USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 876 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 7 THR OG1 : rot 128:sc= 1.75 USER MOD Set 1.2: A 9 THR OG1 : rot 177:sc= 0.64 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -163:sc= 1.22 (180deg=1.13) USER MOD Set 2.2: B 686 GLN : amide:sc= 1.29 K(o=2.5,f=0.37) USER MOD Single : A 1 MET CE :methyl -173:sc= -0.0828 (180deg=-0.122) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.518 (180deg=0.495) USER MOD Single : A 2 GLN : amide:sc= -0.148 X(o=-0.15,f=0.015) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.16) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 25 ASN : amide:sc= -0.996! X(o=-1!,f=-0.99) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 2.35 (180deg=1.69) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= 1.08 (180deg=0.885) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= 1.13 (180deg=0.7) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 GLN : amide:sc= 1.35 K(o=1.4,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.14 K(o=1.1,f=-6.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0857 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0818 USER MOD Single : A 60 ASN : amide:sc= 0.339 X(o=0.34,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.926 K(o=0.93,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 57:sc= 0.855 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0505 X(o=-0.05,f=-0.5) USER MOD Single : B 678 THR OG1 : rot 180:sc= 0 USER MOD Single : B 681 SER OG : rot 180:sc=0.000557 USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= 0.58 K(o=0.58,f=-0.032) USER MOD Single : B 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 704 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 706 THR OG1 : rot -86:sc= -0.111 USER MOD Single : B 708 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.441 1.542 0.236 1.00 0.00 N ATOM 2 CA MET A 1 2.199 1.429 -1.056 1.00 0.00 C ATOM 3 C MET A 1 1.949 2.641 -1.949 1.00 0.00 C ATOM 4 O MET A 1 0.968 3.331 -1.728 1.00 0.00 O ATOM 5 CB MET A 1 1.885 0.130 -1.846 1.00 0.00 C ATOM 6 CG MET A 1 0.494 -0.031 -2.488 1.00 0.00 C ATOM 7 SD MET A 1 0.280 -1.665 -3.243 1.00 0.00 S ATOM 8 CE MET A 1 -0.848 -1.322 -4.620 1.00 0.00 C ATOM 0 H1 MET A 1 1.548 0.662 0.779 1.00 0.00 H new ATOM 0 H2 MET A 1 1.816 2.338 0.790 1.00 0.00 H new ATOM 0 H3 MET A 1 0.434 1.705 0.034 1.00 0.00 H new ATOM 0 HA MET A 1 3.251 1.390 -0.773 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.627 0.039 -2.639 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.036 -0.712 -1.170 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.275 0.122 -1.731 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.353 0.740 -3.246 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.153 -2.261 -5.083 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.728 -0.798 -4.247 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.342 -0.701 -5.359 1.00 0.00 H new ATOM 20 N GLN A 2 2.717 2.842 -3.027 1.00 0.00 N ATOM 21 CA GLN A 2 2.430 3.888 -4.020 1.00 0.00 C ATOM 22 C GLN A 2 2.343 3.300 -5.409 1.00 0.00 C ATOM 23 O GLN A 2 2.989 2.284 -5.670 1.00 0.00 O ATOM 24 CB GLN A 2 3.452 5.048 -3.934 1.00 0.00 C ATOM 25 CG GLN A 2 4.746 4.951 -4.768 1.00 0.00 C ATOM 26 CD GLN A 2 5.742 4.004 -4.123 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.642 4.387 -3.381 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.536 2.729 -4.386 1.00 0.00 N ATOM 0 H GLN A 2 3.549 2.290 -3.236 1.00 0.00 H new ATOM 0 HA GLN A 2 1.455 4.317 -3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.938 5.965 -4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.739 5.160 -2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.509 4.605 -5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.193 5.940 -4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.777 2.453 -5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.136 2.018 -3.967 1.00 0.00 H new ATOM 37 N ILE A 3 1.653 3.986 -6.310 1.00 0.00 N ATOM 38 CA ILE A 3 1.575 3.622 -7.724 1.00 0.00 C ATOM 39 C ILE A 3 1.713 4.885 -8.555 1.00 0.00 C ATOM 40 O ILE A 3 1.437 5.979 -8.074 1.00 0.00 O ATOM 41 CB ILE A 3 0.261 2.874 -8.014 1.00 0.00 C ATOM 42 CG1 ILE A 3 -0.952 3.664 -7.479 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.342 1.454 -7.416 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.234 3.384 -8.253 1.00 0.00 C ATOM 0 H ILE A 3 1.122 4.825 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 3 2.385 2.942 -7.988 1.00 0.00 H new ATOM 0 HB ILE A 3 0.121 2.784 -9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.106 3.415 -6.429 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.732 4.731 -7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.586 0.920 -7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.176 0.916 -7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.494 1.521 -6.339 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.050 3.969 -7.829 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.095 3.659 -9.298 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.475 2.323 -8.186 1.00 0.00 H new ATOM 56 N PHE A 4 2.148 4.713 -9.792 1.00 0.00 N ATOM 57 CA PHE A 4 2.547 5.778 -10.695 1.00 0.00 C ATOM 58 C PHE A 4 1.502 5.878 -11.790 1.00 0.00 C ATOM 59 O PHE A 4 1.498 5.107 -12.739 1.00 0.00 O ATOM 60 CB PHE A 4 3.935 5.461 -11.270 1.00 0.00 C ATOM 61 CG PHE A 4 4.940 4.860 -10.312 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.252 5.541 -9.130 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.575 3.638 -10.598 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.159 4.998 -8.209 1.00 0.00 C ATOM 65 CE2 PHE A 4 6.535 3.135 -9.707 1.00 0.00 C ATOM 66 CZ PHE A 4 6.826 3.804 -8.510 1.00 0.00 C ATOM 0 H PHE A 4 2.236 3.788 -10.212 1.00 0.00 H new ATOM 0 HA PHE A 4 2.612 6.734 -10.176 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.809 4.775 -12.107 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.356 6.382 -11.673 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.789 6.495 -8.925 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.326 3.092 -11.496 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.343 5.499 -7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.057 2.220 -9.947 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.558 3.402 -7.826 1.00 0.00 H new ATOM 76 N VAL A 5 0.565 6.796 -11.673 1.00 0.00 N ATOM 77 CA VAL A 5 -0.462 6.938 -12.698 1.00 0.00 C ATOM 78 C VAL A 5 0.127 7.883 -13.734 1.00 0.00 C ATOM 79 O VAL A 5 0.242 9.078 -13.495 1.00 0.00 O ATOM 80 CB VAL A 5 -1.791 7.398 -12.088 1.00 0.00 C ATOM 81 CG1 VAL A 5 -2.887 7.488 -13.165 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.219 6.413 -10.990 1.00 0.00 C ATOM 0 H VAL A 5 0.488 7.449 -10.893 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.719 5.994 -13.179 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.652 8.390 -11.658 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.820 7.816 -12.708 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.587 8.203 -13.931 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.031 6.508 -13.620 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.164 6.740 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.342 5.419 -11.420 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.455 6.380 -10.213 1.00 0.00 H new ATOM 92 N LYS A 6 0.572 7.351 -14.869 1.00 0.00 N ATOM 93 CA LYS A 6 1.041 8.183 -15.959 1.00 0.00 C ATOM 94 C LYS A 6 -0.201 8.797 -16.570 1.00 0.00 C ATOM 95 O LYS A 6 -1.105 8.064 -16.977 1.00 0.00 O ATOM 96 CB LYS A 6 1.855 7.317 -16.941 1.00 0.00 C ATOM 97 CG LYS A 6 2.616 8.242 -17.906 1.00 0.00 C ATOM 98 CD LYS A 6 3.566 7.526 -18.886 1.00 0.00 C ATOM 99 CE LYS A 6 4.487 8.542 -19.594 1.00 0.00 C ATOM 100 NZ LYS A 6 5.544 7.880 -20.405 1.00 0.00 N ATOM 0 H LYS A 6 0.615 6.349 -15.052 1.00 0.00 H new ATOM 0 HA LYS A 6 1.714 8.981 -15.644 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.554 6.684 -16.395 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.193 6.654 -17.498 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.890 8.816 -18.482 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.195 8.956 -17.320 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.169 6.795 -18.347 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.985 6.976 -19.627 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.887 9.184 -20.239 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.954 9.186 -18.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.296 8.565 -20.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.945 7.084 -19.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.131 7.528 -21.292 1.00 0.00 H new ATOM 114 N THR A 7 -0.304 10.122 -16.619 1.00 0.00 N ATOM 115 CA THR A 7 -1.377 10.695 -17.398 1.00 0.00 C ATOM 116 C THR A 7 -1.113 10.410 -18.850 1.00 0.00 C ATOM 117 O THR A 7 0.008 10.115 -19.240 1.00 0.00 O ATOM 118 CB THR A 7 -1.551 12.184 -17.147 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.319 12.821 -17.358 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.017 12.398 -15.725 1.00 0.00 C ATOM 0 H THR A 7 0.313 10.785 -16.151 1.00 0.00 H new ATOM 0 HA THR A 7 -2.317 10.235 -17.092 1.00 0.00 H new ATOM 0 HB THR A 7 -2.295 12.601 -17.826 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.438 13.563 -17.987 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.143 13.465 -15.540 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.968 11.888 -15.573 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.276 11.995 -15.035 1.00 0.00 H new ATOM 128 N LEU A 8 -2.137 10.552 -19.666 1.00 0.00 N ATOM 129 CA LEU A 8 -1.963 10.539 -21.105 1.00 0.00 C ATOM 130 C LEU A 8 -1.065 11.730 -21.533 1.00 0.00 C ATOM 131 O LEU A 8 -0.592 11.683 -22.659 1.00 0.00 O ATOM 132 CB LEU A 8 -3.359 10.555 -21.749 1.00 0.00 C ATOM 133 CG LEU A 8 -3.993 9.300 -22.349 1.00 0.00 C ATOM 134 CD1 LEU A 8 -5.444 9.571 -22.765 1.00 0.00 C ATOM 135 CD2 LEU A 8 -3.316 8.851 -23.632 1.00 0.00 C ATOM 0 H LEU A 8 -3.101 10.678 -19.357 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.450 9.640 -21.446 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.050 10.923 -20.991 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.330 11.301 -22.543 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.901 8.544 -21.569 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.876 8.665 -23.189 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.022 9.874 -21.892 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.466 10.367 -23.510 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.810 7.956 -24.010 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.384 9.645 -24.376 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.268 8.630 -23.432 1.00 0.00 H new ATOM 147 N THR A 9 -0.785 12.786 -20.732 1.00 0.00 N ATOM 148 CA THR A 9 0.258 13.764 -21.098 1.00 0.00 C ATOM 149 C THR A 9 1.615 13.118 -20.919 1.00 0.00 C ATOM 150 O THR A 9 2.567 13.382 -21.651 1.00 0.00 O ATOM 151 CB THR A 9 0.295 15.032 -20.222 1.00 0.00 C ATOM 152 OG1 THR A 9 -0.595 14.948 -19.138 1.00 0.00 O ATOM 153 CG2 THR A 9 0.020 16.274 -21.049 1.00 0.00 C ATOM 0 H THR A 9 -1.257 12.977 -19.848 1.00 0.00 H new ATOM 0 HA THR A 9 0.024 14.056 -22.122 1.00 0.00 H new ATOM 0 HB THR A 9 1.302 15.109 -19.812 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.507 15.748 -18.579 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.052 17.154 -20.406 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.776 16.367 -21.829 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.966 16.195 -21.507 1.00 0.00 H new ATOM 161 N GLY A 10 1.685 12.295 -19.884 1.00 0.00 N ATOM 162 CA GLY A 10 2.883 11.674 -19.412 1.00 0.00 C ATOM 163 C GLY A 10 3.396 12.348 -18.156 1.00 0.00 C ATOM 164 O GLY A 10 4.588 12.271 -17.869 1.00 0.00 O ATOM 0 H GLY A 10 0.864 12.040 -19.335 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.693 10.620 -19.210 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.647 11.717 -20.188 1.00 0.00 H new ATOM 168 N LYS A 11 2.504 13.011 -17.414 1.00 0.00 N ATOM 169 CA LYS A 11 2.841 13.502 -16.092 1.00 0.00 C ATOM 170 C LYS A 11 2.511 12.348 -15.185 1.00 0.00 C ATOM 171 O LYS A 11 1.341 12.019 -15.013 1.00 0.00 O ATOM 172 CB LYS A 11 2.044 14.764 -15.755 1.00 0.00 C ATOM 173 CG LYS A 11 2.329 15.243 -14.316 1.00 0.00 C ATOM 174 CD LYS A 11 1.409 14.734 -13.195 1.00 0.00 C ATOM 175 CE LYS A 11 -0.092 14.761 -13.504 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.655 16.127 -13.675 1.00 0.00 N ATOM 0 H LYS A 11 1.550 13.215 -17.712 1.00 0.00 H new ATOM 0 HA LYS A 11 3.884 13.803 -15.997 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.298 15.555 -16.460 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.979 14.565 -15.869 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.351 14.959 -14.065 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.290 16.332 -14.312 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.693 13.710 -12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.588 15.333 -12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.275 14.189 -14.413 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.627 14.258 -12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.681 16.063 -13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.469 16.689 -12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.209 16.586 -14.495 1.00 0.00 H new ATOM 190 N THR A 12 3.518 11.687 -14.664 1.00 0.00 N ATOM 191 CA THR A 12 3.301 10.581 -13.771 1.00 0.00 C ATOM 192 C THR A 12 2.967 11.160 -12.398 1.00 0.00 C ATOM 193 O THR A 12 3.798 11.806 -11.758 1.00 0.00 O ATOM 194 CB THR A 12 4.525 9.672 -13.820 1.00 0.00 C ATOM 195 OG1 THR A 12 4.977 9.543 -15.160 1.00 0.00 O ATOM 196 CG2 THR A 12 4.124 8.285 -13.347 1.00 0.00 C ATOM 0 H THR A 12 4.499 11.900 -14.846 1.00 0.00 H new ATOM 0 HA THR A 12 2.459 9.948 -14.053 1.00 0.00 H new ATOM 0 HB THR A 12 5.307 10.099 -13.192 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.764 8.960 -15.185 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.991 7.625 -13.377 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.748 8.343 -12.325 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.344 7.890 -13.998 1.00 0.00 H new ATOM 204 N ILE A 13 1.713 10.972 -11.989 1.00 0.00 N ATOM 205 CA ILE A 13 1.229 11.350 -10.673 1.00 0.00 C ATOM 206 C ILE A 13 1.361 10.086 -9.856 1.00 0.00 C ATOM 207 O ILE A 13 0.674 9.100 -10.106 1.00 0.00 O ATOM 208 CB ILE A 13 -0.199 11.949 -10.711 1.00 0.00 C ATOM 209 CG1 ILE A 13 -1.029 11.778 -9.405 1.00 0.00 C ATOM 210 CG2 ILE A 13 -1.059 11.591 -11.927 1.00 0.00 C ATOM 211 CD1 ILE A 13 -2.313 10.929 -9.481 1.00 0.00 C ATOM 0 H ILE A 13 0.997 10.545 -12.577 1.00 0.00 H new ATOM 0 HA ILE A 13 1.802 12.163 -10.227 1.00 0.00 H new ATOM 0 HB ILE A 13 0.051 13.005 -10.812 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.379 11.337 -8.649 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.304 12.771 -9.049 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.034 12.070 -11.837 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.567 11.938 -12.836 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.189 10.510 -11.975 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.787 10.897 -8.500 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.000 11.372 -10.202 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.061 9.916 -9.795 1.00 0.00 H new ATOM 223 N THR A 14 2.280 10.107 -8.909 1.00 0.00 N ATOM 224 CA THR A 14 2.446 9.014 -7.981 1.00 0.00 C ATOM 225 C THR A 14 1.436 9.249 -6.863 1.00 0.00 C ATOM 226 O THR A 14 1.222 10.392 -6.450 1.00 0.00 O ATOM 227 CB THR A 14 3.904 8.982 -7.508 1.00 0.00 C ATOM 228 OG1 THR A 14 4.744 8.959 -8.651 1.00 0.00 O ATOM 229 CG2 THR A 14 4.194 7.745 -6.644 1.00 0.00 C ATOM 0 H THR A 14 2.928 10.881 -8.765 1.00 0.00 H new ATOM 0 HA THR A 14 2.255 8.035 -8.420 1.00 0.00 H new ATOM 0 HB THR A 14 4.092 9.866 -6.899 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.682 8.940 -8.367 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.237 7.758 -6.328 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.549 7.755 -5.766 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.002 6.843 -7.224 1.00 0.00 H new ATOM 237 N LEU A 15 0.799 8.181 -6.382 1.00 0.00 N ATOM 238 CA LEU A 15 -0.165 8.272 -5.302 1.00 0.00 C ATOM 239 C LEU A 15 -0.013 7.091 -4.393 1.00 0.00 C ATOM 240 O LEU A 15 0.401 6.039 -4.858 1.00 0.00 O ATOM 241 CB LEU A 15 -1.598 8.389 -5.842 1.00 0.00 C ATOM 242 CG LEU A 15 -2.226 7.154 -6.494 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.709 7.072 -6.135 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.122 7.249 -7.995 1.00 0.00 C ATOM 0 H LEU A 15 0.941 7.234 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 15 0.030 9.179 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.241 8.694 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.614 9.197 -6.574 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.695 6.273 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.148 6.191 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.818 7.001 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.220 7.966 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.572 6.365 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.646 8.140 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.073 7.310 -8.284 1.00 0.00 H new ATOM 256 N GLU A 16 -0.390 7.237 -3.131 1.00 0.00 N ATOM 257 CA GLU A 16 -0.277 6.169 -2.157 1.00 0.00 C ATOM 258 C GLU A 16 -1.662 5.584 -1.921 1.00 0.00 C ATOM 259 O GLU A 16 -2.664 6.287 -1.775 1.00 0.00 O ATOM 260 CB GLU A 16 0.488 6.609 -0.901 1.00 0.00 C ATOM 261 CG GLU A 16 2.008 6.504 -1.134 1.00 0.00 C ATOM 262 CD GLU A 16 2.802 6.977 0.094 1.00 0.00 C ATOM 263 OE1 GLU A 16 3.135 8.183 0.181 1.00 0.00 O ATOM 264 OE2 GLU A 16 3.116 6.136 0.973 1.00 0.00 O ATOM 0 H GLU A 16 -0.783 8.101 -2.757 1.00 0.00 H new ATOM 0 HA GLU A 16 0.344 5.359 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.223 7.635 -0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.199 5.986 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.271 5.471 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.286 7.103 -2.001 1.00 0.00 H new ATOM 271 N VAL A 17 -1.681 4.261 -1.974 1.00 0.00 N ATOM 272 CA VAL A 17 -2.836 3.382 -2.012 1.00 0.00 C ATOM 273 C VAL A 17 -2.511 2.119 -1.198 1.00 0.00 C ATOM 274 O VAL A 17 -1.457 2.013 -0.568 1.00 0.00 O ATOM 275 CB VAL A 17 -3.145 3.050 -3.496 1.00 0.00 C ATOM 276 CG1 VAL A 17 -3.504 4.285 -4.334 1.00 0.00 C ATOM 277 CG2 VAL A 17 -1.962 2.338 -4.171 1.00 0.00 C ATOM 0 H VAL A 17 -0.810 3.730 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.717 3.851 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.014 2.393 -3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.708 3.981 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.389 4.765 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.671 4.987 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.213 2.120 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.083 2.981 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.750 1.407 -3.646 1.00 0.00 H new ATOM 287 N GLU A 18 -3.361 1.112 -1.333 1.00 0.00 N ATOM 288 CA GLU A 18 -3.172 -0.253 -0.841 1.00 0.00 C ATOM 289 C GLU A 18 -3.450 -1.177 -2.027 1.00 0.00 C ATOM 290 O GLU A 18 -4.122 -0.745 -2.962 1.00 0.00 O ATOM 291 CB GLU A 18 -4.157 -0.571 0.301 1.00 0.00 C ATOM 292 CG GLU A 18 -4.160 0.470 1.422 1.00 0.00 C ATOM 293 CD GLU A 18 -4.880 -0.055 2.680 1.00 0.00 C ATOM 294 OE1 GLU A 18 -6.128 0.069 2.777 1.00 0.00 O ATOM 295 OE2 GLU A 18 -4.197 -0.601 3.585 1.00 0.00 O ATOM 0 H GLU A 18 -4.252 1.227 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.164 -0.383 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.163 -0.650 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.908 -1.545 0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.134 0.737 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.650 1.379 1.074 1.00 0.00 H new ATOM 302 N PRO A 19 -3.025 -2.449 -2.031 1.00 0.00 N ATOM 303 CA PRO A 19 -3.471 -3.389 -3.059 1.00 0.00 C ATOM 304 C PRO A 19 -5.004 -3.543 -3.102 1.00 0.00 C ATOM 305 O PRO A 19 -5.579 -3.830 -4.151 1.00 0.00 O ATOM 306 CB PRO A 19 -2.770 -4.712 -2.741 1.00 0.00 C ATOM 307 CG PRO A 19 -1.641 -4.358 -1.773 1.00 0.00 C ATOM 308 CD PRO A 19 -2.139 -3.096 -1.074 1.00 0.00 C ATOM 0 HA PRO A 19 -3.210 -3.027 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.462 -5.424 -2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.379 -5.176 -3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.458 -5.163 -1.061 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.704 -4.179 -2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.667 -3.340 -0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.309 -2.443 -0.803 1.00 0.00 H new ATOM 316 N SER A 20 -5.688 -3.268 -1.993 1.00 0.00 N ATOM 317 CA SER A 20 -7.127 -3.423 -1.842 1.00 0.00 C ATOM 318 C SER A 20 -7.834 -2.092 -2.072 1.00 0.00 C ATOM 319 O SER A 20 -9.034 -1.978 -1.813 1.00 0.00 O ATOM 320 CB SER A 20 -7.433 -4.011 -0.455 1.00 0.00 C ATOM 321 OG SER A 20 -6.633 -5.164 -0.206 1.00 0.00 O ATOM 0 H SER A 20 -5.236 -2.919 -1.147 1.00 0.00 H new ATOM 0 HA SER A 20 -7.505 -4.116 -2.594 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.246 -3.260 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.489 -4.275 -0.392 1.00 0.00 H new ATOM 0 HG SER A 20 -6.842 -5.522 0.682 1.00 0.00 H new ATOM 327 N ASP A 21 -7.112 -1.074 -2.556 1.00 0.00 N ATOM 328 CA ASP A 21 -7.729 0.166 -2.933 1.00 0.00 C ATOM 329 C ASP A 21 -8.599 -0.109 -4.144 1.00 0.00 C ATOM 330 O ASP A 21 -8.107 -0.673 -5.132 1.00 0.00 O ATOM 331 CB ASP A 21 -6.689 1.241 -3.281 1.00 0.00 C ATOM 332 CG ASP A 21 -6.431 2.230 -2.138 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.467 1.847 -0.951 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.235 3.424 -2.458 1.00 0.00 O ATOM 0 H ASP A 21 -6.101 -1.102 -2.689 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.315 0.545 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.751 0.755 -3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.026 1.792 -4.159 1.00 0.00 H new ATOM 339 N THR A 22 -9.877 0.265 -4.079 1.00 0.00 N ATOM 340 CA THR A 22 -10.745 0.156 -5.235 1.00 0.00 C ATOM 341 C THR A 22 -10.405 1.233 -6.235 1.00 0.00 C ATOM 342 O THR A 22 -10.007 2.340 -5.864 1.00 0.00 O ATOM 343 CB THR A 22 -12.236 0.228 -4.883 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.436 1.210 -3.881 1.00 0.00 O ATOM 345 CG2 THR A 22 -12.740 -1.126 -4.418 1.00 0.00 C ATOM 0 H THR A 22 -10.324 0.642 -3.243 1.00 0.00 H new ATOM 0 HA THR A 22 -10.570 -0.830 -5.664 1.00 0.00 H new ATOM 0 HB THR A 22 -12.802 0.507 -5.772 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.389 1.259 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.800 -1.055 -4.173 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.600 -1.859 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.183 -1.438 -3.534 1.00 0.00 H new ATOM 353 N ILE A 23 -10.645 0.916 -7.501 1.00 0.00 N ATOM 354 CA ILE A 23 -10.546 1.864 -8.594 1.00 0.00 C ATOM 355 C ILE A 23 -11.418 3.085 -8.338 1.00 0.00 C ATOM 356 O ILE A 23 -10.950 4.179 -8.616 1.00 0.00 O ATOM 357 CB ILE A 23 -10.892 1.159 -9.916 1.00 0.00 C ATOM 358 CG1 ILE A 23 -10.027 -0.085 -10.194 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.818 2.104 -11.126 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.590 -0.096 -9.672 1.00 0.00 C ATOM 0 H ILE A 23 -10.917 -0.021 -7.797 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.522 2.230 -8.667 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.923 0.831 -9.783 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.541 -0.949 -9.773 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.990 -0.231 -11.274 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.071 1.555 -12.033 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.522 2.925 -10.990 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.808 2.504 -11.214 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.111 -1.036 -9.946 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.037 0.735 -10.111 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.596 0.005 -8.587 1.00 0.00 H new ATOM 372 N GLU A 24 -12.621 2.946 -7.776 1.00 0.00 N ATOM 373 CA GLU A 24 -13.462 4.090 -7.409 1.00 0.00 C ATOM 374 C GLU A 24 -12.669 5.082 -6.551 1.00 0.00 C ATOM 375 O GLU A 24 -12.584 6.273 -6.849 1.00 0.00 O ATOM 376 CB GLU A 24 -14.702 3.554 -6.667 1.00 0.00 C ATOM 377 CG GLU A 24 -15.605 4.658 -6.100 1.00 0.00 C ATOM 378 CD GLU A 24 -16.896 4.070 -5.501 1.00 0.00 C ATOM 379 OE1 GLU A 24 -16.884 3.658 -4.315 1.00 0.00 O ATOM 380 OE2 GLU A 24 -17.933 4.029 -6.205 1.00 0.00 O ATOM 0 H GLU A 24 -13.039 2.041 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.784 4.631 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.284 2.935 -7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.376 2.909 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.066 5.214 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.857 5.366 -6.889 1.00 0.00 H new ATOM 387 N ASN A 25 -12.029 4.572 -5.499 1.00 0.00 N ATOM 388 CA ASN A 25 -11.273 5.385 -4.555 1.00 0.00 C ATOM 389 C ASN A 25 -9.976 5.916 -5.182 1.00 0.00 C ATOM 390 O ASN A 25 -9.608 7.065 -4.960 1.00 0.00 O ATOM 391 CB ASN A 25 -11.063 4.570 -3.262 1.00 0.00 C ATOM 392 CG ASN A 25 -9.609 4.516 -2.828 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.132 5.349 -2.064 1.00 0.00 O ATOM 394 ND2 ASN A 25 -8.881 3.546 -3.343 1.00 0.00 N ATOM 0 H ASN A 25 -12.022 3.576 -5.279 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.833 6.282 -4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.660 5.007 -2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.429 3.555 -3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.891 3.472 -3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.308 2.869 -3.975 1.00 0.00 H new ATOM 401 N VAL A 26 -9.309 5.127 -6.023 1.00 0.00 N ATOM 402 CA VAL A 26 -8.110 5.551 -6.756 1.00 0.00 C ATOM 403 C VAL A 26 -8.480 6.718 -7.661 1.00 0.00 C ATOM 404 O VAL A 26 -7.864 7.773 -7.584 1.00 0.00 O ATOM 405 CB VAL A 26 -7.574 4.338 -7.531 1.00 0.00 C ATOM 406 CG1 VAL A 26 -6.551 4.705 -8.610 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.963 3.304 -6.585 1.00 0.00 C ATOM 0 H VAL A 26 -9.586 4.165 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.320 5.898 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.441 3.912 -8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.216 3.800 -9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.011 5.377 -9.334 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.697 5.200 -8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.592 2.457 -7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.138 3.757 -6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.722 2.960 -5.883 1.00 0.00 H new ATOM 417 N LYS A 27 -9.526 6.581 -8.478 1.00 0.00 N ATOM 418 CA LYS A 27 -10.010 7.666 -9.314 1.00 0.00 C ATOM 419 C LYS A 27 -10.333 8.922 -8.512 1.00 0.00 C ATOM 420 O LYS A 27 -10.074 10.015 -9.008 1.00 0.00 O ATOM 421 CB LYS A 27 -11.267 7.210 -10.052 1.00 0.00 C ATOM 422 CG LYS A 27 -11.104 6.143 -11.140 1.00 0.00 C ATOM 423 CD LYS A 27 -12.523 5.732 -11.566 1.00 0.00 C ATOM 424 CE LYS A 27 -12.555 5.146 -12.979 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.919 5.254 -13.579 1.00 0.00 N ATOM 0 H LYS A 27 -10.056 5.715 -8.574 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.214 7.917 -10.015 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.972 6.830 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.726 8.087 -10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.543 6.536 -11.988 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.549 5.285 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.914 4.998 -10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.180 6.600 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.836 5.669 -13.609 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.250 4.100 -12.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.841 5.277 -14.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.490 4.433 -13.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.376 6.127 -13.247 1.00 0.00 H new ATOM 439 N ALA A 28 -10.847 8.805 -7.289 1.00 0.00 N ATOM 440 CA ALA A 28 -11.071 9.974 -6.440 1.00 0.00 C ATOM 441 C ALA A 28 -9.740 10.651 -6.087 1.00 0.00 C ATOM 442 O ALA A 28 -9.652 11.876 -6.128 1.00 0.00 O ATOM 443 CB ALA A 28 -11.848 9.588 -5.178 1.00 0.00 C ATOM 0 H ALA A 28 -11.115 7.917 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.674 10.691 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.003 10.473 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.814 9.168 -5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.281 8.848 -4.614 1.00 0.00 H new ATOM 449 N LYS A 29 -8.672 9.886 -5.830 1.00 0.00 N ATOM 450 CA LYS A 29 -7.341 10.476 -5.623 1.00 0.00 C ATOM 451 C LYS A 29 -6.843 11.115 -6.920 1.00 0.00 C ATOM 452 O LYS A 29 -6.192 12.151 -6.900 1.00 0.00 O ATOM 453 CB LYS A 29 -6.361 9.415 -5.098 1.00 0.00 C ATOM 454 CG LYS A 29 -6.785 8.875 -3.723 1.00 0.00 C ATOM 455 CD LYS A 29 -5.800 7.829 -3.176 1.00 0.00 C ATOM 456 CE LYS A 29 -6.243 7.355 -1.780 1.00 0.00 C ATOM 457 NZ LYS A 29 -5.127 7.349 -0.792 1.00 0.00 N ATOM 0 H LYS A 29 -8.700 8.869 -5.761 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.409 11.261 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.302 8.591 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.363 9.846 -5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.861 9.703 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.777 8.431 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.747 6.979 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.799 8.256 -3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.040 8.004 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.659 6.351 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.398 6.780 0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.277 6.940 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.925 8.324 -0.490 1.00 0.00 H new ATOM 471 N ILE A 30 -7.190 10.545 -8.074 1.00 0.00 N ATOM 472 CA ILE A 30 -6.796 11.124 -9.357 1.00 0.00 C ATOM 473 C ILE A 30 -7.512 12.449 -9.523 1.00 0.00 C ATOM 474 O ILE A 30 -6.888 13.402 -9.927 1.00 0.00 O ATOM 475 CB ILE A 30 -7.073 10.186 -10.552 1.00 0.00 C ATOM 476 CG1 ILE A 30 -6.456 8.775 -10.458 1.00 0.00 C ATOM 477 CG2 ILE A 30 -6.621 10.854 -11.867 1.00 0.00 C ATOM 478 CD1 ILE A 30 -5.294 8.613 -9.475 1.00 0.00 C ATOM 0 H ILE A 30 -7.739 9.689 -8.146 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.717 11.275 -9.350 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.152 10.030 -10.530 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.243 8.074 -10.178 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.109 8.485 -11.450 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.821 10.184 -12.703 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.169 11.785 -12.009 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.553 11.066 -11.819 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.942 7.582 -9.495 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.480 9.280 -9.761 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.631 8.862 -8.469 1.00 0.00 H new ATOM 490 N GLN A 31 -8.786 12.558 -9.184 1.00 0.00 N ATOM 491 CA GLN A 31 -9.528 13.806 -9.200 1.00 0.00 C ATOM 492 C GLN A 31 -8.879 14.820 -8.262 1.00 0.00 C ATOM 493 O GLN A 31 -8.836 15.997 -8.600 1.00 0.00 O ATOM 494 CB GLN A 31 -10.987 13.571 -8.805 1.00 0.00 C ATOM 495 CG GLN A 31 -11.864 14.813 -9.072 1.00 0.00 C ATOM 496 CD GLN A 31 -12.524 15.300 -7.792 1.00 0.00 C ATOM 497 OE1 GLN A 31 -11.965 16.075 -7.022 1.00 0.00 O ATOM 498 NE2 GLN A 31 -13.726 14.818 -7.538 1.00 0.00 N ATOM 0 H GLN A 31 -9.346 11.761 -8.883 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.508 14.206 -10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.382 12.722 -9.363 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.039 13.310 -7.748 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.253 15.610 -9.496 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.629 14.571 -9.810 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.167 14.175 -8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.214 15.088 -6.684 1.00 0.00 H new ATOM 507 N ASP A 32 -8.325 14.374 -7.135 1.00 0.00 N ATOM 508 CA ASP A 32 -7.621 15.271 -6.233 1.00 0.00 C ATOM 509 C ASP A 32 -6.372 15.838 -6.929 1.00 0.00 C ATOM 510 O ASP A 32 -6.014 16.994 -6.688 1.00 0.00 O ATOM 511 CB ASP A 32 -7.275 14.569 -4.913 1.00 0.00 C ATOM 512 CG ASP A 32 -6.157 15.294 -4.142 1.00 0.00 C ATOM 513 OD1 ASP A 32 -6.448 16.312 -3.470 1.00 0.00 O ATOM 514 OD2 ASP A 32 -4.995 14.814 -4.174 1.00 0.00 O ATOM 0 H ASP A 32 -8.352 13.401 -6.830 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.275 16.106 -5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.167 14.513 -4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.966 13.544 -5.119 1.00 0.00 H new ATOM 519 N LYS A 33 -5.737 15.070 -7.834 1.00 0.00 N ATOM 520 CA LYS A 33 -4.472 15.484 -8.441 1.00 0.00 C ATOM 521 C LYS A 33 -4.653 16.189 -9.786 1.00 0.00 C ATOM 522 O LYS A 33 -3.952 17.151 -10.102 1.00 0.00 O ATOM 523 CB LYS A 33 -3.631 14.223 -8.623 1.00 0.00 C ATOM 524 CG LYS A 33 -3.297 13.576 -7.265 1.00 0.00 C ATOM 525 CD LYS A 33 -2.038 14.187 -6.635 1.00 0.00 C ATOM 526 CE LYS A 33 -1.658 13.365 -5.403 1.00 0.00 C ATOM 527 NZ LYS A 33 -2.373 13.818 -4.173 1.00 0.00 N ATOM 0 H LYS A 33 -6.082 14.166 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.988 16.210 -7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.170 13.510 -9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.708 14.471 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.140 13.701 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.152 12.504 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.219 14.190 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.221 15.225 -6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.886 12.315 -5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.582 13.435 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.448 13.026 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.844 14.597 -3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.326 14.148 -4.427 1.00 0.00 H new ATOM 541 N GLU A 34 -5.630 15.716 -10.553 1.00 0.00 N ATOM 542 CA GLU A 34 -5.861 16.049 -11.952 1.00 0.00 C ATOM 543 C GLU A 34 -7.082 16.946 -12.128 1.00 0.00 C ATOM 544 O GLU A 34 -7.065 17.864 -12.947 1.00 0.00 O ATOM 545 CB GLU A 34 -6.039 14.719 -12.715 1.00 0.00 C ATOM 546 CG GLU A 34 -4.795 13.820 -12.665 1.00 0.00 C ATOM 547 CD GLU A 34 -3.487 14.603 -12.840 1.00 0.00 C ATOM 548 OE1 GLU A 34 -3.273 15.232 -13.902 1.00 0.00 O ATOM 549 OE2 GLU A 34 -2.671 14.614 -11.894 1.00 0.00 O ATOM 0 H GLU A 34 -6.318 15.054 -10.195 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.014 16.611 -12.345 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.887 14.178 -12.295 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.282 14.935 -13.756 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.772 13.292 -11.712 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.867 13.064 -13.447 1.00 0.00 H new ATOM 556 N GLY A 35 -8.127 16.701 -11.343 1.00 0.00 N ATOM 557 CA GLY A 35 -9.338 17.510 -11.330 1.00 0.00 C ATOM 558 C GLY A 35 -10.448 16.892 -12.168 1.00 0.00 C ATOM 559 O GLY A 35 -11.394 17.593 -12.523 1.00 0.00 O ATOM 0 H GLY A 35 -8.155 15.920 -10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.683 17.629 -10.303 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.112 18.507 -11.708 1.00 0.00 H new ATOM 563 N ILE A 36 -10.346 15.595 -12.498 1.00 0.00 N ATOM 564 CA ILE A 36 -11.277 14.943 -13.414 1.00 0.00 C ATOM 565 C ILE A 36 -12.154 14.088 -12.525 1.00 0.00 C ATOM 566 O ILE A 36 -11.590 13.292 -11.773 1.00 0.00 O ATOM 567 CB ILE A 36 -10.522 14.066 -14.419 1.00 0.00 C ATOM 568 CG1 ILE A 36 -9.538 14.890 -15.267 1.00 0.00 C ATOM 569 CG2 ILE A 36 -11.519 13.337 -15.338 1.00 0.00 C ATOM 570 CD1 ILE A 36 -8.518 13.949 -15.890 1.00 0.00 C ATOM 0 H ILE A 36 -9.619 14.978 -12.137 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.851 15.663 -13.997 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.945 13.335 -13.852 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.074 15.434 -16.045 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.036 15.633 -14.647 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.972 12.717 -16.048 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.175 12.708 -14.737 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.116 14.070 -15.881 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.815 14.523 -16.494 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.977 13.426 -15.102 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.031 13.223 -16.521 1.00 0.00 H new ATOM 582 N PRO A 37 -13.486 14.186 -12.594 1.00 0.00 N ATOM 583 CA PRO A 37 -14.356 13.362 -11.774 1.00 0.00 C ATOM 584 C PRO A 37 -14.119 11.875 -12.047 1.00 0.00 C ATOM 585 O PRO A 37 -13.816 11.500 -13.180 1.00 0.00 O ATOM 586 CB PRO A 37 -15.785 13.824 -12.065 1.00 0.00 C ATOM 587 CG PRO A 37 -15.664 15.008 -13.032 1.00 0.00 C ATOM 588 CD PRO A 37 -14.235 14.948 -13.571 1.00 0.00 C ATOM 0 HA PRO A 37 -14.151 13.479 -10.710 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.372 13.019 -12.507 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.292 14.121 -11.147 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.392 14.931 -13.840 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.852 15.953 -12.522 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -14.204 14.469 -14.550 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -13.819 15.948 -13.692 1.00 0.00 H new ATOM 596 N PRO A 38 -14.277 10.997 -11.043 1.00 0.00 N ATOM 597 CA PRO A 38 -14.004 9.573 -11.215 1.00 0.00 C ATOM 598 C PRO A 38 -14.897 8.959 -12.277 1.00 0.00 C ATOM 599 O PRO A 38 -14.449 8.105 -13.043 1.00 0.00 O ATOM 600 CB PRO A 38 -14.281 8.940 -9.853 1.00 0.00 C ATOM 601 CG PRO A 38 -15.170 9.937 -9.108 1.00 0.00 C ATOM 602 CD PRO A 38 -14.714 11.279 -9.675 1.00 0.00 C ATOM 0 HA PRO A 38 -12.979 9.406 -11.547 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.779 7.977 -9.963 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.354 8.759 -9.309 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.228 9.756 -9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.024 9.882 -8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.526 12.006 -9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.902 11.700 -9.082 1.00 0.00 H new ATOM 610 N ASP A 39 -16.135 9.438 -12.370 1.00 0.00 N ATOM 611 CA ASP A 39 -17.109 8.871 -13.296 1.00 0.00 C ATOM 612 C ASP A 39 -16.758 9.177 -14.759 1.00 0.00 C ATOM 613 O ASP A 39 -17.260 8.514 -15.665 1.00 0.00 O ATOM 614 CB ASP A 39 -18.510 9.372 -12.925 1.00 0.00 C ATOM 615 CG ASP A 39 -19.614 8.695 -13.754 1.00 0.00 C ATOM 616 OD1 ASP A 39 -19.831 7.469 -13.595 1.00 0.00 O ATOM 617 OD2 ASP A 39 -20.294 9.401 -14.535 1.00 0.00 O ATOM 0 H ASP A 39 -16.487 10.218 -11.815 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.088 7.785 -13.206 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.690 9.188 -11.866 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.558 10.451 -13.073 1.00 0.00 H new ATOM 622 N GLN A 40 -15.841 10.124 -14.999 1.00 0.00 N ATOM 623 CA GLN A 40 -15.343 10.453 -16.343 1.00 0.00 C ATOM 624 C GLN A 40 -14.001 9.775 -16.621 1.00 0.00 C ATOM 625 O GLN A 40 -13.588 9.711 -17.778 1.00 0.00 O ATOM 626 CB GLN A 40 -15.242 11.987 -16.484 1.00 0.00 C ATOM 627 CG GLN A 40 -14.833 12.502 -17.883 1.00 0.00 C ATOM 628 CD GLN A 40 -15.848 12.205 -18.977 1.00 0.00 C ATOM 629 OE1 GLN A 40 -15.684 11.299 -19.796 1.00 0.00 O ATOM 630 NE2 GLN A 40 -16.928 12.966 -19.015 1.00 0.00 N ATOM 0 H GLN A 40 -15.420 10.688 -14.261 1.00 0.00 H new ATOM 0 HA GLN A 40 -16.044 10.074 -17.086 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -16.207 12.422 -16.224 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.519 12.354 -15.755 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.677 13.579 -17.830 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.878 12.055 -18.158 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -17.050 13.712 -18.331 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.639 12.807 -19.729 1.00 0.00 H new ATOM 639 N GLN A 41 -13.287 9.268 -15.612 1.00 0.00 N ATOM 640 CA GLN A 41 -12.012 8.615 -15.858 1.00 0.00 C ATOM 641 C GLN A 41 -12.273 7.232 -16.421 1.00 0.00 C ATOM 642 O GLN A 41 -13.194 6.533 -16.009 1.00 0.00 O ATOM 643 CB GLN A 41 -11.207 8.498 -14.550 1.00 0.00 C ATOM 644 CG GLN A 41 -10.587 9.828 -14.091 1.00 0.00 C ATOM 645 CD GLN A 41 -10.153 9.747 -12.639 1.00 0.00 C ATOM 646 OE1 GLN A 41 -9.482 8.802 -12.259 1.00 0.00 O ATOM 647 NE2 GLN A 41 -10.560 10.667 -11.778 1.00 0.00 N ATOM 0 H GLN A 41 -13.570 9.299 -14.633 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.434 9.207 -16.568 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.860 8.120 -13.763 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.413 7.764 -14.686 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.729 10.071 -14.719 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.311 10.634 -14.215 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.121 11.455 -12.101 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.313 10.587 -10.792 1.00 0.00 H new ATOM 656 N ARG A 42 -11.363 6.801 -17.277 1.00 0.00 N ATOM 657 CA ARG A 42 -11.298 5.464 -17.841 1.00 0.00 C ATOM 658 C ARG A 42 -9.892 5.024 -17.489 1.00 0.00 C ATOM 659 O ARG A 42 -8.942 5.503 -18.087 1.00 0.00 O ATOM 660 CB ARG A 42 -11.596 5.597 -19.339 1.00 0.00 C ATOM 661 CG ARG A 42 -11.722 4.268 -20.084 1.00 0.00 C ATOM 662 CD ARG A 42 -12.080 4.537 -21.557 1.00 0.00 C ATOM 663 NE ARG A 42 -12.632 3.345 -22.229 1.00 0.00 N ATOM 664 CZ ARG A 42 -13.320 3.308 -23.381 1.00 0.00 C ATOM 665 NH1 ARG A 42 -13.523 4.406 -24.106 1.00 0.00 N ATOM 666 NH2 ARG A 42 -13.809 2.150 -23.799 1.00 0.00 N ATOM 0 H ARG A 42 -10.612 7.404 -17.614 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.009 4.724 -17.473 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.523 6.157 -19.463 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.804 6.185 -19.803 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.785 3.714 -20.022 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.490 3.650 -19.619 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.806 5.349 -21.609 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.189 4.871 -22.089 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.473 2.450 -21.767 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.152 5.302 -23.789 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.049 4.351 -24.978 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.660 1.305 -23.248 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.334 2.104 -24.672 1.00 0.00 H new ATOM 680 N LEU A 43 -9.734 4.286 -16.402 1.00 0.00 N ATOM 681 CA LEU A 43 -8.404 3.979 -15.886 1.00 0.00 C ATOM 682 C LEU A 43 -7.945 2.775 -16.676 1.00 0.00 C ATOM 683 O LEU A 43 -8.714 1.836 -16.844 1.00 0.00 O ATOM 684 CB LEU A 43 -8.485 3.691 -14.368 1.00 0.00 C ATOM 685 CG LEU A 43 -7.372 4.349 -13.536 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.387 5.888 -13.638 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.615 3.978 -12.070 1.00 0.00 C ATOM 0 H LEU A 43 -10.502 3.889 -15.861 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.700 4.803 -15.998 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.451 4.034 -13.997 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.449 2.613 -14.213 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.412 3.996 -13.913 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.581 6.301 -13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.248 6.185 -14.677 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.343 6.267 -13.277 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.842 4.429 -11.448 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.592 4.347 -11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.584 2.894 -11.959 1.00 0.00 H new ATOM 699 N ILE A 44 -6.721 2.797 -17.172 1.00 0.00 N ATOM 700 CA ILE A 44 -6.153 1.701 -17.944 1.00 0.00 C ATOM 701 C ILE A 44 -4.923 1.241 -17.189 1.00 0.00 C ATOM 702 O ILE A 44 -4.287 2.010 -16.470 1.00 0.00 O ATOM 703 CB ILE A 44 -5.899 2.149 -19.411 1.00 0.00 C ATOM 704 CG1 ILE A 44 -7.264 2.541 -20.033 1.00 0.00 C ATOM 705 CG2 ILE A 44 -5.168 1.081 -20.249 1.00 0.00 C ATOM 706 CD1 ILE A 44 -7.327 2.688 -21.559 1.00 0.00 C ATOM 0 H ILE A 44 -6.084 3.584 -17.050 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.828 0.851 -18.042 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.227 3.007 -19.410 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.997 1.791 -19.736 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.577 3.486 -19.590 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.020 1.453 -21.263 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.200 0.864 -19.797 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.766 0.171 -20.280 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.339 2.964 -21.856 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.630 3.463 -21.879 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.057 1.741 -22.027 1.00 0.00 H new ATOM 718 N PHE A 45 -4.598 -0.027 -17.363 1.00 0.00 N ATOM 719 CA PHE A 45 -3.419 -0.637 -16.803 1.00 0.00 C ATOM 720 C PHE A 45 -2.951 -1.644 -17.832 1.00 0.00 C ATOM 721 O PHE A 45 -3.708 -2.550 -18.151 1.00 0.00 O ATOM 722 CB PHE A 45 -3.823 -1.345 -15.507 1.00 0.00 C ATOM 723 CG PHE A 45 -2.722 -2.205 -14.945 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.485 -1.611 -14.657 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.901 -3.592 -14.779 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.421 -2.396 -14.184 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.846 -4.374 -14.273 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.614 -3.773 -13.968 1.00 0.00 C ATOM 0 H PHE A 45 -5.165 -0.672 -17.913 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.631 0.081 -16.577 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.110 -0.600 -14.765 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.701 -1.963 -15.694 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.350 -0.549 -14.799 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.843 -4.053 -15.039 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.540 -1.945 -13.987 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.984 -5.434 -14.120 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.190 -4.371 -13.565 1.00 0.00 H new ATOM 738 N ALA A 46 -1.755 -1.484 -18.395 1.00 0.00 N ATOM 739 CA ALA A 46 -1.155 -2.470 -19.305 1.00 0.00 C ATOM 740 C ALA A 46 -2.029 -2.824 -20.528 1.00 0.00 C ATOM 741 O ALA A 46 -1.950 -3.924 -21.073 1.00 0.00 O ATOM 742 CB ALA A 46 -0.798 -3.714 -18.481 1.00 0.00 C ATOM 0 H ALA A 46 -1.169 -0.665 -18.235 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.262 -2.025 -19.744 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.350 -4.465 -19.132 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.089 -3.441 -17.699 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.701 -4.121 -18.026 1.00 0.00 H new ATOM 748 N GLY A 47 -2.888 -1.887 -20.941 1.00 0.00 N ATOM 749 CA GLY A 47 -3.834 -2.050 -22.052 1.00 0.00 C ATOM 750 C GLY A 47 -5.211 -2.559 -21.623 1.00 0.00 C ATOM 751 O GLY A 47 -6.116 -2.648 -22.452 1.00 0.00 O ATOM 0 H GLY A 47 -2.947 -0.969 -20.501 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.953 -1.092 -22.559 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.411 -2.744 -22.778 1.00 0.00 H new ATOM 755 N LYS A 48 -5.393 -2.862 -20.337 1.00 0.00 N ATOM 756 CA LYS A 48 -6.619 -3.389 -19.760 1.00 0.00 C ATOM 757 C LYS A 48 -7.274 -2.255 -18.992 1.00 0.00 C ATOM 758 O LYS A 48 -6.674 -1.684 -18.092 1.00 0.00 O ATOM 759 CB LYS A 48 -6.236 -4.610 -18.904 1.00 0.00 C ATOM 760 CG LYS A 48 -7.376 -5.159 -18.032 1.00 0.00 C ATOM 761 CD LYS A 48 -7.203 -6.648 -17.691 1.00 0.00 C ATOM 762 CE LYS A 48 -5.859 -6.975 -17.011 1.00 0.00 C ATOM 763 NZ LYS A 48 -5.712 -8.434 -16.734 1.00 0.00 N ATOM 0 H LYS A 48 -4.655 -2.740 -19.644 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.347 -3.738 -20.493 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.885 -5.404 -19.563 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.401 -4.338 -18.259 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.430 -4.583 -17.108 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.324 -5.018 -18.551 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.017 -6.959 -17.036 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.289 -7.234 -18.606 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.040 -6.643 -17.649 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.781 -6.419 -16.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.795 -8.610 -16.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.478 -8.747 -16.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.760 -8.964 -17.628 1.00 0.00 H new ATOM 777 N GLN A 49 -8.471 -1.857 -19.394 1.00 0.00 N ATOM 778 CA GLN A 49 -9.293 -0.894 -18.660 1.00 0.00 C ATOM 779 C GLN A 49 -9.680 -1.532 -17.325 1.00 0.00 C ATOM 780 O GLN A 49 -9.914 -2.741 -17.262 1.00 0.00 O ATOM 781 CB GLN A 49 -10.551 -0.583 -19.482 1.00 0.00 C ATOM 782 CG GLN A 49 -10.241 0.160 -20.794 1.00 0.00 C ATOM 783 CD GLN A 49 -11.337 -0.053 -21.836 1.00 0.00 C ATOM 784 OE1 GLN A 49 -12.381 0.585 -21.784 1.00 0.00 O ATOM 785 NE2 GLN A 49 -11.133 -0.925 -22.810 1.00 0.00 N ATOM 0 H GLN A 49 -8.909 -2.196 -20.251 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.749 0.034 -18.485 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.068 -1.515 -19.711 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.232 0.020 -18.881 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.133 1.226 -20.592 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.288 -0.187 -21.192 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.261 -1.453 -22.847 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.848 -1.069 -23.523 1.00 0.00 H new ATOM 794 N LEU A 50 -9.789 -0.708 -16.283 1.00 0.00 N ATOM 795 CA LEU A 50 -10.241 -1.143 -14.959 1.00 0.00 C ATOM 796 C LEU A 50 -11.667 -0.624 -14.729 1.00 0.00 C ATOM 797 O LEU A 50 -12.053 0.369 -15.354 1.00 0.00 O ATOM 798 CB LEU A 50 -9.285 -0.661 -13.848 1.00 0.00 C ATOM 799 CG LEU A 50 -7.770 -0.724 -14.124 1.00 0.00 C ATOM 800 CD1 LEU A 50 -6.999 -0.382 -12.848 1.00 0.00 C ATOM 801 CD2 LEU A 50 -7.311 -2.089 -14.636 1.00 0.00 C ATOM 0 H LEU A 50 -9.565 0.286 -16.333 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.240 -2.232 -14.920 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.540 0.372 -13.613 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.487 -1.251 -12.954 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.563 0.003 -14.909 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.928 -0.428 -13.047 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.265 0.623 -12.521 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.254 -1.098 -12.066 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.235 -2.069 -14.811 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.544 -2.853 -13.894 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.826 -2.320 -15.568 1.00 0.00 H new ATOM 813 N GLU A 51 -12.429 -1.228 -13.805 1.00 0.00 N ATOM 814 CA GLU A 51 -13.779 -0.771 -13.462 1.00 0.00 C ATOM 815 C GLU A 51 -13.819 -0.380 -11.986 1.00 0.00 C ATOM 816 O GLU A 51 -13.039 -0.884 -11.181 1.00 0.00 O ATOM 817 CB GLU A 51 -14.861 -1.786 -13.896 1.00 0.00 C ATOM 818 CG GLU A 51 -14.906 -3.057 -13.045 1.00 0.00 C ATOM 819 CD GLU A 51 -15.906 -4.142 -13.504 1.00 0.00 C ATOM 820 OE1 GLU A 51 -16.771 -3.884 -14.379 1.00 0.00 O ATOM 821 OE2 GLU A 51 -15.842 -5.272 -12.956 1.00 0.00 O ATOM 0 H GLU A 51 -12.125 -2.046 -13.277 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.024 0.126 -14.031 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.836 -1.300 -13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.686 -2.064 -14.935 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.908 -3.495 -13.027 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.149 -2.776 -12.020 1.00 0.00 H new ATOM 828 N ASP A 52 -14.728 0.532 -11.631 1.00 0.00 N ATOM 829 CA ASP A 52 -14.796 1.217 -10.332 1.00 0.00 C ATOM 830 C ASP A 52 -14.870 0.243 -9.164 1.00 0.00 C ATOM 831 O ASP A 52 -14.251 0.478 -8.126 1.00 0.00 O ATOM 832 CB ASP A 52 -16.007 2.163 -10.299 1.00 0.00 C ATOM 833 CG ASP A 52 -15.691 3.510 -10.954 1.00 0.00 C ATOM 834 OD1 ASP A 52 -15.551 3.550 -12.198 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.540 4.523 -10.235 1.00 0.00 O ATOM 0 H ASP A 52 -15.469 0.828 -12.266 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.875 1.789 -10.221 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.847 1.697 -10.813 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.315 2.324 -9.266 1.00 0.00 H new ATOM 840 N GLY A 53 -15.588 -0.861 -9.356 1.00 0.00 N ATOM 841 CA GLY A 53 -15.885 -1.841 -8.322 1.00 0.00 C ATOM 842 C GLY A 53 -14.760 -2.845 -8.077 1.00 0.00 C ATOM 843 O GLY A 53 -14.977 -3.839 -7.378 1.00 0.00 O ATOM 0 H GLY A 53 -15.989 -1.103 -10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.100 -1.317 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.789 -2.384 -8.599 1.00 0.00 H new ATOM 847 N ARG A 54 -13.575 -2.635 -8.662 1.00 0.00 N ATOM 848 CA ARG A 54 -12.454 -3.572 -8.596 1.00 0.00 C ATOM 849 C ARG A 54 -11.309 -2.927 -7.864 1.00 0.00 C ATOM 850 O ARG A 54 -11.382 -1.748 -7.551 1.00 0.00 O ATOM 851 CB ARG A 54 -12.068 -3.953 -10.024 1.00 0.00 C ATOM 852 CG ARG A 54 -13.157 -4.737 -10.762 1.00 0.00 C ATOM 853 CD ARG A 54 -13.455 -6.109 -10.188 1.00 0.00 C ATOM 854 NE ARG A 54 -14.327 -6.864 -11.100 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.347 -8.189 -11.279 1.00 0.00 C ATOM 856 NH1 ARG A 54 -13.493 -8.995 -10.644 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.250 -8.703 -12.112 1.00 0.00 N ATOM 0 H ARG A 54 -13.368 -1.795 -9.202 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.727 -4.476 -8.052 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.841 -3.046 -10.585 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.156 -4.549 -9.999 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.075 -4.149 -10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.859 -4.852 -11.804 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.525 -6.654 -10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.936 -6.007 -9.215 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.987 -6.319 -11.655 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.803 -8.603 -10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.531 -10.002 -10.800 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.905 -8.089 -12.596 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.286 -9.711 -12.266 1.00 0.00 H new ATOM 871 N THR A 55 -10.235 -3.657 -7.605 1.00 0.00 N ATOM 872 CA THR A 55 -9.127 -3.197 -6.790 1.00 0.00 C ATOM 873 C THR A 55 -7.840 -3.425 -7.537 1.00 0.00 C ATOM 874 O THR A 55 -7.794 -4.164 -8.520 1.00 0.00 O ATOM 875 CB THR A 55 -9.104 -3.956 -5.455 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.173 -5.345 -5.714 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.255 -3.569 -4.536 1.00 0.00 C ATOM 0 H THR A 55 -10.109 -4.604 -7.963 1.00 0.00 H new ATOM 0 HA THR A 55 -9.244 -2.134 -6.581 1.00 0.00 H new ATOM 0 HB THR A 55 -8.177 -3.692 -4.947 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.157 -5.837 -4.867 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.187 -4.137 -3.608 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.201 -2.503 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.203 -3.789 -5.027 1.00 0.00 H new ATOM 885 N LEU A 56 -6.773 -2.811 -7.046 1.00 0.00 N ATOM 886 CA LEU A 56 -5.456 -2.966 -7.659 1.00 0.00 C ATOM 887 C LEU A 56 -5.055 -4.446 -7.694 1.00 0.00 C ATOM 888 O LEU A 56 -4.688 -4.965 -8.748 1.00 0.00 O ATOM 889 CB LEU A 56 -4.451 -2.046 -6.931 1.00 0.00 C ATOM 890 CG LEU A 56 -4.899 -0.570 -6.916 1.00 0.00 C ATOM 891 CD1 LEU A 56 -3.802 0.309 -6.334 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.250 -0.054 -8.322 1.00 0.00 C ATOM 0 H LEU A 56 -6.790 -2.202 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.469 -2.650 -8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.323 -2.393 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.478 -2.121 -7.416 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.795 -0.520 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.132 1.348 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.585 -0.007 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.901 0.217 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.560 0.989 -8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.376 -0.135 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.064 -0.650 -8.736 1.00 0.00 H new ATOM 904 N SER A 57 -5.252 -5.149 -6.585 1.00 0.00 N ATOM 905 CA SER A 57 -5.030 -6.588 -6.473 1.00 0.00 C ATOM 906 C SER A 57 -5.908 -7.405 -7.423 1.00 0.00 C ATOM 907 O SER A 57 -5.433 -8.439 -7.892 1.00 0.00 O ATOM 908 CB SER A 57 -5.293 -7.065 -5.045 1.00 0.00 C ATOM 909 OG SER A 57 -4.117 -6.937 -4.271 1.00 0.00 O ATOM 0 H SER A 57 -5.579 -4.725 -5.717 1.00 0.00 H new ATOM 0 HA SER A 57 -3.988 -6.750 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.098 -6.480 -4.599 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.622 -8.104 -5.054 1.00 0.00 H new ATOM 0 HG SER A 57 -4.292 -7.243 -3.357 1.00 0.00 H new ATOM 915 N ASP A 58 -7.129 -6.964 -7.763 1.00 0.00 N ATOM 916 CA ASP A 58 -7.979 -7.689 -8.713 1.00 0.00 C ATOM 917 C ASP A 58 -7.280 -7.776 -10.073 1.00 0.00 C ATOM 918 O ASP A 58 -7.367 -8.788 -10.774 1.00 0.00 O ATOM 919 CB ASP A 58 -9.323 -6.986 -8.858 1.00 0.00 C ATOM 920 CG ASP A 58 -10.305 -7.835 -9.687 1.00 0.00 C ATOM 921 OD1 ASP A 58 -10.294 -7.756 -10.935 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.156 -8.536 -9.087 1.00 0.00 O ATOM 0 H ASP A 58 -7.547 -6.110 -7.394 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.152 -8.697 -8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.745 -6.795 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.181 -6.017 -9.337 1.00 0.00 H new ATOM 927 N TYR A 59 -6.484 -6.746 -10.376 1.00 0.00 N ATOM 928 CA TYR A 59 -5.697 -6.625 -11.598 1.00 0.00 C ATOM 929 C TYR A 59 -4.231 -7.026 -11.382 1.00 0.00 C ATOM 930 O TYR A 59 -3.411 -6.918 -12.294 1.00 0.00 O ATOM 931 CB TYR A 59 -5.857 -5.191 -12.109 1.00 0.00 C ATOM 932 CG TYR A 59 -7.292 -4.856 -12.448 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.916 -5.506 -13.531 1.00 0.00 C ATOM 934 CD2 TYR A 59 -8.021 -3.943 -11.663 1.00 0.00 C ATOM 935 CE1 TYR A 59 -9.256 -5.229 -13.851 1.00 0.00 C ATOM 936 CE2 TYR A 59 -9.363 -3.675 -11.968 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.982 -4.302 -13.074 1.00 0.00 C ATOM 938 OH TYR A 59 -11.257 -3.965 -13.414 1.00 0.00 O ATOM 0 H TYR A 59 -6.369 -5.947 -9.752 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.062 -7.320 -12.354 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.494 -4.496 -11.352 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.236 -5.052 -12.994 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.361 -6.222 -14.119 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.547 -3.450 -10.827 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.728 -5.723 -14.687 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.926 -2.987 -11.356 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.687 -4.722 -13.864 1.00 0.00 H new ATOM 948 N ASN A 60 -3.908 -7.502 -10.176 1.00 0.00 N ATOM 949 CA ASN A 60 -2.588 -7.913 -9.694 1.00 0.00 C ATOM 950 C ASN A 60 -1.570 -6.766 -9.747 1.00 0.00 C ATOM 951 O ASN A 60 -0.363 -7.003 -9.758 1.00 0.00 O ATOM 952 CB ASN A 60 -2.083 -9.210 -10.367 1.00 0.00 C ATOM 953 CG ASN A 60 -2.996 -10.442 -10.296 1.00 0.00 C ATOM 954 OD1 ASN A 60 -2.819 -11.372 -11.078 1.00 0.00 O ATOM 955 ND2 ASN A 60 -3.963 -10.525 -9.389 1.00 0.00 N ATOM 0 H ASN A 60 -4.620 -7.619 -9.455 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.705 -8.163 -8.639 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.892 -8.992 -11.418 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.126 -9.473 -9.917 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.552 -11.357 -9.346 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.117 -9.757 -8.736 1.00 0.00 H new ATOM 962 N ILE A 61 -2.045 -5.518 -9.766 1.00 0.00 N ATOM 963 CA ILE A 61 -1.237 -4.318 -9.592 1.00 0.00 C ATOM 964 C ILE A 61 -0.764 -4.363 -8.137 1.00 0.00 C ATOM 965 O ILE A 61 -1.542 -4.718 -7.248 1.00 0.00 O ATOM 966 CB ILE A 61 -2.126 -3.086 -9.846 1.00 0.00 C ATOM 967 CG1 ILE A 61 -2.682 -3.049 -11.281 1.00 0.00 C ATOM 968 CG2 ILE A 61 -1.402 -1.756 -9.547 1.00 0.00 C ATOM 969 CD1 ILE A 61 -3.964 -2.226 -11.366 1.00 0.00 C ATOM 0 H ILE A 61 -3.034 -5.313 -9.908 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.391 -4.263 -10.277 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.958 -3.190 -9.149 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.933 -2.627 -11.951 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.878 -4.066 -11.622 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.076 -0.922 -9.744 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.095 -1.736 -8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.522 -1.669 -10.185 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.327 -2.223 -12.394 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.721 -2.664 -10.715 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.761 -1.203 -11.050 1.00 0.00 H new ATOM 981 N GLN A 62 0.488 -3.999 -7.881 1.00 0.00 N ATOM 982 CA GLN A 62 1.093 -3.983 -6.552 1.00 0.00 C ATOM 983 C GLN A 62 1.726 -2.601 -6.351 1.00 0.00 C ATOM 984 O GLN A 62 1.413 -1.655 -7.073 1.00 0.00 O ATOM 985 CB GLN A 62 2.100 -5.146 -6.436 1.00 0.00 C ATOM 986 CG GLN A 62 1.442 -6.518 -6.641 1.00 0.00 C ATOM 987 CD GLN A 62 0.606 -6.994 -5.448 1.00 0.00 C ATOM 988 OE1 GLN A 62 1.120 -7.622 -4.526 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.693 -6.722 -5.430 1.00 0.00 N ATOM 0 H GLN A 62 1.130 -3.698 -8.614 1.00 0.00 H new ATOM 0 HA GLN A 62 0.360 -4.137 -5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.891 -5.012 -7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.572 -5.117 -5.454 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.804 -6.475 -7.524 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.219 -7.255 -6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.115 -6.200 -6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.269 -7.035 -4.648 1.00 0.00 H new ATOM 998 N LYS A 63 2.583 -2.444 -5.345 1.00 0.00 N ATOM 999 CA LYS A 63 3.394 -1.253 -5.168 1.00 0.00 C ATOM 1000 C LYS A 63 4.279 -1.015 -6.384 1.00 0.00 C ATOM 1001 O LYS A 63 4.544 -1.912 -7.179 1.00 0.00 O ATOM 1002 CB LYS A 63 4.231 -1.401 -3.884 1.00 0.00 C ATOM 1003 CG LYS A 63 5.439 -2.331 -4.013 1.00 0.00 C ATOM 1004 CD LYS A 63 6.070 -2.578 -2.633 1.00 0.00 C ATOM 1005 CE LYS A 63 7.430 -3.265 -2.801 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.064 -3.613 -1.501 1.00 0.00 N ATOM 0 H LYS A 63 2.732 -3.151 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 63 2.746 -0.382 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.580 -0.415 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.587 -1.773 -3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.132 -3.279 -4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.176 -1.890 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.192 -1.633 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.411 -3.199 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.303 -4.172 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.097 -2.609 -3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.980 -4.074 -1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.212 -2.747 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.444 -4.261 -0.975 1.00 0.00 H new ATOM 1020 N GLU A 64 4.757 0.225 -6.439 1.00 0.00 N ATOM 1021 CA GLU A 64 5.651 0.783 -7.441 1.00 0.00 C ATOM 1022 C GLU A 64 5.246 0.313 -8.842 1.00 0.00 C ATOM 1023 O GLU A 64 6.060 -0.154 -9.640 1.00 0.00 O ATOM 1024 CB GLU A 64 7.134 0.645 -7.010 1.00 0.00 C ATOM 1025 CG GLU A 64 7.799 -0.728 -7.131 1.00 0.00 C ATOM 1026 CD GLU A 64 9.134 -0.780 -6.366 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.132 -1.110 -5.156 1.00 0.00 O ATOM 1028 OE2 GLU A 64 10.198 -0.502 -6.972 1.00 0.00 O ATOM 0 H GLU A 64 4.509 0.915 -5.730 1.00 0.00 H new ATOM 0 HA GLU A 64 5.544 1.865 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.719 1.351 -7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.209 0.960 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.127 -1.494 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.972 -0.958 -8.182 1.00 0.00 H new ATOM 1035 N SER A 65 3.938 0.416 -9.103 1.00 0.00 N ATOM 1036 CA SER A 65 3.353 -0.087 -10.350 1.00 0.00 C ATOM 1037 C SER A 65 2.691 1.066 -11.083 1.00 0.00 C ATOM 1038 O SER A 65 2.199 1.995 -10.445 1.00 0.00 O ATOM 1039 CB SER A 65 2.358 -1.226 -10.069 1.00 0.00 C ATOM 1040 OG SER A 65 3.010 -2.374 -9.549 1.00 0.00 O ATOM 0 H SER A 65 3.265 0.843 -8.467 1.00 0.00 H new ATOM 0 HA SER A 65 4.138 -0.503 -10.982 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.603 -0.884 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.836 -1.489 -10.989 1.00 0.00 H new ATOM 0 HG SER A 65 3.498 -2.132 -8.735 1.00 0.00 H new ATOM 1046 N THR A 66 2.682 1.014 -12.410 1.00 0.00 N ATOM 1047 CA THR A 66 2.264 2.131 -13.249 1.00 0.00 C ATOM 1048 C THR A 66 0.854 1.881 -13.776 1.00 0.00 C ATOM 1049 O THR A 66 0.491 0.756 -14.104 1.00 0.00 O ATOM 1050 CB THR A 66 3.274 2.356 -14.401 1.00 0.00 C ATOM 1051 OG1 THR A 66 4.594 2.334 -13.880 1.00 0.00 O ATOM 1052 CG2 THR A 66 3.071 3.686 -15.149 1.00 0.00 C ATOM 0 H THR A 66 2.967 0.189 -12.938 1.00 0.00 H new ATOM 0 HA THR A 66 2.247 3.043 -12.652 1.00 0.00 H new ATOM 0 HB THR A 66 3.107 1.551 -15.117 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.235 2.475 -14.608 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.814 3.775 -15.942 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.072 3.710 -15.584 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.183 4.516 -14.452 1.00 0.00 H new ATOM 1060 N LEU A 67 0.076 2.955 -13.873 1.00 0.00 N ATOM 1061 CA LEU A 67 -1.303 3.025 -14.346 1.00 0.00 C ATOM 1062 C LEU A 67 -1.425 4.077 -15.445 1.00 0.00 C ATOM 1063 O LEU A 67 -0.493 4.851 -15.645 1.00 0.00 O ATOM 1064 CB LEU A 67 -2.164 3.446 -13.143 1.00 0.00 C ATOM 1065 CG LEU A 67 -3.371 2.556 -12.897 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -2.909 1.200 -12.376 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.268 3.196 -11.850 1.00 0.00 C ATOM 0 H LEU A 67 0.423 3.875 -13.600 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.623 2.065 -14.751 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.541 3.449 -12.249 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.507 4.469 -13.297 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.917 2.430 -13.832 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.776 0.563 -12.200 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.257 0.730 -13.112 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.363 1.336 -11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.134 2.558 -11.673 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.712 3.319 -10.921 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.602 4.171 -12.204 1.00 0.00 H new ATOM 1079 N HIS A 68 -2.599 4.199 -16.070 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.835 5.194 -17.129 1.00 0.00 C ATOM 1081 C HIS A 68 -4.162 5.920 -16.925 1.00 0.00 C ATOM 1082 O HIS A 68 -5.179 5.276 -16.685 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.843 4.513 -18.513 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.501 4.395 -19.191 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -1.028 3.248 -19.827 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -0.617 5.418 -19.397 1.00 0.00 C ATOM 1087 CE1 HIS A 68 0.145 3.601 -20.381 1.00 0.00 C ATOM 1088 NE2 HIS A 68 0.425 4.887 -20.125 1.00 0.00 N ATOM 0 H HIS A 68 -3.410 3.617 -15.861 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.025 5.922 -17.079 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.263 3.513 -18.403 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.513 5.070 -19.168 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.478 2.333 -19.864 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.716 6.438 -19.057 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.776 2.938 -20.955 1.00 0.00 H new ATOM 1096 N LEU A 69 -4.159 7.252 -17.068 1.00 0.00 N ATOM 1097 CA LEU A 69 -5.388 8.062 -17.135 1.00 0.00 C ATOM 1098 C LEU A 69 -5.787 8.112 -18.596 1.00 0.00 C ATOM 1099 O LEU A 69 -5.038 8.639 -19.411 1.00 0.00 O ATOM 1100 CB LEU A 69 -5.176 9.506 -16.579 1.00 0.00 C ATOM 1101 CG LEU A 69 -5.906 10.712 -17.264 1.00 0.00 C ATOM 1102 CD1 LEU A 69 -7.426 10.579 -17.153 1.00 0.00 C ATOM 1103 CD2 LEU A 69 -5.523 12.036 -16.616 1.00 0.00 C ATOM 0 H LEU A 69 -3.303 7.802 -17.141 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.165 7.613 -16.516 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.472 9.499 -15.530 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.106 9.713 -16.607 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.597 10.698 -18.309 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.902 11.431 -17.638 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.747 9.658 -17.640 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.713 10.553 -16.102 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.047 12.851 -17.116 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.800 12.019 -15.562 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.447 12.188 -16.706 1.00 0.00 H new ATOM 1115 N VAL A 70 -6.987 7.630 -18.894 1.00 0.00 N ATOM 1116 CA VAL A 70 -7.662 7.770 -20.175 1.00 0.00 C ATOM 1117 C VAL A 70 -9.057 8.306 -19.827 1.00 0.00 C ATOM 1118 O VAL A 70 -9.469 8.272 -18.671 1.00 0.00 O ATOM 1119 CB VAL A 70 -7.566 6.403 -20.880 1.00 0.00 C ATOM 1120 CG1 VAL A 70 -8.384 6.342 -22.155 1.00 0.00 C ATOM 1121 CG2 VAL A 70 -6.096 6.082 -21.211 1.00 0.00 C ATOM 0 H VAL A 70 -7.541 7.106 -18.216 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.238 8.471 -20.894 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.973 5.665 -20.189 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.278 5.356 -22.608 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.433 6.524 -21.923 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.029 7.102 -22.852 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.038 5.114 -21.709 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.694 6.853 -21.869 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.514 6.051 -20.290 1.00 0.00 H new ATOM 1131 N LEU A 71 -9.789 8.851 -20.794 1.00 0.00 N ATOM 1132 CA LEU A 71 -11.093 9.464 -20.567 1.00 0.00 C ATOM 1133 C LEU A 71 -12.178 8.461 -20.965 1.00 0.00 C ATOM 1134 O LEU A 71 -11.969 7.650 -21.858 1.00 0.00 O ATOM 1135 CB LEU A 71 -11.156 10.732 -21.426 1.00 0.00 C ATOM 1136 CG LEU A 71 -12.384 11.617 -21.131 1.00 0.00 C ATOM 1137 CD1 LEU A 71 -11.997 12.783 -20.242 1.00 0.00 C ATOM 1138 CD2 LEU A 71 -13.013 12.136 -22.416 1.00 0.00 C ATOM 0 H LEU A 71 -9.490 8.880 -21.769 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.247 9.730 -19.521 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.250 11.316 -21.264 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.168 10.448 -22.478 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.119 11.000 -20.614 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.876 13.397 -20.044 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.598 12.406 -19.300 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.239 13.386 -20.742 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.876 12.756 -22.174 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.282 12.730 -22.965 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.332 11.294 -23.031 1.00 0.00 H new ATOM 1150 N ARG A 72 -13.348 8.522 -20.333 1.00 0.00 N ATOM 1151 CA ARG A 72 -14.527 7.723 -20.712 1.00 0.00 C ATOM 1152 C ARG A 72 -15.145 8.184 -22.030 1.00 0.00 C ATOM 1153 O ARG A 72 -15.769 7.384 -22.714 1.00 0.00 O ATOM 1154 CB ARG A 72 -15.584 7.831 -19.592 1.00 0.00 C ATOM 1155 CG ARG A 72 -16.552 6.637 -19.545 1.00 0.00 C ATOM 1156 CD ARG A 72 -17.281 6.674 -18.202 1.00 0.00 C ATOM 1157 NE ARG A 72 -18.314 5.628 -18.074 1.00 0.00 N ATOM 1158 CZ ARG A 72 -19.125 5.489 -17.015 1.00 0.00 C ATOM 1159 NH1 ARG A 72 -19.028 6.346 -16.004 1.00 0.00 N ATOM 1160 NH2 ARG A 72 -20.026 4.516 -16.977 1.00 0.00 N ATOM 0 H ARG A 72 -13.513 9.133 -19.533 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.200 6.692 -20.847 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.076 7.915 -18.631 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.157 8.748 -19.731 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.265 6.692 -20.368 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.007 5.700 -19.657 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.554 6.559 -17.398 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.745 7.652 -18.074 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.418 4.966 -18.843 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.342 7.100 -16.039 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.640 6.250 -15.193 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.107 3.865 -17.758 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.638 4.419 -16.167 1.00 0.00 H new ATOM 1174 N LEU A 73 -14.961 9.469 -22.367 1.00 0.00 N ATOM 1175 CA LEU A 73 -15.670 10.160 -23.454 1.00 0.00 C ATOM 1176 C LEU A 73 -17.170 10.032 -23.135 1.00 0.00 C ATOM 1177 O LEU A 73 -17.967 9.764 -24.030 1.00 0.00 O ATOM 1178 CB LEU A 73 -15.304 9.676 -24.889 1.00 0.00 C ATOM 1179 CG LEU A 73 -13.853 9.670 -25.418 1.00 0.00 C ATOM 1180 CD1 LEU A 73 -13.177 11.007 -25.692 1.00 0.00 C ATOM 1181 CD2 LEU A 73 -12.909 8.755 -24.643 1.00 0.00 C ATOM 0 H LEU A 73 -14.298 10.072 -21.879 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.359 11.204 -23.485 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.672 8.654 -24.977 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.886 10.285 -25.581 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.035 9.253 -26.409 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.165 10.835 -26.058 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.746 11.555 -26.443 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.136 11.589 -24.772 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.911 8.809 -25.078 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.868 9.073 -23.601 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.273 7.729 -24.695 1.00 0.00 H new ATOM 1325 N ILE B 677 -9.918 17.041 -32.459 1.00 0.00 N ATOM 1326 CA ILE B 677 -9.179 16.389 -31.381 1.00 0.00 C ATOM 1327 C ILE B 677 -8.069 17.356 -30.964 1.00 0.00 C ATOM 1328 O ILE B 677 -7.454 18.004 -31.818 1.00 0.00 O ATOM 1329 CB ILE B 677 -8.597 15.033 -31.842 1.00 0.00 C ATOM 1330 CG1 ILE B 677 -9.758 14.096 -32.248 1.00 0.00 C ATOM 1331 CG2 ILE B 677 -7.714 14.398 -30.740 1.00 0.00 C ATOM 1332 CD1 ILE B 677 -9.289 12.816 -32.936 1.00 0.00 C ATOM 0 HA ILE B 677 -9.836 16.167 -30.540 1.00 0.00 H new ATOM 0 HB ILE B 677 -7.953 15.194 -32.706 1.00 0.00 H new ATOM 0 HG12 ILE B 677 -10.331 13.833 -31.359 1.00 0.00 H new ATOM 0 HG13 ILE B 677 -10.432 14.633 -32.915 1.00 0.00 H new ATOM 0 HG21 ILE B 677 -7.319 13.446 -31.094 1.00 0.00 H new ATOM 0 HG22 ILE B 677 -6.887 15.069 -30.505 1.00 0.00 H new ATOM 0 HG23 ILE B 677 -8.313 14.232 -29.844 1.00 0.00 H new ATOM 0 HD11 ILE B 677 -10.153 12.204 -33.194 1.00 0.00 H new ATOM 0 HD12 ILE B 677 -8.740 13.070 -33.843 1.00 0.00 H new ATOM 0 HD13 ILE B 677 -8.638 12.259 -32.263 1.00 0.00 H new ATOM 1344 N THR B 678 -7.783 17.421 -29.672 1.00 0.00 N ATOM 1345 CA THR B 678 -6.704 18.187 -29.102 1.00 0.00 C ATOM 1346 C THR B 678 -5.935 17.341 -28.077 1.00 0.00 C ATOM 1347 O THR B 678 -6.429 16.344 -27.537 1.00 0.00 O ATOM 1348 CB THR B 678 -7.308 19.496 -28.574 1.00 0.00 C ATOM 1349 OG1 THR B 678 -6.286 20.426 -28.276 1.00 0.00 O ATOM 1350 CG2 THR B 678 -8.239 19.339 -27.370 1.00 0.00 C ATOM 0 H THR B 678 -8.324 16.917 -28.969 1.00 0.00 H new ATOM 0 HA THR B 678 -5.943 18.460 -29.833 1.00 0.00 H new ATOM 0 HB THR B 678 -7.937 19.864 -29.384 1.00 0.00 H new ATOM 0 HG1 THR B 678 -6.686 21.256 -27.942 1.00 0.00 H new ATOM 0 HG21 THR B 678 -8.615 20.317 -27.071 1.00 0.00 H new ATOM 0 HG22 THR B 678 -9.076 18.695 -27.639 1.00 0.00 H new ATOM 0 HG23 THR B 678 -7.690 18.892 -26.541 1.00 0.00 H new ATOM 1358 N PHE B 679 -4.698 17.762 -27.824 1.00 0.00 N ATOM 1359 CA PHE B 679 -3.760 17.153 -26.897 1.00 0.00 C ATOM 1360 C PHE B 679 -3.375 18.246 -25.883 1.00 0.00 C ATOM 1361 O PHE B 679 -2.414 18.987 -26.106 1.00 0.00 O ATOM 1362 CB PHE B 679 -2.573 16.545 -27.658 1.00 0.00 C ATOM 1363 CG PHE B 679 -2.870 15.206 -28.325 1.00 0.00 C ATOM 1364 CD1 PHE B 679 -2.886 14.011 -27.572 1.00 0.00 C ATOM 1365 CD2 PHE B 679 -3.094 15.141 -29.715 1.00 0.00 C ATOM 1366 CE1 PHE B 679 -3.122 12.773 -28.190 1.00 0.00 C ATOM 1367 CE2 PHE B 679 -3.313 13.901 -30.342 1.00 0.00 C ATOM 1368 CZ PHE B 679 -3.319 12.716 -29.581 1.00 0.00 C ATOM 0 H PHE B 679 -4.306 18.582 -28.288 1.00 0.00 H new ATOM 0 HA PHE B 679 -4.192 16.313 -26.353 1.00 0.00 H new ATOM 0 HB2 PHE B 679 -2.246 17.252 -28.420 1.00 0.00 H new ATOM 0 HB3 PHE B 679 -1.741 16.415 -26.965 1.00 0.00 H new ATOM 0 HD1 PHE B 679 -2.714 14.050 -26.506 1.00 0.00 H new ATOM 0 HD2 PHE B 679 -3.098 16.048 -30.302 1.00 0.00 H new ATOM 0 HE1 PHE B 679 -3.152 11.869 -27.600 1.00 0.00 H new ATOM 0 HE2 PHE B 679 -3.477 13.858 -31.409 1.00 0.00 H new ATOM 0 HZ PHE B 679 -3.475 11.764 -30.066 1.00 0.00 H new ATOM 1378 N PRO B 680 -4.186 18.436 -24.823 1.00 0.00 N ATOM 1379 CA PRO B 680 -4.016 19.474 -23.803 1.00 0.00 C ATOM 1380 C PRO B 680 -2.837 19.164 -22.866 1.00 0.00 C ATOM 1381 O PRO B 680 -2.228 18.098 -22.940 1.00 0.00 O ATOM 1382 CB PRO B 680 -5.339 19.457 -23.020 1.00 0.00 C ATOM 1383 CG PRO B 680 -5.675 17.969 -23.038 1.00 0.00 C ATOM 1384 CD PRO B 680 -5.342 17.621 -24.486 1.00 0.00 C ATOM 0 HA PRO B 680 -3.795 20.444 -24.248 1.00 0.00 H new ATOM 0 HB2 PRO B 680 -5.222 19.840 -22.006 1.00 0.00 H new ATOM 0 HB3 PRO B 680 -6.110 20.059 -23.501 1.00 0.00 H new ATOM 0 HG2 PRO B 680 -5.075 17.401 -22.327 1.00 0.00 H new ATOM 0 HG3 PRO B 680 -6.721 17.778 -22.797 1.00 0.00 H new ATOM 0 HD2 PRO B 680 -5.119 16.559 -24.594 1.00 0.00 H new ATOM 0 HD3 PRO B 680 -6.182 17.839 -25.146 1.00 0.00 H new ATOM 1392 N SER B 681 -2.628 20.014 -21.860 1.00 0.00 N ATOM 1393 CA SER B 681 -1.714 19.818 -20.735 1.00 0.00 C ATOM 1394 C SER B 681 -2.083 18.622 -19.824 1.00 0.00 C ATOM 1395 O SER B 681 -1.612 18.552 -18.688 1.00 0.00 O ATOM 1396 CB SER B 681 -1.653 21.128 -19.926 1.00 0.00 C ATOM 1397 OG SER B 681 -1.504 22.254 -20.791 1.00 0.00 O ATOM 0 H SER B 681 -3.119 20.906 -21.806 1.00 0.00 H new ATOM 0 HA SER B 681 -0.735 19.567 -21.144 1.00 0.00 H new ATOM 0 HB2 SER B 681 -2.561 21.237 -19.334 1.00 0.00 H new ATOM 0 HB3 SER B 681 -0.819 21.089 -19.226 1.00 0.00 H new ATOM 0 HG SER B 681 -1.469 23.075 -20.257 1.00 0.00 H new ATOM 1403 N ASP B 682 -2.906 17.677 -20.298 1.00 0.00 N ATOM 1404 CA ASP B 682 -3.283 16.451 -19.592 1.00 0.00 C ATOM 1405 C ASP B 682 -3.208 15.210 -20.491 1.00 0.00 C ATOM 1406 O ASP B 682 -3.160 14.094 -19.971 1.00 0.00 O ATOM 1407 CB ASP B 682 -4.704 16.537 -19.030 1.00 0.00 C ATOM 1408 CG ASP B 682 -4.905 17.702 -18.044 1.00 0.00 C ATOM 1409 OD1 ASP B 682 -4.653 17.527 -16.829 1.00 0.00 O ATOM 1410 OD2 ASP B 682 -5.332 18.789 -18.501 1.00 0.00 O ATOM 0 H ASP B 682 -3.342 17.751 -21.217 1.00 0.00 H new ATOM 0 HA ASP B 682 -2.562 16.353 -18.780 1.00 0.00 H new ATOM 0 HB2 ASP B 682 -5.407 16.645 -19.856 1.00 0.00 H new ATOM 0 HB3 ASP B 682 -4.945 15.600 -18.527 1.00 0.00 H new ATOM 1415 N ILE B 683 -3.202 15.360 -21.824 1.00 0.00 N ATOM 1416 CA ILE B 683 -3.152 14.266 -22.773 1.00 0.00 C ATOM 1417 C ILE B 683 -2.237 14.694 -23.926 1.00 0.00 C ATOM 1418 O ILE B 683 -2.459 15.742 -24.509 1.00 0.00 O ATOM 1419 CB ILE B 683 -4.583 13.876 -23.216 1.00 0.00 C ATOM 1420 CG1 ILE B 683 -5.363 13.171 -22.083 1.00 0.00 C ATOM 1421 CG2 ILE B 683 -4.533 12.949 -24.447 1.00 0.00 C ATOM 1422 CD1 ILE B 683 -6.057 14.014 -21.023 1.00 0.00 C ATOM 0 H ILE B 683 -3.233 16.276 -22.272 1.00 0.00 H new ATOM 0 HA ILE B 683 -2.734 13.362 -22.330 1.00 0.00 H new ATOM 0 HB ILE B 683 -5.102 14.800 -23.469 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -6.121 12.541 -22.549 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -4.668 12.507 -21.570 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -5.548 12.685 -24.745 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -4.036 13.463 -25.270 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -3.980 12.043 -24.198 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -6.555 13.360 -20.307 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -5.319 14.626 -20.504 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -6.795 14.661 -21.498 1.00 0.00 H new ATOM 1434 N ASP B 684 -1.229 13.887 -24.271 1.00 0.00 N ATOM 1435 CA ASP B 684 -0.169 14.182 -25.241 1.00 0.00 C ATOM 1436 C ASP B 684 0.027 12.960 -26.152 1.00 0.00 C ATOM 1437 O ASP B 684 -0.175 11.832 -25.680 1.00 0.00 O ATOM 1438 CB ASP B 684 1.138 14.454 -24.491 1.00 0.00 C ATOM 1439 CG ASP B 684 2.335 14.665 -25.420 1.00 0.00 C ATOM 1440 OD1 ASP B 684 2.982 13.653 -25.769 1.00 0.00 O ATOM 1441 OD2 ASP B 684 2.637 15.831 -25.760 1.00 0.00 O ATOM 0 H ASP B 684 -1.125 12.960 -23.859 1.00 0.00 H new ATOM 0 HA ASP B 684 -0.444 15.053 -25.835 1.00 0.00 H new ATOM 0 HB2 ASP B 684 1.013 15.337 -23.865 1.00 0.00 H new ATOM 0 HB3 ASP B 684 1.347 13.618 -23.824 1.00 0.00 H new ATOM 1446 N PRO B 685 0.388 13.130 -27.439 1.00 0.00 N ATOM 1447 CA PRO B 685 0.535 12.008 -28.351 1.00 0.00 C ATOM 1448 C PRO B 685 1.465 10.904 -27.846 1.00 0.00 C ATOM 1449 O PRO B 685 1.218 9.747 -28.170 1.00 0.00 O ATOM 1450 CB PRO B 685 1.054 12.595 -29.667 1.00 0.00 C ATOM 1451 CG PRO B 685 0.546 14.034 -29.641 1.00 0.00 C ATOM 1452 CD PRO B 685 0.604 14.381 -28.156 1.00 0.00 C ATOM 0 HA PRO B 685 -0.430 11.514 -28.463 1.00 0.00 H new ATOM 0 HB2 PRO B 685 2.142 12.554 -29.723 1.00 0.00 H new ATOM 0 HB3 PRO B 685 0.670 12.049 -30.529 1.00 0.00 H new ATOM 0 HG2 PRO B 685 1.174 14.696 -30.237 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -0.467 14.114 -30.037 1.00 0.00 H new ATOM 0 HD2 PRO B 685 1.568 14.818 -27.895 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -0.159 15.115 -27.897 1.00 0.00 H new ATOM 1460 N GLN B 686 2.521 11.200 -27.072 1.00 0.00 N ATOM 1461 CA GLN B 686 3.505 10.175 -26.746 1.00 0.00 C ATOM 1462 C GLN B 686 2.883 9.042 -25.923 1.00 0.00 C ATOM 1463 O GLN B 686 3.005 7.892 -26.346 1.00 0.00 O ATOM 1464 CB GLN B 686 4.827 10.770 -26.201 1.00 0.00 C ATOM 1465 CG GLN B 686 5.331 10.295 -24.824 1.00 0.00 C ATOM 1466 CD GLN B 686 4.704 10.964 -23.594 1.00 0.00 C ATOM 1467 OE1 GLN B 686 4.939 10.521 -22.473 1.00 0.00 O ATOM 1468 NE2 GLN B 686 3.896 12.003 -23.730 1.00 0.00 N ATOM 0 H GLN B 686 2.707 12.120 -26.672 1.00 0.00 H new ATOM 0 HA GLN B 686 3.821 9.692 -27.670 1.00 0.00 H new ATOM 0 HB2 GLN B 686 5.610 10.563 -26.931 1.00 0.00 H new ATOM 0 HB3 GLN B 686 4.710 11.853 -26.157 1.00 0.00 H new ATOM 0 HG2 GLN B 686 5.161 9.221 -24.751 1.00 0.00 H new ATOM 0 HG3 GLN B 686 6.409 10.451 -24.784 1.00 0.00 H new ATOM 0 HE21 GLN B 686 3.697 12.376 -24.658 1.00 0.00 H new ATOM 0 HE22 GLN B 686 3.473 12.431 -22.907 1.00 0.00 H new ATOM 1477 N VAL B 687 2.160 9.305 -24.821 1.00 0.00 N ATOM 1478 CA VAL B 687 1.520 8.224 -24.089 1.00 0.00 C ATOM 1479 C VAL B 687 0.503 7.535 -24.990 1.00 0.00 C ATOM 1480 O VAL B 687 0.333 6.325 -24.894 1.00 0.00 O ATOM 1481 CB VAL B 687 0.859 8.761 -22.817 1.00 0.00 C ATOM 1482 CG1 VAL B 687 0.505 7.616 -21.865 1.00 0.00 C ATOM 1483 CG2 VAL B 687 1.781 9.739 -22.088 1.00 0.00 C ATOM 0 H VAL B 687 2.012 10.237 -24.433 1.00 0.00 H new ATOM 0 HA VAL B 687 2.271 7.493 -23.788 1.00 0.00 H new ATOM 0 HB VAL B 687 -0.050 9.281 -23.120 1.00 0.00 H new ATOM 0 HG11 VAL B 687 0.036 8.020 -20.968 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -0.186 6.933 -22.359 1.00 0.00 H new ATOM 0 HG13 VAL B 687 1.412 7.078 -21.590 1.00 0.00 H new ATOM 0 HG21 VAL B 687 1.286 10.104 -21.188 1.00 0.00 H new ATOM 0 HG22 VAL B 687 2.705 9.231 -21.812 1.00 0.00 H new ATOM 0 HG23 VAL B 687 2.010 10.580 -22.743 1.00 0.00 H new ATOM 1493 N PHE B 688 -0.134 8.275 -25.899 1.00 0.00 N ATOM 1494 CA PHE B 688 -1.087 7.703 -26.824 1.00 0.00 C ATOM 1495 C PHE B 688 -0.432 6.784 -27.859 1.00 0.00 C ATOM 1496 O PHE B 688 -1.095 5.890 -28.374 1.00 0.00 O ATOM 1497 CB PHE B 688 -1.867 8.834 -27.500 1.00 0.00 C ATOM 1498 CG PHE B 688 -3.191 8.385 -28.051 1.00 0.00 C ATOM 1499 CD1 PHE B 688 -4.167 7.910 -27.164 1.00 0.00 C ATOM 1500 CD2 PHE B 688 -3.463 8.471 -29.426 1.00 0.00 C ATOM 1501 CE1 PHE B 688 -5.444 7.574 -27.629 1.00 0.00 C ATOM 1502 CE2 PHE B 688 -4.732 8.091 -29.903 1.00 0.00 C ATOM 1503 CZ PHE B 688 -5.715 7.645 -29.005 1.00 0.00 C ATOM 0 H PHE B 688 0.002 9.280 -26.007 1.00 0.00 H new ATOM 0 HA PHE B 688 -1.771 7.070 -26.258 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -2.032 9.635 -26.780 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -1.266 9.251 -28.308 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -3.932 7.803 -26.115 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -2.706 8.825 -30.111 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -6.213 7.263 -26.937 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -4.949 8.143 -30.960 1.00 0.00 H new ATOM 0 HZ PHE B 688 -6.687 7.354 -29.375 1.00 0.00 H new ATOM 1513 N TYR B 689 0.857 6.945 -28.148 1.00 0.00 N ATOM 1514 CA TYR B 689 1.625 6.052 -29.004 1.00 0.00 C ATOM 1515 C TYR B 689 2.229 4.892 -28.210 1.00 0.00 C ATOM 1516 O TYR B 689 2.635 3.889 -28.802 1.00 0.00 O ATOM 1517 CB TYR B 689 2.723 6.845 -29.718 1.00 0.00 C ATOM 1518 CG TYR B 689 2.253 7.978 -30.617 1.00 0.00 C ATOM 1519 CD1 TYR B 689 0.978 7.957 -31.219 1.00 0.00 C ATOM 1520 CD2 TYR B 689 3.122 9.054 -30.873 1.00 0.00 C ATOM 1521 CE1 TYR B 689 0.576 8.988 -32.084 1.00 0.00 C ATOM 1522 CE2 TYR B 689 2.727 10.096 -31.733 1.00 0.00 C ATOM 1523 CZ TYR B 689 1.456 10.063 -32.352 1.00 0.00 C ATOM 1524 OH TYR B 689 1.091 11.072 -33.196 1.00 0.00 O ATOM 0 H TYR B 689 1.408 7.721 -27.782 1.00 0.00 H new ATOM 0 HA TYR B 689 0.950 5.621 -29.744 1.00 0.00 H new ATOM 0 HB2 TYR B 689 3.392 7.260 -28.964 1.00 0.00 H new ATOM 0 HB3 TYR B 689 3.311 6.152 -30.319 1.00 0.00 H new ATOM 0 HD1 TYR B 689 0.303 7.139 -31.013 1.00 0.00 H new ATOM 0 HD2 TYR B 689 4.096 9.081 -30.408 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -0.401 8.960 -32.543 1.00 0.00 H new ATOM 0 HE2 TYR B 689 3.396 10.923 -31.921 1.00 0.00 H new ATOM 0 HH TYR B 689 1.820 11.724 -33.260 1.00 0.00 H new ATOM 1534 N GLU B 690 2.279 5.025 -26.886 1.00 0.00 N ATOM 1535 CA GLU B 690 3.014 4.112 -26.018 1.00 0.00 C ATOM 1536 C GLU B 690 2.091 3.137 -25.284 1.00 0.00 C ATOM 1537 O GLU B 690 2.486 1.990 -25.044 1.00 0.00 O ATOM 1538 CB GLU B 690 3.860 4.979 -25.062 1.00 0.00 C ATOM 1539 CG GLU B 690 4.038 4.433 -23.647 1.00 0.00 C ATOM 1540 CD GLU B 690 4.800 5.429 -22.766 1.00 0.00 C ATOM 1541 OE1 GLU B 690 4.154 6.344 -22.203 1.00 0.00 O ATOM 1542 OE2 GLU B 690 6.034 5.301 -22.595 1.00 0.00 O ATOM 0 H GLU B 690 1.806 5.776 -26.383 1.00 0.00 H new ATOM 0 HA GLU B 690 3.667 3.468 -26.607 1.00 0.00 H new ATOM 0 HB2 GLU B 690 4.847 5.116 -25.504 1.00 0.00 H new ATOM 0 HB3 GLU B 690 3.401 5.965 -24.995 1.00 0.00 H new ATOM 0 HG2 GLU B 690 3.062 4.226 -23.208 1.00 0.00 H new ATOM 0 HG3 GLU B 690 4.578 3.487 -23.684 1.00 0.00 H new ATOM 1549 N LEU B 691 0.872 3.561 -24.934 1.00 0.00 N ATOM 1550 CA LEU B 691 -0.152 2.663 -24.409 1.00 0.00 C ATOM 1551 C LEU B 691 -0.528 1.633 -25.476 1.00 0.00 C ATOM 1552 O LEU B 691 -0.131 1.750 -26.638 1.00 0.00 O ATOM 1553 CB LEU B 691 -1.341 3.460 -23.815 1.00 0.00 C ATOM 1554 CG LEU B 691 -2.576 3.818 -24.668 1.00 0.00 C ATOM 1555 CD1 LEU B 691 -3.389 4.879 -23.910 1.00 0.00 C ATOM 1556 CD2 LEU B 691 -2.262 4.327 -26.062 1.00 0.00 C ATOM 0 H LEU B 691 0.572 4.533 -25.008 1.00 0.00 H new ATOM 0 HA LEU B 691 0.238 2.092 -23.566 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -1.702 2.896 -22.955 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -0.936 4.398 -23.435 1.00 0.00 H new ATOM 0 HG LEU B 691 -3.133 2.893 -24.816 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -4.269 5.149 -24.494 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -3.702 4.477 -22.946 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -2.773 5.764 -23.751 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -3.191 4.552 -26.585 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -1.657 5.231 -25.992 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -1.712 3.564 -26.612 1.00 0.00 H new ATOM 1568 N ALA B 692 -1.292 0.619 -25.060 1.00 0.00 N ATOM 1569 CA ALA B 692 -1.695 -0.479 -25.930 1.00 0.00 C ATOM 1570 C ALA B 692 -2.280 0.067 -27.232 1.00 0.00 C ATOM 1571 O ALA B 692 -3.157 0.934 -27.204 1.00 0.00 O ATOM 1572 CB ALA B 692 -2.706 -1.354 -25.188 1.00 0.00 C ATOM 0 H ALA B 692 -1.647 0.540 -24.107 1.00 0.00 H new ATOM 0 HA ALA B 692 -0.828 -1.087 -26.190 1.00 0.00 H new ATOM 0 HB1 ALA B 692 -3.014 -2.179 -25.831 1.00 0.00 H new ATOM 0 HB2 ALA B 692 -2.248 -1.751 -24.282 1.00 0.00 H new ATOM 0 HB3 ALA B 692 -3.578 -0.757 -24.922 1.00 0.00 H new ATOM 1578 N GLU B 693 -1.821 -0.456 -28.366 1.00 0.00 N ATOM 1579 CA GLU B 693 -2.267 0.024 -29.670 1.00 0.00 C ATOM 1580 C GLU B 693 -3.765 -0.139 -29.795 1.00 0.00 C ATOM 1581 O GLU B 693 -4.440 0.774 -30.254 1.00 0.00 O ATOM 1582 CB GLU B 693 -1.592 -0.765 -30.793 1.00 0.00 C ATOM 1583 CG GLU B 693 -0.189 -0.198 -31.051 1.00 0.00 C ATOM 1584 CD GLU B 693 0.570 -1.034 -32.100 1.00 0.00 C ATOM 1585 OE1 GLU B 693 0.476 -0.730 -33.315 1.00 0.00 O ATOM 1586 OE2 GLU B 693 1.278 -1.994 -31.711 1.00 0.00 O ATOM 0 H GLU B 693 -1.139 -1.214 -28.408 1.00 0.00 H new ATOM 0 HA GLU B 693 -1.998 1.077 -29.755 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -1.525 -1.818 -30.521 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -2.191 -0.708 -31.702 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -0.269 0.834 -31.394 1.00 0.00 H new ATOM 0 HG3 GLU B 693 0.376 -0.181 -30.119 1.00 0.00 H new ATOM 1593 N ALA B 694 -4.308 -1.263 -29.333 1.00 0.00 N ATOM 1594 CA ALA B 694 -5.730 -1.500 -29.472 1.00 0.00 C ATOM 1595 C ALA B 694 -6.530 -0.416 -28.732 1.00 0.00 C ATOM 1596 O ALA B 694 -7.540 0.071 -29.238 1.00 0.00 O ATOM 1597 CB ALA B 694 -6.051 -2.897 -28.943 1.00 0.00 C ATOM 0 H ALA B 694 -3.790 -2.008 -28.868 1.00 0.00 H new ATOM 0 HA ALA B 694 -6.016 -1.448 -30.523 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -7.120 -3.087 -29.042 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -5.496 -3.640 -29.516 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -5.767 -2.962 -27.893 1.00 0.00 H new ATOM 1603 N VAL B 695 -6.036 0.019 -27.564 1.00 0.00 N ATOM 1604 CA VAL B 695 -6.620 1.119 -26.797 1.00 0.00 C ATOM 1605 C VAL B 695 -6.496 2.418 -27.587 1.00 0.00 C ATOM 1606 O VAL B 695 -7.475 3.147 -27.665 1.00 0.00 O ATOM 1607 CB VAL B 695 -5.954 1.183 -25.402 1.00 0.00 C ATOM 1608 CG1 VAL B 695 -6.064 2.541 -24.698 1.00 0.00 C ATOM 1609 CG2 VAL B 695 -6.570 0.125 -24.481 1.00 0.00 C ATOM 0 H VAL B 695 -5.211 -0.390 -27.124 1.00 0.00 H new ATOM 0 HA VAL B 695 -7.685 0.954 -26.633 1.00 0.00 H new ATOM 0 HB VAL B 695 -4.895 1.003 -25.588 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -5.569 2.489 -23.728 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -5.587 3.307 -25.309 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -7.115 2.793 -24.556 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -6.096 0.176 -23.501 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -7.639 0.311 -24.378 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -6.413 -0.865 -24.909 1.00 0.00 H new ATOM 1619 N GLN B 696 -5.339 2.710 -28.189 1.00 0.00 N ATOM 1620 CA GLN B 696 -5.158 3.885 -29.032 1.00 0.00 C ATOM 1621 C GLN B 696 -6.178 3.872 -30.166 1.00 0.00 C ATOM 1622 O GLN B 696 -6.829 4.883 -30.384 1.00 0.00 O ATOM 1623 CB GLN B 696 -3.714 3.901 -29.542 1.00 0.00 C ATOM 1624 CG GLN B 696 -3.375 4.901 -30.653 1.00 0.00 C ATOM 1625 CD GLN B 696 -2.102 4.453 -31.366 1.00 0.00 C ATOM 1626 OE1 GLN B 696 -2.109 4.172 -32.563 1.00 0.00 O ATOM 1627 NE2 GLN B 696 -1.005 4.301 -30.639 1.00 0.00 N ATOM 0 H GLN B 696 -4.502 2.133 -28.102 1.00 0.00 H new ATOM 0 HA GLN B 696 -5.329 4.800 -28.465 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -3.059 4.102 -28.695 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -3.472 2.901 -29.902 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -4.199 4.966 -31.363 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -3.238 5.897 -30.232 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -1.014 4.538 -29.647 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -0.152 3.947 -31.071 1.00 0.00 H new ATOM 1636 N LYS B 697 -6.369 2.756 -30.876 1.00 0.00 N ATOM 1637 CA LYS B 697 -7.319 2.687 -31.991 1.00 0.00 C ATOM 1638 C LYS B 697 -8.740 2.926 -31.492 1.00 0.00 C ATOM 1639 O LYS B 697 -9.457 3.744 -32.068 1.00 0.00 O ATOM 1640 CB LYS B 697 -7.227 1.320 -32.701 1.00 0.00 C ATOM 1641 CG LYS B 697 -5.855 1.008 -33.314 1.00 0.00 C ATOM 1642 CD LYS B 697 -5.328 2.033 -34.333 1.00 0.00 C ATOM 1643 CE LYS B 697 -6.243 2.271 -35.551 1.00 0.00 C ATOM 1644 NZ LYS B 697 -6.327 1.090 -36.455 1.00 0.00 N ATOM 0 H LYS B 697 -5.874 1.882 -30.697 1.00 0.00 H new ATOM 0 HA LYS B 697 -7.062 3.467 -32.708 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -7.477 0.537 -31.986 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -7.979 1.284 -33.489 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -5.129 0.921 -32.506 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -5.909 0.034 -33.801 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -5.173 2.984 -33.823 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -4.353 1.700 -34.689 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -7.244 2.527 -35.202 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -5.873 3.128 -36.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -6.955 1.309 -37.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -5.378 0.859 -36.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -6.706 0.277 -35.929 1.00 0.00 H new ATOM 1658 N GLU B 698 -9.139 2.240 -30.419 1.00 0.00 N ATOM 1659 CA GLU B 698 -10.485 2.375 -29.862 1.00 0.00 C ATOM 1660 C GLU B 698 -10.733 3.811 -29.382 1.00 0.00 C ATOM 1661 O GLU B 698 -11.798 4.371 -29.646 1.00 0.00 O ATOM 1662 CB GLU B 698 -10.702 1.377 -28.714 1.00 0.00 C ATOM 1663 CG GLU B 698 -10.953 -0.051 -29.220 1.00 0.00 C ATOM 1664 CD GLU B 698 -11.212 -1.021 -28.053 1.00 0.00 C ATOM 1665 OE1 GLU B 698 -12.361 -1.068 -27.546 1.00 0.00 O ATOM 1666 OE2 GLU B 698 -10.284 -1.767 -27.652 1.00 0.00 O ATOM 0 H GLU B 698 -8.544 1.581 -29.916 1.00 0.00 H new ATOM 0 HA GLU B 698 -11.202 2.149 -30.651 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -9.828 1.381 -28.063 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -11.550 1.700 -28.111 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -11.809 -0.055 -29.895 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -10.092 -0.392 -29.795 1.00 0.00 H new ATOM 1673 N LEU B 699 -9.747 4.426 -28.722 1.00 0.00 N ATOM 1674 CA LEU B 699 -9.836 5.798 -28.236 1.00 0.00 C ATOM 1675 C LEU B 699 -9.896 6.754 -29.400 1.00 0.00 C ATOM 1676 O LEU B 699 -10.750 7.614 -29.410 1.00 0.00 O ATOM 1677 CB LEU B 699 -8.612 6.162 -27.387 1.00 0.00 C ATOM 1678 CG LEU B 699 -8.747 5.703 -25.938 1.00 0.00 C ATOM 1679 CD1 LEU B 699 -7.361 5.635 -25.287 1.00 0.00 C ATOM 1680 CD2 LEU B 699 -9.640 6.668 -25.136 1.00 0.00 C ATOM 0 H LEU B 699 -8.856 3.976 -28.510 1.00 0.00 H new ATOM 0 HA LEU B 699 -10.738 5.874 -27.629 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -7.722 5.711 -27.826 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -8.466 7.242 -27.410 1.00 0.00 H new ATOM 0 HG LEU B 699 -9.209 4.716 -25.933 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -7.461 5.307 -24.252 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -6.737 4.928 -25.833 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -6.899 6.622 -25.312 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -9.720 6.319 -24.107 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -9.200 7.665 -25.148 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -10.632 6.704 -25.585 1.00 0.00 H new ATOM 1692 N LEU B 700 -9.015 6.607 -30.382 1.00 0.00 N ATOM 1693 CA LEU B 700 -8.935 7.494 -31.525 1.00 0.00 C ATOM 1694 C LEU B 700 -10.258 7.500 -32.278 1.00 0.00 C ATOM 1695 O LEU B 700 -10.744 8.565 -32.648 1.00 0.00 O ATOM 1696 CB LEU B 700 -7.784 7.013 -32.413 1.00 0.00 C ATOM 1697 CG LEU B 700 -7.571 7.837 -33.691 1.00 0.00 C ATOM 1698 CD1 LEU B 700 -7.315 9.315 -33.376 1.00 0.00 C ATOM 1699 CD2 LEU B 700 -6.370 7.252 -34.439 1.00 0.00 C ATOM 0 H LEU B 700 -8.327 5.854 -30.402 1.00 0.00 H new ATOM 0 HA LEU B 700 -8.743 8.519 -31.207 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -6.863 7.028 -31.830 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -7.968 5.976 -32.692 1.00 0.00 H new ATOM 0 HG LEU B 700 -8.473 7.786 -34.301 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -7.169 9.865 -34.306 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -8.171 9.727 -32.841 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -6.423 9.406 -32.757 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -6.198 7.821 -35.352 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -5.485 7.307 -33.805 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -6.571 6.211 -34.693 1.00 0.00 H new ATOM 1711 N ALA B 701 -10.865 6.326 -32.447 1.00 0.00 N ATOM 1712 CA ALA B 701 -12.200 6.221 -32.999 1.00 0.00 C ATOM 1713 C ALA B 701 -13.180 7.024 -32.138 1.00 0.00 C ATOM 1714 O ALA B 701 -13.921 7.829 -32.693 1.00 0.00 O ATOM 1715 CB ALA B 701 -12.606 4.749 -33.120 1.00 0.00 C ATOM 0 H ALA B 701 -10.442 5.430 -32.204 1.00 0.00 H new ATOM 0 HA ALA B 701 -12.220 6.644 -34.003 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -13.611 4.682 -33.536 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -11.906 4.231 -33.776 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -12.590 4.285 -32.134 1.00 0.00 H new ATOM 1721 N GLU B 702 -13.140 6.884 -30.806 1.00 0.00 N ATOM 1722 CA GLU B 702 -13.955 7.649 -29.862 1.00 0.00 C ATOM 1723 C GLU B 702 -13.776 9.155 -30.091 1.00 0.00 C ATOM 1724 O GLU B 702 -14.736 9.889 -30.325 1.00 0.00 O ATOM 1725 CB GLU B 702 -13.594 7.271 -28.409 1.00 0.00 C ATOM 1726 CG GLU B 702 -14.793 7.169 -27.460 1.00 0.00 C ATOM 1727 CD GLU B 702 -15.648 5.918 -27.712 1.00 0.00 C ATOM 1728 OE1 GLU B 702 -16.557 5.971 -28.575 1.00 0.00 O ATOM 1729 OE2 GLU B 702 -15.426 4.895 -27.016 1.00 0.00 O ATOM 0 H GLU B 702 -12.521 6.216 -30.346 1.00 0.00 H new ATOM 0 HA GLU B 702 -15.003 7.402 -30.031 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -13.070 6.315 -28.416 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -12.899 8.013 -28.016 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -14.435 7.158 -26.430 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -15.415 8.057 -27.571 1.00 0.00 H new ATOM 1736 N TRP B 703 -12.532 9.622 -30.071 1.00 0.00 N ATOM 1737 CA TRP B 703 -12.141 11.014 -30.160 1.00 0.00 C ATOM 1738 C TRP B 703 -12.566 11.623 -31.513 1.00 0.00 C ATOM 1739 O TRP B 703 -12.867 12.812 -31.596 1.00 0.00 O ATOM 1740 CB TRP B 703 -10.618 11.066 -29.928 1.00 0.00 C ATOM 1741 CG TRP B 703 -10.031 10.440 -28.680 1.00 0.00 C ATOM 1742 CD1 TRP B 703 -10.668 9.907 -27.608 1.00 0.00 C ATOM 1743 CD2 TRP B 703 -8.629 10.400 -28.296 1.00 0.00 C ATOM 1744 NE1 TRP B 703 -9.778 9.563 -26.613 1.00 0.00 N ATOM 1745 CE2 TRP B 703 -8.512 9.929 -26.959 1.00 0.00 C ATOM 1746 CE3 TRP B 703 -7.453 10.828 -28.921 1.00 0.00 C ATOM 1747 CZ2 TRP B 703 -7.339 10.005 -26.219 1.00 0.00 C ATOM 1748 CZ3 TRP B 703 -6.250 10.917 -28.191 1.00 0.00 C ATOM 1749 CH2 TRP B 703 -6.206 10.562 -26.826 1.00 0.00 C ATOM 0 H TRP B 703 -11.728 8.999 -29.987 1.00 0.00 H new ATOM 0 HA TRP B 703 -12.644 11.619 -29.405 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -10.141 10.593 -30.786 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -10.322 12.115 -29.937 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -11.737 9.769 -27.542 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -10.032 9.100 -25.740 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -7.467 11.092 -29.968 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -7.301 9.644 -25.202 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -5.352 11.261 -28.682 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -5.304 10.719 -26.253 1.00 0.00 H new ATOM 1760 N LYS B 704 -12.654 10.801 -32.563 1.00 0.00 N ATOM 1761 CA LYS B 704 -13.151 11.202 -33.880 1.00 0.00 C ATOM 1762 C LYS B 704 -14.676 11.182 -33.960 1.00 0.00 C ATOM 1763 O LYS B 704 -15.236 11.974 -34.716 1.00 0.00 O ATOM 1764 CB LYS B 704 -12.611 10.267 -34.974 1.00 0.00 C ATOM 1765 CG LYS B 704 -11.142 10.518 -35.348 1.00 0.00 C ATOM 1766 CD LYS B 704 -10.736 9.590 -36.502 1.00 0.00 C ATOM 1767 CE LYS B 704 -9.317 9.910 -36.995 1.00 0.00 C ATOM 1768 NZ LYS B 704 -8.939 9.101 -38.186 1.00 0.00 N ATOM 0 H LYS B 704 -12.376 9.820 -32.519 1.00 0.00 H new ATOM 0 HA LYS B 704 -12.800 12.222 -34.035 1.00 0.00 H new ATOM 0 HB2 LYS B 704 -12.718 9.235 -34.640 1.00 0.00 H new ATOM 0 HB3 LYS B 704 -13.226 10.378 -35.867 1.00 0.00 H new ATOM 0 HG2 LYS B 704 -11.004 11.559 -35.640 1.00 0.00 H new ATOM 0 HG3 LYS B 704 -10.501 10.341 -34.484 1.00 0.00 H new ATOM 0 HD2 LYS B 704 -10.785 8.552 -36.173 1.00 0.00 H new ATOM 0 HD3 LYS B 704 -11.443 9.697 -37.325 1.00 0.00 H new ATOM 0 HE2 LYS B 704 -9.250 10.970 -37.242 1.00 0.00 H new ATOM 0 HE3 LYS B 704 -8.605 9.725 -36.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 704 -7.974 9.351 -38.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 704 -8.976 8.090 -37.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 704 -9.602 9.296 -38.963 1.00 0.00 H new ATOM 1782 N ARG B 705 -15.371 10.299 -33.229 1.00 0.00 N ATOM 1783 CA ARG B 705 -16.838 10.179 -33.376 1.00 0.00 C ATOM 1784 C ARG B 705 -17.544 11.258 -32.574 1.00 0.00 C ATOM 1785 O ARG B 705 -18.620 11.718 -32.957 1.00 0.00 O ATOM 1786 CB ARG B 705 -17.388 8.754 -33.131 1.00 0.00 C ATOM 1787 CG ARG B 705 -17.064 8.049 -31.806 1.00 0.00 C ATOM 1788 CD ARG B 705 -17.776 8.525 -30.539 1.00 0.00 C ATOM 1789 NE ARG B 705 -19.225 8.241 -30.569 1.00 0.00 N ATOM 1790 CZ ARG B 705 -19.828 7.123 -30.134 1.00 0.00 C ATOM 1791 NH1 ARG B 705 -19.145 6.146 -29.538 1.00 0.00 N ATOM 1792 NH2 ARG B 705 -21.139 6.983 -30.307 1.00 0.00 N ATOM 0 H ARG B 705 -14.957 9.668 -32.543 1.00 0.00 H new ATOM 0 HA ARG B 705 -17.067 10.352 -34.427 1.00 0.00 H new ATOM 0 HB2 ARG B 705 -18.473 8.800 -33.223 1.00 0.00 H new ATOM 0 HB3 ARG B 705 -17.026 8.118 -33.939 1.00 0.00 H new ATOM 0 HG2 ARG B 705 -17.282 6.988 -31.932 1.00 0.00 H new ATOM 0 HG3 ARG B 705 -15.991 8.136 -31.637 1.00 0.00 H new ATOM 0 HD2 ARG B 705 -17.331 8.039 -29.671 1.00 0.00 H new ATOM 0 HD3 ARG B 705 -17.621 9.597 -30.419 1.00 0.00 H new ATOM 0 HE ARG B 705 -19.827 8.966 -30.959 1.00 0.00 H new ATOM 0 HH11 ARG B 705 -18.138 6.237 -29.402 1.00 0.00 H new ATOM 0 HH12 ARG B 705 -19.629 5.307 -29.217 1.00 0.00 H new ATOM 0 HH21 ARG B 705 -21.674 7.720 -30.766 1.00 0.00 H new ATOM 0 HH22 ARG B 705 -21.609 6.138 -29.981 1.00 0.00 H new ATOM 1806 N THR B 706 -16.917 11.675 -31.478 1.00 0.00 N ATOM 1807 CA THR B 706 -17.323 12.841 -30.719 1.00 0.00 C ATOM 1808 C THR B 706 -17.085 14.075 -31.596 1.00 0.00 C ATOM 1809 O THR B 706 -17.910 14.987 -31.638 1.00 0.00 O ATOM 1810 CB THR B 706 -16.511 12.883 -29.425 1.00 0.00 C ATOM 1811 OG1 THR B 706 -15.145 12.754 -29.748 1.00 0.00 O ATOM 1812 CG2 THR B 706 -16.855 11.715 -28.512 1.00 0.00 C ATOM 0 H THR B 706 -16.101 11.201 -31.091 1.00 0.00 H new ATOM 0 HA THR B 706 -18.378 12.810 -30.447 1.00 0.00 H new ATOM 0 HB THR B 706 -16.735 13.823 -28.920 1.00 0.00 H new ATOM 0 HG1 THR B 706 -14.912 11.804 -29.809 1.00 0.00 H new ATOM 0 HG21 THR B 706 -16.259 11.777 -27.602 1.00 0.00 H new ATOM 0 HG22 THR B 706 -17.914 11.753 -28.256 1.00 0.00 H new ATOM 0 HG23 THR B 706 -16.639 10.777 -29.024 1.00 0.00 H new ATOM 1820 N GLY B 707 -15.974 14.062 -32.343 1.00 0.00 N ATOM 1821 CA GLY B 707 -15.665 15.025 -33.394 1.00 0.00 C ATOM 1822 C GLY B 707 -14.816 16.187 -32.883 1.00 0.00 C ATOM 1823 O GLY B 707 -14.130 16.854 -33.662 1.00 0.00 O ATOM 0 H GLY B 707 -15.246 13.357 -32.225 1.00 0.00 H new ATOM 0 HA2 GLY B 707 -15.137 14.520 -34.203 1.00 0.00 H new ATOM 0 HA3 GLY B 707 -16.594 15.413 -33.813 1.00 0.00 H new ATOM 1827 N SER B 708 -14.820 16.384 -31.568 1.00 0.00 N ATOM 1828 CA SER B 708 -14.066 17.391 -30.847 1.00 0.00 C ATOM 1829 C SER B 708 -13.412 16.773 -29.603 1.00 0.00 C ATOM 1830 O SER B 708 -12.952 17.507 -28.731 1.00 0.00 O ATOM 1831 CB SER B 708 -15.033 18.531 -30.488 1.00 0.00 C ATOM 1832 OG SER B 708 -16.173 18.013 -29.807 1.00 0.00 O ATOM 0 H SER B 708 -15.385 15.808 -30.945 1.00 0.00 H new ATOM 0 HA SER B 708 -13.257 17.789 -31.459 1.00 0.00 H new ATOM 0 HB2 SER B 708 -14.526 19.263 -29.859 1.00 0.00 H new ATOM 0 HB3 SER B 708 -15.346 19.051 -31.393 1.00 0.00 H new ATOM 0 HG SER B 708 -16.781 18.748 -29.582 1.00 0.00 H new ATOM 1838 N ASP B 709 -13.412 15.428 -29.497 1.00 0.00 N ATOM 1839 CA ASP B 709 -13.037 14.646 -28.313 1.00 0.00 C ATOM 1840 C ASP B 709 -13.782 15.026 -27.014 1.00 0.00 C ATOM 1841 O ASP B 709 -13.464 14.526 -25.934 1.00 0.00 O ATOM 1842 CB ASP B 709 -11.512 14.584 -28.139 1.00 0.00 C ATOM 1843 CG ASP B 709 -10.812 15.807 -27.492 1.00 0.00 C ATOM 1844 OD1 ASP B 709 -11.234 16.344 -26.433 1.00 0.00 O ATOM 1845 OD2 ASP B 709 -9.753 16.199 -28.041 1.00 0.00 O ATOM 0 H ASP B 709 -13.689 14.833 -30.278 1.00 0.00 H new ATOM 0 HA ASP B 709 -13.387 13.634 -28.515 1.00 0.00 H new ATOM 0 HB2 ASP B 709 -11.278 13.706 -27.537 1.00 0.00 H new ATOM 0 HB3 ASP B 709 -11.068 14.424 -29.122 1.00 0.00 H new ATOM 1850 N PHE B 710 -14.848 15.826 -27.139 1.00 0.00 N ATOM 1851 CA PHE B 710 -15.598 16.517 -26.106 1.00 0.00 C ATOM 1852 C PHE B 710 -14.716 17.502 -25.323 1.00 0.00 C ATOM 1853 O PHE B 710 -14.905 18.713 -25.467 1.00 0.00 O ATOM 1854 CB PHE B 710 -16.336 15.537 -25.185 1.00 0.00 C ATOM 1855 CG PHE B 710 -17.444 14.691 -25.790 1.00 0.00 C ATOM 1856 CD1 PHE B 710 -18.417 15.259 -26.635 1.00 0.00 C ATOM 1857 CD2 PHE B 710 -17.534 13.329 -25.441 1.00 0.00 C ATOM 1858 CE1 PHE B 710 -19.463 14.467 -27.139 1.00 0.00 C ATOM 1859 CE2 PHE B 710 -18.589 12.541 -25.934 1.00 0.00 C ATOM 1860 CZ PHE B 710 -19.550 13.110 -26.781 1.00 0.00 C ATOM 0 H PHE B 710 -15.238 16.018 -28.062 1.00 0.00 H new ATOM 0 HA PHE B 710 -16.363 17.112 -26.606 1.00 0.00 H new ATOM 0 HB2 PHE B 710 -15.597 14.862 -24.754 1.00 0.00 H new ATOM 0 HB3 PHE B 710 -16.764 16.109 -24.362 1.00 0.00 H new ATOM 0 HD1 PHE B 710 -18.359 16.305 -26.896 1.00 0.00 H new ATOM 0 HD2 PHE B 710 -16.791 12.889 -24.793 1.00 0.00 H new ATOM 0 HE1 PHE B 710 -20.199 14.900 -27.800 1.00 0.00 H new ATOM 0 HE2 PHE B 710 -18.659 11.499 -25.660 1.00 0.00 H new ATOM 0 HZ PHE B 710 -20.360 12.504 -27.160 1.00 0.00 H new