USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 584 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD Single : A 1 ALA N :NH3+ -121:sc= 0.128 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.233 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.363 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.12) USER MOD Single : A 42 ASN : amide:sc= -0.97 X(o=-0.97,f=-0.78!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0481 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 51 MET CE :methyl 151:sc= -0.275 (180deg=-1.68!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 70 SER OG : rot 180:sc= -0.509 USER MOD Single : A 72 MET CE :methyl -157:sc= -1.09 (180deg=-2.29) USER MOD Single : A 74 LYS NZ :NH3+ -164:sc=-0.00985 (180deg=-0.279) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.0365 (180deg=-0.329) USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= -0.0358 (180deg=-0.521) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -33.643 -11.476 8.648 1.00 0.00 N ATOM 2 CA ALA A 1 -33.286 -10.031 8.729 1.00 0.00 C ATOM 3 C ALA A 1 -32.458 -9.640 7.508 1.00 0.00 C ATOM 4 O ALA A 1 -31.987 -10.501 6.764 1.00 0.00 O ATOM 5 CB ALA A 1 -32.482 -9.778 10.006 1.00 0.00 C ATOM 0 H1 ALA A 1 -34.678 -11.579 8.653 1.00 0.00 H new ATOM 0 H2 ALA A 1 -33.259 -11.880 7.770 1.00 0.00 H new ATOM 0 H3 ALA A 1 -33.241 -11.979 9.465 1.00 0.00 H new ATOM 0 HA ALA A 1 -34.195 -9.430 8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -32.220 -8.722 10.068 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -33.081 -10.054 10.874 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -31.572 -10.377 9.988 1.00 0.00 H new ATOM 13 N ASP A 2 -32.293 -8.336 7.302 1.00 0.00 N ATOM 14 CA ASP A 2 -31.526 -7.838 6.161 1.00 0.00 C ATOM 15 C ASP A 2 -30.062 -8.251 6.250 1.00 0.00 C ATOM 16 O ASP A 2 -29.468 -8.702 5.270 1.00 0.00 O ATOM 17 CB ASP A 2 -31.626 -6.314 6.092 1.00 0.00 C ATOM 18 CG ASP A 2 -33.028 -5.898 5.658 1.00 0.00 C ATOM 19 OD1 ASP A 2 -33.793 -6.768 5.274 1.00 0.00 O ATOM 20 OD2 ASP A 2 -33.318 -4.714 5.717 1.00 0.00 O ATOM 0 H ASP A 2 -32.677 -7.608 7.905 1.00 0.00 H new ATOM 0 HA ASP A 2 -31.948 -8.277 5.257 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -31.396 -5.883 7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -30.889 -5.925 5.389 1.00 0.00 H new ATOM 25 N ILE A 3 -29.492 -8.084 7.428 1.00 0.00 N ATOM 26 CA ILE A 3 -28.089 -8.430 7.654 1.00 0.00 C ATOM 27 C ILE A 3 -27.186 -7.648 6.713 1.00 0.00 C ATOM 28 O ILE A 3 -27.024 -8.008 5.546 1.00 0.00 O ATOM 29 CB ILE A 3 -27.882 -9.929 7.435 1.00 0.00 C ATOM 30 CG1 ILE A 3 -28.935 -10.700 8.233 1.00 0.00 C ATOM 31 CG2 ILE A 3 -26.480 -10.346 7.885 1.00 0.00 C ATOM 32 CD1 ILE A 3 -28.876 -10.323 9.723 1.00 0.00 C ATOM 0 H ILE A 3 -29.973 -7.712 8.247 1.00 0.00 H new ATOM 0 HA ILE A 3 -27.831 -8.173 8.681 1.00 0.00 H new ATOM 0 HB ILE A 3 -27.984 -10.155 6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -29.928 -10.484 7.838 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -28.772 -11.772 8.118 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -26.349 -11.416 7.722 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -25.735 -9.797 7.309 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -26.356 -10.122 8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -29.634 -10.884 10.270 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -27.890 -10.563 10.120 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -29.063 -9.255 9.836 1.00 0.00 H new ATOM 44 N LEU A 4 -26.611 -6.569 7.227 1.00 0.00 N ATOM 45 CA LEU A 4 -25.732 -5.727 6.423 1.00 0.00 C ATOM 46 C LEU A 4 -24.556 -6.536 5.919 1.00 0.00 C ATOM 47 O LEU A 4 -24.100 -6.315 4.803 1.00 0.00 O ATOM 48 CB LEU A 4 -25.227 -4.521 7.234 1.00 0.00 C ATOM 49 CG LEU A 4 -26.294 -3.415 7.258 1.00 0.00 C ATOM 50 CD1 LEU A 4 -26.445 -2.762 5.862 1.00 0.00 C ATOM 51 CD2 LEU A 4 -27.636 -4.017 7.700 1.00 0.00 C ATOM 0 H LEU A 4 -26.735 -6.257 8.190 1.00 0.00 H new ATOM 0 HA LEU A 4 -26.304 -5.354 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -24.991 -4.831 8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -24.305 -4.138 6.795 1.00 0.00 H new ATOM 0 HG LEU A 4 -25.984 -2.643 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -27.206 -1.983 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -25.494 -2.324 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -26.742 -3.519 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -28.396 -3.236 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -27.934 -4.797 6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -27.532 -4.446 8.697 1.00 0.00 H new ATOM 63 N SER A 5 -24.076 -7.465 6.744 1.00 0.00 N ATOM 64 CA SER A 5 -22.949 -8.319 6.373 1.00 0.00 C ATOM 65 C SER A 5 -21.626 -7.602 6.611 1.00 0.00 C ATOM 66 O SER A 5 -21.273 -7.327 7.758 1.00 0.00 O ATOM 67 CB SER A 5 -23.077 -8.775 4.908 1.00 0.00 C ATOM 68 OG SER A 5 -24.436 -9.080 4.637 1.00 0.00 O ATOM 0 H SER A 5 -24.451 -7.646 7.675 1.00 0.00 H new ATOM 0 HA SER A 5 -22.966 -9.206 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.726 -7.991 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.452 -9.650 4.730 1.00 0.00 H new ATOM 0 HG SER A 5 -24.527 -9.370 3.705 1.00 0.00 H new ATOM 74 N GLU A 6 -20.907 -7.310 5.529 1.00 0.00 N ATOM 75 CA GLU A 6 -19.623 -6.628 5.611 1.00 0.00 C ATOM 76 C GLU A 6 -18.529 -7.616 5.993 1.00 0.00 C ATOM 77 O GLU A 6 -17.818 -7.416 6.974 1.00 0.00 O ATOM 78 CB GLU A 6 -19.686 -5.492 6.644 1.00 0.00 C ATOM 79 CG GLU A 6 -18.616 -4.454 6.324 1.00 0.00 C ATOM 80 CD GLU A 6 -18.647 -3.341 7.361 1.00 0.00 C ATOM 81 OE1 GLU A 6 -19.620 -3.265 8.092 1.00 0.00 O ATOM 82 OE2 GLU A 6 -17.693 -2.585 7.413 1.00 0.00 O ATOM 0 H GLU A 6 -21.198 -7.539 4.578 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.393 -6.202 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -20.673 -5.029 6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.534 -5.890 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.633 -4.924 6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.784 -4.041 5.329 1.00 0.00 H new ATOM 89 N GLU A 7 -18.402 -8.691 5.216 1.00 0.00 N ATOM 90 CA GLU A 7 -17.386 -9.709 5.492 1.00 0.00 C ATOM 91 C GLU A 7 -16.121 -9.465 4.666 1.00 0.00 C ATOM 92 O GLU A 7 -15.010 -9.448 5.205 1.00 0.00 O ATOM 93 CB GLU A 7 -17.947 -11.097 5.188 1.00 0.00 C ATOM 94 CG GLU A 7 -16.930 -12.158 5.612 1.00 0.00 C ATOM 95 CD GLU A 7 -17.501 -13.551 5.373 1.00 0.00 C ATOM 96 OE1 GLU A 7 -18.004 -13.786 4.288 1.00 0.00 O ATOM 97 OE2 GLU A 7 -17.427 -14.363 6.281 1.00 0.00 O ATOM 0 H GLU A 7 -18.982 -8.880 4.399 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.119 -9.648 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.887 -11.246 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.163 -11.189 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.005 -12.033 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.680 -12.034 6.666 1.00 0.00 H new ATOM 104 N GLN A 8 -16.292 -9.284 3.360 1.00 0.00 N ATOM 105 CA GLN A 8 -15.153 -9.054 2.478 1.00 0.00 C ATOM 106 C GLN A 8 -14.444 -7.755 2.839 1.00 0.00 C ATOM 107 O GLN A 8 -13.214 -7.693 2.850 1.00 0.00 O ATOM 108 CB GLN A 8 -15.619 -9.006 1.022 1.00 0.00 C ATOM 109 CG GLN A 8 -16.492 -7.772 0.800 1.00 0.00 C ATOM 110 CD GLN A 8 -17.166 -7.846 -0.565 1.00 0.00 C ATOM 111 OE1 GLN A 8 -16.558 -7.505 -1.579 1.00 0.00 O ATOM 112 NE2 GLN A 8 -18.396 -8.277 -0.651 1.00 0.00 N ATOM 0 H GLN A 8 -17.199 -9.292 2.893 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.450 -9.878 2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.757 -8.978 0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.180 -9.909 0.780 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -17.247 -7.705 1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.884 -6.870 0.865 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.898 -8.559 0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.855 -8.332 -1.560 1.00 0.00 H new ATOM 121 N ILE A 9 -15.220 -6.721 3.143 1.00 0.00 N ATOM 122 CA ILE A 9 -14.642 -5.438 3.514 1.00 0.00 C ATOM 123 C ILE A 9 -13.841 -5.573 4.805 1.00 0.00 C ATOM 124 O ILE A 9 -12.749 -5.021 4.922 1.00 0.00 O ATOM 125 CB ILE A 9 -15.733 -4.370 3.675 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.329 -4.051 2.298 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.126 -3.098 4.292 1.00 0.00 C ATOM 128 CD1 ILE A 9 -17.489 -3.067 2.447 1.00 0.00 C ATOM 0 H ILE A 9 -16.240 -6.746 3.140 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.972 -5.123 2.714 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.518 -4.741 4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.562 -3.627 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.677 -4.968 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.903 -2.342 4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.704 -3.333 5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.340 -2.716 3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.907 -2.846 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.261 -3.507 3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.128 -2.146 2.904 1.00 0.00 H new ATOM 140 N VAL A 10 -14.383 -6.301 5.774 1.00 0.00 N ATOM 141 CA VAL A 10 -13.689 -6.470 7.042 1.00 0.00 C ATOM 142 C VAL A 10 -12.313 -7.084 6.804 1.00 0.00 C ATOM 143 O VAL A 10 -11.315 -6.598 7.331 1.00 0.00 O ATOM 144 CB VAL A 10 -14.515 -7.367 7.981 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.651 -7.839 9.159 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.710 -6.574 8.524 1.00 0.00 C ATOM 0 H VAL A 10 -15.284 -6.775 5.708 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.564 -5.494 7.510 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.865 -8.234 7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.247 -8.473 9.816 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.800 -8.406 8.782 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.292 -6.974 9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.296 -7.208 9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.350 -5.705 9.075 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.335 -6.244 7.694 1.00 0.00 H new ATOM 156 N ASP A 11 -12.258 -8.135 5.998 1.00 0.00 N ATOM 157 CA ASP A 11 -10.979 -8.765 5.708 1.00 0.00 C ATOM 158 C ASP A 11 -10.085 -7.800 4.934 1.00 0.00 C ATOM 159 O ASP A 11 -8.916 -7.610 5.272 1.00 0.00 O ATOM 160 CB ASP A 11 -11.189 -10.048 4.901 1.00 0.00 C ATOM 161 CG ASP A 11 -9.845 -10.704 4.600 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.829 -10.097 4.899 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.851 -11.805 4.074 1.00 0.00 O ATOM 0 H ASP A 11 -13.065 -8.561 5.542 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.493 -9.021 6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.822 -10.738 5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.708 -9.820 3.970 1.00 0.00 H new ATOM 168 N PHE A 12 -10.643 -7.198 3.886 1.00 0.00 N ATOM 169 CA PHE A 12 -9.883 -6.264 3.063 1.00 0.00 C ATOM 170 C PHE A 12 -9.424 -5.080 3.906 1.00 0.00 C ATOM 171 O PHE A 12 -8.252 -4.704 3.872 1.00 0.00 O ATOM 172 CB PHE A 12 -10.736 -5.770 1.881 1.00 0.00 C ATOM 173 CG PHE A 12 -10.678 -6.763 0.736 1.00 0.00 C ATOM 174 CD1 PHE A 12 -10.702 -8.141 0.988 1.00 0.00 C ATOM 175 CD2 PHE A 12 -10.584 -6.303 -0.584 1.00 0.00 C ATOM 176 CE1 PHE A 12 -10.633 -9.049 -0.071 1.00 0.00 C ATOM 177 CE2 PHE A 12 -10.521 -7.212 -1.642 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.543 -8.585 -1.386 1.00 0.00 C ATOM 0 H PHE A 12 -11.609 -7.339 3.590 1.00 0.00 H new ATOM 0 HA PHE A 12 -9.008 -6.781 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.769 -5.634 2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.376 -4.797 1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.774 -8.502 2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.560 -5.242 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.649 -10.111 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.455 -6.853 -2.659 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.490 -9.288 -2.204 1.00 0.00 H new ATOM 188 N LYS A 13 -10.348 -4.493 4.665 1.00 0.00 N ATOM 189 CA LYS A 13 -10.014 -3.361 5.506 1.00 0.00 C ATOM 190 C LYS A 13 -8.925 -3.743 6.500 1.00 0.00 C ATOM 191 O LYS A 13 -8.079 -2.918 6.844 1.00 0.00 O ATOM 192 CB LYS A 13 -11.265 -2.890 6.252 1.00 0.00 C ATOM 193 CG LYS A 13 -11.050 -1.478 6.793 1.00 0.00 C ATOM 194 CD LYS A 13 -12.368 -0.936 7.356 1.00 0.00 C ATOM 195 CE LYS A 13 -12.701 -1.612 8.695 1.00 0.00 C ATOM 196 NZ LYS A 13 -13.791 -0.859 9.377 1.00 0.00 N ATOM 0 H LYS A 13 -11.324 -4.785 4.710 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.642 -2.550 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.125 -2.905 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.488 -3.573 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.287 -1.488 7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.686 -0.825 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.294 0.143 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.174 -1.111 6.643 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.008 -2.644 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.815 -1.643 9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.015 -1.318 10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.481 0.119 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.638 -0.852 8.774 1.00 0.00 H new ATOM 210 N GLU A 14 -8.932 -4.995 6.950 1.00 0.00 N ATOM 211 CA GLU A 14 -7.916 -5.450 7.892 1.00 0.00 C ATOM 212 C GLU A 14 -6.553 -5.468 7.224 1.00 0.00 C ATOM 213 O GLU A 14 -5.542 -5.112 7.829 1.00 0.00 O ATOM 214 CB GLU A 14 -8.250 -6.847 8.386 1.00 0.00 C ATOM 215 CG GLU A 14 -7.421 -7.159 9.638 1.00 0.00 C ATOM 216 CD GLU A 14 -7.942 -6.353 10.825 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.966 -5.708 10.676 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.309 -6.397 11.868 1.00 0.00 O ATOM 0 H GLU A 14 -9.618 -5.701 6.683 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.895 -4.762 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.313 -6.919 8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.041 -7.580 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.472 -8.225 9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.373 -6.921 9.458 1.00 0.00 H new ATOM 225 N ALA A 15 -6.538 -5.872 5.964 1.00 0.00 N ATOM 226 CA ALA A 15 -5.286 -5.913 5.216 1.00 0.00 C ATOM 227 C ALA A 15 -4.722 -4.504 5.070 1.00 0.00 C ATOM 228 O ALA A 15 -3.532 -4.279 5.298 1.00 0.00 O ATOM 229 CB ALA A 15 -5.490 -6.533 3.830 1.00 0.00 C ATOM 0 H ALA A 15 -7.362 -6.172 5.442 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.581 -6.534 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.540 -6.550 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.864 -7.551 3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.211 -5.939 3.268 1.00 0.00 H new ATOM 235 N PHE A 16 -5.575 -3.549 4.695 1.00 0.00 N ATOM 236 CA PHE A 16 -5.136 -2.168 4.539 1.00 0.00 C ATOM 237 C PHE A 16 -4.700 -1.578 5.874 1.00 0.00 C ATOM 238 O PHE A 16 -3.636 -0.969 5.977 1.00 0.00 O ATOM 239 CB PHE A 16 -6.279 -1.328 3.968 1.00 0.00 C ATOM 240 CG PHE A 16 -5.840 0.111 3.860 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.155 0.552 2.721 1.00 0.00 C ATOM 242 CD2 PHE A 16 -6.124 1.006 4.898 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.756 1.889 2.624 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.722 2.341 4.800 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.041 2.782 3.661 1.00 0.00 C ATOM 0 H PHE A 16 -6.563 -3.707 4.496 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.285 -2.156 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.568 -1.706 2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.157 -1.404 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.935 -0.138 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.654 0.665 5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.227 2.232 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.937 3.031 5.603 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.735 3.815 3.582 1.00 0.00 H new ATOM 255 N GLY A 17 -5.535 -1.750 6.895 1.00 0.00 N ATOM 256 CA GLY A 17 -5.216 -1.211 8.210 1.00 0.00 C ATOM 257 C GLY A 17 -3.863 -1.718 8.672 1.00 0.00 C ATOM 258 O GLY A 17 -3.048 -0.955 9.190 1.00 0.00 O ATOM 0 H GLY A 17 -6.422 -2.250 6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.210 -0.122 8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.985 -1.501 8.926 1.00 0.00 H new ATOM 262 N LEU A 18 -3.618 -3.003 8.471 1.00 0.00 N ATOM 263 CA LEU A 18 -2.349 -3.592 8.862 1.00 0.00 C ATOM 264 C LEU A 18 -1.215 -2.969 8.055 1.00 0.00 C ATOM 265 O LEU A 18 -0.118 -2.753 8.570 1.00 0.00 O ATOM 266 CB LEU A 18 -2.397 -5.106 8.619 1.00 0.00 C ATOM 267 CG LEU A 18 -1.340 -5.834 9.484 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.889 -6.088 10.898 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.986 -7.187 8.845 1.00 0.00 C ATOM 0 H LEU A 18 -4.276 -3.654 8.042 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.171 -3.401 9.920 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.391 -5.486 8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.218 -5.316 7.564 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.453 -5.204 9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.134 -6.601 11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.138 -5.137 11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.784 -6.707 10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.242 -7.695 9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.883 -7.803 8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.583 -7.023 7.846 1.00 0.00 H new ATOM 281 N PHE A 19 -1.485 -2.703 6.779 1.00 0.00 N ATOM 282 CA PHE A 19 -0.477 -2.127 5.897 1.00 0.00 C ATOM 283 C PHE A 19 -0.132 -0.726 6.349 1.00 0.00 C ATOM 284 O PHE A 19 1.030 -0.325 6.360 1.00 0.00 O ATOM 285 CB PHE A 19 -0.985 -2.108 4.449 1.00 0.00 C ATOM 286 CG PHE A 19 -0.970 -3.509 3.854 1.00 0.00 C ATOM 287 CD1 PHE A 19 -1.008 -4.663 4.674 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.909 -3.661 2.461 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.978 -5.929 4.111 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.882 -4.954 1.898 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.915 -6.083 2.731 1.00 0.00 C ATOM 0 H PHE A 19 -2.388 -2.876 6.336 1.00 0.00 H new ATOM 0 HA PHE A 19 0.422 -2.742 5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.998 -1.706 4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.361 -1.446 3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.061 -4.556 5.747 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.883 -2.791 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.004 -6.801 4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.836 -5.075 0.826 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.891 -7.073 2.299 1.00 0.00 H new ATOM 301 N ASP A 20 -1.157 0.013 6.727 1.00 0.00 N ATOM 302 CA ASP A 20 -0.974 1.374 7.190 1.00 0.00 C ATOM 303 C ASP A 20 -0.608 1.383 8.675 1.00 0.00 C ATOM 304 O ASP A 20 -1.301 1.980 9.495 1.00 0.00 O ATOM 305 CB ASP A 20 -2.267 2.147 6.945 1.00 0.00 C ATOM 306 CG ASP A 20 -2.205 3.517 7.611 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.122 3.910 8.012 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.241 4.153 7.712 1.00 0.00 O ATOM 0 H ASP A 20 -2.126 -0.307 6.722 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.158 1.848 6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.430 2.264 5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.114 1.584 7.337 1.00 0.00 H new ATOM 313 N LYS A 21 0.470 0.673 9.009 1.00 0.00 N ATOM 314 CA LYS A 21 0.928 0.565 10.396 1.00 0.00 C ATOM 315 C LYS A 21 0.768 1.887 11.149 1.00 0.00 C ATOM 316 O LYS A 21 0.773 1.906 12.378 1.00 0.00 O ATOM 317 CB LYS A 21 2.397 0.140 10.429 1.00 0.00 C ATOM 318 CG LYS A 21 2.814 -0.129 11.880 1.00 0.00 C ATOM 319 CD LYS A 21 4.159 -0.855 11.901 1.00 0.00 C ATOM 320 CE LYS A 21 5.273 0.075 11.400 1.00 0.00 C ATOM 321 NZ LYS A 21 6.604 -0.502 11.746 1.00 0.00 N ATOM 0 H LYS A 21 1.044 0.163 8.337 1.00 0.00 H new ATOM 0 HA LYS A 21 0.310 -0.186 10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.542 -0.756 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.023 0.921 9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.888 0.810 12.428 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.056 -0.731 12.381 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.383 -1.190 12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.109 -1.745 11.274 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.192 0.206 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.166 1.062 11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.356 0.131 11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.680 -0.605 12.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.706 -1.434 11.296 1.00 0.00 H new ATOM 335 N ASP A 22 0.636 2.995 10.417 1.00 0.00 N ATOM 336 CA ASP A 22 0.490 4.305 11.053 1.00 0.00 C ATOM 337 C ASP A 22 -0.981 4.625 11.342 1.00 0.00 C ATOM 338 O ASP A 22 -1.286 5.381 12.264 1.00 0.00 O ATOM 339 CB ASP A 22 1.057 5.380 10.129 1.00 0.00 C ATOM 340 CG ASP A 22 2.375 4.904 9.533 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.330 4.769 10.282 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.406 4.675 8.334 1.00 0.00 O ATOM 0 H ASP A 22 0.627 3.012 9.397 1.00 0.00 H new ATOM 0 HA ASP A 22 1.032 4.285 11.998 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.346 5.601 9.333 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.211 6.305 10.684 1.00 0.00 H new ATOM 347 N GLY A 23 -1.887 4.048 10.555 1.00 0.00 N ATOM 348 CA GLY A 23 -3.317 4.283 10.750 1.00 0.00 C ATOM 349 C GLY A 23 -3.736 5.666 10.253 1.00 0.00 C ATOM 350 O GLY A 23 -4.842 6.124 10.542 1.00 0.00 O ATOM 0 H GLY A 23 -1.660 3.420 9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.887 3.519 10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.560 4.188 11.808 1.00 0.00 H new ATOM 354 N ASP A 24 -2.848 6.339 9.526 1.00 0.00 N ATOM 355 CA ASP A 24 -3.154 7.675 9.031 1.00 0.00 C ATOM 356 C ASP A 24 -4.299 7.629 8.029 1.00 0.00 C ATOM 357 O ASP A 24 -4.917 8.654 7.734 1.00 0.00 O ATOM 358 CB ASP A 24 -1.923 8.299 8.370 1.00 0.00 C ATOM 359 CG ASP A 24 -1.607 7.577 7.066 1.00 0.00 C ATOM 360 OD1 ASP A 24 -2.028 6.441 6.925 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.940 8.167 6.230 1.00 0.00 O ATOM 0 H ASP A 24 -1.925 5.987 9.270 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.452 8.287 9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.102 9.356 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.069 8.239 9.044 1.00 0.00 H new ATOM 366 N GLY A 25 -4.584 6.438 7.505 1.00 0.00 N ATOM 367 CA GLY A 25 -5.663 6.271 6.532 1.00 0.00 C ATOM 368 C GLY A 25 -5.106 6.144 5.121 1.00 0.00 C ATOM 369 O GLY A 25 -5.827 5.775 4.195 1.00 0.00 O ATOM 0 H GLY A 25 -4.086 5.578 7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.246 5.384 6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.341 7.123 6.585 1.00 0.00 H new ATOM 373 N CYS A 26 -3.820 6.468 4.957 1.00 0.00 N ATOM 374 CA CYS A 26 -3.178 6.395 3.636 1.00 0.00 C ATOM 375 C CYS A 26 -1.818 5.708 3.723 1.00 0.00 C ATOM 376 O CYS A 26 -1.028 5.985 4.632 1.00 0.00 O ATOM 377 CB CYS A 26 -2.995 7.807 3.075 1.00 0.00 C ATOM 378 SG CYS A 26 -4.535 8.739 3.265 1.00 0.00 S ATOM 0 H CYS A 26 -3.207 6.780 5.710 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.820 5.811 2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.184 8.315 3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.715 7.758 2.023 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.378 9.939 2.790 1.00 0.00 H new ATOM 384 N ILE A 27 -1.539 4.819 2.766 1.00 0.00 N ATOM 385 CA ILE A 27 -0.255 4.113 2.741 1.00 0.00 C ATOM 386 C ILE A 27 0.689 4.820 1.771 1.00 0.00 C ATOM 387 O ILE A 27 0.447 4.826 0.565 1.00 0.00 O ATOM 388 CB ILE A 27 -0.440 2.669 2.258 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.452 1.935 3.141 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.904 1.933 2.337 1.00 0.00 C ATOM 391 CD1 ILE A 27 -1.869 0.638 2.444 1.00 0.00 C ATOM 0 H ILE A 27 -2.175 4.573 2.008 1.00 0.00 H new ATOM 0 HA ILE A 27 0.155 4.109 3.751 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.805 2.688 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.014 1.716 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.324 2.565 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.777 0.906 1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.634 2.439 1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.257 1.931 3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.590 0.107 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.322 0.872 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.992 0.010 2.289 1.00 0.00 H new ATOM 403 N THR A 28 1.766 5.405 2.286 1.00 0.00 N ATOM 404 CA THR A 28 2.724 6.092 1.422 1.00 0.00 C ATOM 405 C THR A 28 3.619 5.068 0.737 1.00 0.00 C ATOM 406 O THR A 28 3.656 3.906 1.137 1.00 0.00 O ATOM 407 CB THR A 28 3.578 7.071 2.233 1.00 0.00 C ATOM 408 OG1 THR A 28 2.733 8.026 2.862 1.00 0.00 O ATOM 409 CG2 THR A 28 4.563 7.791 1.305 1.00 0.00 C ATOM 0 H THR A 28 1.996 5.419 3.280 1.00 0.00 H new ATOM 0 HA THR A 28 2.174 6.657 0.669 1.00 0.00 H new ATOM 0 HB THR A 28 4.136 6.521 2.991 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.278 8.652 3.383 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.168 8.486 1.886 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.212 7.059 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.010 8.340 0.543 1.00 0.00 H new ATOM 417 N VAL A 29 4.331 5.487 -0.305 1.00 0.00 N ATOM 418 CA VAL A 29 5.196 4.556 -1.024 1.00 0.00 C ATOM 419 C VAL A 29 6.192 3.906 -0.064 1.00 0.00 C ATOM 420 O VAL A 29 6.376 2.689 -0.084 1.00 0.00 O ATOM 421 CB VAL A 29 5.963 5.291 -2.128 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.603 4.265 -3.069 1.00 0.00 C ATOM 423 CG2 VAL A 29 5.007 6.200 -2.915 1.00 0.00 C ATOM 0 H VAL A 29 4.328 6.442 -0.664 1.00 0.00 H new ATOM 0 HA VAL A 29 4.571 3.783 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 29 6.742 5.907 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.150 4.784 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.290 3.634 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.825 3.646 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.560 6.719 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.220 5.596 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.562 6.931 -2.240 1.00 0.00 H new ATOM 433 N GLU A 30 6.823 4.714 0.781 1.00 0.00 N ATOM 434 CA GLU A 30 7.781 4.188 1.738 1.00 0.00 C ATOM 435 C GLU A 30 7.105 3.147 2.627 1.00 0.00 C ATOM 436 O GLU A 30 7.676 2.093 2.914 1.00 0.00 O ATOM 437 CB GLU A 30 8.337 5.326 2.596 1.00 0.00 C ATOM 438 CG GLU A 30 9.551 4.827 3.366 1.00 0.00 C ATOM 439 CD GLU A 30 10.214 5.983 4.109 1.00 0.00 C ATOM 440 OE1 GLU A 30 10.504 6.981 3.471 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.425 5.853 5.304 1.00 0.00 O ATOM 0 H GLU A 30 6.689 5.724 0.821 1.00 0.00 H new ATOM 0 HA GLU A 30 8.603 3.716 1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.614 6.171 1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.574 5.682 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.250 4.055 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.264 4.370 2.680 1.00 0.00 H new ATOM 448 N GLU A 31 5.878 3.439 3.044 1.00 0.00 N ATOM 449 CA GLU A 31 5.124 2.516 3.880 1.00 0.00 C ATOM 450 C GLU A 31 4.772 1.260 3.096 1.00 0.00 C ATOM 451 O GLU A 31 4.871 0.147 3.611 1.00 0.00 O ATOM 452 CB GLU A 31 3.847 3.192 4.358 1.00 0.00 C ATOM 453 CG GLU A 31 4.191 4.291 5.366 1.00 0.00 C ATOM 454 CD GLU A 31 2.969 5.165 5.595 1.00 0.00 C ATOM 455 OE1 GLU A 31 2.012 5.001 4.864 1.00 0.00 O ATOM 456 OE2 GLU A 31 3.012 6.001 6.484 1.00 0.00 O ATOM 0 H GLU A 31 5.387 4.304 2.817 1.00 0.00 H new ATOM 0 HA GLU A 31 5.735 2.236 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.310 3.618 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.186 2.458 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.517 3.848 6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.019 4.894 4.995 1.00 0.00 H new ATOM 463 N LEU A 32 4.378 1.442 1.841 1.00 0.00 N ATOM 464 CA LEU A 32 4.041 0.296 1.013 1.00 0.00 C ATOM 465 C LEU A 32 5.296 -0.559 0.856 1.00 0.00 C ATOM 466 O LEU A 32 5.252 -1.781 0.981 1.00 0.00 O ATOM 467 CB LEU A 32 3.520 0.763 -0.365 1.00 0.00 C ATOM 468 CG LEU A 32 2.602 -0.303 -1.008 1.00 0.00 C ATOM 469 CD1 LEU A 32 3.258 -1.682 -0.956 1.00 0.00 C ATOM 470 CD2 LEU A 32 1.247 -0.357 -0.288 1.00 0.00 C ATOM 0 H LEU A 32 4.286 2.350 1.385 1.00 0.00 H new ATOM 0 HA LEU A 32 3.250 -0.289 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.971 1.698 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.363 0.966 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 32 2.443 -0.021 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.596 -2.417 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.202 -1.656 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.444 -1.957 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.616 -1.113 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.402 -0.612 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.759 0.615 -0.357 1.00 0.00 H new ATOM 482 N ALA A 33 6.419 0.098 0.595 1.00 0.00 N ATOM 483 CA ALA A 33 7.675 -0.619 0.433 1.00 0.00 C ATOM 484 C ALA A 33 7.939 -1.484 1.659 1.00 0.00 C ATOM 485 O ALA A 33 8.367 -2.632 1.538 1.00 0.00 O ATOM 486 CB ALA A 33 8.825 0.366 0.234 1.00 0.00 C ATOM 0 H ALA A 33 6.486 1.111 0.492 1.00 0.00 H new ATOM 0 HA ALA A 33 7.604 -1.258 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.758 -0.184 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.640 0.966 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.898 1.020 1.103 1.00 0.00 H new ATOM 492 N THR A 34 7.662 -0.937 2.840 1.00 0.00 N ATOM 493 CA THR A 34 7.859 -1.693 4.070 1.00 0.00 C ATOM 494 C THR A 34 6.965 -2.937 4.063 1.00 0.00 C ATOM 495 O THR A 34 7.418 -4.032 4.400 1.00 0.00 O ATOM 496 CB THR A 34 7.567 -0.801 5.291 1.00 0.00 C ATOM 497 OG1 THR A 34 8.661 0.088 5.486 1.00 0.00 O ATOM 498 CG2 THR A 34 7.376 -1.655 6.552 1.00 0.00 C ATOM 0 H THR A 34 7.307 0.010 2.969 1.00 0.00 H new ATOM 0 HA THR A 34 8.897 -2.020 4.134 1.00 0.00 H new ATOM 0 HB THR A 34 6.651 -0.240 5.109 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.483 0.661 6.261 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.171 -1.006 7.403 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.539 -2.338 6.406 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.283 -2.229 6.744 1.00 0.00 H new ATOM 506 N VAL A 35 5.703 -2.778 3.662 1.00 0.00 N ATOM 507 CA VAL A 35 4.801 -3.926 3.613 1.00 0.00 C ATOM 508 C VAL A 35 5.285 -4.930 2.565 1.00 0.00 C ATOM 509 O VAL A 35 5.382 -6.129 2.836 1.00 0.00 O ATOM 510 CB VAL A 35 3.360 -3.477 3.300 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.496 -4.713 3.012 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.792 -2.740 4.516 1.00 0.00 C ATOM 0 H VAL A 35 5.292 -1.890 3.374 1.00 0.00 H new ATOM 0 HA VAL A 35 4.802 -4.408 4.591 1.00 0.00 H new ATOM 0 HB VAL A 35 3.359 -2.818 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.476 -4.400 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.905 -5.251 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.493 -5.366 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.772 -2.419 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.790 -3.408 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.409 -1.868 4.734 1.00 0.00 H new ATOM 522 N ILE A 36 5.602 -4.438 1.375 1.00 0.00 N ATOM 523 CA ILE A 36 6.077 -5.315 0.317 1.00 0.00 C ATOM 524 C ILE A 36 7.373 -5.980 0.752 1.00 0.00 C ATOM 525 O ILE A 36 7.601 -7.157 0.476 1.00 0.00 O ATOM 526 CB ILE A 36 6.267 -4.533 -1.003 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.898 -4.330 -1.695 1.00 0.00 C ATOM 528 CG2 ILE A 36 7.218 -5.289 -1.951 1.00 0.00 C ATOM 529 CD1 ILE A 36 4.503 -5.577 -2.510 1.00 0.00 C ATOM 0 H ILE A 36 5.540 -3.452 1.121 1.00 0.00 H new ATOM 0 HA ILE A 36 5.331 -6.088 0.133 1.00 0.00 H new ATOM 0 HB ILE A 36 6.705 -3.563 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.134 -4.124 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.943 -3.461 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.338 -4.722 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.189 -5.411 -1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.800 -6.270 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.537 -5.409 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.257 -5.766 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.435 -6.439 -1.846 1.00 0.00 H new ATOM 541 N ARG A 37 8.216 -5.223 1.437 1.00 0.00 N ATOM 542 CA ARG A 37 9.481 -5.751 1.908 1.00 0.00 C ATOM 543 C ARG A 37 9.249 -6.974 2.786 1.00 0.00 C ATOM 544 O ARG A 37 9.966 -7.971 2.685 1.00 0.00 O ATOM 545 CB ARG A 37 10.223 -4.675 2.700 1.00 0.00 C ATOM 546 CG ARG A 37 11.556 -5.235 3.183 1.00 0.00 C ATOM 547 CD ARG A 37 12.390 -4.113 3.798 1.00 0.00 C ATOM 548 NE ARG A 37 13.724 -4.599 4.130 1.00 0.00 N ATOM 549 CZ ARG A 37 14.618 -3.800 4.700 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.306 -2.562 4.967 1.00 0.00 N ATOM 551 NH2 ARG A 37 15.806 -4.253 4.992 1.00 0.00 N ATOM 0 H ARG A 37 8.046 -4.246 1.677 1.00 0.00 H new ATOM 0 HA ARG A 37 10.083 -6.047 1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.389 -3.797 2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.621 -4.353 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.387 -6.021 3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.095 -5.688 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.462 -3.279 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.899 -3.735 4.695 1.00 0.00 H new ATOM 0 HE ARG A 37 13.974 -5.566 3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.377 -2.209 4.738 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.991 -1.946 5.405 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.048 -5.221 4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.493 -3.639 5.430 1.00 0.00 H new ATOM 565 N SER A 38 8.234 -6.895 3.634 1.00 0.00 N ATOM 566 CA SER A 38 7.897 -8.005 4.516 1.00 0.00 C ATOM 567 C SER A 38 7.440 -9.216 3.708 1.00 0.00 C ATOM 568 O SER A 38 7.696 -10.358 4.089 1.00 0.00 O ATOM 569 CB SER A 38 6.789 -7.593 5.487 1.00 0.00 C ATOM 570 OG SER A 38 7.322 -6.696 6.450 1.00 0.00 O ATOM 0 H SER A 38 7.631 -6.078 3.731 1.00 0.00 H new ATOM 0 HA SER A 38 8.791 -8.273 5.080 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.971 -7.119 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.376 -8.473 5.981 1.00 0.00 H new ATOM 0 HG SER A 38 6.615 -6.428 7.074 1.00 0.00 H new ATOM 576 N LEU A 39 6.735 -8.963 2.606 1.00 0.00 N ATOM 577 CA LEU A 39 6.222 -10.049 1.774 1.00 0.00 C ATOM 578 C LEU A 39 7.338 -10.806 1.050 1.00 0.00 C ATOM 579 O LEU A 39 7.088 -11.454 0.035 1.00 0.00 O ATOM 580 CB LEU A 39 5.237 -9.494 0.748 1.00 0.00 C ATOM 581 CG LEU A 39 4.031 -8.856 1.454 1.00 0.00 C ATOM 582 CD1 LEU A 39 3.113 -8.201 0.407 1.00 0.00 C ATOM 583 CD2 LEU A 39 3.237 -9.923 2.240 1.00 0.00 C ATOM 0 H LEU A 39 6.508 -8.026 2.272 1.00 0.00 H new ATOM 0 HA LEU A 39 5.721 -10.754 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.734 -8.753 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.899 -10.294 0.089 1.00 0.00 H new ATOM 0 HG LEU A 39 4.392 -8.102 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.257 -7.748 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.667 -7.433 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.764 -8.958 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.386 -9.453 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.880 -10.690 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.884 -10.380 2.989 1.00 0.00 H new ATOM 595 N ASP A 40 8.558 -10.716 1.573 1.00 0.00 N ATOM 596 CA ASP A 40 9.716 -11.404 0.979 1.00 0.00 C ATOM 597 C ASP A 40 10.028 -10.897 -0.428 1.00 0.00 C ATOM 598 O ASP A 40 10.722 -11.571 -1.189 1.00 0.00 O ATOM 599 CB ASP A 40 9.479 -12.924 0.905 1.00 0.00 C ATOM 600 CG ASP A 40 9.520 -13.549 2.294 1.00 0.00 C ATOM 601 OD1 ASP A 40 9.963 -12.882 3.212 1.00 0.00 O ATOM 602 OD2 ASP A 40 9.117 -14.695 2.415 1.00 0.00 O ATOM 0 H ASP A 40 8.777 -10.174 2.409 1.00 0.00 H new ATOM 0 HA ASP A 40 10.563 -11.188 1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.513 -13.123 0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.238 -13.384 0.272 1.00 0.00 H new ATOM 607 N GLN A 41 9.521 -9.719 -0.778 1.00 0.00 N ATOM 608 CA GLN A 41 9.766 -9.147 -2.106 1.00 0.00 C ATOM 609 C GLN A 41 10.151 -7.681 -1.978 1.00 0.00 C ATOM 610 O GLN A 41 9.583 -6.952 -1.165 1.00 0.00 O ATOM 611 CB GLN A 41 8.507 -9.275 -2.969 1.00 0.00 C ATOM 612 CG GLN A 41 8.863 -9.072 -4.446 1.00 0.00 C ATOM 613 CD GLN A 41 9.550 -10.320 -4.994 1.00 0.00 C ATOM 614 OE1 GLN A 41 10.689 -10.250 -5.457 1.00 0.00 O ATOM 615 NE2 GLN A 41 8.920 -11.464 -4.970 1.00 0.00 N ATOM 0 H GLN A 41 8.941 -9.142 -0.168 1.00 0.00 H new ATOM 0 HA GLN A 41 10.583 -9.691 -2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.056 -10.257 -2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.767 -8.537 -2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.961 -8.862 -5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.519 -8.208 -4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.977 -11.519 -4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.371 -12.303 -5.335 1.00 0.00 H new ATOM 624 N ASN A 42 11.126 -7.250 -2.776 1.00 0.00 N ATOM 625 CA ASN A 42 11.584 -5.859 -2.732 1.00 0.00 C ATOM 626 C ASN A 42 11.824 -5.313 -4.137 1.00 0.00 C ATOM 627 O ASN A 42 12.967 -5.178 -4.573 1.00 0.00 O ATOM 628 CB ASN A 42 12.880 -5.766 -1.923 1.00 0.00 C ATOM 629 CG ASN A 42 13.890 -6.794 -2.423 1.00 0.00 C ATOM 630 OD1 ASN A 42 14.656 -6.516 -3.345 1.00 0.00 O ATOM 631 ND2 ASN A 42 13.937 -7.973 -1.865 1.00 0.00 N ATOM 0 H ASN A 42 11.611 -7.836 -3.455 1.00 0.00 H new ATOM 0 HA ASN A 42 10.806 -5.261 -2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.299 -4.763 -2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.671 -5.935 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.610 -8.666 -2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.301 -8.201 -1.101 1.00 0.00 H new ATOM 638 N PRO A 43 10.773 -4.978 -4.839 1.00 0.00 N ATOM 639 CA PRO A 43 10.863 -4.408 -6.216 1.00 0.00 C ATOM 640 C PRO A 43 11.525 -3.032 -6.199 1.00 0.00 C ATOM 641 O PRO A 43 11.713 -2.445 -5.133 1.00 0.00 O ATOM 642 CB PRO A 43 9.395 -4.311 -6.682 1.00 0.00 C ATOM 643 CG PRO A 43 8.619 -5.170 -5.732 1.00 0.00 C ATOM 644 CD PRO A 43 9.376 -5.106 -4.408 1.00 0.00 C ATOM 0 HA PRO A 43 11.472 -5.021 -6.881 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.042 -3.280 -6.657 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.285 -4.661 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.598 -4.805 -5.618 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.552 -6.195 -6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.060 -4.257 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.218 -6.002 -3.808 1.00 0.00 H new ATOM 652 N THR A 44 11.863 -2.510 -7.377 1.00 0.00 N ATOM 653 CA THR A 44 12.485 -1.196 -7.460 1.00 0.00 C ATOM 654 C THR A 44 11.406 -0.122 -7.510 1.00 0.00 C ATOM 655 O THR A 44 10.309 -0.365 -8.017 1.00 0.00 O ATOM 656 CB THR A 44 13.348 -1.115 -8.726 1.00 0.00 C ATOM 657 OG1 THR A 44 12.642 -1.705 -9.806 1.00 0.00 O ATOM 658 CG2 THR A 44 14.665 -1.865 -8.506 1.00 0.00 C ATOM 0 H THR A 44 11.718 -2.972 -8.275 1.00 0.00 H new ATOM 0 HA THR A 44 13.113 -1.038 -6.583 1.00 0.00 H new ATOM 0 HB THR A 44 13.566 -0.071 -8.952 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.187 -1.655 -10.619 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.274 -1.804 -9.408 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.205 -1.415 -7.673 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.455 -2.910 -8.280 1.00 0.00 H new ATOM 666 N GLU A 45 11.721 1.059 -6.979 1.00 0.00 N ATOM 667 CA GLU A 45 10.760 2.164 -6.973 1.00 0.00 C ATOM 668 C GLU A 45 10.000 2.188 -8.294 1.00 0.00 C ATOM 669 O GLU A 45 8.784 2.371 -8.316 1.00 0.00 O ATOM 670 CB GLU A 45 11.479 3.499 -6.765 1.00 0.00 C ATOM 671 CG GLU A 45 12.105 3.544 -5.362 1.00 0.00 C ATOM 672 CD GLU A 45 13.437 2.800 -5.353 1.00 0.00 C ATOM 673 OE1 GLU A 45 13.772 2.213 -6.370 1.00 0.00 O ATOM 674 OE2 GLU A 45 14.106 2.833 -4.334 1.00 0.00 O ATOM 0 H GLU A 45 12.622 1.275 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 45 10.059 2.015 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.253 3.627 -7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.776 4.323 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.257 4.579 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.425 3.095 -4.638 1.00 0.00 H new ATOM 681 N GLU A 46 10.720 1.991 -9.394 1.00 0.00 N ATOM 682 CA GLU A 46 10.092 1.980 -10.701 1.00 0.00 C ATOM 683 C GLU A 46 8.857 1.077 -10.686 1.00 0.00 C ATOM 684 O GLU A 46 7.792 1.468 -11.165 1.00 0.00 O ATOM 685 CB GLU A 46 11.121 1.491 -11.760 1.00 0.00 C ATOM 686 CG GLU A 46 10.494 0.464 -12.732 1.00 0.00 C ATOM 687 CD GLU A 46 11.421 0.185 -13.905 1.00 0.00 C ATOM 688 OE1 GLU A 46 12.365 0.935 -14.084 1.00 0.00 O ATOM 689 OE2 GLU A 46 11.161 -0.769 -14.617 1.00 0.00 O ATOM 0 H GLU A 46 11.729 1.839 -9.403 1.00 0.00 H new ATOM 0 HA GLU A 46 9.769 2.988 -10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.497 2.345 -12.324 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.976 1.041 -11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.285 -0.464 -12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.540 0.842 -13.100 1.00 0.00 H new ATOM 696 N GLU A 47 9.009 -0.139 -10.168 1.00 0.00 N ATOM 697 CA GLU A 47 7.899 -1.072 -10.145 1.00 0.00 C ATOM 698 C GLU A 47 6.808 -0.567 -9.216 1.00 0.00 C ATOM 699 O GLU A 47 5.620 -0.637 -9.540 1.00 0.00 O ATOM 700 CB GLU A 47 8.389 -2.449 -9.704 1.00 0.00 C ATOM 701 CG GLU A 47 7.271 -3.481 -9.875 1.00 0.00 C ATOM 702 CD GLU A 47 7.026 -3.739 -11.360 1.00 0.00 C ATOM 703 OE1 GLU A 47 7.801 -3.248 -12.163 1.00 0.00 O ATOM 704 OE2 GLU A 47 6.065 -4.423 -11.671 1.00 0.00 O ATOM 0 H GLU A 47 9.877 -0.492 -9.766 1.00 0.00 H new ATOM 0 HA GLU A 47 7.481 -1.156 -11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.258 -2.741 -10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.707 -2.415 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.543 -4.411 -9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.356 -3.121 -9.404 1.00 0.00 H new ATOM 711 N LEU A 48 7.214 -0.042 -8.066 1.00 0.00 N ATOM 712 CA LEU A 48 6.252 0.490 -7.111 1.00 0.00 C ATOM 713 C LEU A 48 5.496 1.664 -7.726 1.00 0.00 C ATOM 714 O LEU A 48 4.280 1.770 -7.585 1.00 0.00 O ATOM 715 CB LEU A 48 6.988 0.934 -5.830 1.00 0.00 C ATOM 716 CG LEU A 48 7.053 -0.216 -4.823 1.00 0.00 C ATOM 717 CD1 LEU A 48 7.833 -1.378 -5.426 1.00 0.00 C ATOM 718 CD2 LEU A 48 7.751 0.262 -3.549 1.00 0.00 C ATOM 0 H LEU A 48 8.189 0.026 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 48 5.531 -0.286 -6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.996 1.264 -6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.474 1.786 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 48 6.042 -0.545 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.879 -2.197 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.335 -1.719 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.844 -1.051 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.798 -0.557 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.762 0.592 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.192 1.092 -3.117 1.00 0.00 H new ATOM 730 N GLN A 49 6.216 2.537 -8.416 1.00 0.00 N ATOM 731 CA GLN A 49 5.580 3.685 -9.046 1.00 0.00 C ATOM 732 C GLN A 49 4.586 3.223 -10.107 1.00 0.00 C ATOM 733 O GLN A 49 3.429 3.646 -10.108 1.00 0.00 O ATOM 734 CB GLN A 49 6.643 4.590 -9.673 1.00 0.00 C ATOM 735 CG GLN A 49 7.447 5.269 -8.562 1.00 0.00 C ATOM 736 CD GLN A 49 8.557 6.121 -9.168 1.00 0.00 C ATOM 737 OE1 GLN A 49 8.668 6.222 -10.389 1.00 0.00 O ATOM 738 NE2 GLN A 49 9.392 6.747 -8.381 1.00 0.00 N ATOM 0 H GLN A 49 7.225 2.475 -8.553 1.00 0.00 H new ATOM 0 HA GLN A 49 5.038 4.249 -8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.305 4.005 -10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.171 5.341 -10.307 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.790 5.891 -7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.875 4.517 -7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.299 6.663 -7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.136 7.320 -8.779 1.00 0.00 H new ATOM 747 N ASP A 50 5.035 2.355 -11.008 1.00 0.00 N ATOM 748 CA ASP A 50 4.165 1.851 -12.065 1.00 0.00 C ATOM 749 C ASP A 50 2.961 1.126 -11.466 1.00 0.00 C ATOM 750 O ASP A 50 1.864 1.181 -12.018 1.00 0.00 O ATOM 751 CB ASP A 50 4.941 0.898 -12.978 1.00 0.00 C ATOM 752 CG ASP A 50 4.013 0.330 -14.047 1.00 0.00 C ATOM 753 OD1 ASP A 50 3.514 1.106 -14.846 1.00 0.00 O ATOM 754 OD2 ASP A 50 3.814 -0.874 -14.053 1.00 0.00 O ATOM 0 H ASP A 50 5.987 1.989 -11.028 1.00 0.00 H new ATOM 0 HA ASP A 50 3.810 2.698 -12.652 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.771 1.426 -13.448 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.371 0.087 -12.390 1.00 0.00 H new ATOM 759 N MET A 51 3.164 0.473 -10.321 1.00 0.00 N ATOM 760 CA MET A 51 2.069 -0.221 -9.659 1.00 0.00 C ATOM 761 C MET A 51 1.147 0.793 -8.991 1.00 0.00 C ATOM 762 O MET A 51 -0.072 0.717 -9.124 1.00 0.00 O ATOM 763 CB MET A 51 2.612 -1.205 -8.626 1.00 0.00 C ATOM 764 CG MET A 51 1.448 -1.920 -7.932 1.00 0.00 C ATOM 765 SD MET A 51 2.087 -3.233 -6.857 1.00 0.00 S ATOM 766 CE MET A 51 3.144 -2.198 -5.814 1.00 0.00 C ATOM 0 H MET A 51 4.063 0.412 -9.842 1.00 0.00 H new ATOM 0 HA MET A 51 1.502 -0.781 -10.403 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.262 -1.934 -9.110 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.218 -0.677 -7.890 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.869 -1.207 -7.345 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.773 -2.343 -8.676 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.225 -2.644 -4.823 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.135 -2.124 -6.261 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.709 -1.202 -5.729 1.00 0.00 H new ATOM 776 N ILE A 52 1.739 1.754 -8.287 1.00 0.00 N ATOM 777 CA ILE A 52 0.950 2.785 -7.629 1.00 0.00 C ATOM 778 C ILE A 52 0.204 3.609 -8.670 1.00 0.00 C ATOM 779 O ILE A 52 -0.971 3.904 -8.510 1.00 0.00 O ATOM 780 CB ILE A 52 1.848 3.693 -6.783 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.353 2.907 -5.570 1.00 0.00 C ATOM 782 CG2 ILE A 52 1.056 4.911 -6.293 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.492 3.677 -4.896 1.00 0.00 C ATOM 0 H ILE A 52 2.747 1.839 -8.160 1.00 0.00 H new ATOM 0 HA ILE A 52 0.228 2.304 -6.969 1.00 0.00 H new ATOM 0 HB ILE A 52 2.687 4.031 -7.391 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.539 2.749 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.701 1.922 -5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.704 5.549 -5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.686 5.473 -7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.214 4.577 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.850 3.116 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.309 3.813 -5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.129 4.652 -4.570 1.00 0.00 H new ATOM 795 N SER A 53 0.898 3.968 -9.740 1.00 0.00 N ATOM 796 CA SER A 53 0.274 4.749 -10.801 1.00 0.00 C ATOM 797 C SER A 53 -0.846 3.946 -11.458 1.00 0.00 C ATOM 798 O SER A 53 -1.935 4.463 -11.705 1.00 0.00 O ATOM 799 CB SER A 53 1.313 5.140 -11.848 1.00 0.00 C ATOM 800 OG SER A 53 0.808 6.217 -12.625 1.00 0.00 O ATOM 0 H SER A 53 1.879 3.736 -9.897 1.00 0.00 H new ATOM 0 HA SER A 53 -0.148 5.654 -10.364 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.245 5.431 -11.363 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.540 4.288 -12.489 1.00 0.00 H new ATOM 0 HG SER A 53 1.472 6.474 -13.299 1.00 0.00 H new ATOM 806 N GLU A 54 -0.562 2.682 -11.754 1.00 0.00 N ATOM 807 CA GLU A 54 -1.545 1.818 -12.403 1.00 0.00 C ATOM 808 C GLU A 54 -2.839 1.747 -11.593 1.00 0.00 C ATOM 809 O GLU A 54 -3.921 1.611 -12.164 1.00 0.00 O ATOM 810 CB GLU A 54 -0.969 0.405 -12.577 1.00 0.00 C ATOM 811 CG GLU A 54 -1.980 -0.480 -13.314 1.00 0.00 C ATOM 812 CD GLU A 54 -1.379 -1.858 -13.573 1.00 0.00 C ATOM 813 OE1 GLU A 54 -0.298 -1.916 -14.138 1.00 0.00 O ATOM 814 OE2 GLU A 54 -2.010 -2.835 -13.208 1.00 0.00 O ATOM 0 H GLU A 54 0.333 2.234 -11.557 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.773 2.244 -13.380 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.035 0.449 -13.137 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.737 -0.026 -11.603 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.890 -0.577 -12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.262 -0.014 -14.258 1.00 0.00 H new ATOM 821 N VAL A 55 -2.729 1.816 -10.265 1.00 0.00 N ATOM 822 CA VAL A 55 -3.914 1.732 -9.398 1.00 0.00 C ATOM 823 C VAL A 55 -4.321 3.099 -8.857 1.00 0.00 C ATOM 824 O VAL A 55 -5.504 3.363 -8.652 1.00 0.00 O ATOM 825 CB VAL A 55 -3.641 0.787 -8.220 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.987 -0.496 -8.729 1.00 0.00 C ATOM 827 CG2 VAL A 55 -2.707 1.460 -7.211 1.00 0.00 C ATOM 0 H VAL A 55 -1.845 1.928 -9.768 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.732 1.347 -10.006 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.588 0.550 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.795 -1.164 -7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.653 -0.987 -9.439 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.046 -0.254 -9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.520 0.781 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.763 1.707 -7.697 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.172 2.372 -6.837 1.00 0.00 H new ATOM 837 N ASP A 56 -3.344 3.964 -8.624 1.00 0.00 N ATOM 838 CA ASP A 56 -3.646 5.287 -8.104 1.00 0.00 C ATOM 839 C ASP A 56 -4.239 6.132 -9.218 1.00 0.00 C ATOM 840 O ASP A 56 -3.534 6.579 -10.123 1.00 0.00 O ATOM 841 CB ASP A 56 -2.382 5.941 -7.543 1.00 0.00 C ATOM 842 CG ASP A 56 -2.735 7.282 -6.908 1.00 0.00 C ATOM 843 OD1 ASP A 56 -3.798 7.794 -7.211 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.946 7.773 -6.114 1.00 0.00 O ATOM 0 H ASP A 56 -2.354 3.778 -8.783 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.368 5.205 -7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.921 5.287 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.652 6.086 -8.339 1.00 0.00 H new ATOM 849 N ALA A 57 -5.547 6.328 -9.144 1.00 0.00 N ATOM 850 CA ALA A 57 -6.249 7.108 -10.153 1.00 0.00 C ATOM 851 C ALA A 57 -5.865 8.576 -10.055 1.00 0.00 C ATOM 852 O ALA A 57 -5.947 9.317 -11.035 1.00 0.00 O ATOM 853 CB ALA A 57 -7.763 6.959 -9.987 1.00 0.00 C ATOM 0 H ALA A 57 -6.141 5.960 -8.401 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.961 6.731 -11.134 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.272 7.549 -10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.039 5.910 -10.095 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.057 7.312 -8.999 1.00 0.00 H new ATOM 859 N ASP A 58 -5.466 8.999 -8.856 1.00 0.00 N ATOM 860 CA ASP A 58 -5.095 10.397 -8.628 1.00 0.00 C ATOM 861 C ASP A 58 -3.585 10.606 -8.748 1.00 0.00 C ATOM 862 O ASP A 58 -3.129 11.720 -9.011 1.00 0.00 O ATOM 863 CB ASP A 58 -5.553 10.823 -7.234 1.00 0.00 C ATOM 864 CG ASP A 58 -4.935 9.906 -6.182 1.00 0.00 C ATOM 865 OD1 ASP A 58 -3.734 9.988 -5.991 1.00 0.00 O ATOM 866 OD2 ASP A 58 -5.669 9.135 -5.587 1.00 0.00 O ATOM 0 H ASP A 58 -5.391 8.400 -8.033 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.583 11.003 -9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.261 11.856 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.640 10.783 -7.171 1.00 0.00 H new ATOM 871 N GLY A 59 -2.813 9.541 -8.555 1.00 0.00 N ATOM 872 CA GLY A 59 -1.359 9.643 -8.645 1.00 0.00 C ATOM 873 C GLY A 59 -0.802 10.578 -7.571 1.00 0.00 C ATOM 874 O GLY A 59 0.092 11.381 -7.841 1.00 0.00 O ATOM 0 H GLY A 59 -3.163 8.608 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.915 8.654 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.078 10.011 -9.632 1.00 0.00 H new ATOM 878 N ASN A 60 -1.341 10.482 -6.356 1.00 0.00 N ATOM 879 CA ASN A 60 -0.885 11.341 -5.261 1.00 0.00 C ATOM 880 C ASN A 60 0.408 10.821 -4.635 1.00 0.00 C ATOM 881 O ASN A 60 1.087 11.550 -3.914 1.00 0.00 O ATOM 882 CB ASN A 60 -1.957 11.432 -4.174 1.00 0.00 C ATOM 883 CG ASN A 60 -2.231 10.048 -3.601 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.619 9.067 -4.025 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.114 9.908 -2.650 1.00 0.00 N ATOM 0 H ASN A 60 -2.083 9.829 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.696 12.327 -5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.628 12.105 -3.382 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.873 11.852 -4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.298 8.985 -2.257 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.620 10.722 -2.300 1.00 0.00 H new ATOM 892 N GLY A 61 0.746 9.557 -4.899 1.00 0.00 N ATOM 893 CA GLY A 61 1.961 8.960 -4.334 1.00 0.00 C ATOM 894 C GLY A 61 1.620 8.059 -3.149 1.00 0.00 C ATOM 895 O GLY A 61 2.501 7.447 -2.546 1.00 0.00 O ATOM 0 H GLY A 61 0.203 8.931 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.478 8.382 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.644 9.747 -4.014 1.00 0.00 H new ATOM 899 N THR A 62 0.330 7.983 -2.828 1.00 0.00 N ATOM 900 CA THR A 62 -0.153 7.155 -1.722 1.00 0.00 C ATOM 901 C THR A 62 -1.308 6.277 -2.197 1.00 0.00 C ATOM 902 O THR A 62 -1.819 6.456 -3.305 1.00 0.00 O ATOM 903 CB THR A 62 -0.631 8.042 -0.568 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.877 8.633 -0.912 1.00 0.00 O ATOM 905 CG2 THR A 62 0.397 9.143 -0.304 1.00 0.00 C ATOM 0 H THR A 62 -0.405 8.489 -3.322 1.00 0.00 H new ATOM 0 HA THR A 62 0.665 6.524 -1.375 1.00 0.00 H new ATOM 0 HB THR A 62 -0.748 7.435 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.185 9.200 -0.174 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.054 9.772 0.517 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.354 8.692 -0.040 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.517 9.751 -1.201 1.00 0.00 H new ATOM 913 N ILE A 63 -1.725 5.336 -1.350 1.00 0.00 N ATOM 914 CA ILE A 63 -2.834 4.434 -1.681 1.00 0.00 C ATOM 915 C ILE A 63 -3.970 4.614 -0.678 1.00 0.00 C ATOM 916 O ILE A 63 -3.757 4.508 0.533 1.00 0.00 O ATOM 917 CB ILE A 63 -2.358 2.974 -1.654 1.00 0.00 C ATOM 918 CG1 ILE A 63 -0.958 2.875 -2.261 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.316 2.098 -2.471 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.534 1.403 -2.329 1.00 0.00 C ATOM 0 H ILE A 63 -1.314 5.177 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.191 4.676 -2.682 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.337 2.630 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.951 3.313 -3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.248 3.442 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.973 1.064 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.317 2.158 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.340 2.449 -3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.464 1.331 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.525 0.980 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.239 0.850 -2.949 1.00 0.00 H new ATOM 932 N GLU A 64 -5.173 4.893 -1.182 1.00 0.00 N ATOM 933 CA GLU A 64 -6.335 5.087 -0.314 1.00 0.00 C ATOM 934 C GLU A 64 -7.114 3.778 -0.189 1.00 0.00 C ATOM 935 O GLU A 64 -6.870 2.830 -0.937 1.00 0.00 O ATOM 936 CB GLU A 64 -7.234 6.193 -0.885 1.00 0.00 C ATOM 937 CG GLU A 64 -8.313 6.570 0.138 1.00 0.00 C ATOM 938 CD GLU A 64 -9.047 7.825 -0.311 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.849 8.232 -1.443 1.00 0.00 O ATOM 940 OE2 GLU A 64 -9.802 8.358 0.485 1.00 0.00 O ATOM 0 H GLU A 64 -5.367 4.989 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.997 5.389 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.634 7.069 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.700 5.853 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.020 5.748 0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.857 6.736 1.114 1.00 0.00 H new ATOM 947 N PHE A 65 -8.040 3.721 0.764 1.00 0.00 N ATOM 948 CA PHE A 65 -8.824 2.511 0.975 1.00 0.00 C ATOM 949 C PHE A 65 -9.491 2.067 -0.325 1.00 0.00 C ATOM 950 O PHE A 65 -9.401 0.900 -0.704 1.00 0.00 O ATOM 951 CB PHE A 65 -9.898 2.761 2.047 1.00 0.00 C ATOM 952 CG PHE A 65 -10.874 1.600 2.083 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.563 0.440 2.801 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.090 1.691 1.391 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.468 -0.632 2.828 1.00 0.00 C ATOM 956 CE2 PHE A 65 -12.994 0.621 1.419 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.685 -0.540 2.137 1.00 0.00 C ATOM 0 H PHE A 65 -8.263 4.490 1.396 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.152 1.721 1.311 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.428 2.882 3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.430 3.688 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.627 0.370 3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.330 2.586 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.227 -1.528 3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.931 0.692 0.886 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.383 -1.364 2.159 1.00 0.00 H new ATOM 967 N ASP A 66 -10.165 2.988 -1.008 1.00 0.00 N ATOM 968 CA ASP A 66 -10.838 2.642 -2.254 1.00 0.00 C ATOM 969 C ASP A 66 -9.833 2.101 -3.263 1.00 0.00 C ATOM 970 O ASP A 66 -10.105 1.126 -3.966 1.00 0.00 O ATOM 971 CB ASP A 66 -11.529 3.878 -2.834 1.00 0.00 C ATOM 972 CG ASP A 66 -12.482 3.465 -3.952 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.322 2.617 -3.705 1.00 0.00 O ATOM 974 OD2 ASP A 66 -12.355 4.004 -5.039 1.00 0.00 O ATOM 0 H ASP A 66 -10.259 3.964 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.583 1.874 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.079 4.399 -2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.784 4.575 -3.218 1.00 0.00 H new ATOM 979 N GLU A 67 -8.666 2.731 -3.321 1.00 0.00 N ATOM 980 CA GLU A 67 -7.625 2.294 -4.239 1.00 0.00 C ATOM 981 C GLU A 67 -7.105 0.918 -3.832 1.00 0.00 C ATOM 982 O GLU A 67 -6.897 0.045 -4.674 1.00 0.00 O ATOM 983 CB GLU A 67 -6.476 3.303 -4.238 1.00 0.00 C ATOM 984 CG GLU A 67 -6.957 4.619 -4.852 1.00 0.00 C ATOM 985 CD GLU A 67 -5.856 5.671 -4.760 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.790 5.343 -4.271 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.098 6.790 -5.184 1.00 0.00 O ATOM 0 H GLU A 67 -8.419 3.538 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.046 2.229 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.125 3.471 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.632 2.911 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.236 4.463 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.849 4.968 -4.332 1.00 0.00 H new ATOM 994 N PHE A 68 -6.913 0.732 -2.529 1.00 0.00 N ATOM 995 CA PHE A 68 -6.433 -0.543 -2.007 1.00 0.00 C ATOM 996 C PHE A 68 -7.457 -1.646 -2.242 1.00 0.00 C ATOM 997 O PHE A 68 -7.098 -2.770 -2.596 1.00 0.00 O ATOM 998 CB PHE A 68 -6.141 -0.436 -0.511 1.00 0.00 C ATOM 999 CG PHE A 68 -5.592 -1.753 -0.013 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.228 -2.040 -0.151 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.444 -2.685 0.594 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.717 -3.256 0.317 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.932 -3.900 1.063 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.569 -4.186 0.925 1.00 0.00 C ATOM 0 H PHE A 68 -7.082 1.444 -1.819 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.514 -0.792 -2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.424 0.363 -0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.051 -0.180 0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.570 -1.322 -0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.496 -2.466 0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.665 -3.477 0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.589 -4.617 1.532 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.174 -5.124 1.287 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.732 -1.323 -2.038 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.800 -2.299 -2.222 1.00 0.00 C ATOM 1016 C LEU A 69 -9.854 -2.766 -3.675 1.00 0.00 C ATOM 1017 O LEU A 69 -10.020 -3.955 -3.947 1.00 0.00 O ATOM 1018 CB LEU A 69 -11.146 -1.669 -1.836 1.00 0.00 C ATOM 1019 CG LEU A 69 -12.257 -2.755 -1.785 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.368 -3.342 -0.360 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -13.608 -2.145 -2.191 1.00 0.00 C ATOM 0 H LEU A 69 -9.048 -0.398 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.600 -3.160 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.061 -1.180 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.415 -0.898 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.994 -3.552 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.150 -4.101 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.417 -3.793 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.616 -2.547 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.380 -2.913 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.864 -1.338 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.539 -1.750 -3.205 1.00 0.00 H new ATOM 1033 N SER A 70 -9.695 -1.827 -4.601 1.00 0.00 N ATOM 1034 CA SER A 70 -9.710 -2.165 -6.021 1.00 0.00 C ATOM 1035 C SER A 70 -8.505 -3.033 -6.374 1.00 0.00 C ATOM 1036 O SER A 70 -8.631 -4.029 -7.085 1.00 0.00 O ATOM 1037 CB SER A 70 -9.703 -0.897 -6.872 1.00 0.00 C ATOM 1038 OG SER A 70 -9.757 -1.254 -8.245 1.00 0.00 O ATOM 0 H SER A 70 -9.556 -0.837 -4.399 1.00 0.00 H new ATOM 0 HA SER A 70 -10.622 -2.724 -6.230 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.555 -0.267 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.804 -0.315 -6.671 1.00 0.00 H new ATOM 0 HG SER A 70 -9.754 -0.442 -8.794 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.333 -2.644 -5.876 1.00 0.00 N ATOM 1045 CA LEU A 71 -6.108 -3.393 -6.149 1.00 0.00 C ATOM 1046 C LEU A 71 -6.182 -4.801 -5.568 1.00 0.00 C ATOM 1047 O LEU A 71 -5.784 -5.779 -6.211 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.904 -2.648 -5.556 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.610 -3.458 -5.762 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -3.426 -3.810 -7.251 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.411 -2.625 -5.280 1.00 0.00 C ATOM 0 H LEU A 71 -7.206 -1.822 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.992 -3.477 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.806 -1.670 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.065 -2.474 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.675 -4.383 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.507 -4.382 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.274 -4.404 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.367 -2.893 -7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.492 -3.193 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.358 -1.699 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.532 -2.391 -4.222 1.00 0.00 H new ATOM 1063 N MET A 72 -6.709 -4.903 -4.354 1.00 0.00 N ATOM 1064 CA MET A 72 -6.834 -6.203 -3.708 1.00 0.00 C ATOM 1065 C MET A 72 -7.732 -7.117 -4.539 1.00 0.00 C ATOM 1066 O MET A 72 -7.368 -8.257 -4.833 1.00 0.00 O ATOM 1067 CB MET A 72 -7.409 -6.034 -2.291 1.00 0.00 C ATOM 1068 CG MET A 72 -7.347 -7.367 -1.544 1.00 0.00 C ATOM 1069 SD MET A 72 -7.801 -7.103 0.190 1.00 0.00 S ATOM 1070 CE MET A 72 -7.527 -8.798 0.767 1.00 0.00 C ATOM 0 H MET A 72 -7.052 -4.115 -3.804 1.00 0.00 H new ATOM 0 HA MET A 72 -5.846 -6.658 -3.633 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.845 -5.276 -1.748 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.440 -5.685 -2.346 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.024 -8.087 -2.004 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.343 -7.787 -1.609 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.111 -8.974 1.670 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.836 -9.500 -0.007 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.469 -8.941 0.986 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.894 -6.607 -4.931 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.814 -7.392 -5.742 1.00 0.00 C ATOM 1082 C ALA A 73 -9.204 -7.673 -7.113 1.00 0.00 C ATOM 1083 O ALA A 73 -9.189 -8.813 -7.573 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.137 -6.643 -5.909 1.00 0.00 C ATOM 0 H ALA A 73 -9.217 -5.667 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.001 -8.340 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.818 -7.239 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.583 -6.469 -4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.954 -5.687 -6.400 1.00 0.00 H new ATOM 1090 N LYS A 74 -8.695 -6.620 -7.760 1.00 0.00 N ATOM 1091 CA LYS A 74 -8.082 -6.768 -9.079 1.00 0.00 C ATOM 1092 C LYS A 74 -7.035 -7.871 -9.055 1.00 0.00 C ATOM 1093 O LYS A 74 -6.709 -8.446 -10.093 1.00 0.00 O ATOM 1094 CB LYS A 74 -7.431 -5.446 -9.527 1.00 0.00 C ATOM 1095 CG LYS A 74 -8.479 -4.540 -10.184 1.00 0.00 C ATOM 1096 CD LYS A 74 -7.857 -3.174 -10.496 1.00 0.00 C ATOM 1097 CE LYS A 74 -8.933 -2.244 -11.054 1.00 0.00 C ATOM 1098 NZ LYS A 74 -9.369 -2.739 -12.391 1.00 0.00 N ATOM 0 H LYS A 74 -8.696 -5.667 -7.395 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.865 -7.033 -9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.988 -4.940 -8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.623 -5.649 -10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.849 -5.000 -11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.335 -4.418 -9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.422 -2.745 -9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.048 -3.286 -11.217 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.784 -2.204 -10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.544 -1.229 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.886 -1.986 -12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.535 -3.013 -12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.991 -3.564 -12.270 1.00 0.00 H new ATOM 1112 N LYS A 75 -6.515 -8.183 -7.869 1.00 0.00 N ATOM 1113 CA LYS A 75 -5.519 -9.245 -7.752 1.00 0.00 C ATOM 1114 C LYS A 75 -6.197 -10.604 -7.582 1.00 0.00 C ATOM 1115 O LYS A 75 -5.786 -11.592 -8.191 1.00 0.00 O ATOM 1116 CB LYS A 75 -4.605 -8.975 -6.561 1.00 0.00 C ATOM 1117 CG LYS A 75 -3.435 -10.004 -6.533 1.00 0.00 C ATOM 1118 CD LYS A 75 -3.390 -10.727 -5.185 1.00 0.00 C ATOM 1119 CE LYS A 75 -2.271 -11.765 -5.203 1.00 0.00 C ATOM 1120 NZ LYS A 75 -0.955 -11.070 -5.264 1.00 0.00 N ATOM 0 H LYS A 75 -6.761 -7.725 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.926 -9.262 -8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.206 -7.962 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.176 -9.038 -5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.561 -10.729 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.489 -9.493 -6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.223 -10.010 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.347 -11.211 -4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.324 -12.389 -4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.386 -12.426 -6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.202 -11.726 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.777 -10.748 -6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.965 -10.250 -4.624 1.00 0.00 H new ATOM 1134 N VAL A 76 -7.238 -10.650 -6.750 1.00 0.00 N ATOM 1135 CA VAL A 76 -7.972 -11.898 -6.508 1.00 0.00 C ATOM 1136 C VAL A 76 -9.236 -11.948 -7.366 1.00 0.00 C ATOM 1137 O VAL A 76 -10.132 -12.754 -7.125 1.00 0.00 O ATOM 1138 CB VAL A 76 -8.360 -12.004 -5.024 1.00 0.00 C ATOM 1139 CG1 VAL A 76 -8.999 -13.385 -4.736 1.00 0.00 C ATOM 1140 CG2 VAL A 76 -7.109 -11.822 -4.160 1.00 0.00 C ATOM 0 H VAL A 76 -7.592 -9.845 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.325 -12.734 -6.775 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.086 -11.226 -4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.269 -13.448 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.893 -13.507 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.285 -14.173 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.380 -11.897 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.383 -12.597 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.672 -10.842 -4.354 1.00 0.00 H new ATOM 1150 N LYS A 77 -9.305 -11.082 -8.365 1.00 0.00 N ATOM 1151 CA LYS A 77 -10.473 -11.046 -9.242 1.00 0.00 C ATOM 1152 C LYS A 77 -10.659 -12.401 -9.916 1.00 0.00 C ATOM 1153 O LYS A 77 -11.659 -12.644 -10.589 1.00 0.00 O ATOM 1154 CB LYS A 77 -10.296 -9.950 -10.298 1.00 0.00 C ATOM 1155 CG LYS A 77 -11.600 -9.742 -11.078 1.00 0.00 C ATOM 1156 CD LYS A 77 -11.433 -8.557 -12.032 1.00 0.00 C ATOM 1157 CE LYS A 77 -12.735 -8.333 -12.805 1.00 0.00 C ATOM 1158 NZ LYS A 77 -13.817 -7.953 -11.855 1.00 0.00 N ATOM 0 H LYS A 77 -8.579 -10.402 -8.590 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.360 -10.825 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.000 -9.018 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.494 -10.223 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.850 -10.643 -11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.424 -9.556 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.172 -7.660 -11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.614 -8.748 -12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.598 -7.549 -13.550 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.011 -9.239 -13.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.585 -7.481 -12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.187 -8.807 -11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.436 -7.305 -11.136 1.00 0.00 H new ATOM 1172 N ASP A 78 -9.689 -13.289 -9.733 1.00 0.00 N ATOM 1173 CA ASP A 78 -9.773 -14.607 -10.345 1.00 0.00 C ATOM 1174 C ASP A 78 -11.095 -15.283 -9.984 1.00 0.00 C ATOM 1175 O ASP A 78 -11.865 -15.664 -10.864 1.00 0.00 O ATOM 1176 CB ASP A 78 -8.605 -15.477 -9.873 1.00 0.00 C ATOM 1177 CG ASP A 78 -8.661 -16.836 -10.560 1.00 0.00 C ATOM 1178 OD1 ASP A 78 -9.623 -17.077 -11.269 1.00 0.00 O ATOM 1179 OD2 ASP A 78 -7.739 -17.613 -10.374 1.00 0.00 O ATOM 0 H ASP A 78 -8.850 -13.124 -9.176 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.723 -14.489 -11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.659 -14.985 -10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.649 -15.604 -8.791 1.00 0.00 H new ATOM 1184 N THR A 79 -11.358 -15.427 -8.689 1.00 0.00 N ATOM 1185 CA THR A 79 -12.597 -16.057 -8.243 1.00 0.00 C ATOM 1186 C THR A 79 -13.801 -15.239 -8.698 1.00 0.00 C ATOM 1187 O THR A 79 -13.866 -14.073 -8.347 1.00 0.00 O ATOM 1188 CB THR A 79 -12.598 -16.178 -6.716 1.00 0.00 C ATOM 1189 OG1 THR A 79 -11.475 -16.946 -6.306 1.00 0.00 O ATOM 1190 CG2 THR A 79 -13.883 -16.865 -6.246 1.00 0.00 C ATOM 1191 OXT THR A 79 -14.635 -15.790 -9.397 1.00 0.00 O ATOM 0 H THR A 79 -10.739 -15.121 -7.938 1.00 0.00 H new ATOM 0 HA THR A 79 -12.663 -17.052 -8.683 1.00 0.00 H new ATOM 0 HB THR A 79 -12.545 -15.182 -6.277 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.471 -17.024 -5.329 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.875 -16.947 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.746 -16.277 -6.559 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.944 -17.861 -6.684 1.00 0.00 H new TER 1199 THR A 79 HETATM 1200 CA CA A 179 0.509 5.573 6.778 1.00 0.00 CA HETATM 1201 CA CA A 192 -3.594 7.872 -4.350 1.00 0.00 CA