USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 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 65 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-3.4!) USER MOD Set 1.2: A 71 SER OG : rot -91:sc= 0.00686 USER MOD Set 2.1: A 3 HIS : no HE2:sc= -3.28! C(o=-3.9!,f=-13!) USER MOD Set 2.2: A 81 THR OG1 : rot 80:sc= -0.65! USER MOD Single : A 1 MET CE :methyl -149:sc= -0.226 (180deg=-1.51!) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.551 (180deg=-0.569) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.22) 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= -0.0358 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00126 USER MOD Single : A 80 THR OG1 : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.656 11.111 2.242 1.00 0.00 N ATOM 2 CA MET A 1 1.330 10.117 3.125 1.00 0.00 C ATOM 3 C MET A 1 0.618 10.072 4.476 1.00 0.00 C ATOM 4 O MET A 1 1.163 9.622 5.463 1.00 0.00 O ATOM 5 CB MET A 1 2.789 10.527 3.331 1.00 0.00 C ATOM 6 CG MET A 1 3.518 10.483 1.990 1.00 0.00 C ATOM 7 SD MET A 1 5.292 10.722 2.258 1.00 0.00 S ATOM 8 CE MET A 1 5.186 12.350 3.041 1.00 0.00 C ATOM 0 H1 MET A 1 1.063 11.058 1.286 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.362 10.902 2.197 1.00 0.00 H new ATOM 0 H3 MET A 1 0.796 12.067 2.626 1.00 0.00 H new ATOM 0 HA MET A 1 1.291 9.132 2.661 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.841 11.530 3.754 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.271 9.856 4.042 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.339 9.527 1.498 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.132 11.259 1.329 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.082 12.925 2.807 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.308 12.877 2.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.104 12.230 4.121 1.00 0.00 H new ATOM 20 N GLN A 2 -0.597 10.540 4.526 1.00 0.00 N ATOM 21 CA GLN A 2 -1.348 10.529 5.813 1.00 0.00 C ATOM 22 C GLN A 2 -1.479 9.091 6.317 1.00 0.00 C ATOM 23 O GLN A 2 -1.410 8.831 7.502 1.00 0.00 O ATOM 24 CB GLN A 2 -2.745 11.115 5.591 1.00 0.00 C ATOM 25 CG GLN A 2 -2.625 12.577 5.158 1.00 0.00 C ATOM 26 CD GLN A 2 -4.021 13.153 4.915 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.979 12.419 4.780 1.00 0.00 O ATOM 28 NE2 GLN A 2 -4.177 14.447 4.853 1.00 0.00 N ATOM 0 H GLN A 2 -1.104 10.930 3.731 1.00 0.00 H new ATOM 0 HA GLN A 2 -0.812 11.126 6.550 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.274 10.542 4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.330 11.044 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.111 13.154 5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.026 12.651 4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.372 15.064 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.103 14.842 4.691 1.00 0.00 H new ATOM 37 N HIS A 3 -1.673 8.157 5.425 1.00 0.00 N ATOM 38 CA HIS A 3 -1.817 6.732 5.843 1.00 0.00 C ATOM 39 C HIS A 3 -0.690 5.905 5.220 1.00 0.00 C ATOM 40 O HIS A 3 -0.731 4.691 5.209 1.00 0.00 O ATOM 41 CB HIS A 3 -3.167 6.203 5.358 1.00 0.00 C ATOM 42 CG HIS A 3 -4.225 7.243 5.609 1.00 0.00 C ATOM 43 ND1 HIS A 3 -4.510 7.719 6.882 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.068 7.917 4.759 1.00 0.00 C ATOM 45 CE1 HIS A 3 -5.487 8.638 6.761 1.00 0.00 C ATOM 46 NE2 HIS A 3 -5.860 8.794 5.490 1.00 0.00 N ATOM 0 H HIS A 3 -1.738 8.320 4.420 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.763 6.658 6.929 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.118 5.966 4.295 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.418 5.279 5.879 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -4.061 7.426 7.750 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.109 7.785 3.688 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.915 9.181 7.590 1.00 0.00 H new ATOM 55 N ALA A 4 0.309 6.554 4.692 1.00 0.00 N ATOM 56 CA ALA A 4 1.435 5.812 4.057 1.00 0.00 C ATOM 57 C ALA A 4 2.108 4.894 5.080 1.00 0.00 C ATOM 58 O ALA A 4 2.605 3.838 4.741 1.00 0.00 O ATOM 59 CB ALA A 4 2.464 6.811 3.526 1.00 0.00 C ATOM 0 H ALA A 4 0.395 7.570 4.672 1.00 0.00 H new ATOM 0 HA ALA A 4 1.044 5.208 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.289 6.271 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.993 7.460 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.844 7.414 4.350 1.00 0.00 H new ATOM 65 N SER A 5 2.145 5.287 6.323 1.00 0.00 N ATOM 66 CA SER A 5 2.806 4.427 7.345 1.00 0.00 C ATOM 67 C SER A 5 2.133 3.055 7.381 1.00 0.00 C ATOM 68 O SER A 5 2.790 2.033 7.390 1.00 0.00 O ATOM 69 CB SER A 5 2.695 5.088 8.719 1.00 0.00 C ATOM 70 OG SER A 5 3.494 4.371 9.651 1.00 0.00 O ATOM 0 H SER A 5 1.750 6.159 6.674 1.00 0.00 H new ATOM 0 HA SER A 5 3.857 4.304 7.085 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.023 6.126 8.664 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.656 5.100 9.047 1.00 0.00 H new ATOM 0 HG SER A 5 3.426 4.793 10.533 1.00 0.00 H new ATOM 76 N VAL A 6 0.831 3.020 7.387 1.00 0.00 N ATOM 77 CA VAL A 6 0.130 1.706 7.406 1.00 0.00 C ATOM 78 C VAL A 6 0.404 0.983 6.091 1.00 0.00 C ATOM 79 O VAL A 6 0.592 -0.214 6.055 1.00 0.00 O ATOM 80 CB VAL A 6 -1.373 1.923 7.566 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.105 0.591 7.377 1.00 0.00 C ATOM 82 CG2 VAL A 6 -1.663 2.469 8.965 1.00 0.00 C ATOM 0 H VAL A 6 0.224 3.839 7.380 1.00 0.00 H new ATOM 0 HA VAL A 6 0.493 1.108 8.242 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.718 2.637 6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.178 0.746 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.899 0.201 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.760 -0.123 8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.736 2.624 9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.317 1.755 9.713 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.143 3.417 9.101 1.00 0.00 H new ATOM 92 N ILE A 7 0.426 1.707 5.009 1.00 0.00 N ATOM 93 CA ILE A 7 0.687 1.074 3.687 1.00 0.00 C ATOM 94 C ILE A 7 2.054 0.391 3.703 1.00 0.00 C ATOM 95 O ILE A 7 2.184 -0.763 3.347 1.00 0.00 O ATOM 96 CB ILE A 7 0.666 2.154 2.608 1.00 0.00 C ATOM 97 CG1 ILE A 7 -0.725 2.790 2.561 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.990 1.529 1.249 1.00 0.00 C ATOM 99 CD1 ILE A 7 -0.715 3.983 1.605 1.00 0.00 C ATOM 0 H ILE A 7 0.274 2.715 4.983 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.080 0.328 3.478 1.00 0.00 H new ATOM 0 HB ILE A 7 1.410 2.916 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.460 2.055 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.021 3.114 3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.974 2.302 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.979 1.073 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.247 0.767 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.707 4.433 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.008 4.721 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.438 3.646 0.606 1.00 0.00 H new ATOM 111 N ALA A 8 3.073 1.088 4.122 1.00 0.00 N ATOM 112 CA ALA A 8 4.426 0.468 4.167 1.00 0.00 C ATOM 113 C ALA A 8 4.405 -0.686 5.167 1.00 0.00 C ATOM 114 O ALA A 8 4.922 -1.756 4.917 1.00 0.00 O ATOM 115 CB ALA A 8 5.454 1.509 4.613 1.00 0.00 C ATOM 0 H ALA A 8 3.028 2.058 4.435 1.00 0.00 H new ATOM 0 HA ALA A 8 4.696 0.099 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.443 1.053 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.460 2.340 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.192 1.877 5.605 1.00 0.00 H new ATOM 121 N GLN A 9 3.799 -0.470 6.298 1.00 0.00 N ATOM 122 CA GLN A 9 3.720 -1.540 7.328 1.00 0.00 C ATOM 123 C GLN A 9 2.871 -2.696 6.800 1.00 0.00 C ATOM 124 O GLN A 9 3.166 -3.852 7.021 1.00 0.00 O ATOM 125 CB GLN A 9 3.068 -0.967 8.590 1.00 0.00 C ATOM 126 CG GLN A 9 3.028 -2.034 9.685 1.00 0.00 C ATOM 127 CD GLN A 9 1.609 -2.130 10.245 1.00 0.00 C ATOM 128 OE1 GLN A 9 1.362 -1.758 11.375 1.00 0.00 O ATOM 129 NE2 GLN A 9 0.658 -2.615 9.494 1.00 0.00 N ATOM 0 H GLN A 9 3.351 0.409 6.556 1.00 0.00 H new ATOM 0 HA GLN A 9 4.721 -1.904 7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.628 -0.098 8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.057 -0.626 8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.338 -2.998 9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.729 -1.782 10.481 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.866 -2.927 8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.293 -2.682 9.856 1.00 0.00 H new ATOM 138 N PHE A 10 1.809 -2.387 6.118 1.00 0.00 N ATOM 139 CA PHE A 10 0.916 -3.453 5.586 1.00 0.00 C ATOM 140 C PHE A 10 1.670 -4.310 4.566 1.00 0.00 C ATOM 141 O PHE A 10 1.659 -5.523 4.630 1.00 0.00 O ATOM 142 CB PHE A 10 -0.287 -2.792 4.909 1.00 0.00 C ATOM 143 CG PHE A 10 -1.348 -3.824 4.620 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.330 -4.097 5.578 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.357 -4.500 3.395 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.322 -5.047 5.314 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.351 -5.450 3.129 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.333 -5.723 4.089 1.00 0.00 C ATOM 0 H PHE A 10 1.517 -1.434 5.903 1.00 0.00 H new ATOM 0 HA PHE A 10 0.583 -4.093 6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.693 -2.011 5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.026 -2.311 3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.322 -3.574 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.598 -4.289 2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.079 -5.259 6.055 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.360 -5.972 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.099 -6.456 3.884 1.00 0.00 H new ATOM 158 N VAL A 11 2.310 -3.687 3.618 1.00 0.00 N ATOM 159 CA VAL A 11 3.052 -4.461 2.579 1.00 0.00 C ATOM 160 C VAL A 11 4.341 -5.058 3.160 1.00 0.00 C ATOM 161 O VAL A 11 4.631 -6.220 2.969 1.00 0.00 O ATOM 162 CB VAL A 11 3.399 -3.533 1.411 1.00 0.00 C ATOM 163 CG1 VAL A 11 4.351 -2.437 1.889 1.00 0.00 C ATOM 164 CG2 VAL A 11 4.075 -4.338 0.299 1.00 0.00 C ATOM 0 H VAL A 11 2.353 -2.673 3.515 1.00 0.00 H new ATOM 0 HA VAL A 11 2.419 -5.278 2.232 1.00 0.00 H new ATOM 0 HB VAL A 11 2.484 -3.080 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.596 -1.779 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.873 -1.859 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.265 -2.891 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.321 -3.676 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.988 -4.793 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.398 -5.119 -0.048 1.00 0.00 H new ATOM 174 N VAL A 12 5.121 -4.272 3.851 1.00 0.00 N ATOM 175 CA VAL A 12 6.401 -4.792 4.421 1.00 0.00 C ATOM 176 C VAL A 12 6.134 -5.944 5.391 1.00 0.00 C ATOM 177 O VAL A 12 6.900 -6.883 5.478 1.00 0.00 O ATOM 178 CB VAL A 12 7.119 -3.666 5.162 1.00 0.00 C ATOM 179 CG1 VAL A 12 8.318 -4.235 5.922 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.604 -2.621 4.154 1.00 0.00 C ATOM 0 H VAL A 12 4.928 -3.290 4.047 1.00 0.00 H new ATOM 0 HA VAL A 12 7.022 -5.160 3.604 1.00 0.00 H new ATOM 0 HB VAL A 12 6.431 -3.200 5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.829 -3.430 6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.974 -4.979 6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.007 -4.702 5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.117 -1.817 4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.291 -3.088 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.750 -2.213 3.613 1.00 0.00 H new ATOM 190 N GLU A 13 5.068 -5.875 6.131 1.00 0.00 N ATOM 191 CA GLU A 13 4.769 -6.964 7.106 1.00 0.00 C ATOM 192 C GLU A 13 4.628 -8.300 6.374 1.00 0.00 C ATOM 193 O GLU A 13 4.976 -9.341 6.891 1.00 0.00 O ATOM 194 CB GLU A 13 3.467 -6.647 7.842 1.00 0.00 C ATOM 195 CG GLU A 13 3.203 -7.709 8.908 1.00 0.00 C ATOM 196 CD GLU A 13 1.839 -7.457 9.553 1.00 0.00 C ATOM 197 OE1 GLU A 13 1.177 -6.518 9.144 1.00 0.00 O ATOM 198 OE2 GLU A 13 1.480 -8.208 10.445 1.00 0.00 O ATOM 0 H GLU A 13 4.389 -5.114 6.106 1.00 0.00 H new ATOM 0 HA GLU A 13 5.588 -7.034 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.531 -5.662 8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.638 -6.614 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.227 -8.703 8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.986 -7.681 9.666 1.00 0.00 H new ATOM 205 N GLU A 14 4.103 -8.280 5.184 1.00 0.00 N ATOM 206 CA GLU A 14 3.919 -9.549 4.426 1.00 0.00 C ATOM 207 C GLU A 14 5.270 -10.166 4.045 1.00 0.00 C ATOM 208 O GLU A 14 5.401 -11.372 3.965 1.00 0.00 O ATOM 209 CB GLU A 14 3.119 -9.265 3.154 1.00 0.00 C ATOM 210 CG GLU A 14 1.711 -8.799 3.528 1.00 0.00 C ATOM 211 CD GLU A 14 0.890 -8.580 2.256 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.470 -8.628 1.184 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.306 -8.369 2.375 1.00 0.00 O ATOM 0 H GLU A 14 3.792 -7.438 4.700 1.00 0.00 H new ATOM 0 HA GLU A 14 3.384 -10.255 5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.620 -8.501 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.065 -10.163 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.227 -9.542 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.763 -7.875 4.103 1.00 0.00 H new ATOM 220 N PHE A 15 6.266 -9.362 3.778 1.00 0.00 N ATOM 221 CA PHE A 15 7.587 -9.930 3.365 1.00 0.00 C ATOM 222 C PHE A 15 8.618 -9.824 4.493 1.00 0.00 C ATOM 223 O PHE A 15 9.213 -10.807 4.886 1.00 0.00 O ATOM 224 CB PHE A 15 8.102 -9.162 2.147 1.00 0.00 C ATOM 225 CG PHE A 15 7.005 -9.083 1.119 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.817 -10.123 0.201 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.166 -7.969 1.096 1.00 0.00 C ATOM 228 CE1 PHE A 15 5.786 -10.041 -0.743 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.135 -7.886 0.158 1.00 0.00 C ATOM 230 CZ PHE A 15 4.943 -8.922 -0.764 1.00 0.00 C ATOM 0 H PHE A 15 6.225 -8.344 3.827 1.00 0.00 H new ATOM 0 HA PHE A 15 7.446 -10.984 3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.417 -8.160 2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.975 -9.662 1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.465 -10.986 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.314 -7.168 1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.641 -10.840 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.486 -7.023 0.144 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.146 -8.859 -1.490 1.00 0.00 H new ATOM 240 N LEU A 16 8.863 -8.638 4.991 1.00 0.00 N ATOM 241 CA LEU A 16 9.891 -8.477 6.065 1.00 0.00 C ATOM 242 C LEU A 16 9.289 -7.817 7.310 1.00 0.00 C ATOM 243 O LEU A 16 9.404 -6.624 7.506 1.00 0.00 O ATOM 244 CB LEU A 16 11.026 -7.600 5.531 1.00 0.00 C ATOM 245 CG LEU A 16 12.224 -8.479 5.170 1.00 0.00 C ATOM 246 CD1 LEU A 16 11.819 -9.472 4.079 1.00 0.00 C ATOM 247 CD2 LEU A 16 13.365 -7.597 4.656 1.00 0.00 C ATOM 0 H LEU A 16 8.398 -7.777 4.702 1.00 0.00 H new ATOM 0 HA LEU A 16 10.263 -9.462 6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.690 -7.047 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.315 -6.864 6.281 1.00 0.00 H new ATOM 0 HG LEU A 16 12.554 -9.025 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.673 -10.098 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.005 -10.099 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.490 -8.927 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.220 -8.222 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.034 -7.052 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.655 -6.888 5.432 1.00 0.00 H new ATOM 259 N PRO A 17 8.667 -8.594 8.155 1.00 0.00 N ATOM 260 CA PRO A 17 8.060 -8.101 9.414 1.00 0.00 C ATOM 261 C PRO A 17 9.053 -8.125 10.583 1.00 0.00 C ATOM 262 O PRO A 17 8.825 -7.522 11.613 1.00 0.00 O ATOM 263 CB PRO A 17 6.920 -9.086 9.671 1.00 0.00 C ATOM 264 CG PRO A 17 7.225 -10.316 8.866 1.00 0.00 C ATOM 265 CD PRO A 17 8.463 -10.032 8.006 1.00 0.00 C ATOM 0 HA PRO A 17 7.735 -7.064 9.330 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.847 -9.326 10.732 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.963 -8.657 9.375 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.406 -11.166 9.524 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.376 -10.577 8.235 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.329 -10.597 8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.298 -10.307 6.964 1.00 0.00 H new ATOM 273 N ASP A 18 10.148 -8.826 10.436 1.00 0.00 N ATOM 274 CA ASP A 18 11.142 -8.894 11.542 1.00 0.00 C ATOM 275 C ASP A 18 11.952 -7.598 11.590 1.00 0.00 C ATOM 276 O ASP A 18 12.768 -7.395 12.468 1.00 0.00 O ATOM 277 CB ASP A 18 12.079 -10.079 11.298 1.00 0.00 C ATOM 278 CG ASP A 18 12.878 -9.853 10.012 1.00 0.00 C ATOM 279 OD1 ASP A 18 12.852 -8.743 9.506 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.501 -10.796 9.553 1.00 0.00 O ATOM 0 H ASP A 18 10.394 -9.353 9.598 1.00 0.00 H new ATOM 0 HA ASP A 18 10.624 -9.024 12.492 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.758 -10.197 12.143 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.502 -11.001 11.221 1.00 0.00 H new ATOM 285 N VAL A 19 11.716 -6.713 10.662 1.00 0.00 N ATOM 286 CA VAL A 19 12.447 -5.415 10.650 1.00 0.00 C ATOM 287 C VAL A 19 11.432 -4.300 10.888 1.00 0.00 C ATOM 288 O VAL A 19 10.287 -4.414 10.503 1.00 0.00 O ATOM 289 CB VAL A 19 13.123 -5.210 9.293 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.061 -4.926 8.231 1.00 0.00 C ATOM 291 CG2 VAL A 19 14.087 -4.026 9.377 1.00 0.00 C ATOM 0 H VAL A 19 11.043 -6.834 9.905 1.00 0.00 H new ATOM 0 HA VAL A 19 13.213 -5.408 11.426 1.00 0.00 H new ATOM 0 HB VAL A 19 13.675 -6.111 9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.543 -4.780 7.264 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.373 -5.769 8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.508 -4.026 8.501 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.569 -3.880 8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.535 -3.126 9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.845 -4.227 10.134 1.00 0.00 H new ATOM 301 N ALA A 20 11.822 -3.227 11.516 1.00 0.00 N ATOM 302 CA ALA A 20 10.839 -2.140 11.757 1.00 0.00 C ATOM 303 C ALA A 20 10.344 -1.623 10.397 1.00 0.00 C ATOM 304 O ALA A 20 11.114 -1.081 9.630 1.00 0.00 O ATOM 305 CB ALA A 20 11.525 -0.998 12.511 1.00 0.00 C ATOM 0 H ALA A 20 12.764 -3.058 11.868 1.00 0.00 H new ATOM 0 HA ALA A 20 10.001 -2.513 12.347 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.807 -0.197 12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.903 -1.367 13.465 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.354 -0.615 11.916 1.00 0.00 H new ATOM 311 N PRO A 21 9.074 -1.781 10.085 1.00 0.00 N ATOM 312 CA PRO A 21 8.530 -1.305 8.786 1.00 0.00 C ATOM 313 C PRO A 21 8.636 0.217 8.651 1.00 0.00 C ATOM 314 O PRO A 21 8.730 0.749 7.562 1.00 0.00 O ATOM 315 CB PRO A 21 7.062 -1.745 8.769 1.00 0.00 C ATOM 316 CG PRO A 21 6.777 -2.434 10.067 1.00 0.00 C ATOM 317 CD PRO A 21 8.045 -2.419 10.921 1.00 0.00 C ATOM 0 HA PRO A 21 9.093 -1.722 7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.406 -0.884 8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.874 -2.416 7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.963 -1.932 10.590 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.455 -3.460 9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.889 -1.862 11.845 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.340 -3.430 11.204 1.00 0.00 H new ATOM 325 N ALA A 22 8.628 0.918 9.751 1.00 0.00 N ATOM 326 CA ALA A 22 8.735 2.403 9.694 1.00 0.00 C ATOM 327 C ALA A 22 10.142 2.792 9.235 1.00 0.00 C ATOM 328 O ALA A 22 10.383 3.905 8.811 1.00 0.00 O ATOM 329 CB ALA A 22 8.471 2.987 11.083 1.00 0.00 C ATOM 0 H ALA A 22 8.552 0.525 10.689 1.00 0.00 H new ATOM 0 HA ALA A 22 8.000 2.795 8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.549 4.073 11.042 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.470 2.707 11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.206 2.597 11.787 1.00 0.00 H new ATOM 335 N ASP A 23 11.074 1.882 9.320 1.00 0.00 N ATOM 336 CA ASP A 23 12.466 2.195 8.893 1.00 0.00 C ATOM 337 C ASP A 23 12.573 2.040 7.378 1.00 0.00 C ATOM 338 O ASP A 23 13.579 2.366 6.779 1.00 0.00 O ATOM 339 CB ASP A 23 13.438 1.230 9.575 1.00 0.00 C ATOM 340 CG ASP A 23 14.876 1.650 9.264 1.00 0.00 C ATOM 341 OD1 ASP A 23 15.050 2.700 8.668 1.00 0.00 O ATOM 342 OD2 ASP A 23 15.779 0.915 9.627 1.00 0.00 O ATOM 0 H ASP A 23 10.930 0.934 9.667 1.00 0.00 H new ATOM 0 HA ASP A 23 12.715 3.218 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.272 1.231 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.262 0.212 9.226 1.00 0.00 H new ATOM 347 N VAL A 24 11.539 1.553 6.750 1.00 0.00 N ATOM 348 CA VAL A 24 11.580 1.389 5.273 1.00 0.00 C ATOM 349 C VAL A 24 11.660 2.773 4.633 1.00 0.00 C ATOM 350 O VAL A 24 10.971 3.690 5.033 1.00 0.00 O ATOM 351 CB VAL A 24 10.312 0.676 4.798 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.399 0.432 3.290 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.179 -0.666 5.522 1.00 0.00 C ATOM 0 H VAL A 24 10.669 1.262 7.196 1.00 0.00 H new ATOM 0 HA VAL A 24 12.448 0.794 4.988 1.00 0.00 H new ATOM 0 HB VAL A 24 9.443 1.296 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.496 -0.076 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.495 1.386 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.268 -0.188 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.276 -1.174 5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.048 -1.286 5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.118 -0.495 6.597 1.00 0.00 H new ATOM 363 N ASP A 25 12.498 2.940 3.651 1.00 0.00 N ATOM 364 CA ASP A 25 12.614 4.276 3.008 1.00 0.00 C ATOM 365 C ASP A 25 11.318 4.590 2.260 1.00 0.00 C ATOM 366 O ASP A 25 11.213 4.385 1.068 1.00 0.00 O ATOM 367 CB ASP A 25 13.784 4.268 2.022 1.00 0.00 C ATOM 368 CG ASP A 25 14.053 5.693 1.538 1.00 0.00 C ATOM 369 OD1 ASP A 25 13.508 6.610 2.129 1.00 0.00 O ATOM 370 OD2 ASP A 25 14.801 5.844 0.586 1.00 0.00 O ATOM 0 H ASP A 25 13.104 2.215 3.268 1.00 0.00 H new ATOM 0 HA ASP A 25 12.789 5.035 3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.674 3.861 2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.555 3.622 1.175 1.00 0.00 H new ATOM 375 N VAL A 26 10.330 5.087 2.954 1.00 0.00 N ATOM 376 CA VAL A 26 9.043 5.415 2.287 1.00 0.00 C ATOM 377 C VAL A 26 9.278 6.463 1.194 1.00 0.00 C ATOM 378 O VAL A 26 8.352 6.930 0.561 1.00 0.00 O ATOM 379 CB VAL A 26 8.076 5.968 3.332 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.772 7.062 4.144 1.00 0.00 C ATOM 381 CG2 VAL A 26 6.856 6.557 2.631 1.00 0.00 C ATOM 0 H VAL A 26 10.361 5.279 3.955 1.00 0.00 H new ATOM 0 HA VAL A 26 8.623 4.518 1.831 1.00 0.00 H new ATOM 0 HB VAL A 26 7.763 5.164 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.082 7.457 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.646 6.644 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.085 7.866 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.164 6.952 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.171 7.361 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.359 5.779 2.051 1.00 0.00 H new ATOM 391 N ASP A 27 10.510 6.825 0.955 1.00 0.00 N ATOM 392 CA ASP A 27 10.798 7.830 -0.107 1.00 0.00 C ATOM 393 C ASP A 27 11.283 7.100 -1.361 1.00 0.00 C ATOM 394 O ASP A 27 11.676 7.707 -2.337 1.00 0.00 O ATOM 395 CB ASP A 27 11.883 8.794 0.377 1.00 0.00 C ATOM 396 CG ASP A 27 11.348 9.619 1.548 1.00 0.00 C ATOM 397 OD1 ASP A 27 10.146 9.601 1.760 1.00 0.00 O ATOM 398 OD2 ASP A 27 12.148 10.255 2.214 1.00 0.00 O ATOM 0 H ASP A 27 11.328 6.468 1.449 1.00 0.00 H new ATOM 0 HA ASP A 27 9.894 8.396 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.768 8.237 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.188 9.453 -0.436 1.00 0.00 H new ATOM 403 N LEU A 28 11.259 5.796 -1.334 1.00 0.00 N ATOM 404 CA LEU A 28 11.717 5.007 -2.512 1.00 0.00 C ATOM 405 C LEU A 28 10.508 4.536 -3.311 1.00 0.00 C ATOM 406 O LEU A 28 9.520 4.096 -2.756 1.00 0.00 O ATOM 407 CB LEU A 28 12.501 3.786 -2.032 1.00 0.00 C ATOM 408 CG LEU A 28 13.070 3.028 -3.234 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.574 3.288 -3.338 1.00 0.00 C ATOM 410 CD2 LEU A 28 12.819 1.529 -3.055 1.00 0.00 C ATOM 0 H LEU A 28 10.940 5.240 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 28 12.352 5.632 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.310 4.099 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.851 3.131 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 28 12.581 3.372 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.978 2.748 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.751 4.356 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.066 2.946 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.224 0.988 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.307 1.185 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.747 1.346 -2.984 1.00 0.00 H new ATOM 422 N ASP A 29 10.577 4.606 -4.610 1.00 0.00 N ATOM 423 CA ASP A 29 9.428 4.139 -5.422 1.00 0.00 C ATOM 424 C ASP A 29 9.211 2.657 -5.126 1.00 0.00 C ATOM 425 O ASP A 29 10.099 1.845 -5.293 1.00 0.00 O ATOM 426 CB ASP A 29 9.732 4.332 -6.910 1.00 0.00 C ATOM 427 CG ASP A 29 9.818 5.827 -7.223 1.00 0.00 C ATOM 428 OD1 ASP A 29 9.418 6.613 -6.381 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.283 6.160 -8.301 1.00 0.00 O ATOM 0 H ASP A 29 11.373 4.963 -5.138 1.00 0.00 H new ATOM 0 HA ASP A 29 8.533 4.709 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.671 3.841 -7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.953 3.867 -7.515 1.00 0.00 H new ATOM 434 N LEU A 30 8.047 2.299 -4.667 1.00 0.00 N ATOM 435 CA LEU A 30 7.790 0.872 -4.338 1.00 0.00 C ATOM 436 C LEU A 30 7.745 0.038 -5.619 1.00 0.00 C ATOM 437 O LEU A 30 7.416 -1.132 -5.595 1.00 0.00 O ATOM 438 CB LEU A 30 6.459 0.751 -3.593 1.00 0.00 C ATOM 439 CG LEU A 30 5.305 1.084 -4.540 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.518 -0.189 -4.856 1.00 0.00 C ATOM 441 CD2 LEU A 30 4.377 2.099 -3.871 1.00 0.00 C ATOM 0 H LEU A 30 7.263 2.932 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 30 8.595 0.500 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.341 -0.260 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.447 1.427 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 30 5.704 1.504 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.696 0.050 -5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.177 -0.916 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.119 -0.609 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.554 2.338 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.980 1.676 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.935 3.007 -3.643 1.00 0.00 H new ATOM 453 N VAL A 31 8.072 0.622 -6.739 1.00 0.00 N ATOM 454 CA VAL A 31 8.043 -0.157 -8.008 1.00 0.00 C ATOM 455 C VAL A 31 8.862 -1.432 -7.823 1.00 0.00 C ATOM 456 O VAL A 31 8.493 -2.492 -8.289 1.00 0.00 O ATOM 457 CB VAL A 31 8.640 0.680 -9.141 1.00 0.00 C ATOM 458 CG1 VAL A 31 10.162 0.728 -8.994 1.00 0.00 C ATOM 459 CG2 VAL A 31 8.279 0.046 -10.487 1.00 0.00 C ATOM 0 H VAL A 31 8.356 1.597 -6.830 1.00 0.00 H new ATOM 0 HA VAL A 31 7.014 -0.413 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 31 8.238 1.692 -9.095 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.587 1.324 -9.801 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.421 1.178 -8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.564 -0.284 -9.040 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.704 0.641 -11.295 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.681 -0.966 -10.532 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.195 0.011 -10.593 1.00 0.00 H new ATOM 469 N ASP A 32 9.958 -1.343 -7.126 1.00 0.00 N ATOM 470 CA ASP A 32 10.783 -2.559 -6.890 1.00 0.00 C ATOM 471 C ASP A 32 9.905 -3.595 -6.191 1.00 0.00 C ATOM 472 O ASP A 32 9.994 -4.781 -6.441 1.00 0.00 O ATOM 473 CB ASP A 32 11.978 -2.209 -6.000 1.00 0.00 C ATOM 474 CG ASP A 32 12.929 -1.285 -6.763 1.00 0.00 C ATOM 475 OD1 ASP A 32 12.755 -1.148 -7.962 1.00 0.00 O ATOM 476 OD2 ASP A 32 13.815 -0.730 -6.133 1.00 0.00 O ATOM 0 H ASP A 32 10.318 -0.484 -6.710 1.00 0.00 H new ATOM 0 HA ASP A 32 11.157 -2.953 -7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.635 -1.722 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.500 -3.118 -5.700 1.00 0.00 H new ATOM 481 N ASN A 33 9.044 -3.140 -5.324 1.00 0.00 N ATOM 482 CA ASN A 33 8.131 -4.067 -4.606 1.00 0.00 C ATOM 483 C ASN A 33 6.899 -4.310 -5.470 1.00 0.00 C ATOM 484 O ASN A 33 5.886 -4.793 -5.004 1.00 0.00 O ATOM 485 CB ASN A 33 7.708 -3.447 -3.280 1.00 0.00 C ATOM 486 CG ASN A 33 8.948 -3.146 -2.442 1.00 0.00 C ATOM 487 OD1 ASN A 33 9.823 -3.977 -2.307 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.061 -1.979 -1.880 1.00 0.00 N ATOM 0 H ASN A 33 8.934 -2.155 -5.081 1.00 0.00 H new ATOM 0 HA ASN A 33 8.641 -5.010 -4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.145 -2.531 -3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.048 -4.128 -2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.887 -1.759 -1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.324 -1.284 -1.996 1.00 0.00 H new ATOM 495 N GLY A 34 6.980 -3.968 -6.728 1.00 0.00 N ATOM 496 CA GLY A 34 5.821 -4.170 -7.642 1.00 0.00 C ATOM 497 C GLY A 34 5.203 -5.541 -7.375 1.00 0.00 C ATOM 498 O GLY A 34 4.099 -5.826 -7.788 1.00 0.00 O ATOM 0 H GLY A 34 7.805 -3.555 -7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.079 -3.387 -7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.145 -4.100 -8.680 1.00 0.00 H new ATOM 502 N VAL A 35 5.904 -6.389 -6.679 1.00 0.00 N ATOM 503 CA VAL A 35 5.351 -7.739 -6.380 1.00 0.00 C ATOM 504 C VAL A 35 3.952 -7.577 -5.784 1.00 0.00 C ATOM 505 O VAL A 35 3.070 -8.382 -6.009 1.00 0.00 O ATOM 506 CB VAL A 35 6.256 -8.446 -5.369 1.00 0.00 C ATOM 507 CG1 VAL A 35 5.565 -9.712 -4.858 1.00 0.00 C ATOM 508 CG2 VAL A 35 7.576 -8.825 -6.045 1.00 0.00 C ATOM 0 H VAL A 35 6.835 -6.207 -6.304 1.00 0.00 H new ATOM 0 HA VAL A 35 5.299 -8.331 -7.294 1.00 0.00 H new ATOM 0 HB VAL A 35 6.453 -7.778 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.211 -10.214 -4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.625 -9.444 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.366 -10.381 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.222 -9.329 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.377 -9.492 -6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.071 -7.924 -6.408 1.00 0.00 H new ATOM 518 N ILE A 36 3.749 -6.542 -5.018 1.00 0.00 N ATOM 519 CA ILE A 36 2.415 -6.317 -4.394 1.00 0.00 C ATOM 520 C ILE A 36 1.390 -5.918 -5.457 1.00 0.00 C ATOM 521 O ILE A 36 0.199 -6.049 -5.265 1.00 0.00 O ATOM 522 CB ILE A 36 2.519 -5.178 -3.382 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.389 -5.303 -2.365 1.00 0.00 C ATOM 524 CG2 ILE A 36 2.389 -3.841 -4.114 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.389 -4.084 -1.441 1.00 0.00 C ATOM 0 H ILE A 36 4.453 -5.838 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 36 2.099 -7.240 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 36 3.481 -5.228 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.431 -5.381 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.512 -6.215 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.463 -3.024 -3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.188 -3.750 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.424 -3.795 -4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.580 -4.177 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.342 -4.026 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.244 -3.180 -2.032 1.00 0.00 H new ATOM 537 N ASP A 37 1.845 -5.395 -6.555 1.00 0.00 N ATOM 538 CA ASP A 37 0.908 -4.935 -7.624 1.00 0.00 C ATOM 539 C ASP A 37 -0.047 -6.051 -8.065 1.00 0.00 C ATOM 540 O ASP A 37 -1.185 -5.787 -8.400 1.00 0.00 O ATOM 541 CB ASP A 37 1.712 -4.462 -8.836 1.00 0.00 C ATOM 542 CG ASP A 37 2.522 -3.220 -8.459 1.00 0.00 C ATOM 543 OD1 ASP A 37 2.242 -2.646 -7.420 1.00 0.00 O ATOM 544 OD2 ASP A 37 3.410 -2.863 -9.217 1.00 0.00 O ATOM 0 H ASP A 37 2.834 -5.263 -6.765 1.00 0.00 H new ATOM 0 HA ASP A 37 0.312 -4.119 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.379 -5.255 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.041 -4.234 -9.664 1.00 0.00 H new ATOM 549 N SER A 38 0.398 -7.280 -8.106 1.00 0.00 N ATOM 550 CA SER A 38 -0.508 -8.378 -8.568 1.00 0.00 C ATOM 551 C SER A 38 -0.811 -9.368 -7.441 1.00 0.00 C ATOM 552 O SER A 38 -1.944 -9.520 -7.029 1.00 0.00 O ATOM 553 CB SER A 38 0.153 -9.123 -9.727 1.00 0.00 C ATOM 554 OG SER A 38 0.350 -8.216 -10.819 1.00 0.00 O ATOM 0 H SER A 38 1.340 -7.571 -7.843 1.00 0.00 H new ATOM 0 HA SER A 38 -1.448 -7.929 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.108 -9.541 -9.409 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.472 -9.959 -10.041 1.00 0.00 H new ATOM 0 HG SER A 38 0.775 -8.689 -11.564 1.00 0.00 H new ATOM 559 N LEU A 39 0.179 -10.065 -6.960 1.00 0.00 N ATOM 560 CA LEU A 39 -0.077 -11.066 -5.887 1.00 0.00 C ATOM 561 C LEU A 39 -0.586 -10.372 -4.629 1.00 0.00 C ATOM 562 O LEU A 39 -1.606 -10.734 -4.077 1.00 0.00 O ATOM 563 CB LEU A 39 1.221 -11.812 -5.571 1.00 0.00 C ATOM 564 CG LEU A 39 0.939 -12.959 -4.596 1.00 0.00 C ATOM 565 CD1 LEU A 39 1.786 -14.173 -4.981 1.00 0.00 C ATOM 566 CD2 LEU A 39 1.303 -12.522 -3.174 1.00 0.00 C ATOM 0 H LEU A 39 1.150 -9.986 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.834 -11.771 -6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.659 -12.203 -6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.949 -11.126 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.118 -13.220 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.587 -14.990 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.533 -14.486 -5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.842 -13.909 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.102 -13.338 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.361 -12.262 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.705 -11.654 -2.896 1.00 0.00 H new ATOM 578 N GLY A 40 0.112 -9.378 -4.171 1.00 0.00 N ATOM 579 CA GLY A 40 -0.335 -8.661 -2.948 1.00 0.00 C ATOM 580 C GLY A 40 -1.586 -7.844 -3.256 1.00 0.00 C ATOM 581 O GLY A 40 -2.492 -7.750 -2.453 1.00 0.00 O ATOM 0 H GLY A 40 0.974 -9.029 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.543 -9.376 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.459 -8.006 -2.589 1.00 0.00 H new ATOM 585 N LEU A 41 -1.642 -7.244 -4.413 1.00 0.00 N ATOM 586 CA LEU A 41 -2.835 -6.426 -4.763 1.00 0.00 C ATOM 587 C LEU A 41 -4.083 -7.304 -4.712 1.00 0.00 C ATOM 588 O LEU A 41 -5.120 -6.897 -4.227 1.00 0.00 O ATOM 589 CB LEU A 41 -2.669 -5.860 -6.175 1.00 0.00 C ATOM 590 CG LEU A 41 -3.821 -4.902 -6.491 1.00 0.00 C ATOM 591 CD1 LEU A 41 -3.501 -3.512 -5.940 1.00 0.00 C ATOM 592 CD2 LEU A 41 -4.010 -4.819 -8.006 1.00 0.00 C ATOM 0 H LEU A 41 -0.916 -7.285 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.936 -5.606 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.716 -5.337 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.650 -6.672 -6.902 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.736 -5.271 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.323 -2.833 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.366 -3.571 -4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.586 -3.140 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.830 -4.138 -8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.094 -4.451 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.242 -5.809 -8.399 1.00 0.00 H new ATOM 604 N LEU A 42 -3.996 -8.505 -5.206 1.00 0.00 N ATOM 605 CA LEU A 42 -5.187 -9.397 -5.179 1.00 0.00 C ATOM 606 C LEU A 42 -5.587 -9.646 -3.725 1.00 0.00 C ATOM 607 O LEU A 42 -6.748 -9.590 -3.371 1.00 0.00 O ATOM 608 CB LEU A 42 -4.843 -10.728 -5.854 1.00 0.00 C ATOM 609 CG LEU A 42 -6.104 -11.580 -5.984 1.00 0.00 C ATOM 610 CD1 LEU A 42 -6.853 -11.178 -7.251 1.00 0.00 C ATOM 611 CD2 LEU A 42 -5.714 -13.058 -6.069 1.00 0.00 C ATOM 0 H LEU A 42 -3.157 -8.907 -5.625 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.014 -8.928 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.412 -10.547 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.092 -11.260 -5.270 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.743 -11.424 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.754 -11.783 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.128 -10.125 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.213 -11.338 -8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.613 -13.667 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.077 -13.217 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.174 -13.344 -5.167 1.00 0.00 H new ATOM 623 N LYS A 43 -4.631 -9.912 -2.877 1.00 0.00 N ATOM 624 CA LYS A 43 -4.949 -10.154 -1.445 1.00 0.00 C ATOM 625 C LYS A 43 -5.444 -8.857 -0.802 1.00 0.00 C ATOM 626 O LYS A 43 -6.356 -8.857 0.000 1.00 0.00 O ATOM 627 CB LYS A 43 -3.690 -10.634 -0.729 1.00 0.00 C ATOM 628 CG LYS A 43 -3.265 -11.990 -1.295 1.00 0.00 C ATOM 629 CD LYS A 43 -2.071 -12.525 -0.502 1.00 0.00 C ATOM 630 CE LYS A 43 -1.574 -13.822 -1.141 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.587 -14.476 -0.236 1.00 0.00 N ATOM 0 H LYS A 43 -3.641 -9.972 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.728 -10.912 -1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.887 -9.908 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.877 -10.718 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.095 -12.694 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.000 -11.889 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.271 -11.785 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.360 -12.705 0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.413 -14.493 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.114 -13.611 -2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.249 -15.358 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.218 -13.836 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.040 -14.691 0.675 1.00 0.00 H new ATOM 645 N VAL A 44 -4.840 -7.750 -1.144 1.00 0.00 N ATOM 646 CA VAL A 44 -5.263 -6.451 -0.550 1.00 0.00 C ATOM 647 C VAL A 44 -6.688 -6.115 -0.990 1.00 0.00 C ATOM 648 O VAL A 44 -7.512 -5.707 -0.199 1.00 0.00 O ATOM 649 CB VAL A 44 -4.319 -5.349 -1.023 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.826 -3.997 -0.522 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.919 -5.610 -0.467 1.00 0.00 C ATOM 0 H VAL A 44 -4.070 -7.691 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.231 -6.527 0.537 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.281 -5.340 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.153 -3.209 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.825 -3.814 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.862 -4.003 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.242 -4.825 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.955 -5.616 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.560 -6.575 -0.824 1.00 0.00 H new ATOM 661 N ILE A 45 -6.981 -6.281 -2.248 1.00 0.00 N ATOM 662 CA ILE A 45 -8.347 -5.971 -2.743 1.00 0.00 C ATOM 663 C ILE A 45 -9.364 -6.872 -2.039 1.00 0.00 C ATOM 664 O ILE A 45 -10.375 -6.415 -1.543 1.00 0.00 O ATOM 665 CB ILE A 45 -8.392 -6.214 -4.255 1.00 0.00 C ATOM 666 CG1 ILE A 45 -8.166 -4.891 -4.992 1.00 0.00 C ATOM 667 CG2 ILE A 45 -9.751 -6.792 -4.653 1.00 0.00 C ATOM 668 CD1 ILE A 45 -6.927 -4.188 -4.433 1.00 0.00 C ATOM 0 H ILE A 45 -6.330 -6.619 -2.957 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.593 -4.930 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.609 -6.923 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.040 -5.076 -6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.040 -4.249 -4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.773 -6.961 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.911 -7.737 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.539 -6.090 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.772 -3.248 -4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.070 -3.988 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.054 -4.827 -4.567 1.00 0.00 H new ATOM 680 N ALA A 46 -9.105 -8.148 -1.997 1.00 0.00 N ATOM 681 CA ALA A 46 -10.056 -9.082 -1.333 1.00 0.00 C ATOM 682 C ALA A 46 -10.151 -8.755 0.158 1.00 0.00 C ATOM 683 O ALA A 46 -11.221 -8.737 0.733 1.00 0.00 O ATOM 684 CB ALA A 46 -9.546 -10.512 -1.503 1.00 0.00 C ATOM 0 H ALA A 46 -8.274 -8.586 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.042 -8.979 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.236 -11.204 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.477 -10.750 -2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.561 -10.604 -1.046 1.00 0.00 H new ATOM 690 N TRP A 47 -9.040 -8.498 0.789 1.00 0.00 N ATOM 691 CA TRP A 47 -9.066 -8.175 2.242 1.00 0.00 C ATOM 692 C TRP A 47 -9.647 -6.777 2.447 1.00 0.00 C ATOM 693 O TRP A 47 -10.426 -6.543 3.350 1.00 0.00 O ATOM 694 CB TRP A 47 -7.642 -8.230 2.795 1.00 0.00 C ATOM 695 CG TRP A 47 -7.519 -7.308 3.964 1.00 0.00 C ATOM 696 CD1 TRP A 47 -7.823 -7.623 5.244 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.058 -5.928 3.980 1.00 0.00 C ATOM 698 NE1 TRP A 47 -7.577 -6.521 6.045 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.103 -5.451 5.310 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.609 -5.053 2.976 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.715 -4.150 5.633 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.218 -3.745 3.296 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.270 -3.295 4.620 1.00 0.00 C ATOM 0 H TRP A 47 -8.114 -8.498 0.361 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.688 -8.899 2.767 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.398 -9.249 3.096 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.930 -7.947 2.020 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.196 -8.577 5.585 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.727 -6.501 7.054 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.565 -5.390 1.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.758 -3.807 6.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.875 -3.081 2.516 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.966 -2.287 4.860 1.00 0.00 H new ATOM 714 N LEU A 48 -9.270 -5.843 1.620 1.00 0.00 N ATOM 715 CA LEU A 48 -9.794 -4.460 1.771 1.00 0.00 C ATOM 716 C LEU A 48 -11.318 -4.476 1.647 1.00 0.00 C ATOM 717 O LEU A 48 -12.021 -3.880 2.439 1.00 0.00 O ATOM 718 CB LEU A 48 -9.197 -3.582 0.670 1.00 0.00 C ATOM 719 CG LEU A 48 -9.580 -2.125 0.899 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.618 -1.507 1.908 1.00 0.00 C ATOM 721 CD2 LEU A 48 -9.489 -1.367 -0.426 1.00 0.00 C ATOM 0 H LEU A 48 -8.621 -5.979 0.845 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.519 -4.063 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.112 -3.684 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.557 -3.912 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.598 -2.065 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.887 -0.464 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.678 -2.053 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.600 -1.561 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.762 -0.324 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.469 -1.421 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.171 -1.815 -1.149 1.00 0.00 H new ATOM 733 N GLU A 49 -11.838 -5.165 0.668 1.00 0.00 N ATOM 734 CA GLU A 49 -13.317 -5.228 0.511 1.00 0.00 C ATOM 735 C GLU A 49 -13.912 -5.971 1.706 1.00 0.00 C ATOM 736 O GLU A 49 -14.939 -5.603 2.234 1.00 0.00 O ATOM 737 CB GLU A 49 -13.659 -5.968 -0.789 1.00 0.00 C ATOM 738 CG GLU A 49 -15.173 -6.093 -0.938 1.00 0.00 C ATOM 739 CD GLU A 49 -15.498 -6.875 -2.212 1.00 0.00 C ATOM 740 OE1 GLU A 49 -14.567 -7.305 -2.873 1.00 0.00 O ATOM 741 OE2 GLU A 49 -16.672 -7.032 -2.504 1.00 0.00 O ATOM 0 H GLU A 49 -11.303 -5.685 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.731 -4.221 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.245 -5.431 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.203 -6.958 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.594 -6.600 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.628 -5.103 -0.980 1.00 0.00 H new ATOM 748 N ASP A 50 -13.267 -7.014 2.136 1.00 0.00 N ATOM 749 CA ASP A 50 -13.785 -7.789 3.296 1.00 0.00 C ATOM 750 C ASP A 50 -13.751 -6.935 4.567 1.00 0.00 C ATOM 751 O ASP A 50 -14.615 -7.035 5.415 1.00 0.00 O ATOM 752 CB ASP A 50 -12.908 -9.022 3.499 1.00 0.00 C ATOM 753 CG ASP A 50 -13.548 -9.940 4.542 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.652 -9.642 4.967 1.00 0.00 O ATOM 755 OD2 ASP A 50 -12.922 -10.925 4.898 1.00 0.00 O ATOM 0 H ASP A 50 -12.399 -7.366 1.733 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.815 -8.084 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.788 -9.555 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.912 -8.723 3.825 1.00 0.00 H new ATOM 760 N ARG A 51 -12.741 -6.125 4.722 1.00 0.00 N ATOM 761 CA ARG A 51 -12.630 -5.298 5.959 1.00 0.00 C ATOM 762 C ARG A 51 -13.403 -3.977 5.839 1.00 0.00 C ATOM 763 O ARG A 51 -14.149 -3.613 6.727 1.00 0.00 O ATOM 764 CB ARG A 51 -11.154 -4.993 6.225 1.00 0.00 C ATOM 765 CG ARG A 51 -11.016 -4.276 7.570 1.00 0.00 C ATOM 766 CD ARG A 51 -9.546 -3.939 7.821 1.00 0.00 C ATOM 767 NE ARG A 51 -9.396 -3.359 9.185 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.235 -3.384 9.781 1.00 0.00 C ATOM 769 NH1 ARG A 51 -7.205 -3.916 9.182 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.104 -2.877 10.977 1.00 0.00 N ATOM 0 H ARG A 51 -11.987 -5.999 4.047 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.064 -5.865 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.576 -5.917 6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.750 -4.371 5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.614 -3.365 7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.397 -4.908 8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.935 -4.836 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.191 -3.231 7.072 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.201 -2.942 9.653 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.307 -4.312 8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.298 -3.935 9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.909 -2.461 11.446 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.197 -2.897 11.443 1.00 0.00 H new ATOM 784 N PHE A 52 -13.209 -3.233 4.782 1.00 0.00 N ATOM 785 CA PHE A 52 -13.912 -1.924 4.668 1.00 0.00 C ATOM 786 C PHE A 52 -15.170 -2.038 3.803 1.00 0.00 C ATOM 787 O PHE A 52 -15.914 -1.088 3.662 1.00 0.00 O ATOM 788 CB PHE A 52 -12.958 -0.910 4.040 1.00 0.00 C ATOM 789 CG PHE A 52 -11.799 -0.661 4.975 1.00 0.00 C ATOM 790 CD1 PHE A 52 -11.927 0.267 6.016 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.597 -1.357 4.801 1.00 0.00 C ATOM 792 CE1 PHE A 52 -10.852 0.498 6.883 1.00 0.00 C ATOM 793 CE2 PHE A 52 -9.522 -1.125 5.668 1.00 0.00 C ATOM 794 CZ PHE A 52 -9.650 -0.197 6.709 1.00 0.00 C ATOM 0 H PHE A 52 -12.600 -3.473 4.000 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.216 -1.604 5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.593 -1.283 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.484 0.023 3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -12.854 0.804 6.150 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.499 -2.073 3.998 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.951 1.213 7.686 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.594 -1.662 5.534 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.821 -0.018 7.378 1.00 0.00 H new ATOM 804 N GLY A 53 -15.425 -3.173 3.219 1.00 0.00 N ATOM 805 CA GLY A 53 -16.645 -3.294 2.371 1.00 0.00 C ATOM 806 C GLY A 53 -16.463 -2.444 1.113 1.00 0.00 C ATOM 807 O GLY A 53 -17.415 -1.946 0.546 1.00 0.00 O ATOM 0 H GLY A 53 -14.851 -4.013 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.813 -4.336 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.523 -2.963 2.925 1.00 0.00 H new ATOM 811 N ILE A 54 -15.245 -2.266 0.678 1.00 0.00 N ATOM 812 CA ILE A 54 -15.002 -1.438 -0.538 1.00 0.00 C ATOM 813 C ILE A 54 -14.904 -2.342 -1.767 1.00 0.00 C ATOM 814 O ILE A 54 -14.312 -3.399 -1.727 1.00 0.00 O ATOM 815 CB ILE A 54 -13.694 -0.665 -0.368 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.786 0.213 0.881 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.459 0.218 -1.595 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.403 0.773 1.213 1.00 0.00 C ATOM 0 H ILE A 54 -14.409 -2.658 1.111 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.827 -0.739 -0.672 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.866 -1.366 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.490 1.028 0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.166 -0.369 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.526 0.769 -1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.398 -0.406 -2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.285 0.921 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.468 1.399 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.712 -0.050 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.041 1.370 0.376 1.00 0.00 H new ATOM 830 N ALA A 55 -15.486 -1.932 -2.859 1.00 0.00 N ATOM 831 CA ALA A 55 -15.440 -2.766 -4.093 1.00 0.00 C ATOM 832 C ALA A 55 -13.989 -2.946 -4.539 1.00 0.00 C ATOM 833 O ALA A 55 -13.140 -2.114 -4.287 1.00 0.00 O ATOM 834 CB ALA A 55 -16.232 -2.074 -5.204 1.00 0.00 C ATOM 0 H ALA A 55 -15.994 -1.052 -2.951 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.878 -3.743 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.199 -2.683 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.268 -1.948 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.794 -1.097 -5.409 1.00 0.00 H new ATOM 840 N ALA A 56 -13.699 -4.036 -5.195 1.00 0.00 N ATOM 841 CA ALA A 56 -12.305 -4.286 -5.654 1.00 0.00 C ATOM 842 C ALA A 56 -11.853 -3.155 -6.580 1.00 0.00 C ATOM 843 O ALA A 56 -10.687 -2.819 -6.637 1.00 0.00 O ATOM 844 CB ALA A 56 -12.254 -5.613 -6.415 1.00 0.00 C ATOM 0 H ALA A 56 -14.370 -4.766 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.643 -4.330 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.235 -5.800 -6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.572 -6.422 -5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.919 -5.564 -7.277 1.00 0.00 H new ATOM 850 N ASP A 57 -12.763 -2.569 -7.308 1.00 0.00 N ATOM 851 CA ASP A 57 -12.380 -1.464 -8.233 1.00 0.00 C ATOM 852 C ASP A 57 -11.267 -1.948 -9.165 1.00 0.00 C ATOM 853 O ASP A 57 -10.285 -1.267 -9.385 1.00 0.00 O ATOM 854 CB ASP A 57 -11.887 -0.263 -7.425 1.00 0.00 C ATOM 855 CG ASP A 57 -13.038 0.295 -6.585 1.00 0.00 C ATOM 856 OD1 ASP A 57 -14.171 -0.070 -6.851 1.00 0.00 O ATOM 857 OD2 ASP A 57 -12.766 1.078 -5.690 1.00 0.00 O ATOM 0 H ASP A 57 -13.755 -2.807 -7.303 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.247 -1.167 -8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.062 -0.561 -6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.505 0.507 -8.095 1.00 0.00 H new ATOM 862 N ASP A 58 -11.415 -3.124 -9.711 1.00 0.00 N ATOM 863 CA ASP A 58 -10.371 -3.664 -10.626 1.00 0.00 C ATOM 864 C ASP A 58 -10.737 -3.339 -12.076 1.00 0.00 C ATOM 865 O ASP A 58 -10.225 -3.934 -13.004 1.00 0.00 O ATOM 866 CB ASP A 58 -10.279 -5.179 -10.453 1.00 0.00 C ATOM 867 CG ASP A 58 -9.748 -5.503 -9.055 1.00 0.00 C ATOM 868 OD1 ASP A 58 -9.266 -4.593 -8.400 1.00 0.00 O ATOM 869 OD2 ASP A 58 -9.832 -6.655 -8.663 1.00 0.00 O ATOM 0 H ASP A 58 -12.217 -3.736 -9.562 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.410 -3.209 -10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.260 -5.632 -10.595 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.620 -5.603 -11.211 1.00 0.00 H new ATOM 874 N VAL A 59 -11.625 -2.406 -12.282 1.00 0.00 N ATOM 875 CA VAL A 59 -12.025 -2.056 -13.674 1.00 0.00 C ATOM 876 C VAL A 59 -10.785 -1.688 -14.492 1.00 0.00 C ATOM 877 O VAL A 59 -10.631 -2.106 -15.622 1.00 0.00 O ATOM 878 CB VAL A 59 -12.985 -0.870 -13.644 1.00 0.00 C ATOM 879 CG1 VAL A 59 -13.206 -0.354 -15.067 1.00 0.00 C ATOM 880 CG2 VAL A 59 -14.324 -1.312 -13.049 1.00 0.00 C ATOM 0 H VAL A 59 -12.090 -1.872 -11.548 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.517 -2.913 -14.133 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.559 -0.075 -13.032 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.892 0.493 -15.045 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.253 -0.038 -15.492 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -13.631 -1.149 -15.680 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.010 -0.465 -13.027 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -14.749 -2.108 -13.661 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -14.168 -1.678 -12.034 1.00 0.00 H new ATOM 890 N GLU A 60 -9.898 -0.913 -13.933 1.00 0.00 N ATOM 891 CA GLU A 60 -8.670 -0.529 -14.687 1.00 0.00 C ATOM 892 C GLU A 60 -7.479 -0.442 -13.729 1.00 0.00 C ATOM 893 O GLU A 60 -7.499 0.298 -12.766 1.00 0.00 O ATOM 894 CB GLU A 60 -8.887 0.832 -15.353 1.00 0.00 C ATOM 895 CG GLU A 60 -7.691 1.164 -16.237 1.00 0.00 C ATOM 896 CD GLU A 60 -7.859 2.569 -16.820 1.00 0.00 C ATOM 897 OE1 GLU A 60 -8.848 3.208 -16.500 1.00 0.00 O ATOM 898 OE2 GLU A 60 -6.995 2.982 -17.576 1.00 0.00 O ATOM 0 H GLU A 60 -9.969 -0.530 -12.990 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.465 -1.282 -15.448 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.799 0.815 -15.949 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.016 1.603 -14.594 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.770 1.108 -15.657 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.606 0.433 -17.041 1.00 0.00 H new ATOM 905 N LEU A 61 -6.439 -1.188 -13.994 1.00 0.00 N ATOM 906 CA LEU A 61 -5.240 -1.147 -13.110 1.00 0.00 C ATOM 907 C LEU A 61 -3.990 -0.926 -13.965 1.00 0.00 C ATOM 908 O LEU A 61 -3.856 -1.485 -15.036 1.00 0.00 O ATOM 909 CB LEU A 61 -5.113 -2.472 -12.356 1.00 0.00 C ATOM 910 CG LEU A 61 -6.447 -2.811 -11.693 1.00 0.00 C ATOM 911 CD1 LEU A 61 -7.228 -3.783 -12.579 1.00 0.00 C ATOM 912 CD2 LEU A 61 -6.188 -3.459 -10.333 1.00 0.00 C ATOM 0 H LEU A 61 -6.369 -1.825 -14.787 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.343 -0.332 -12.393 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.824 -3.267 -13.043 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.328 -2.400 -11.603 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.027 -1.898 -11.558 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.179 -4.024 -12.104 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.413 -3.322 -13.549 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.649 -4.696 -12.715 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.139 -3.702 -9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.607 -4.371 -10.469 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.633 -2.767 -9.700 1.00 0.00 H new ATOM 924 N SER A 62 -3.069 -0.123 -13.505 1.00 0.00 N ATOM 925 CA SER A 62 -1.834 0.116 -14.302 1.00 0.00 C ATOM 926 C SER A 62 -0.638 0.291 -13.357 1.00 0.00 C ATOM 927 O SER A 62 -0.786 0.746 -12.240 1.00 0.00 O ATOM 928 CB SER A 62 -2.008 1.379 -15.144 1.00 0.00 C ATOM 929 OG SER A 62 -1.855 1.051 -16.519 1.00 0.00 O ATOM 0 H SER A 62 -3.118 0.375 -12.616 1.00 0.00 H new ATOM 0 HA SER A 62 -1.655 -0.736 -14.957 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.992 1.814 -14.969 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.272 2.128 -14.853 1.00 0.00 H new ATOM 0 HG SER A 62 -1.968 1.859 -17.062 1.00 0.00 H new ATOM 935 N PRO A 63 0.542 -0.066 -13.804 1.00 0.00 N ATOM 936 CA PRO A 63 1.784 0.057 -12.985 1.00 0.00 C ATOM 937 C PRO A 63 2.100 1.511 -12.626 1.00 0.00 C ATOM 938 O PRO A 63 2.778 1.789 -11.657 1.00 0.00 O ATOM 939 CB PRO A 63 2.888 -0.519 -13.880 1.00 0.00 C ATOM 940 CG PRO A 63 2.337 -0.510 -15.267 1.00 0.00 C ATOM 941 CD PRO A 63 0.821 -0.620 -15.136 1.00 0.00 C ATOM 0 HA PRO A 63 1.684 -0.465 -12.033 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.795 0.082 -13.816 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.153 -1.530 -13.572 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.615 0.406 -15.788 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.737 -1.341 -15.848 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.310 -0.058 -15.918 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.487 -1.654 -15.217 1.00 0.00 H new ATOM 949 N GLU A 64 1.620 2.440 -13.407 1.00 0.00 N ATOM 950 CA GLU A 64 1.900 3.875 -13.122 1.00 0.00 C ATOM 951 C GLU A 64 1.335 4.257 -11.752 1.00 0.00 C ATOM 952 O GLU A 64 1.871 5.101 -11.062 1.00 0.00 O ATOM 953 CB GLU A 64 1.243 4.739 -14.197 1.00 0.00 C ATOM 954 CG GLU A 64 1.885 4.449 -15.549 1.00 0.00 C ATOM 955 CD GLU A 64 1.277 5.364 -16.613 1.00 0.00 C ATOM 956 OE1 GLU A 64 0.305 6.034 -16.305 1.00 0.00 O ATOM 957 OE2 GLU A 64 1.793 5.379 -17.719 1.00 0.00 O ATOM 0 H GLU A 64 1.045 2.266 -14.231 1.00 0.00 H new ATOM 0 HA GLU A 64 2.978 4.037 -13.122 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.173 4.534 -14.239 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.355 5.794 -13.949 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.962 4.606 -15.492 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.729 3.405 -15.821 1.00 0.00 H new ATOM 964 N HIS A 65 0.249 3.653 -11.359 1.00 0.00 N ATOM 965 CA HIS A 65 -0.362 3.989 -10.041 1.00 0.00 C ATOM 966 C HIS A 65 0.476 3.416 -8.892 1.00 0.00 C ATOM 967 O HIS A 65 0.439 3.911 -7.783 1.00 0.00 O ATOM 968 CB HIS A 65 -1.774 3.405 -9.976 1.00 0.00 C ATOM 969 CG HIS A 65 -2.422 3.809 -8.681 1.00 0.00 C ATOM 970 ND1 HIS A 65 -2.687 5.136 -8.370 1.00 0.00 N ATOM 971 CD2 HIS A 65 -2.863 3.076 -7.607 1.00 0.00 C ATOM 972 CE1 HIS A 65 -3.262 5.160 -7.154 1.00 0.00 C ATOM 973 NE2 HIS A 65 -3.391 3.933 -6.647 1.00 0.00 N ATOM 0 H HIS A 65 -0.244 2.939 -11.895 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.399 5.074 -9.939 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.366 3.762 -10.819 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.734 2.318 -10.052 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.808 2.001 -7.521 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.580 6.061 -6.651 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.792 3.677 -5.745 1.00 0.00 H new ATOM 982 N PHE A 66 1.207 2.363 -9.133 1.00 0.00 N ATOM 983 CA PHE A 66 2.015 1.751 -8.036 1.00 0.00 C ATOM 984 C PHE A 66 3.455 2.275 -8.059 1.00 0.00 C ATOM 985 O PHE A 66 4.304 1.799 -7.332 1.00 0.00 O ATOM 986 CB PHE A 66 2.022 0.232 -8.213 1.00 0.00 C ATOM 987 CG PHE A 66 0.608 -0.286 -8.114 1.00 0.00 C ATOM 988 CD1 PHE A 66 0.021 -0.484 -6.859 1.00 0.00 C ATOM 989 CD2 PHE A 66 -0.118 -0.565 -9.278 1.00 0.00 C ATOM 990 CE1 PHE A 66 -1.292 -0.961 -6.767 1.00 0.00 C ATOM 991 CE2 PHE A 66 -1.431 -1.043 -9.187 1.00 0.00 C ATOM 992 CZ PHE A 66 -2.018 -1.241 -7.931 1.00 0.00 C ATOM 0 H PHE A 66 1.281 1.900 -10.039 1.00 0.00 H new ATOM 0 HA PHE A 66 1.569 2.018 -7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.452 -0.031 -9.180 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.646 -0.232 -7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.581 -0.269 -5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.335 -0.412 -10.246 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.745 -1.113 -5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.991 -1.259 -10.085 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.031 -1.610 -7.860 1.00 0.00 H new ATOM 1002 N ARG A 67 3.746 3.241 -8.884 1.00 0.00 N ATOM 1003 CA ARG A 67 5.140 3.773 -8.939 1.00 0.00 C ATOM 1004 C ARG A 67 5.555 4.336 -7.576 1.00 0.00 C ATOM 1005 O ARG A 67 6.692 4.206 -7.169 1.00 0.00 O ATOM 1006 CB ARG A 67 5.227 4.879 -9.992 1.00 0.00 C ATOM 1007 CG ARG A 67 4.988 4.290 -11.382 1.00 0.00 C ATOM 1008 CD ARG A 67 6.269 3.628 -11.902 1.00 0.00 C ATOM 1009 NE ARG A 67 6.095 3.279 -13.340 1.00 0.00 N ATOM 1010 CZ ARG A 67 6.930 2.459 -13.918 1.00 0.00 C ATOM 1011 NH1 ARG A 67 7.916 1.945 -13.236 1.00 0.00 N ATOM 1012 NH2 ARG A 67 6.778 2.154 -15.178 1.00 0.00 N ATOM 0 H ARG A 67 3.084 3.685 -9.521 1.00 0.00 H new ATOM 0 HA ARG A 67 5.813 2.957 -9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.488 5.652 -9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.207 5.355 -9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.182 3.558 -11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.671 5.075 -12.068 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.116 4.303 -11.780 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.490 2.732 -11.323 1.00 0.00 H new ATOM 0 HE ARG A 67 5.323 3.681 -13.873 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.034 2.184 -12.251 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.569 1.304 -13.687 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.007 2.556 -15.711 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.430 1.513 -15.630 1.00 0.00 H new ATOM 1026 N SER A 68 4.658 4.969 -6.867 1.00 0.00 N ATOM 1027 CA SER A 68 5.043 5.536 -5.541 1.00 0.00 C ATOM 1028 C SER A 68 3.895 5.382 -4.539 1.00 0.00 C ATOM 1029 O SER A 68 2.738 5.315 -4.903 1.00 0.00 O ATOM 1030 CB SER A 68 5.376 7.019 -5.704 1.00 0.00 C ATOM 1031 OG SER A 68 4.190 7.733 -6.030 1.00 0.00 O ATOM 0 H SER A 68 3.687 5.117 -7.144 1.00 0.00 H new ATOM 0 HA SER A 68 5.913 4.997 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.808 7.410 -4.783 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.122 7.152 -6.488 1.00 0.00 H new ATOM 0 HG SER A 68 4.399 8.685 -6.134 1.00 0.00 H new ATOM 1037 N ILE A 69 4.217 5.335 -3.274 1.00 0.00 N ATOM 1038 CA ILE A 69 3.172 5.196 -2.228 1.00 0.00 C ATOM 1039 C ILE A 69 2.284 6.444 -2.211 1.00 0.00 C ATOM 1040 O ILE A 69 1.097 6.370 -1.963 1.00 0.00 O ATOM 1041 CB ILE A 69 3.854 5.044 -0.868 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.739 3.803 -0.872 1.00 0.00 C ATOM 1043 CG2 ILE A 69 2.801 4.892 0.213 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.577 3.766 0.407 1.00 0.00 C ATOM 0 H ILE A 69 5.172 5.388 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 69 2.556 4.322 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 69 4.461 5.928 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.124 2.906 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.391 3.812 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.288 4.784 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.161 5.775 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.196 4.008 0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.209 2.878 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.203 4.657 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.917 3.737 1.274 1.00 0.00 H new ATOM 1056 N ARG A 70 2.857 7.592 -2.450 1.00 0.00 N ATOM 1057 CA ARG A 70 2.056 8.850 -2.422 1.00 0.00 C ATOM 1058 C ARG A 70 0.944 8.800 -3.472 1.00 0.00 C ATOM 1059 O ARG A 70 -0.152 9.271 -3.243 1.00 0.00 O ATOM 1060 CB ARG A 70 2.974 10.038 -2.716 1.00 0.00 C ATOM 1061 CG ARG A 70 4.017 10.164 -1.604 1.00 0.00 C ATOM 1062 CD ARG A 70 4.853 11.426 -1.827 1.00 0.00 C ATOM 1063 NE ARG A 70 5.474 11.377 -3.181 1.00 0.00 N ATOM 1064 CZ ARG A 70 6.466 12.173 -3.472 1.00 0.00 C ATOM 1065 NH1 ARG A 70 6.915 13.010 -2.577 1.00 0.00 N ATOM 1066 NH2 ARG A 70 7.010 12.132 -4.658 1.00 0.00 N ATOM 0 H ARG A 70 3.847 7.714 -2.664 1.00 0.00 H new ATOM 0 HA ARG A 70 1.605 8.959 -1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.467 9.901 -3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.389 10.955 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.525 10.208 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.662 9.285 -1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.225 12.312 -1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.627 11.503 -1.063 1.00 0.00 H new ATOM 0 HE ARG A 70 5.124 10.722 -3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.490 13.042 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.691 13.632 -2.804 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.660 11.478 -5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.785 12.754 -4.885 1.00 0.00 H new ATOM 1080 N SER A 71 1.205 8.240 -4.621 1.00 0.00 N ATOM 1081 CA SER A 71 0.141 8.179 -5.664 1.00 0.00 C ATOM 1082 C SER A 71 -1.065 7.418 -5.111 1.00 0.00 C ATOM 1083 O SER A 71 -2.195 7.844 -5.240 1.00 0.00 O ATOM 1084 CB SER A 71 0.679 7.456 -6.900 1.00 0.00 C ATOM 1085 OG SER A 71 -0.260 7.579 -7.960 1.00 0.00 O ATOM 0 H SER A 71 2.100 7.826 -4.882 1.00 0.00 H new ATOM 0 HA SER A 71 -0.160 9.190 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.638 7.882 -7.196 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.854 6.404 -6.673 1.00 0.00 H new ATOM 0 HG SER A 71 -0.874 6.815 -7.943 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.829 6.298 -4.487 1.00 0.00 N ATOM 1092 CA ILE A 72 -1.944 5.506 -3.912 1.00 0.00 C ATOM 1093 C ILE A 72 -2.556 6.264 -2.732 1.00 0.00 C ATOM 1094 O ILE A 72 -3.752 6.243 -2.519 1.00 0.00 O ATOM 1095 CB ILE A 72 -1.400 4.163 -3.431 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.779 3.412 -4.611 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -2.540 3.338 -2.847 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -0.123 2.125 -4.108 1.00 0.00 C ATOM 0 H ILE A 72 0.099 5.896 -4.351 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.711 5.344 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.640 4.329 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.545 3.178 -5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.039 4.040 -5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.155 2.378 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.984 3.873 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.298 3.171 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.319 1.590 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.654 2.371 -3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.875 1.495 -3.632 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.738 6.918 -1.954 1.00 0.00 N ATOM 1111 CA ASP A 73 -2.256 7.662 -0.775 1.00 0.00 C ATOM 1112 C ASP A 73 -3.332 8.658 -1.211 1.00 0.00 C ATOM 1113 O ASP A 73 -4.344 8.815 -0.558 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.102 8.424 -0.126 1.00 0.00 C ATOM 1115 CG ASP A 73 -0.076 7.432 0.421 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -0.389 6.255 0.473 1.00 0.00 O ATOM 1117 OD2 ASP A 73 1.008 7.865 0.772 1.00 0.00 O ATOM 0 H ASP A 73 -0.728 6.968 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.690 6.957 -0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.632 9.083 -0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.477 9.056 0.679 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.124 9.338 -2.304 1.00 0.00 N ATOM 1123 CA ALA A 74 -4.142 10.324 -2.762 1.00 0.00 C ATOM 1124 C ALA A 74 -5.422 9.595 -3.163 1.00 0.00 C ATOM 1125 O ALA A 74 -6.512 9.987 -2.796 1.00 0.00 O ATOM 1126 CB ALA A 74 -3.598 11.103 -3.962 1.00 0.00 C ATOM 0 H ALA A 74 -2.298 9.255 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.362 11.017 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.344 11.824 -4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.689 11.629 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.373 10.411 -4.774 1.00 0.00 H new ATOM 1132 N PHE A 75 -5.302 8.535 -3.909 1.00 0.00 N ATOM 1133 CA PHE A 75 -6.517 7.784 -4.325 1.00 0.00 C ATOM 1134 C PHE A 75 -7.205 7.208 -3.087 1.00 0.00 C ATOM 1135 O PHE A 75 -8.405 7.308 -2.926 1.00 0.00 O ATOM 1136 CB PHE A 75 -6.120 6.647 -5.264 1.00 0.00 C ATOM 1137 CG PHE A 75 -7.362 5.962 -5.782 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -8.027 6.472 -6.903 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -7.848 4.816 -5.141 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -9.178 5.836 -7.383 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -8.999 4.180 -5.621 1.00 0.00 C ATOM 1142 CZ PHE A 75 -9.664 4.691 -6.742 1.00 0.00 C ATOM 0 H PHE A 75 -4.418 8.156 -4.248 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.201 8.457 -4.843 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.533 7.037 -6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.490 5.930 -4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.652 7.356 -7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.335 4.423 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.691 6.229 -8.248 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.374 3.296 -5.127 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.553 4.201 -7.112 1.00 0.00 H new ATOM 1152 N VAL A 76 -6.451 6.606 -2.209 1.00 0.00 N ATOM 1153 CA VAL A 76 -7.050 6.023 -0.984 1.00 0.00 C ATOM 1154 C VAL A 76 -7.607 7.137 -0.094 1.00 0.00 C ATOM 1155 O VAL A 76 -8.702 7.040 0.419 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.973 5.252 -0.226 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.508 4.852 1.144 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.597 3.994 -1.012 1.00 0.00 C ATOM 0 H VAL A 76 -5.440 6.494 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.863 5.352 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.092 5.882 -0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.741 4.301 1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.778 5.747 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.389 4.222 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.828 3.443 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.478 3.363 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.217 4.278 -1.993 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.864 8.196 0.094 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.354 9.305 0.952 1.00 0.00 C ATOM 1170 C VAL A 77 -8.619 9.910 0.344 1.00 0.00 C ATOM 1171 O VAL A 77 -9.558 10.243 1.040 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.270 10.377 1.047 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.858 11.635 1.675 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.118 9.867 1.917 1.00 0.00 C ATOM 0 H VAL A 77 -5.939 8.337 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.585 8.923 1.946 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.897 10.605 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.087 12.402 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.679 12.000 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.230 11.404 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.346 10.633 1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.490 9.639 2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.697 8.965 1.472 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.647 10.063 -0.949 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.845 10.654 -1.607 1.00 0.00 C ATOM 1186 C GLY A 78 -11.092 9.828 -1.284 1.00 0.00 C ATOM 1187 O GLY A 78 -12.182 10.356 -1.186 1.00 0.00 O ATOM 0 H GLY A 78 -7.890 9.804 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.984 11.681 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.694 10.691 -2.686 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.950 8.536 -1.132 1.00 0.00 N ATOM 1192 CA ALA A 79 -12.143 7.691 -0.835 1.00 0.00 C ATOM 1193 C ALA A 79 -12.164 7.283 0.641 1.00 0.00 C ATOM 1194 O ALA A 79 -13.163 7.429 1.316 1.00 0.00 O ATOM 1195 CB ALA A 79 -12.100 6.433 -1.705 1.00 0.00 C ATOM 0 H ALA A 79 -10.065 8.033 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.042 8.268 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.970 5.813 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.107 6.718 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.192 5.871 -1.488 1.00 0.00 H new ATOM 1201 N THR A 80 -11.077 6.765 1.143 1.00 0.00 N ATOM 1202 CA THR A 80 -11.044 6.339 2.574 1.00 0.00 C ATOM 1203 C THR A 80 -9.787 6.883 3.254 1.00 0.00 C ATOM 1204 O THR A 80 -8.709 6.860 2.696 1.00 0.00 O ATOM 1205 CB THR A 80 -11.040 4.813 2.648 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.154 4.303 1.930 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.124 4.369 4.109 1.00 0.00 C ATOM 0 H THR A 80 -10.210 6.618 0.626 1.00 0.00 H new ATOM 0 HA THR A 80 -11.924 6.731 3.084 1.00 0.00 H new ATOM 0 HB THR A 80 -10.119 4.431 2.209 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.541 3.548 2.420 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.121 3.280 4.159 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.267 4.760 4.658 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.044 4.750 4.553 1.00 0.00 H new ATOM 1215 N THR A 81 -9.917 7.363 4.462 1.00 0.00 N ATOM 1216 CA THR A 81 -8.731 7.899 5.184 1.00 0.00 C ATOM 1217 C THR A 81 -8.649 7.258 6.575 1.00 0.00 C ATOM 1218 O THR A 81 -9.159 7.792 7.540 1.00 0.00 O ATOM 1219 CB THR A 81 -8.875 9.416 5.327 1.00 0.00 C ATOM 1220 OG1 THR A 81 -7.954 9.888 6.301 1.00 0.00 O ATOM 1221 CG2 THR A 81 -10.301 9.757 5.762 1.00 0.00 C ATOM 0 H THR A 81 -10.795 7.406 4.979 1.00 0.00 H new ATOM 0 HA THR A 81 -7.824 7.668 4.626 1.00 0.00 H new ATOM 0 HB THR A 81 -8.667 9.893 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.063 9.960 5.900 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.402 10.838 5.863 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.006 9.395 5.013 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.513 9.281 6.720 1.00 0.00 H new