00 0.00 O ATOM 485 CB ASN A 33 8.508 -4.871 -0.603 1.00 0.00 C ATOM 486 CG ASN A 33 9.531 -4.515 0.475 1.00 0.00 C ATOM 487 OD1 ASN A 33 9.955 -3.286 0.571 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 9.955 -5.366 1.232 1.00 0.00 N flip ATOM 0 H ASN A 33 10.195 -3.866 -2.198 1.00 0.00 H new ATOM 0 HA ASN A 33 9.580 -6.600 -1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.070 -3.963 -1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.692 -5.449 -0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.623 -6.327 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.643 -5.119 1.943 1.00 0.00 H new ATOM 495 N GLY A 34 8.578 -5.808 -4.043 1.00 0.00 N ATOM 496 CA GLY A 34 7.657 -6.081 -5.183 1.00 0.00 C ATOM 497 C GLY A 34 6.893 -7.378 -4.927 1.00 0.00 C ATOM 498 O GLY A 34 5.894 -7.656 -5.556 1.00 0.00 O ATOM 0 H GLY A 34 9.506 -5.480 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.958 -5.254 -5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.224 -6.158 -6.111 1.00 0.00 H new ATOM 502 N VAL A 35 7.343 -8.171 -3.998 1.00 0.00 N ATOM 503 CA VAL A 35 6.624 -9.439 -3.703 1.00 0.00 C ATOM 504 C VAL A 35 5.147 -9.118 -3.471 1.00 0.00 C ATOM 505 O VAL A 35 4.268 -9.866 -3.854 1.00 0.00 O ATOM 506 CB VAL A 35 7.212 -10.074 -2.441 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.309 -11.213 -1.968 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.606 -10.625 -2.749 1.00 0.00 C ATOM 0 H VAL A 35 8.174 -7.997 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 35 6.729 -10.133 -4.537 1.00 0.00 H new ATOM 0 HB VAL A 35 7.282 -9.319 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.731 -11.663 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.316 -10.822 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.235 -11.968 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.025 -11.077 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.534 -11.377 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.253 -9.813 -3.082 1.00 0.00 H new ATOM 518 N ILE A 36 4.871 -8.010 -2.840 1.00 0.00 N ATOM 519 CA ILE A 36 3.457 -7.629 -2.571 1.00 0.00 C ATOM 520 C ILE A 36 2.757 -7.225 -3.869 1.00 0.00 C ATOM 521 O ILE A 36 1.551 -7.282 -3.980 1.00 0.00 O ATOM 522 CB ILE A 36 3.434 -6.426 -1.633 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.084 -6.367 -0.923 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.631 -5.148 -2.450 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.914 -5.006 -0.246 1.00 0.00 C ATOM 0 H ILE A 36 5.568 -7.349 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 36 2.946 -8.483 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 36 4.232 -6.518 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.279 -6.530 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.018 -7.163 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.615 -4.285 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.590 -5.191 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.828 -5.057 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.949 -4.969 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.711 -4.860 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.961 -4.218 -0.997 1.00 0.00 H new ATOM 537 N ASP A 37 3.502 -6.784 -4.834 1.00 0.00 N ATOM 538 CA ASP A 37 2.881 -6.337 -6.115 1.00 0.00 C ATOM 539 C ASP A 37 2.066 -7.464 -6.752 1.00 0.00 C ATOM 540 O ASP A 37 1.067 -7.217 -7.397 1.00 0.00 O ATOM 541 CB ASP A 37 3.973 -5.891 -7.089 1.00 0.00 C ATOM 542 CG ASP A 37 4.677 -4.651 -6.536 1.00 0.00 C ATOM 543 OD1 ASP A 37 5.729 -4.311 -7.052 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.152 -4.061 -5.606 1.00 0.00 O ATOM 0 H ASP A 37 4.519 -6.711 -4.797 1.00 0.00 H new ATOM 0 HA ASP A 37 2.213 -5.504 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.694 -6.695 -7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.537 -5.670 -8.064 1.00 0.00 H new ATOM 549 N SER A 38 2.490 -8.691 -6.613 1.00 0.00 N ATOM 550 CA SER A 38 1.736 -9.807 -7.251 1.00 0.00 C ATOM 551 C SER A 38 0.949 -10.620 -6.216 1.00 0.00 C ATOM 552 O SER A 38 -0.261 -10.681 -6.262 1.00 0.00 O ATOM 553 CB SER A 38 2.720 -10.722 -7.981 1.00 0.00 C ATOM 554 OG SER A 38 2.155 -11.116 -9.237 1.00 0.00 O ATOM 0 H SER A 38 3.320 -8.967 -6.089 1.00 0.00 H new ATOM 0 HA SER A 38 1.021 -9.380 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.666 -10.205 -8.141 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.936 -11.601 -7.374 1.00 0.00 H new ATOM 0 HG SER A 38 2.783 -11.701 -9.709 1.00 0.00 H new ATOM 559 N LEU A 39 1.620 -11.274 -5.309 1.00 0.00 N ATOM 560 CA LEU A 39 0.888 -12.111 -4.311 1.00 0.00 C ATOM 561 C LEU A 39 0.156 -11.240 -3.289 1.00 0.00 C ATOM 562 O LEU A 39 -1.025 -11.402 -3.054 1.00 0.00 O ATOM 563 CB LEU A 39 1.877 -13.017 -3.577 1.00 0.00 C ATOM 564 CG LEU A 39 2.213 -14.237 -4.440 1.00 0.00 C ATOM 565 CD1 LEU A 39 0.971 -15.118 -4.598 1.00 0.00 C ATOM 566 CD2 LEU A 39 2.692 -13.777 -5.817 1.00 0.00 C ATOM 0 H LEU A 39 2.636 -11.267 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 39 0.153 -12.711 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.787 -12.463 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.451 -13.340 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 39 3.002 -14.811 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.215 -15.984 -5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.635 -15.453 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.177 -14.545 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.930 -14.647 -6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.906 -13.198 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.582 -13.158 -5.705 1.00 0.00 H new ATOM 578 N GLY A 40 0.844 -10.328 -2.670 1.00 0.00 N ATOM 579 CA GLY A 40 0.188 -9.459 -1.654 1.00 0.00 C ATOM 580 C GLY A 40 -0.851 -8.564 -2.324 1.00 0.00 C ATOM 581 O GLY A 40 -1.885 -8.266 -1.762 1.00 0.00 O ATOM 0 H GLY A 40 1.836 -10.144 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.288 -10.074 -0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.936 -8.847 -1.150 1.00 0.00 H new ATOM 585 N LEU A 41 -0.575 -8.119 -3.516 1.00 0.00 N ATOM 586 CA LEU A 41 -1.537 -7.228 -4.215 1.00 0.00 C ATOM 587 C LEU A 41 -2.882 -7.938 -4.336 1.00 0.00 C ATOM 588 O LEU A 41 -3.920 -7.360 -4.089 1.00 0.00 O ATOM 589 CB LEU A 41 -0.998 -6.905 -5.609 1.00 0.00 C ATOM 590 CG LEU A 41 -1.892 -5.866 -6.287 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.455 -4.467 -5.861 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.765 -5.999 -7.807 1.00 0.00 C ATOM 0 H LEU A 41 0.276 -8.334 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.665 -6.304 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.022 -6.527 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.959 -7.812 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.929 -6.029 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.091 -3.725 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.543 -4.372 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.419 -4.304 -6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.402 -5.259 -8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.729 -5.834 -8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.074 -6.999 -8.112 1.00 0.00 H new ATOM 604 N LEU A 42 -2.875 -9.187 -4.696 1.00 0.00 N ATOM 605 CA LEU A 42 -4.161 -9.924 -4.811 1.00 0.00 C ATOM 606 C LEU A 42 -4.815 -9.999 -3.434 1.00 0.00 C ATOM 607 O LEU A 42 -6.008 -9.822 -3.290 1.00 0.00 O ATOM 608 CB LEU A 42 -3.894 -11.337 -5.328 1.00 0.00 C ATOM 609 CG LEU A 42 -3.361 -11.273 -6.755 1.00 0.00 C ATOM 610 CD1 LEU A 42 -3.022 -12.684 -7.235 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.431 -10.673 -7.661 1.00 0.00 C ATOM 0 H LEU A 42 -2.039 -9.729 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.823 -9.406 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.173 -11.840 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.812 -11.924 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.464 -10.655 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.641 -12.639 -8.255 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.264 -13.118 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.919 -13.302 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.056 -10.624 -8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.324 -11.297 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.678 -9.669 -7.317 1.00 0.00 H new ATOM 623 N LYS A 43 -4.039 -10.255 -2.419 1.00 0.00 N ATOM 624 CA LYS A 43 -4.607 -10.334 -1.051 1.00 0.00 C ATOM 625 C LYS A 43 -5.163 -8.966 -0.648 1.00 0.00 C ATOM 626 O LYS A 43 -6.172 -8.866 0.020 1.00 0.00 O ATOM 627 CB LYS A 43 -3.510 -10.748 -0.075 1.00 0.00 C ATOM 628 CG LYS A 43 -3.041 -12.167 -0.403 1.00 0.00 C ATOM 629 CD LYS A 43 -2.016 -12.618 0.640 1.00 0.00 C ATOM 630 CE LYS A 43 -1.455 -13.986 0.246 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.283 -14.308 1.108 1.00 0.00 N ATOM 0 H LYS A 43 -3.033 -10.413 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.411 -11.069 -1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.672 -10.054 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.884 -10.705 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.891 -12.850 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.599 -12.195 -1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.209 -11.889 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.483 -12.674 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.223 -14.752 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.158 -13.981 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.099 -15.238 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.451 -13.582 0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.580 -14.329 2.104 1.00 0.00 H new ATOM 645 N VAL A 44 -4.502 -7.911 -1.044 1.00 0.00 N ATOM 646 CA VAL A 44 -4.980 -6.546 -0.679 1.00 0.00 C ATOM 647 C VAL A 44 -6.358 -6.288 -1.289 1.00 0.00 C ATOM 648 O VAL A 44 -7.252 -5.790 -0.636 1.00 0.00 O ATOM 649 CB VAL A 44 -3.993 -5.507 -1.207 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.563 -4.105 -0.991 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.667 -5.641 -0.456 1.00 0.00 C ATOM 0 H VAL A 44 -3.651 -7.936 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.052 -6.474 0.406 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.827 -5.669 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.858 -3.364 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.509 -4.011 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.729 -3.940 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.960 -4.901 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.834 -5.477 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.261 -6.641 -0.610 1.00 0.00 H new ATOM 661 N ILE A 45 -6.538 -6.618 -2.537 1.00 0.00 N ATOM 662 CA ILE A 45 -7.854 -6.387 -3.184 1.00 0.00 C ATOM 663 C ILE A 45 -8.936 -7.193 -2.462 1.00 0.00 C ATOM 664 O ILE A 45 -10.015 -6.703 -2.196 1.00 0.00 O ATOM 665 CB ILE A 45 -7.778 -6.830 -4.645 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.685 -6.044 -5.385 1.00 0.00 C ATOM 667 CG2 ILE A 45 -9.121 -6.581 -5.313 1.00 0.00 C ATOM 668 CD1 ILE A 45 -6.896 -4.540 -5.191 1.00 0.00 C ATOM 0 H ILE A 45 -5.828 -7.038 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.104 -5.327 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.534 -7.892 -4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.703 -6.332 -5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.706 -6.288 -6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.073 -6.895 -6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.895 -7.150 -4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.360 -5.519 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.116 -3.992 -5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.871 -4.255 -5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.851 -4.300 -4.129 1.00 0.00 H new ATOM 680 N ALA A 46 -8.658 -8.428 -2.148 1.00 0.00 N ATOM 681 CA ALA A 46 -9.674 -9.264 -1.449 1.00 0.00 C ATOM 682 C ALA A 46 -9.950 -8.688 -0.058 1.00 0.00 C ATOM 683 O ALA A 46 -11.081 -8.593 0.373 1.00 0.00 O ATOM 684 CB ALA A 46 -9.139 -10.689 -1.308 1.00 0.00 C ATOM 0 H ALA A 46 -7.772 -8.894 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.599 -9.270 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.878 -11.306 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.942 -11.103 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.215 -10.675 -0.729 1.00 0.00 H new ATOM 690 N TRP A 47 -8.921 -8.307 0.646 1.00 0.00 N ATOM 691 CA TRP A 47 -9.114 -7.739 2.008 1.00 0.00 C ATOM 692 C TRP A 47 -9.686 -6.324 1.903 1.00 0.00 C ATOM 693 O TRP A 47 -10.523 -5.922 2.686 1.00 0.00 O ATOM 694 CB TRP A 47 -7.765 -7.706 2.729 1.00 0.00 C ATOM 695 CG TRP A 47 -7.730 -6.565 3.693 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.165 -6.611 4.973 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.236 -5.215 3.474 1.00 0.00 C ATOM 698 NE1 TRP A 47 -7.966 -5.371 5.555 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.396 -4.477 4.669 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.670 -4.567 2.364 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.006 -3.140 4.758 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.277 -3.224 2.450 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.444 -2.512 3.643 1.00 0.00 C ATOM 0 H TRP A 47 -7.951 -8.365 0.335 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.813 -8.358 2.570 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.603 -8.645 3.258 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.958 -7.605 2.004 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.596 -7.473 5.460 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.210 -5.145 6.519 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.537 -5.107 1.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.137 -2.595 5.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.843 -2.736 1.590 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.139 -1.478 3.702 1.00 0.00 H new ATOM 714 N LEU A 48 -9.234 -5.561 0.946 1.00 0.00 N ATOM 715 CA LEU A 48 -9.742 -4.170 0.793 1.00 0.00 C ATOM 716 C LEU A 48 -11.256 -4.190 0.560 1.00 0.00 C ATOM 717 O LEU A 48 -11.990 -3.409 1.131 1.00 0.00 O ATOM 718 CB LEU A 48 -9.053 -3.519 -0.407 1.00 0.00 C ATOM 719 CG LEU A 48 -9.430 -2.044 -0.480 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.766 -1.291 0.671 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.952 -1.465 -1.812 1.00 0.00 C ATOM 0 H LEU A 48 -8.532 -5.843 0.261 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.528 -3.603 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.972 -3.624 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.348 -4.025 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.512 -1.939 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.035 -0.236 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.105 -1.706 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.683 -1.393 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.220 -0.410 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.869 -1.569 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.425 -2.003 -2.633 1.00 0.00 H new ATOM 733 N GLU A 49 -11.728 -5.080 -0.270 1.00 0.00 N ATOM 734 CA GLU A 49 -13.195 -5.148 -0.532 1.00 0.00 C ATOM 735 C GLU A 49 -13.934 -5.558 0.742 1.00 0.00 C ATOM 736 O GLU A 49 -15.025 -5.102 1.007 1.00 0.00 O ATOM 737 CB GLU A 49 -13.470 -6.159 -1.654 1.00 0.00 C ATOM 738 CG GLU A 49 -14.959 -6.504 -1.699 1.00 0.00 C ATOM 739 CD GLU A 49 -15.241 -7.389 -2.915 1.00 0.00 C ATOM 740 OE1 GLU A 49 -16.400 -7.697 -3.142 1.00 0.00 O ATOM 741 OE2 GLU A 49 -14.295 -7.743 -3.597 1.00 0.00 O ATOM 0 H GLU A 49 -11.163 -5.762 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.553 -4.166 -0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.156 -5.745 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.884 -7.064 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.251 -7.020 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.553 -5.592 -1.754 1.00 0.00 H new ATOM 748 N ASP A 50 -13.359 -6.417 1.529 1.00 0.00 N ATOM 749 CA ASP A 50 -14.048 -6.849 2.775 1.00 0.00 C ATOM 750 C ASP A 50 -14.293 -5.643 3.687 1.00 0.00 C ATOM 751 O ASP A 50 -15.316 -5.544 4.336 1.00 0.00 O ATOM 752 CB ASP A 50 -13.180 -7.871 3.507 1.00 0.00 C ATOM 753 CG ASP A 50 -13.965 -8.464 4.677 1.00 0.00 C ATOM 754 OD1 ASP A 50 -13.803 -7.976 5.783 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.716 -9.399 4.448 1.00 0.00 O ATOM 0 H ASP A 50 -12.445 -6.839 1.366 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.006 -7.298 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.875 -8.662 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.269 -7.396 3.871 1.00 0.00 H new ATOM 760 N ARG A 51 -13.356 -4.738 3.762 1.00 0.00 N ATOM 761 CA ARG A 51 -13.527 -3.557 4.655 1.00 0.00 C ATOM 762 C ARG A 51 -14.517 -2.536 4.078 1.00 0.00 C ATOM 763 O ARG A 51 -15.343 -2.006 4.794 1.00 0.00 O ATOM 764 CB ARG A 51 -12.172 -2.880 4.857 1.00 0.00 C ATOM 765 CG ARG A 51 -11.263 -3.789 5.684 1.00 0.00 C ATOM 766 CD ARG A 51 -9.980 -3.035 6.045 1.00 0.00 C ATOM 767 NE ARG A 51 -10.309 -1.908 6.963 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.410 -1.458 7.797 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.703 -0.473 8.601 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.220 -1.992 7.828 1.00 0.00 N ATOM 0 H ARG A 51 -12.478 -4.765 3.243 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.928 -3.913 5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.712 -2.670 3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.304 -1.923 5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.777 -4.108 6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.022 -4.690 5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.270 -3.711 6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.502 -2.655 5.142 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.238 -1.487 6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.633 -0.055 8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.002 -0.121 9.253 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.990 -2.762 7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.519 -1.639 8.480 1.00 0.00 H new ATOM 784 N PHE A 52 -14.429 -2.221 2.809 1.00 0.00 N ATOM 785 CA PHE A 52 -15.351 -1.200 2.233 1.00 0.00 C ATOM 786 C PHE A 52 -16.395 -1.845 1.317 1.00 0.00 C ATOM 787 O PHE A 52 -17.308 -1.190 0.855 1.00 0.00 O ATOM 788 CB PHE A 52 -14.523 -0.199 1.430 1.00 0.00 C ATOM 789 CG PHE A 52 -13.645 0.596 2.366 1.00 0.00 C ATOM 790 CD1 PHE A 52 -14.155 1.730 3.009 1.00 0.00 C ATOM 791 CD2 PHE A 52 -12.321 0.200 2.591 1.00 0.00 C ATOM 792 CE1 PHE A 52 -13.342 2.468 3.877 1.00 0.00 C ATOM 793 CE2 PHE A 52 -11.508 0.938 3.459 1.00 0.00 C ATOM 794 CZ PHE A 52 -12.018 2.073 4.102 1.00 0.00 C ATOM 0 H PHE A 52 -13.762 -2.625 2.152 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.879 -0.703 3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.910 -0.723 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -15.180 0.470 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.176 2.036 2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.927 -0.675 2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.736 3.342 4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.487 0.632 3.633 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.390 2.643 4.771 1.00 0.00 H new ATOM 804 N GLY A 53 -16.276 -3.111 1.042 1.00 0.00 N ATOM 805 CA GLY A 53 -17.279 -3.765 0.150 1.00 0.00 C ATOM 806 C GLY A 53 -17.114 -3.226 -1.273 1.00 0.00 C ATOM 807 O GLY A 53 -18.067 -3.111 -2.018 1.00 0.00 O ATOM 0 H GLY A 53 -15.536 -3.720 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.142 -4.846 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -18.288 -3.568 0.512 1.00 0.00 H new ATOM 811 N ILE A 54 -15.912 -2.889 -1.654 1.00 0.00 N ATOM 812 CA ILE A 54 -15.684 -2.347 -3.027 1.00 0.00 C ATOM 813 C ILE A 54 -15.356 -3.491 -3.989 1.00 0.00 C ATOM 814 O ILE A 54 -14.836 -4.514 -3.601 1.00 0.00 O ATOM 815 CB ILE A 54 -14.520 -1.357 -2.995 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.870 -0.199 -2.060 1.00 0.00 C ATOM 817 CG2 ILE A 54 -14.270 -0.816 -4.403 1.00 0.00 C ATOM 818 CD1 ILE A 54 -13.623 0.649 -1.808 1.00 0.00 C ATOM 0 H ILE A 54 -15.076 -2.965 -1.074 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.586 -1.840 -3.368 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.622 -1.860 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.656 0.414 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.258 -0.584 -1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.440 -0.110 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.026 -1.641 -5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -15.166 -0.310 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.873 1.474 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.851 0.032 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.255 1.046 -2.754 1.00 0.00 H new ATOM 830 N ALA A 55 -15.661 -3.326 -5.245 1.00 0.00 N ATOM 831 CA ALA A 55 -15.372 -4.408 -6.226 1.00 0.00 C ATOM 832 C ALA A 55 -13.870 -4.682 -6.236 1.00 0.00 C ATOM 833 O ALA A 55 -13.068 -3.811 -5.959 1.00 0.00 O ATOM 834 CB ALA A 55 -15.822 -3.968 -7.620 1.00 0.00 C ATOM 0 H ALA A 55 -16.097 -2.490 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.909 -5.314 -5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.610 -4.761 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.893 -3.765 -7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.284 -3.065 -7.908 1.00 0.00 H new ATOM 840 N ALA A 56 -13.481 -5.891 -6.529 1.00 0.00 N ATOM 841 CA ALA A 56 -12.031 -6.220 -6.529 1.00 0.00 C ATOM 842 C ALA A 56 -11.281 -5.275 -7.469 1.00 0.00 C ATOM 843 O ALA A 56 -10.198 -4.817 -7.165 1.00 0.00 O ATOM 844 CB ALA A 56 -11.834 -7.664 -6.992 1.00 0.00 C ATOM 0 H ALA A 56 -14.103 -6.663 -6.768 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.639 -6.104 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.771 -7.904 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.359 -8.338 -6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.232 -7.780 -8.000 1.00 0.00 H new ATOM 850 N ASP A 57 -11.847 -4.970 -8.603 1.00 0.00 N ATOM 851 CA ASP A 57 -11.157 -4.047 -9.546 1.00 0.00 C ATOM 852 C ASP A 57 -9.723 -4.532 -9.766 1.00 0.00 C ATOM 853 O ASP A 57 -8.777 -3.778 -9.651 1.00 0.00 O ATOM 854 CB ASP A 57 -11.134 -2.638 -8.956 1.00 0.00 C ATOM 855 CG ASP A 57 -12.563 -2.105 -8.848 1.00 0.00 C ATOM 856 OD1 ASP A 57 -13.444 -2.701 -9.447 1.00 0.00 O ATOM 857 OD2 ASP A 57 -12.754 -1.110 -8.168 1.00 0.00 O ATOM 0 H ASP A 57 -12.753 -5.318 -8.917 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.688 -4.031 -10.498 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.665 -2.652 -7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.536 -1.979 -9.585 1.00 0.00 H new ATOM 862 N ASP A 58 -9.552 -5.790 -10.070 1.00 0.00 N ATOM 863 CA ASP A 58 -8.175 -6.323 -10.281 1.00 0.00 C ATOM 864 C ASP A 58 -7.634 -5.849 -11.632 1.00 0.00 C ATOM 865 O ASP A 58 -8.152 -6.193 -12.676 1.00 0.00 O ATOM 866 CB ASP A 58 -8.215 -7.850 -10.257 1.00 0.00 C ATOM 867 CG ASP A 58 -6.790 -8.401 -10.338 1.00 0.00 C ATOM 868 OD1 ASP A 58 -5.865 -7.605 -10.308 1.00 0.00 O ATOM 869 OD2 ASP A 58 -6.647 -9.609 -10.429 1.00 0.00 O ATOM 0 H ASP A 58 -10.304 -6.470 -10.181 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.523 -5.959 -9.487 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.699 -8.197 -9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.808 -8.222 -11.093 1.00 0.00 H new ATOM 874 N VAL A 59 -6.589 -5.066 -11.614 1.00 0.00 N ATOM 875 CA VAL A 59 -5.995 -4.563 -12.886 1.00 0.00 C ATOM 876 C VAL A 59 -4.508 -4.933 -12.922 1.00 0.00 C ATOM 877 O VAL A 59 -3.827 -4.903 -11.917 1.00 0.00 O ATOM 878 CB VAL A 59 -6.157 -3.046 -12.961 1.00 0.00 C ATOM 879 CG1 VAL A 59 -5.694 -2.548 -14.332 1.00 0.00 C ATOM 880 CG2 VAL A 59 -7.631 -2.684 -12.762 1.00 0.00 C ATOM 0 H VAL A 59 -6.118 -4.751 -10.766 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.503 -5.015 -13.738 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.555 -2.578 -12.182 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.810 -1.465 -14.384 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.646 -2.808 -14.479 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.296 -3.015 -15.111 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.750 -1.602 -12.815 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.230 -3.154 -13.543 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.964 -3.038 -11.787 1.00 0.00 H new ATOM 890 N GLU A 60 -4.002 -5.301 -14.069 1.00 0.00 N ATOM 891 CA GLU A 60 -2.564 -5.691 -14.163 1.00 0.00 C ATOM 892 C GLU A 60 -1.664 -4.522 -13.751 1.00 0.00 C ATOM 893 O GLU A 60 -0.593 -4.717 -13.209 1.00 0.00 O ATOM 894 CB GLU A 60 -2.248 -6.109 -15.599 1.00 0.00 C ATOM 895 CG GLU A 60 -2.165 -4.871 -16.477 1.00 0.00 C ATOM 896 CD GLU A 60 -2.099 -5.286 -17.947 1.00 0.00 C ATOM 897 OE1 GLU A 60 -2.029 -6.477 -18.204 1.00 0.00 O ATOM 898 OE2 GLU A 60 -2.119 -4.406 -18.792 1.00 0.00 O ATOM 0 H GLU A 60 -4.522 -5.349 -14.945 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.376 -6.526 -13.488 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.306 -6.656 -15.632 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.020 -6.782 -15.972 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.033 -4.234 -16.307 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.284 -4.285 -16.214 1.00 0.00 H new ATOM 905 N LEU A 61 -2.081 -3.312 -14.001 1.00 0.00 N ATOM 906 CA LEU A 61 -1.240 -2.138 -13.623 1.00 0.00 C ATOM 907 C LEU A 61 0.218 -2.404 -14.008 1.00 0.00 C ATOM 908 O LEU A 61 0.527 -3.361 -14.690 1.00 0.00 O ATOM 909 CB LEU A 61 -1.325 -1.910 -12.112 1.00 0.00 C ATOM 910 CG LEU A 61 -2.786 -1.751 -11.699 1.00 0.00 C ATOM 911 CD1 LEU A 61 -2.862 -1.434 -10.204 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.420 -0.609 -12.495 1.00 0.00 C ATOM 0 H LEU A 61 -2.968 -3.084 -14.451 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.603 -1.255 -14.149 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.876 -2.750 -11.582 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.760 -1.020 -11.836 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.323 -2.677 -11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.905 -1.320 -9.909 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.411 -2.248 -9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.324 -0.508 -10.001 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.463 -0.495 -12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.883 0.318 -12.293 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.366 -0.834 -13.560 1.00 0.00 H new ATOM 924 N SER A 62 1.116 -1.559 -13.576 1.00 0.00 N ATOM 925 CA SER A 62 2.554 -1.756 -13.911 1.00 0.00 C ATOM 926 C SER A 62 3.401 -1.559 -12.652 1.00 0.00 C ATOM 927 O SER A 62 2.956 -0.984 -11.679 1.00 0.00 O ATOM 928 CB SER A 62 2.972 -0.739 -14.974 1.00 0.00 C ATOM 929 OG SER A 62 3.273 -1.419 -16.184 1.00 0.00 O ATOM 0 H SER A 62 0.914 -0.739 -13.004 1.00 0.00 H new ATOM 0 HA SER A 62 2.705 -2.765 -14.295 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.171 -0.018 -15.138 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.842 -0.177 -14.634 1.00 0.00 H new ATOM 0 HG SER A 62 3.539 -0.769 -16.867 1.00 0.00 H new ATOM 935 N PRO A 63 4.617 -2.034 -12.676 1.00 0.00 N ATOM 936 CA PRO A 63 5.554 -1.913 -11.521 1.00 0.00 C ATOM 937 C PRO A 63 5.843 -0.453 -11.162 1.00 0.00 C ATOM 938 O PRO A 63 6.157 -0.130 -10.033 1.00 0.00 O ATOM 939 CB PRO A 63 6.835 -2.610 -11.999 1.00 0.00 C ATOM 940 CG PRO A 63 6.722 -2.703 -13.485 1.00 0.00 C ATOM 941 CD PRO A 63 5.232 -2.737 -13.807 1.00 0.00 C ATOM 0 HA PRO A 63 5.134 -2.357 -10.618 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.719 -2.042 -11.710 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.931 -3.600 -11.552 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.203 -1.850 -13.964 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.219 -3.599 -13.856 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.015 -2.241 -14.753 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.864 -3.759 -13.892 1.00 0.00 H new ATOM 949 N GLU A 64 5.740 0.429 -12.117 1.00 0.00 N ATOM 950 CA GLU A 64 6.007 1.869 -11.839 1.00 0.00 C ATOM 951 C GLU A 64 5.023 2.388 -10.789 1.00 0.00 C ATOM 952 O GLU A 64 5.337 3.269 -10.013 1.00 0.00 O ATOM 953 CB GLU A 64 5.845 2.672 -13.128 1.00 0.00 C ATOM 954 CG GLU A 64 6.249 4.122 -12.881 1.00 0.00 C ATOM 955 CD GLU A 64 5.984 4.950 -14.139 1.00 0.00 C ATOM 956 OE1 GLU A 64 5.489 4.387 -15.102 1.00 0.00 O ATOM 957 OE2 GLU A 64 6.282 6.134 -14.118 1.00 0.00 O ATOM 0 H GLU A 64 5.482 0.215 -13.080 1.00 0.00 H new ATOM 0 HA GLU A 64 7.024 1.980 -11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.462 2.241 -13.917 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.811 2.625 -13.470 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.686 4.529 -12.041 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.304 4.176 -12.614 1.00 0.00 H new ATOM 964 N HIS A 65 3.831 1.858 -10.763 1.00 0.00 N ATOM 965 CA HIS A 65 2.826 2.331 -9.769 1.00 0.00 C ATOM 966 C HIS A 65 3.253 1.932 -8.355 1.00 0.00 C ATOM 967 O HIS A 65 2.887 2.566 -7.387 1.00 0.00 O ATOM 968 CB HIS A 65 1.465 1.704 -10.079 1.00 0.00 C ATOM 969 CG HIS A 65 0.460 2.177 -9.068 1.00 0.00 C ATOM 970 ND1 HIS A 65 0.115 3.516 -8.937 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.281 1.505 -8.126 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.794 3.606 -7.949 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.068 2.410 -7.424 1.00 0.00 N ATOM 0 H HIS A 65 3.509 1.118 -11.387 1.00 0.00 H new ATOM 0 HA HIS A 65 2.756 3.417 -9.829 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.145 1.980 -11.084 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.538 0.617 -10.055 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.484 4.290 -9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.256 0.439 -7.957 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.246 4.531 -7.622 1.00 0.00 H new ATOM 982 N PHE A 66 4.014 0.883 -8.224 1.00 0.00 N ATOM 983 CA PHE A 66 4.447 0.447 -6.867 1.00 0.00 C ATOM 984 C PHE A 66 5.850 0.982 -6.575 1.00 0.00 C ATOM 985 O PHE A 66 6.483 0.600 -5.611 1.00 0.00 O ATOM 986 CB PHE A 66 4.457 -1.081 -6.808 1.00 0.00 C ATOM 987 CG PHE A 66 3.070 -1.597 -7.104 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.744 -2.022 -8.397 1.00 0.00 C ATOM 989 CD2 PHE A 66 2.109 -1.646 -6.087 1.00 0.00 C ATOM 990 CE1 PHE A 66 1.457 -2.496 -8.676 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.821 -2.121 -6.366 1.00 0.00 C ATOM 992 CZ PHE A 66 0.495 -2.546 -7.660 1.00 0.00 C ATOM 0 H PHE A 66 4.355 0.309 -8.995 1.00 0.00 H new ATOM 0 HA PHE A 66 3.754 0.837 -6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.169 -1.480 -7.531 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.781 -1.417 -5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.486 -1.984 -9.180 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.360 -1.318 -5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.206 -2.823 -9.674 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.079 -2.159 -5.582 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.498 -2.912 -7.874 1.00 0.00 H new ATOM 1002 N ARG A 67 6.347 1.859 -7.402 1.00 0.00 N ATOM 1003 CA ARG A 67 7.713 2.411 -7.171 1.00 0.00 C ATOM 1004 C ARG A 67 7.797 3.025 -5.768 1.00 0.00 C ATOM 1005 O ARG A 67 8.802 2.911 -5.096 1.00 0.00 O ATOM 1006 CB ARG A 67 8.009 3.486 -8.222 1.00 0.00 C ATOM 1007 CG ARG A 67 9.463 3.958 -8.107 1.00 0.00 C ATOM 1008 CD ARG A 67 10.395 2.965 -8.812 1.00 0.00 C ATOM 1009 NE ARG A 67 11.788 3.495 -8.797 1.00 0.00 N ATOM 1010 CZ ARG A 67 12.608 3.174 -7.831 1.00 0.00 C ATOM 1011 NH1 ARG A 67 13.829 3.634 -7.836 1.00 0.00 N ATOM 1012 NH2 ARG A 67 12.210 2.400 -6.858 1.00 0.00 N ATOM 0 H ARG A 67 5.867 2.218 -8.228 1.00 0.00 H new ATOM 0 HA ARG A 67 8.446 1.608 -7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.827 3.088 -9.220 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.334 4.331 -8.088 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.569 4.947 -8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.742 4.049 -7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.357 1.997 -8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.066 2.807 -9.839 1.00 0.00 H new ATOM 0 HE ARG A 67 12.103 4.112 -9.545 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.142 4.243 -8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.471 3.385 -7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.255 2.042 -6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.854 2.153 -6.107 1.00 0.00 H new ATOM 1026 N SER A 68 6.755 3.677 -5.320 1.00 0.00 N ATOM 1027 CA SER A 68 6.795 4.296 -3.960 1.00 0.00 C ATOM 1028 C SER A 68 5.469 4.056 -3.232 1.00 0.00 C ATOM 1029 O SER A 68 4.434 3.881 -3.844 1.00 0.00 O ATOM 1030 CB SER A 68 7.031 5.800 -4.096 1.00 0.00 C ATOM 1031 OG SER A 68 5.902 6.399 -4.717 1.00 0.00 O ATOM 0 H SER A 68 5.883 3.807 -5.833 1.00 0.00 H new ATOM 0 HA SER A 68 7.604 3.843 -3.386 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.198 6.244 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.927 5.987 -4.687 1.00 0.00 H new ATOM 0 HG SER A 68 6.050 7.364 -4.804 1.00 0.00 H new ATOM 1037 N ILE A 69 5.494 4.048 -1.925 1.00 0.00 N ATOM 1038 CA ILE A 69 4.250 3.825 -1.145 1.00 0.00 C ATOM 1039 C ILE A 69 3.250 4.952 -1.420 1.00 0.00 C ATOM 1040 O ILE A 69 2.054 4.737 -1.466 1.00 0.00 O ATOM 1041 CB ILE A 69 4.595 3.812 0.343 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.595 2.700 0.633 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.335 3.560 1.153 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.099 2.826 2.071 1.00 0.00 C ATOM 0 H ILE A 69 6.334 4.188 -1.363 1.00 0.00 H new ATOM 0 HA ILE A 69 3.805 2.874 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 69 5.028 4.775 0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.126 1.727 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.432 2.759 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.581 3.551 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.611 4.350 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.908 2.598 0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.814 2.030 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.584 3.793 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.258 2.745 2.760 1.00 0.00 H new ATOM 1056 N ARG A 70 3.728 6.155 -1.584 1.00 0.00 N ATOM 1057 CA ARG A 70 2.806 7.301 -1.833 1.00 0.00 C ATOM 1058 C ARG A 70 2.012 7.072 -3.122 1.00 0.00 C ATOM 1059 O ARG A 70 0.851 7.421 -3.213 1.00 0.00 O ATOM 1060 CB ARG A 70 3.622 8.587 -1.962 1.00 0.00 C ATOM 1061 CG ARG A 70 4.315 8.887 -0.631 1.00 0.00 C ATOM 1062 CD ARG A 70 5.046 10.227 -0.726 1.00 0.00 C ATOM 1063 NE ARG A 70 6.015 10.185 -1.856 1.00 0.00 N ATOM 1064 CZ ARG A 70 6.538 11.291 -2.311 1.00 0.00 C ATOM 1065 NH1 ARG A 70 7.387 11.252 -3.301 1.00 0.00 N ATOM 1066 NH2 ARG A 70 6.212 12.435 -1.775 1.00 0.00 N ATOM 0 H ARG A 70 4.719 6.395 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 70 2.110 7.385 -0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.363 8.482 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.972 9.416 -2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.581 8.918 0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.021 8.092 -0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.329 11.034 -0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.569 10.435 0.208 1.00 0.00 H new ATOM 0 HE ARG A 70 6.270 9.291 -2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.642 10.357 -3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.796 12.116 -3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.549 12.465 -1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.620 13.299 -2.130 1.00 0.00 H new ATOM 1080 N SER A 71 2.620 6.493 -4.120 1.00 0.00 N ATOM 1081 CA SER A 71 1.888 6.253 -5.392 1.00 0.00 C ATOM 1082 C SER A 71 0.697 5.329 -5.128 1.00 0.00 C ATOM 1083 O SER A 71 -0.359 5.476 -5.714 1.00 0.00 O ATOM 1084 CB SER A 71 2.835 5.596 -6.394 1.00 0.00 C ATOM 1085 OG SER A 71 3.200 4.307 -5.918 1.00 0.00 O ATOM 0 H SER A 71 3.590 6.177 -4.109 1.00 0.00 H new ATOM 0 HA SER A 71 1.526 7.199 -5.795 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.353 5.514 -7.368 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.724 6.212 -6.530 1.00 0.00 H new ATOM 0 HG SER A 71 3.305 3.696 -6.677 1.00 0.00 H new ATOM 1091 N ILE A 72 0.854 4.383 -4.244 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.263 3.460 -3.933 1.00 0.00 C ATOM 1093 C ILE A 72 -1.412 4.256 -3.314 1.00 0.00 C ATOM 1094 O ILE A 72 -2.570 4.011 -3.586 1.00 0.00 O ATOM 1095 CB ILE A 72 0.226 2.406 -2.943 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.395 1.632 -3.559 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -0.911 1.442 -2.629 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.984 0.677 -2.517 1.00 0.00 C ATOM 0 H ILE A 72 1.714 4.212 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.611 2.971 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 72 0.556 2.893 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.055 1.071 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.161 2.325 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.564 0.688 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.745 1.992 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.239 0.955 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.816 0.127 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.340 1.248 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.216 -0.025 -2.192 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.095 5.210 -2.482 1.00 0.00 N ATOM 1111 CA ASP A 73 -2.161 6.028 -1.843 1.00 0.00 C ATOM 1112 C ASP A 73 -3.012 6.688 -2.928 1.00 0.00 C ATOM 1113 O ASP A 73 -4.212 6.821 -2.793 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.521 7.109 -0.969 1.00 0.00 C ATOM 1115 CG ASP A 73 -2.602 7.791 -0.128 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -3.723 7.311 -0.139 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -2.289 8.781 0.512 1.00 0.00 O ATOM 0 H ASP A 73 -0.142 5.458 -2.218 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.790 5.388 -1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.765 6.667 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.014 7.844 -1.594 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.402 7.102 -4.006 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.183 7.750 -5.094 1.00 0.00 C ATOM 1124 C ALA A 74 -4.212 6.759 -5.633 1.00 0.00 C ATOM 1125 O ALA A 74 -5.357 7.097 -5.856 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.238 8.174 -6.221 1.00 0.00 C ATOM 0 H ALA A 74 -1.400 7.019 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.694 8.630 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.811 8.649 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.503 8.879 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.726 7.297 -6.616 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.817 5.532 -5.834 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.784 4.521 -6.349 1.00 0.00 C ATOM 1134 C PHE A 75 -5.880 4.296 -5.306 1.00 0.00 C ATOM 1135 O PHE A 75 -7.055 4.286 -5.614 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.059 3.204 -6.617 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.016 2.220 -7.247 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.222 2.234 -8.632 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.697 1.296 -6.447 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.110 1.323 -9.217 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.584 0.384 -7.032 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.790 0.397 -8.416 1.00 0.00 C ATOM 0 H PHE A 75 -2.872 5.187 -5.665 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.227 4.882 -7.277 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.208 3.373 -7.277 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.664 2.798 -5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.696 2.947 -9.249 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.539 1.286 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.270 1.334 -10.285 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.109 -0.330 -6.415 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.474 -0.307 -8.867 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.498 4.117 -4.070 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.503 3.895 -2.999 1.00 0.00 C ATOM 1154 C VAL A 76 -7.360 5.151 -2.827 1.00 0.00 C ATOM 1155 O VAL A 76 -8.558 5.076 -2.639 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.774 3.589 -1.693 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.774 3.595 -0.542 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.117 2.209 -1.788 1.00 0.00 C ATOM 0 H VAL A 76 -4.527 4.116 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.148 3.059 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.009 4.345 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.256 3.377 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.245 4.576 -0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.537 2.837 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.596 1.989 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.882 1.453 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.404 2.201 -2.613 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.755 6.306 -2.886 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.529 7.563 -2.722 1.00 0.00 C ATOM 1170 C VAL A 77 -8.615 7.644 -3.798 1.00 0.00 C ATOM 1171 O VAL A 77 -9.737 8.026 -3.534 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.578 8.750 -2.867 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -7.390 10.036 -2.970 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.663 8.822 -1.642 1.00 0.00 C ATOM 0 H VAL A 77 -5.755 6.431 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.999 7.581 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.973 8.627 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.715 10.885 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.044 9.984 -3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.992 10.159 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.984 9.669 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.267 8.948 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.085 7.901 -1.565 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.285 7.293 -5.010 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.291 7.355 -6.110 1.00 0.00 C ATOM 1186 C GLY A 78 -10.454 6.397 -5.833 1.00 0.00 C ATOM 1187 O GLY A 78 -11.588 6.674 -6.172 1.00 0.00 O ATOM 0 H GLY A 78 -7.360 6.965 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.667 8.373 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.818 7.097 -7.057 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.190 5.266 -5.234 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.293 4.297 -4.960 1.00 0.00 C ATOM 1193 C ALA A 79 -11.966 4.639 -3.632 1.00 0.00 C ATOM 1194 O ALA A 79 -13.174 4.714 -3.534 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.719 2.881 -4.890 1.00 0.00 C ATOM 0 H ALA A 79 -9.264 4.972 -4.924 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.030 4.355 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.523 2.172 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.245 2.633 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.980 2.827 -4.090 1.00 0.00 H new ATOM 1201 N THR A 80 -11.189 4.855 -2.612 1.00 0.00 N ATOM 1202 CA THR A 80 -11.770 5.204 -1.288 1.00 0.00 C ATOM 1203 C THR A 80 -10.919 6.307 -0.667 1.00 0.00 C ATOM 1204 O THR A 80 -9.741 6.406 -0.933 1.00 0.00 O ATOM 1205 CB THR A 80 -11.767 3.969 -0.382 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.602 4.208 0.743 1.00 0.00 O ATOM 1207 CG2 THR A 80 -10.341 3.679 0.089 1.00 0.00 C ATOM 0 H THR A 80 -10.171 4.805 -2.638 1.00 0.00 H new ATOM 0 HA THR A 80 -12.798 5.548 -1.405 1.00 0.00 H new ATOM 0 HB THR A 80 -12.142 3.110 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.731 3.372 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.342 2.800 0.733 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.703 3.495 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.960 4.536 0.645 1.00 0.00 H new ATOM 1215 N THR A 81 -11.501 7.142 0.148 1.00 0.00 N ATOM 1216 CA THR A 81 -10.712 8.242 0.764 1.00 0.00 C ATOM 1217 C THR A 81 -11.029 8.345 2.261 1.00 0.00 C ATOM 1218 O THR A 81 -11.917 9.070 2.664 1.00 0.00 O ATOM 1219 CB THR A 81 -11.075 9.553 0.066 1.00 0.00 C ATOM 1220 OG1 THR A 81 -10.302 10.611 0.615 1.00 0.00 O ATOM 1221 CG2 THR A 81 -12.562 9.847 0.264 1.00 0.00 C ATOM 0 H THR A 81 -12.486 7.110 0.413 1.00 0.00 H new ATOM 0 HA THR A 81 -9.647 8.040 0.649 1.00 0.00 H new ATOM 0 HB THR A 81 -10.865 9.466 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.349 10.412 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.818 10.782 -0.235 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.153 9.036 -0.161 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.777 9.933 1.329 1.00 0.00 H new