USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 37 ASN : amide:sc= -2.74! C(o=-3!,f=-7.6!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 159:sc= -0.218 (180deg=-0.892) USER MOD Set 2.1: A 17 GLN : amide:sc= -4.48! K(o=-8.2!,f=-11) USER MOD Set 2.2: A 32 ASN : amide:sc= 0.0687! C(o=-8.2!,f=-32!) USER MOD Set 2.3: A 36 LYS NZ :NH3+ -170:sc= -3.79! (180deg=-5.27!) USER MOD Set 3.1: A 16 SER OG : rot -128:sc= 0.898 USER MOD Set 3.2: A 18 SER OG : rot 122:sc= 2.1 USER MOD Set 4.1: A 13 LYS NZ :NH3+ -117:sc= 1.02 (180deg=0.38) USER MOD Set 4.2: A 55 THR OG1 : rot 84:sc= -0.0457! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.0749 (180deg=-0.135) USER MOD Single : A 4 ASN : amide:sc= -2.23 K(o=-2.2,f=-3.2) USER MOD Single : A 5 ASN : amide:sc= -3.29! K(o=-3.3!,f=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= 0.546 (180deg=0.441!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -118:sc= 0.649 (180deg=-2.16!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0389 USER MOD Single : A 29 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.2!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -3.05 K(o=-3,f=-14!) USER MOD Single : A 42 SER OG : rot -130:sc= -2.07! USER MOD Single : A 44 GLN : amide:sc= 0.236 K(o=0.24,f=-7.6!) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.0079 (180deg=-0.355) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.0671 X(o=0.067,f=-0.0028) USER MOD Single : A 62 GLN : amide:sc= 0.374 K(o=0.37,f=-0.92) USER MOD Single : A 64 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.138 15.155 3.031 1.00 0.00 N ATOM 2 CA MET A 1 6.024 14.866 1.905 1.00 0.00 C ATOM 3 C MET A 1 6.615 13.465 2.001 1.00 0.00 C ATOM 4 O MET A 1 7.551 13.131 1.266 1.00 0.00 O ATOM 5 CB MET A 1 7.148 15.908 1.816 1.00 0.00 C ATOM 6 CG MET A 1 6.684 17.093 0.968 1.00 0.00 C ATOM 7 SD MET A 1 6.579 16.580 -0.767 1.00 0.00 S ATOM 8 CE MET A 1 5.069 17.489 -1.188 1.00 0.00 C ATOM 0 H1 MET A 1 4.794 16.134 2.960 1.00 0.00 H new ATOM 0 H2 MET A 1 4.329 14.502 3.013 1.00 0.00 H new ATOM 0 H3 MET A 1 5.660 15.035 3.923 1.00 0.00 H new ATOM 0 HA MET A 1 5.423 14.916 0.997 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.422 16.248 2.815 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.039 15.460 1.376 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.713 17.445 1.315 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.381 17.925 1.072 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.817 17.311 -2.233 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.250 17.148 -0.554 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.230 18.555 -1.030 1.00 0.00 H new ATOM 18 N ILE A 2 6.053 12.637 2.869 1.00 0.00 N ATOM 19 CA ILE A 2 6.531 11.273 3.006 1.00 0.00 C ATOM 20 C ILE A 2 6.029 10.426 1.847 1.00 0.00 C ATOM 21 O ILE A 2 4.839 10.444 1.523 1.00 0.00 O ATOM 22 CB ILE A 2 6.104 10.667 4.359 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.575 10.691 4.502 1.00 0.00 C ATOM 24 CG2 ILE A 2 6.729 11.458 5.507 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.174 9.951 5.780 1.00 0.00 C ATOM 0 H ILE A 2 5.275 12.883 3.481 1.00 0.00 H new ATOM 0 HA ILE A 2 7.621 11.285 2.982 1.00 0.00 H new ATOM 0 HB ILE A 2 6.449 9.634 4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.218 11.720 4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.110 10.221 3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.422 11.023 6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.815 11.421 5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.396 12.495 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.089 9.966 5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.519 8.918 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.628 10.440 6.642 1.00 0.00 H new ATOM 37 N ILE A 3 6.936 9.724 1.196 1.00 0.00 N ATOM 38 CA ILE A 3 6.579 8.937 0.029 1.00 0.00 C ATOM 39 C ILE A 3 6.044 7.566 0.446 1.00 0.00 C ATOM 40 O ILE A 3 6.364 6.546 -0.167 1.00 0.00 O ATOM 41 CB ILE A 3 7.794 8.799 -0.914 1.00 0.00 C ATOM 42 CG1 ILE A 3 8.377 10.194 -1.204 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.364 8.154 -2.241 1.00 0.00 C ATOM 44 CD1 ILE A 3 7.315 11.074 -1.874 1.00 0.00 C ATOM 0 H ILE A 3 7.922 9.682 1.453 1.00 0.00 H new ATOM 0 HA ILE A 3 5.786 9.453 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 3 8.544 8.171 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.713 10.657 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 3 9.250 10.106 -1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.229 8.062 -2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.949 7.165 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.609 8.777 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.734 12.060 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.000 10.614 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.455 11.174 -1.212 1.00 0.00 H new ATOM 56 N ASN A 4 5.132 7.557 1.405 1.00 0.00 N ATOM 57 CA ASN A 4 4.491 6.309 1.813 1.00 0.00 C ATOM 58 C ASN A 4 3.488 5.883 0.757 1.00 0.00 C ATOM 59 O ASN A 4 2.326 5.596 1.054 1.00 0.00 O ATOM 60 CB ASN A 4 3.786 6.472 3.170 1.00 0.00 C ATOM 61 CG ASN A 4 3.188 5.134 3.618 1.00 0.00 C ATOM 62 OD1 ASN A 4 3.590 4.075 3.125 1.00 0.00 O ATOM 63 ND2 ASN A 4 2.252 5.113 4.522 1.00 0.00 N ATOM 0 H ASN A 4 4.820 8.385 1.912 1.00 0.00 H new ATOM 0 HA ASN A 4 5.259 5.543 1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.495 6.830 3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 4 2.999 7.223 3.092 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.852 4.224 4.822 1.00 0.00 H new ATOM 0 HD22 ASN A 4 1.918 5.986 4.931 1.00 0.00 H new ATOM 70 N ASN A 5 3.931 5.844 -0.490 1.00 0.00 N ATOM 71 CA ASN A 5 3.042 5.475 -1.574 1.00 0.00 C ATOM 72 C ASN A 5 2.939 3.969 -1.722 1.00 0.00 C ATOM 73 O ASN A 5 3.096 3.419 -2.818 1.00 0.00 O ATOM 74 CB ASN A 5 3.410 6.164 -2.902 1.00 0.00 C ATOM 75 CG ASN A 5 4.824 5.821 -3.369 1.00 0.00 C ATOM 76 OD1 ASN A 5 5.456 6.629 -4.056 1.00 0.00 O ATOM 77 ND2 ASN A 5 5.355 4.681 -3.072 1.00 0.00 N ATOM 0 H ASN A 5 4.887 6.060 -0.772 1.00 0.00 H new ATOM 0 HA ASN A 5 2.051 5.843 -1.306 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.696 5.869 -3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.322 7.244 -2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.292 4.453 -3.405 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.837 4.010 -2.505 1.00 0.00 H new ATOM 84 N LEU A 6 2.561 3.318 -0.636 1.00 0.00 N ATOM 85 CA LEU A 6 2.323 1.880 -0.637 1.00 0.00 C ATOM 86 C LEU A 6 1.225 1.597 -1.646 1.00 0.00 C ATOM 87 O LEU A 6 1.310 0.669 -2.452 1.00 0.00 O ATOM 88 CB LEU A 6 1.897 1.426 0.778 1.00 0.00 C ATOM 89 CG LEU A 6 1.672 -0.103 0.845 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.328 -0.481 0.213 1.00 0.00 C ATOM 91 CD2 LEU A 6 2.807 -0.851 0.133 1.00 0.00 C ATOM 0 H LEU A 6 2.410 3.766 0.268 1.00 0.00 H new ATOM 0 HA LEU A 6 3.226 1.333 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.663 1.713 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.981 1.942 1.065 1.00 0.00 H new ATOM 0 HG LEU A 6 1.663 -0.393 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.190 -1.561 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.479 0.017 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.316 -0.169 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.629 -1.925 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.843 -0.546 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.756 -0.614 0.613 1.00 0.00 H new ATOM 103 N LYS A 7 0.260 2.494 -1.667 1.00 0.00 N ATOM 104 CA LYS A 7 -0.825 2.454 -2.621 1.00 0.00 C ATOM 105 C LYS A 7 -0.289 2.414 -4.057 1.00 0.00 C ATOM 106 O LYS A 7 -0.700 1.564 -4.846 1.00 0.00 O ATOM 107 CB LYS A 7 -1.703 3.707 -2.382 1.00 0.00 C ATOM 108 CG LYS A 7 -2.397 4.188 -3.669 1.00 0.00 C ATOM 109 CD LYS A 7 -3.366 5.335 -3.327 1.00 0.00 C ATOM 110 CE LYS A 7 -2.583 6.510 -2.709 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.392 7.744 -2.743 1.00 0.00 N ATOM 0 H LYS A 7 0.208 3.277 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.419 1.550 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.457 3.481 -1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.084 4.511 -1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.654 4.527 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.940 3.364 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.886 5.665 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.127 4.985 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.313 6.273 -1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.653 6.663 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.768 8.571 -2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.906 7.797 -3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.073 7.734 -1.957 1.00 0.00 H new ATOM 125 N LEU A 8 0.668 3.274 -4.372 1.00 0.00 N ATOM 126 CA LEU A 8 1.267 3.270 -5.711 1.00 0.00 C ATOM 127 C LEU A 8 2.016 1.967 -5.961 1.00 0.00 C ATOM 128 O LEU A 8 2.005 1.431 -7.067 1.00 0.00 O ATOM 129 CB LEU A 8 2.199 4.466 -5.903 1.00 0.00 C ATOM 130 CG LEU A 8 1.381 5.767 -5.843 1.00 0.00 C ATOM 131 CD1 LEU A 8 2.306 6.975 -6.009 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.322 5.780 -6.953 1.00 0.00 C ATOM 0 H LEU A 8 1.046 3.975 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 8 0.459 3.352 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.967 4.470 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.713 4.390 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 8 0.885 5.821 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.718 7.892 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.046 6.980 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.814 6.915 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.250 6.706 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.812 5.712 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.350 4.931 -6.825 1.00 0.00 H new ATOM 144 N ILE A 9 2.710 1.502 -4.945 1.00 0.00 N ATOM 145 CA ILE A 9 3.462 0.258 -5.021 1.00 0.00 C ATOM 146 C ILE A 9 2.524 -0.934 -5.194 1.00 0.00 C ATOM 147 O ILE A 9 2.852 -1.913 -5.863 1.00 0.00 O ATOM 148 CB ILE A 9 4.346 0.085 -3.777 1.00 0.00 C ATOM 149 CG1 ILE A 9 5.424 1.176 -3.771 1.00 0.00 C ATOM 150 CG2 ILE A 9 5.024 -1.290 -3.802 1.00 0.00 C ATOM 151 CD1 ILE A 9 6.311 1.057 -5.017 1.00 0.00 C ATOM 0 H ILE A 9 2.772 1.972 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 9 4.111 0.303 -5.896 1.00 0.00 H new ATOM 0 HB ILE A 9 3.727 0.164 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.955 2.160 -3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.034 1.088 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.649 -1.404 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.263 -2.071 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.643 -1.374 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.071 1.838 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.795 0.080 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.698 1.168 -5.912 1.00 0.00 H new ATOM 163 N ARG A 10 1.437 -0.904 -4.456 1.00 0.00 N ATOM 164 CA ARG A 10 0.537 -2.041 -4.343 1.00 0.00 C ATOM 165 C ARG A 10 0.077 -2.523 -5.718 1.00 0.00 C ATOM 166 O ARG A 10 -0.015 -3.732 -5.956 1.00 0.00 O ATOM 167 CB ARG A 10 -0.688 -1.614 -3.536 1.00 0.00 C ATOM 168 CG ARG A 10 -1.615 -2.804 -3.293 1.00 0.00 C ATOM 169 CD ARG A 10 -2.862 -2.302 -2.578 1.00 0.00 C ATOM 170 NE ARG A 10 -3.572 -1.376 -3.460 1.00 0.00 N ATOM 171 CZ ARG A 10 -4.339 -1.801 -4.468 1.00 0.00 C ATOM 172 NH1 ARG A 10 -4.503 -3.080 -4.670 1.00 0.00 N ATOM 173 NH2 ARG A 10 -4.917 -0.942 -5.254 1.00 0.00 N ATOM 0 H ARG A 10 1.147 -0.090 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 10 1.067 -2.857 -3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.372 -1.192 -2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.226 -0.830 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.883 -3.275 -4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.111 -3.561 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.507 -3.139 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.589 -1.803 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.478 -0.373 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.045 -3.756 -4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.089 -3.404 -5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.785 0.058 -5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.502 -1.268 -6.023 1.00 0.00 H new ATOM 187 N GLU A 11 -0.241 -1.594 -6.604 1.00 0.00 N ATOM 188 CA GLU A 11 -0.742 -1.963 -7.927 1.00 0.00 C ATOM 189 C GLU A 11 0.251 -2.878 -8.613 1.00 0.00 C ATOM 190 O GLU A 11 -0.123 -3.791 -9.348 1.00 0.00 O ATOM 191 CB GLU A 11 -0.983 -0.726 -8.812 1.00 0.00 C ATOM 192 CG GLU A 11 -0.918 0.563 -7.992 1.00 0.00 C ATOM 193 CD GLU A 11 -1.757 1.624 -8.658 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.268 2.255 -9.561 1.00 0.00 O ATOM 195 OE2 GLU A 11 -2.895 1.780 -8.267 1.00 0.00 O ATOM 0 H GLU A 11 -0.164 -0.590 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.695 -2.474 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.237 -0.693 -9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.958 -0.805 -9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.279 0.381 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.115 0.901 -7.907 1.00 0.00 H new ATOM 202 N LYS A 12 1.520 -2.639 -8.353 1.00 0.00 N ATOM 203 CA LYS A 12 2.579 -3.431 -8.936 1.00 0.00 C ATOM 204 C LYS A 12 2.443 -4.871 -8.467 1.00 0.00 C ATOM 205 O LYS A 12 2.531 -5.805 -9.263 1.00 0.00 O ATOM 206 CB LYS A 12 3.927 -2.851 -8.523 1.00 0.00 C ATOM 207 CG LYS A 12 4.035 -1.462 -9.148 1.00 0.00 C ATOM 208 CD LYS A 12 5.354 -0.806 -8.781 1.00 0.00 C ATOM 209 CE LYS A 12 5.372 0.580 -9.419 1.00 0.00 C ATOM 210 NZ LYS A 12 6.658 1.265 -9.123 1.00 0.00 N ATOM 0 H LYS A 12 1.843 -1.895 -7.735 1.00 0.00 H new ATOM 0 HA LYS A 12 2.510 -3.410 -10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.003 -2.791 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.741 -3.490 -8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.951 -1.539 -10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.207 -0.840 -8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.456 -0.731 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.192 -1.404 -9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.237 0.494 -10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.540 1.173 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.658 2.208 -9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.770 1.363 -8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.446 0.704 -9.505 1.00 0.00 H new ATOM 224 N LYS A 13 2.091 -5.030 -7.193 1.00 0.00 N ATOM 225 CA LYS A 13 1.804 -6.347 -6.633 1.00 0.00 C ATOM 226 C LYS A 13 0.478 -6.877 -7.170 1.00 0.00 C ATOM 227 O LYS A 13 0.153 -8.053 -6.996 1.00 0.00 O ATOM 228 CB LYS A 13 1.797 -6.306 -5.099 1.00 0.00 C ATOM 229 CG LYS A 13 2.007 -7.729 -4.541 1.00 0.00 C ATOM 230 CD LYS A 13 3.307 -7.782 -3.726 1.00 0.00 C ATOM 231 CE LYS A 13 4.507 -8.046 -4.657 1.00 0.00 C ATOM 232 NZ LYS A 13 5.750 -7.409 -4.122 1.00 0.00 N ATOM 0 H LYS A 13 1.998 -4.261 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 13 2.597 -7.028 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.585 -5.644 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.851 -5.900 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.162 -8.012 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.051 -8.448 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.450 -6.842 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.241 -8.568 -2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.661 -9.120 -4.762 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.293 -7.655 -5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.084 -6.685 -4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.545 -6.965 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.486 -8.133 -3.999 1.00 0.00 H new ATOM 246 N LYS A 14 -0.243 -6.005 -7.870 1.00 0.00 N ATOM 247 CA LYS A 14 -1.510 -6.324 -8.535 1.00 0.00 C ATOM 248 C LYS A 14 -2.503 -7.081 -7.652 1.00 0.00 C ATOM 249 O LYS A 14 -3.453 -7.685 -8.169 1.00 0.00 O ATOM 250 CB LYS A 14 -1.270 -7.081 -9.863 1.00 0.00 C ATOM 251 CG LYS A 14 -0.795 -8.526 -9.590 1.00 0.00 C ATOM 252 CD LYS A 14 0.710 -8.646 -9.872 1.00 0.00 C ATOM 253 CE LYS A 14 1.218 -10.011 -9.395 1.00 0.00 C ATOM 254 NZ LYS A 14 1.143 -10.076 -7.909 1.00 0.00 N ATOM 0 H LYS A 14 0.041 -5.034 -7.995 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.974 -5.362 -8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.190 -7.100 -10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.524 -6.554 -10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.002 -8.796 -8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.348 -9.224 -10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.900 -8.529 -10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.250 -7.848 -9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.619 -10.808 -9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.245 -10.165 -9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.099 -10.201 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.732 -9.194 -7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.546 -10.879 -7.626 1.00 0.00 H new ATOM 268 N ILE A 15 -2.366 -6.967 -6.340 1.00 0.00 N ATOM 269 CA ILE A 15 -3.337 -7.586 -5.448 1.00 0.00 C ATOM 270 C ILE A 15 -4.455 -6.609 -5.093 1.00 0.00 C ATOM 271 O ILE A 15 -4.197 -5.477 -4.657 1.00 0.00 O ATOM 272 CB ILE A 15 -2.665 -8.168 -4.188 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.894 -7.088 -3.419 1.00 0.00 C ATOM 274 CG2 ILE A 15 -1.691 -9.281 -4.587 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.443 -7.675 -2.073 1.00 0.00 C ATOM 0 H ILE A 15 -1.610 -6.464 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.788 -8.423 -5.981 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.450 -8.565 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.031 -6.756 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.525 -6.214 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.219 -9.689 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.234 -10.072 -5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.926 -8.875 -5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.893 -6.919 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.317 -7.986 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.799 -8.537 -2.249 1.00 0.00 H new ATOM 287 N SER A 16 -5.690 -7.027 -5.346 1.00 0.00 N ATOM 288 CA SER A 16 -6.856 -6.178 -5.136 1.00 0.00 C ATOM 289 C SER A 16 -7.011 -5.807 -3.671 1.00 0.00 C ATOM 290 O SER A 16 -6.578 -6.547 -2.777 1.00 0.00 O ATOM 291 CB SER A 16 -8.136 -6.870 -5.664 1.00 0.00 C ATOM 292 OG SER A 16 -9.304 -6.307 -5.050 1.00 0.00 O ATOM 0 H SER A 16 -5.910 -7.958 -5.700 1.00 0.00 H new ATOM 0 HA SER A 16 -6.705 -5.257 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.197 -6.757 -6.746 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.089 -7.939 -5.457 1.00 0.00 H new ATOM 0 HG SER A 16 -9.857 -7.026 -4.678 1.00 0.00 H new ATOM 298 N GLN A 17 -7.692 -4.694 -3.426 1.00 0.00 N ATOM 299 CA GLN A 17 -7.979 -4.258 -2.073 1.00 0.00 C ATOM 300 C GLN A 17 -8.704 -5.372 -1.353 1.00 0.00 C ATOM 301 O GLN A 17 -8.499 -5.598 -0.166 1.00 0.00 O ATOM 302 CB GLN A 17 -8.883 -3.013 -2.082 1.00 0.00 C ATOM 303 CG GLN A 17 -8.190 -1.836 -2.784 1.00 0.00 C ATOM 304 CD GLN A 17 -6.934 -1.409 -2.029 1.00 0.00 C ATOM 305 OE1 GLN A 17 -6.735 -1.784 -0.871 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.080 -0.634 -2.611 1.00 0.00 N ATOM 0 H GLN A 17 -8.055 -4.078 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.042 -4.012 -1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.820 -3.243 -2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.134 -2.734 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.927 -2.120 -3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.879 -0.994 -2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.243 -0.323 -3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.242 -0.333 -2.113 1.00 0.00 H new ATOM 315 N SER A 18 -9.542 -6.078 -2.090 1.00 0.00 N ATOM 316 CA SER A 18 -10.302 -7.171 -1.529 1.00 0.00 C ATOM 317 C SER A 18 -9.365 -8.215 -0.950 1.00 0.00 C ATOM 318 O SER A 18 -9.529 -8.643 0.191 1.00 0.00 O ATOM 319 CB SER A 18 -11.145 -7.807 -2.635 1.00 0.00 C ATOM 320 OG SER A 18 -10.327 -7.981 -3.801 1.00 0.00 O ATOM 0 H SER A 18 -9.711 -5.910 -3.082 1.00 0.00 H new ATOM 0 HA SER A 18 -10.946 -6.793 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.538 -8.768 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.002 -7.175 -2.867 1.00 0.00 H new ATOM 0 HG SER A 18 -10.310 -8.929 -4.050 1.00 0.00 H new ATOM 326 N GLU A 19 -8.344 -8.565 -1.715 1.00 0.00 N ATOM 327 CA GLU A 19 -7.369 -9.539 -1.266 1.00 0.00 C ATOM 328 C GLU A 19 -6.550 -8.955 -0.140 1.00 0.00 C ATOM 329 O GLU A 19 -6.289 -9.616 0.870 1.00 0.00 O ATOM 330 CB GLU A 19 -6.434 -9.932 -2.416 1.00 0.00 C ATOM 331 CG GLU A 19 -7.198 -9.962 -3.746 1.00 0.00 C ATOM 332 CD GLU A 19 -8.453 -10.805 -3.635 1.00 0.00 C ATOM 333 OE1 GLU A 19 -8.360 -11.916 -3.177 1.00 0.00 O ATOM 334 OE2 GLU A 19 -9.495 -10.323 -4.019 1.00 0.00 O ATOM 0 H GLU A 19 -8.171 -8.189 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.899 -10.426 -0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.609 -9.222 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.998 -10.911 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.463 -8.946 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.555 -10.363 -4.530 1.00 0.00 H new ATOM 341 N LEU A 20 -6.140 -7.710 -0.330 1.00 0.00 N ATOM 342 CA LEU A 20 -5.334 -7.017 0.653 1.00 0.00 C ATOM 343 C LEU A 20 -6.122 -6.862 1.944 1.00 0.00 C ATOM 344 O LEU A 20 -5.640 -7.177 3.030 1.00 0.00 O ATOM 345 CB LEU A 20 -4.946 -5.632 0.108 1.00 0.00 C ATOM 346 CG LEU A 20 -4.047 -4.895 1.109 1.00 0.00 C ATOM 347 CD1 LEU A 20 -2.766 -5.698 1.337 1.00 0.00 C ATOM 348 CD2 LEU A 20 -3.694 -3.509 0.563 1.00 0.00 C ATOM 0 H LEU A 20 -6.356 -7.160 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.430 -7.592 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.427 -5.741 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.844 -5.045 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.577 -4.785 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.129 -5.172 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.019 -6.681 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.236 -5.813 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.055 -2.989 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.167 -3.615 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.608 -2.935 0.408 1.00 0.00 H new ATOM 360 N ALA A 21 -7.362 -6.422 1.808 1.00 0.00 N ATOM 361 CA ALA A 21 -8.245 -6.264 2.946 1.00 0.00 C ATOM 362 C ALA A 21 -8.631 -7.609 3.518 1.00 0.00 C ATOM 363 O ALA A 21 -8.779 -7.754 4.729 1.00 0.00 O ATOM 364 CB ALA A 21 -9.492 -5.481 2.566 1.00 0.00 C ATOM 0 H ALA A 21 -7.780 -6.167 0.913 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.704 -5.703 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.137 -5.377 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.206 -4.492 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.029 -6.011 1.779 1.00 0.00 H new ATOM 370 N ALA A 22 -8.825 -8.588 2.640 1.00 0.00 N ATOM 371 CA ALA A 22 -9.239 -9.923 3.063 1.00 0.00 C ATOM 372 C ALA A 22 -8.289 -10.457 4.111 1.00 0.00 C ATOM 373 O ALA A 22 -8.669 -11.278 4.947 1.00 0.00 O ATOM 374 CB ALA A 22 -9.300 -10.886 1.875 1.00 0.00 C ATOM 0 H ALA A 22 -8.703 -8.483 1.633 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.239 -9.845 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.611 -11.872 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.017 -10.516 1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.315 -10.958 1.414 1.00 0.00 H new ATOM 380 N LEU A 23 -7.077 -9.933 4.121 1.00 0.00 N ATOM 381 CA LEU A 23 -6.129 -10.318 5.136 1.00 0.00 C ATOM 382 C LEU A 23 -6.705 -9.923 6.485 1.00 0.00 C ATOM 383 O LEU A 23 -6.780 -10.736 7.406 1.00 0.00 O ATOM 384 CB LEU A 23 -4.796 -9.589 4.909 1.00 0.00 C ATOM 385 CG LEU A 23 -4.137 -10.086 3.611 1.00 0.00 C ATOM 386 CD1 LEU A 23 -2.928 -9.213 3.281 1.00 0.00 C ATOM 387 CD2 LEU A 23 -3.674 -11.537 3.777 1.00 0.00 C ATOM 0 H LEU A 23 -6.734 -9.250 3.446 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.948 -11.392 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.966 -8.514 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.129 -9.762 5.754 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.867 -10.029 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.463 -9.568 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.250 -8.180 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.206 -9.267 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.209 -11.879 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.951 -11.597 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.532 -12.169 4.007 1.00 0.00 H new ATOM 399 N LEU A 24 -7.263 -8.714 6.551 1.00 0.00 N ATOM 400 CA LEU A 24 -8.026 -8.312 7.726 1.00 0.00 C ATOM 401 C LEU A 24 -9.423 -8.910 7.668 1.00 0.00 C ATOM 402 O LEU A 24 -10.055 -9.161 8.694 1.00 0.00 O ATOM 403 CB LEU A 24 -8.164 -6.789 7.799 1.00 0.00 C ATOM 404 CG LEU A 24 -6.796 -6.110 7.706 1.00 0.00 C ATOM 405 CD1 LEU A 24 -6.972 -4.593 7.843 1.00 0.00 C ATOM 406 CD2 LEU A 24 -5.869 -6.635 8.806 1.00 0.00 C ATOM 0 H LEU A 24 -7.202 -8.009 5.817 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.491 -8.671 8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.804 -6.439 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.651 -6.509 8.733 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.347 -6.336 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.999 -4.106 7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.615 -4.228 7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.427 -4.365 8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.899 -6.144 8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.306 -6.424 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.741 -7.711 8.691 1.00 0.00 H new ATOM 418 N GLU A 25 -9.933 -9.041 6.444 1.00 0.00 N ATOM 419 CA GLU A 25 -11.318 -9.436 6.206 1.00 0.00 C ATOM 420 C GLU A 25 -12.270 -8.669 7.133 1.00 0.00 C ATOM 421 O GLU A 25 -13.174 -9.255 7.747 1.00 0.00 O ATOM 422 CB GLU A 25 -11.515 -10.950 6.336 1.00 0.00 C ATOM 423 CG GLU A 25 -11.748 -11.565 4.951 1.00 0.00 C ATOM 424 CD GLU A 25 -12.884 -12.552 5.015 1.00 0.00 C ATOM 425 OE1 GLU A 25 -13.974 -12.149 5.377 1.00 0.00 O ATOM 426 OE2 GLU A 25 -12.659 -13.690 4.703 1.00 0.00 O ATOM 0 H GLU A 25 -9.398 -8.876 5.592 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.559 -9.173 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.639 -11.401 6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.365 -11.161 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.976 -10.781 4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.841 -12.062 4.607 1.00 0.00 H new ATOM 433 N VAL A 26 -12.049 -7.363 7.231 1.00 0.00 N ATOM 434 CA VAL A 26 -12.855 -6.489 8.086 1.00 0.00 C ATOM 435 C VAL A 26 -13.421 -5.311 7.291 1.00 0.00 C ATOM 436 O VAL A 26 -13.230 -5.220 6.072 1.00 0.00 O ATOM 437 CB VAL A 26 -12.023 -5.978 9.280 1.00 0.00 C ATOM 438 CG1 VAL A 26 -11.505 -7.165 10.100 1.00 0.00 C ATOM 439 CG2 VAL A 26 -10.833 -5.144 8.784 1.00 0.00 C ATOM 0 H VAL A 26 -11.309 -6.878 6.723 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.691 -7.075 8.469 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.661 -5.353 9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.918 -6.797 10.942 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.349 -7.746 10.472 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.879 -7.797 9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.255 -4.790 9.638 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.198 -5.759 8.146 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.199 -4.290 8.215 1.00 0.00 H new ATOM 449 N SER A 27 -14.062 -4.387 7.998 1.00 0.00 N ATOM 450 CA SER A 27 -14.631 -3.185 7.395 1.00 0.00 C ATOM 451 C SER A 27 -13.578 -2.407 6.605 1.00 0.00 C ATOM 452 O SER A 27 -13.907 -1.471 5.869 1.00 0.00 O ATOM 453 CB SER A 27 -15.272 -2.293 8.459 1.00 0.00 C ATOM 454 OG SER A 27 -15.918 -3.114 9.443 1.00 0.00 O ATOM 0 H SER A 27 -14.202 -4.449 9.006 1.00 0.00 H new ATOM 0 HA SER A 27 -15.407 -3.502 6.698 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.513 -1.669 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.996 -1.621 7.998 1.00 0.00 H new ATOM 0 HG SER A 27 -16.328 -2.544 10.127 1.00 0.00 H new ATOM 460 N ARG A 28 -12.311 -2.756 6.810 1.00 0.00 N ATOM 461 CA ARG A 28 -11.202 -2.067 6.160 1.00 0.00 C ATOM 462 C ARG A 28 -11.518 -1.771 4.693 1.00 0.00 C ATOM 463 O ARG A 28 -11.193 -0.698 4.186 1.00 0.00 O ATOM 464 CB ARG A 28 -9.903 -2.897 6.260 1.00 0.00 C ATOM 465 CG ARG A 28 -8.690 -1.965 6.167 1.00 0.00 C ATOM 466 CD ARG A 28 -8.452 -1.263 7.515 1.00 0.00 C ATOM 467 NE ARG A 28 -7.611 -0.089 7.308 1.00 0.00 N ATOM 468 CZ ARG A 28 -6.716 0.337 8.203 1.00 0.00 C ATOM 469 NH1 ARG A 28 -6.588 -0.264 9.352 1.00 0.00 N ATOM 470 NH2 ARG A 28 -5.974 1.357 7.912 1.00 0.00 N ATOM 0 H ARG A 28 -12.026 -3.518 7.426 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.056 -1.120 6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.882 -3.446 7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.869 -3.636 5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.805 -2.536 5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.852 -1.222 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.404 -0.969 7.957 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.973 -1.948 8.215 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.712 0.432 6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.175 -1.068 9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.901 0.070 10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.078 1.823 7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.286 1.695 8.584 1.00 0.00 H new ATOM 484 N GLN A 29 -12.190 -2.699 4.024 1.00 0.00 N ATOM 485 CA GLN A 29 -12.553 -2.489 2.624 1.00 0.00 C ATOM 486 C GLN A 29 -13.416 -1.237 2.488 1.00 0.00 C ATOM 487 O GLN A 29 -13.245 -0.454 1.549 1.00 0.00 O ATOM 488 CB GLN A 29 -13.318 -3.700 2.065 1.00 0.00 C ATOM 489 CG GLN A 29 -12.387 -4.909 1.956 1.00 0.00 C ATOM 490 CD GLN A 29 -13.157 -6.138 1.468 1.00 0.00 C ATOM 491 OE1 GLN A 29 -14.354 -6.051 1.179 1.00 0.00 O ATOM 492 NE2 GLN A 29 -12.548 -7.276 1.355 1.00 0.00 N ATOM 0 H GLN A 29 -12.492 -3.590 4.417 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.633 -2.363 2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.161 -3.938 2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.729 -3.459 1.085 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.572 -4.686 1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.937 -5.117 2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.559 -7.351 1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.058 -8.097 1.028 1.00 0.00 H new ATOM 501 N THR A 30 -14.327 -1.050 3.421 1.00 0.00 N ATOM 502 CA THR A 30 -15.197 0.111 3.407 1.00 0.00 C ATOM 503 C THR A 30 -14.396 1.405 3.599 1.00 0.00 C ATOM 504 O THR A 30 -14.611 2.388 2.888 1.00 0.00 O ATOM 505 CB THR A 30 -16.277 -0.027 4.486 1.00 0.00 C ATOM 506 OG1 THR A 30 -16.839 -1.339 4.418 1.00 0.00 O ATOM 507 CG2 THR A 30 -17.383 1.000 4.238 1.00 0.00 C ATOM 0 H THR A 30 -14.485 -1.688 4.201 1.00 0.00 H new ATOM 0 HA THR A 30 -15.682 0.165 2.432 1.00 0.00 H new ATOM 0 HB THR A 30 -15.834 0.141 5.468 1.00 0.00 H new ATOM 0 HG1 THR A 30 -17.530 -1.435 5.107 1.00 0.00 H new ATOM 0 HG21 THR A 30 -18.150 0.901 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.961 2.005 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 30 -17.827 0.827 3.257 1.00 0.00 H new ATOM 515 N ILE A 31 -13.486 1.412 4.574 1.00 0.00 N ATOM 516 CA ILE A 31 -12.685 2.605 4.871 1.00 0.00 C ATOM 517 C ILE A 31 -11.493 2.741 3.924 1.00 0.00 C ATOM 518 O ILE A 31 -10.946 3.833 3.743 1.00 0.00 O ATOM 519 CB ILE A 31 -12.217 2.593 6.334 1.00 0.00 C ATOM 520 CG1 ILE A 31 -11.456 1.291 6.620 1.00 0.00 C ATOM 521 CG2 ILE A 31 -13.423 2.695 7.273 1.00 0.00 C ATOM 522 CD1 ILE A 31 -10.829 1.343 8.016 1.00 0.00 C ATOM 0 H ILE A 31 -13.284 0.610 5.170 1.00 0.00 H new ATOM 0 HA ILE A 31 -13.325 3.474 4.716 1.00 0.00 H new ATOM 0 HB ILE A 31 -11.560 3.446 6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -12.135 0.441 6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.680 1.142 5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -13.080 2.686 8.308 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.959 3.623 7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.089 1.849 7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -10.292 0.414 8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.135 2.182 8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -11.613 1.470 8.763 1.00 0.00 H new ATOM 534 N ASN A 32 -11.114 1.644 3.301 1.00 0.00 N ATOM 535 CA ASN A 32 -9.988 1.650 2.375 1.00 0.00 C ATOM 536 C ASN A 32 -10.139 2.785 1.364 1.00 0.00 C ATOM 537 O ASN A 32 -9.153 3.295 0.825 1.00 0.00 O ATOM 538 CB ASN A 32 -9.866 0.299 1.657 1.00 0.00 C ATOM 539 CG ASN A 32 -8.674 0.305 0.707 1.00 0.00 C ATOM 540 OD1 ASN A 32 -8.843 0.433 -0.503 1.00 0.00 O ATOM 541 ND2 ASN A 32 -7.474 0.180 1.180 1.00 0.00 N ATOM 0 H ASN A 32 -11.565 0.736 3.415 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.074 1.813 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.751 -0.500 2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.780 0.092 1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.673 0.188 0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.330 0.074 2.184 1.00 0.00 H new ATOM 548 N GLY A 33 -11.376 3.163 1.083 1.00 0.00 N ATOM 549 CA GLY A 33 -11.646 4.249 0.141 1.00 0.00 C ATOM 550 C GLY A 33 -11.034 5.553 0.626 1.00 0.00 C ATOM 551 O GLY A 33 -10.252 6.193 -0.095 1.00 0.00 O ATOM 0 H GLY A 33 -12.209 2.738 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.241 3.995 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.722 4.371 0.019 1.00 0.00 H new ATOM 555 N ILE A 34 -11.298 5.900 1.876 1.00 0.00 N ATOM 556 CA ILE A 34 -10.701 7.083 2.459 1.00 0.00 C ATOM 557 C ILE A 34 -9.203 6.910 2.626 1.00 0.00 C ATOM 558 O ILE A 34 -8.431 7.865 2.468 1.00 0.00 O ATOM 559 CB ILE A 34 -11.393 7.502 3.774 1.00 0.00 C ATOM 560 CG1 ILE A 34 -10.802 8.829 4.250 1.00 0.00 C ATOM 561 CG2 ILE A 34 -11.216 6.439 4.860 1.00 0.00 C ATOM 562 CD1 ILE A 34 -11.693 9.449 5.323 1.00 0.00 C ATOM 0 H ILE A 34 -11.917 5.382 2.499 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.859 7.906 1.762 1.00 0.00 H new ATOM 0 HB ILE A 34 -12.461 7.612 3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.800 8.667 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.704 9.514 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.715 6.765 5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.653 5.499 4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.154 6.295 5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.261 10.394 5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.686 9.629 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.769 8.768 6.171 1.00 0.00 H new ATOM 574 N GLU A 35 -8.792 5.692 2.934 1.00 0.00 N ATOM 575 CA GLU A 35 -7.384 5.406 3.124 1.00 0.00 C ATOM 576 C GLU A 35 -6.610 5.646 1.854 1.00 0.00 C ATOM 577 O GLU A 35 -5.437 5.955 1.904 1.00 0.00 O ATOM 578 CB GLU A 35 -7.157 3.973 3.581 1.00 0.00 C ATOM 579 CG GLU A 35 -7.714 3.780 4.983 1.00 0.00 C ATOM 580 CD GLU A 35 -7.387 2.386 5.449 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.216 2.110 5.618 1.00 0.00 O ATOM 582 OE2 GLU A 35 -8.292 1.615 5.641 1.00 0.00 O ATOM 0 H GLU A 35 -9.411 4.890 3.057 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.028 6.082 3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.640 3.282 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.092 3.743 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.285 4.515 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.793 3.935 4.985 1.00 0.00 H new ATOM 589 N LYS A 36 -7.224 5.361 0.711 1.00 0.00 N ATOM 590 CA LYS A 36 -6.521 5.524 -0.551 1.00 0.00 C ATOM 591 C LYS A 36 -6.360 6.982 -0.924 1.00 0.00 C ATOM 592 O LYS A 36 -5.285 7.403 -1.346 1.00 0.00 O ATOM 593 CB LYS A 36 -7.255 4.827 -1.691 1.00 0.00 C ATOM 594 CG LYS A 36 -7.132 3.317 -1.566 1.00 0.00 C ATOM 595 CD LYS A 36 -7.769 2.663 -2.798 1.00 0.00 C ATOM 596 CE LYS A 36 -9.293 2.773 -2.747 1.00 0.00 C ATOM 597 NZ LYS A 36 -9.771 2.374 -1.408 1.00 0.00 N ATOM 0 H LYS A 36 -8.184 5.024 0.634 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.539 5.073 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.307 5.113 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.845 5.152 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.084 3.030 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.627 2.972 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.396 3.142 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.478 1.614 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.602 3.795 -2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.740 2.135 -3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.807 2.285 -1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.348 1.461 -1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.495 3.095 -0.712 1.00 0.00 H new ATOM 611 N ASN A 37 -7.481 7.679 -1.003 1.00 0.00 N ATOM 612 CA ASN A 37 -7.476 9.025 -1.589 1.00 0.00 C ATOM 613 C ASN A 37 -7.050 10.135 -0.616 1.00 0.00 C ATOM 614 O ASN A 37 -6.098 10.872 -0.896 1.00 0.00 O ATOM 615 CB ASN A 37 -8.840 9.349 -2.223 1.00 0.00 C ATOM 616 CG ASN A 37 -9.856 9.746 -1.161 1.00 0.00 C ATOM 617 OD1 ASN A 37 -10.129 10.928 -0.983 1.00 0.00 O ATOM 618 ND2 ASN A 37 -10.438 8.831 -0.441 1.00 0.00 N ATOM 0 H ASN A 37 -8.391 7.352 -0.679 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.710 9.005 -2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.727 10.159 -2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.204 8.482 -2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.120 9.098 0.269 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.213 7.847 -0.587 1.00 0.00 H new ATOM 625 N LYS A 38 -7.724 10.254 0.526 1.00 0.00 N ATOM 626 CA LYS A 38 -7.358 11.291 1.495 1.00 0.00 C ATOM 627 C LYS A 38 -6.015 10.994 2.134 1.00 0.00 C ATOM 628 O LYS A 38 -5.180 11.880 2.328 1.00 0.00 O ATOM 629 CB LYS A 38 -8.448 11.449 2.572 1.00 0.00 C ATOM 630 CG LYS A 38 -9.697 12.068 1.927 1.00 0.00 C ATOM 631 CD LYS A 38 -10.811 12.276 2.960 1.00 0.00 C ATOM 632 CE LYS A 38 -11.988 12.996 2.288 1.00 0.00 C ATOM 633 NZ LYS A 38 -12.263 12.371 0.965 1.00 0.00 N ATOM 0 H LYS A 38 -8.508 9.662 0.801 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.274 12.234 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.690 10.480 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.088 12.083 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.438 13.023 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.056 11.420 1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.136 11.316 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.440 12.863 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.873 12.937 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.757 14.054 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.236 12.593 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.595 12.743 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.150 11.340 1.038 1.00 0.00 H new ATOM 647 N TYR A 39 -5.854 9.754 2.515 1.00 0.00 N ATOM 648 CA TYR A 39 -4.662 9.281 3.194 1.00 0.00 C ATOM 649 C TYR A 39 -3.961 8.241 2.352 1.00 0.00 C ATOM 650 O TYR A 39 -4.377 7.971 1.221 1.00 0.00 O ATOM 651 CB TYR A 39 -5.036 8.700 4.562 1.00 0.00 C ATOM 652 CG TYR A 39 -5.885 9.709 5.299 1.00 0.00 C ATOM 653 CD1 TYR A 39 -5.287 10.818 5.905 1.00 0.00 C ATOM 654 CD2 TYR A 39 -7.272 9.540 5.363 1.00 0.00 C ATOM 655 CE1 TYR A 39 -6.078 11.758 6.571 1.00 0.00 C ATOM 656 CE2 TYR A 39 -8.060 10.480 6.033 1.00 0.00 C ATOM 657 CZ TYR A 39 -7.465 11.587 6.635 1.00 0.00 C ATOM 658 OH TYR A 39 -8.248 12.519 7.288 1.00 0.00 O ATOM 0 H TYR A 39 -6.554 9.028 2.363 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.982 10.120 3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.582 7.764 4.439 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.137 8.472 5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.216 10.948 5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.734 8.683 4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.618 12.617 7.037 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -9.131 10.348 6.084 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.189 12.249 7.238 1.00 0.00 H new ATOM 668 N ASN A 40 -2.975 7.591 2.952 1.00 0.00 N ATOM 669 CA ASN A 40 -2.380 6.385 2.393 1.00 0.00 C ATOM 670 C ASN A 40 -2.742 5.230 3.330 1.00 0.00 C ATOM 671 O ASN A 40 -3.238 5.469 4.438 1.00 0.00 O ATOM 672 CB ASN A 40 -0.850 6.513 2.275 1.00 0.00 C ATOM 673 CG ASN A 40 -0.420 6.429 0.809 1.00 0.00 C ATOM 674 OD1 ASN A 40 -0.761 5.469 0.104 1.00 0.00 O ATOM 675 ND2 ASN A 40 0.300 7.375 0.296 1.00 0.00 N ATOM 0 H ASN A 40 -2.565 7.884 3.839 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.762 6.213 1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.524 7.461 2.703 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.367 5.722 2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.583 7.327 -0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.584 8.168 0.871 1.00 0.00 H new ATOM 682 N PRO A 41 -2.478 4.004 2.963 1.00 0.00 N ATOM 683 CA PRO A 41 -2.760 2.851 3.885 1.00 0.00 C ATOM 684 C PRO A 41 -1.961 2.975 5.191 1.00 0.00 C ATOM 685 O PRO A 41 -0.845 3.505 5.191 1.00 0.00 O ATOM 686 CB PRO A 41 -2.315 1.624 3.082 1.00 0.00 C ATOM 687 CG PRO A 41 -2.428 2.051 1.653 1.00 0.00 C ATOM 688 CD PRO A 41 -2.065 3.536 1.625 1.00 0.00 C ATOM 0 HA PRO A 41 -3.806 2.802 4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.294 1.336 3.331 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.949 0.762 3.290 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.755 1.473 1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.438 1.889 1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.999 3.688 1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.592 4.066 0.832 1.00 0.00 H new ATOM 696 N SER A 42 -2.555 2.548 6.303 1.00 0.00 N ATOM 697 CA SER A 42 -1.909 2.681 7.604 1.00 0.00 C ATOM 698 C SER A 42 -0.626 1.857 7.644 1.00 0.00 C ATOM 699 O SER A 42 -0.610 0.705 7.210 1.00 0.00 O ATOM 700 CB SER A 42 -2.854 2.211 8.710 1.00 0.00 C ATOM 701 OG SER A 42 -4.172 2.687 8.448 1.00 0.00 O ATOM 0 H SER A 42 -3.476 2.110 6.329 1.00 0.00 H new ATOM 0 HA SER A 42 -1.663 3.731 7.763 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.854 1.122 8.764 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.509 2.578 9.677 1.00 0.00 H new ATOM 0 HG SER A 42 -4.530 3.118 9.252 1.00 0.00 H new ATOM 707 N LEU A 43 0.440 2.439 8.186 1.00 0.00 N ATOM 708 CA LEU A 43 1.723 1.750 8.254 1.00 0.00 C ATOM 709 C LEU A 43 1.639 0.500 9.114 1.00 0.00 C ATOM 710 O LEU A 43 2.139 -0.557 8.731 1.00 0.00 O ATOM 711 CB LEU A 43 2.831 2.676 8.775 1.00 0.00 C ATOM 712 CG LEU A 43 3.135 3.772 7.735 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.148 4.758 8.314 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.721 3.141 6.468 1.00 0.00 C ATOM 0 H LEU A 43 0.441 3.379 8.582 1.00 0.00 H new ATOM 0 HA LEU A 43 1.976 1.450 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.523 3.132 9.716 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.732 2.098 8.981 1.00 0.00 H new ATOM 0 HG LEU A 43 2.210 4.293 7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.363 5.533 7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.737 5.216 9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.068 4.230 8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.933 3.922 5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.643 2.616 6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.004 2.436 6.048 1.00 0.00 H new ATOM 726 N GLN A 44 0.950 0.597 10.242 1.00 0.00 N ATOM 727 CA GLN A 44 0.802 -0.557 11.127 1.00 0.00 C ATOM 728 C GLN A 44 0.201 -1.699 10.338 1.00 0.00 C ATOM 729 O GLN A 44 0.735 -2.816 10.319 1.00 0.00 O ATOM 730 CB GLN A 44 -0.127 -0.203 12.289 1.00 0.00 C ATOM 731 CG GLN A 44 0.281 1.145 12.879 1.00 0.00 C ATOM 732 CD GLN A 44 -0.704 2.210 12.435 1.00 0.00 C ATOM 733 OE1 GLN A 44 -0.831 2.467 11.232 1.00 0.00 O ATOM 734 NE2 GLN A 44 -1.415 2.832 13.313 1.00 0.00 N ATOM 0 H GLN A 44 0.490 1.448 10.566 1.00 0.00 H new ATOM 0 HA GLN A 44 1.776 -0.844 11.523 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.160 -0.162 11.943 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.078 -0.977 13.055 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.303 1.086 13.967 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.288 1.407 12.553 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.306 2.616 14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.087 3.540 13.017 1.00 0.00 H new ATOM 743 N LEU A 45 -0.846 -1.375 9.597 1.00 0.00 N ATOM 744 CA LEU A 45 -1.464 -2.316 8.689 1.00 0.00 C ATOM 745 C LEU A 45 -0.476 -2.691 7.598 1.00 0.00 C ATOM 746 O LEU A 45 -0.312 -3.870 7.268 1.00 0.00 O ATOM 747 CB LEU A 45 -2.743 -1.710 8.079 1.00 0.00 C ATOM 748 CG LEU A 45 -3.397 -2.708 7.110 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.713 -4.014 7.839 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.700 -2.110 6.567 1.00 0.00 C ATOM 0 H LEU A 45 -1.287 -0.455 9.611 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.744 -3.215 9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.444 -1.450 8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.501 -0.787 7.552 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.709 -2.910 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.176 -4.715 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.791 -4.445 8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.397 -3.814 8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.166 -2.816 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.380 -1.907 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.482 -1.181 6.040 1.00 0.00 H new ATOM 762 N ALA A 46 0.212 -1.674 7.065 1.00 0.00 N ATOM 763 CA ALA A 46 1.184 -1.870 5.995 1.00 0.00 C ATOM 764 C ALA A 46 2.198 -2.923 6.381 1.00 0.00 C ATOM 765 O ALA A 46 2.486 -3.824 5.597 1.00 0.00 O ATOM 766 CB ALA A 46 1.899 -0.558 5.659 1.00 0.00 C ATOM 0 H ALA A 46 0.109 -0.704 7.363 1.00 0.00 H new ATOM 0 HA ALA A 46 0.643 -2.208 5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.618 -0.730 4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.167 0.183 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.421 -0.191 6.543 1.00 0.00 H new ATOM 772 N LEU A 47 2.683 -2.858 7.606 1.00 0.00 N ATOM 773 CA LEU A 47 3.622 -3.864 8.078 1.00 0.00 C ATOM 774 C LEU A 47 2.972 -5.239 8.053 1.00 0.00 C ATOM 775 O LEU A 47 3.604 -6.233 7.669 1.00 0.00 O ATOM 776 CB LEU A 47 4.136 -3.545 9.499 1.00 0.00 C ATOM 777 CG LEU A 47 5.327 -2.557 9.462 1.00 0.00 C ATOM 778 CD1 LEU A 47 6.395 -3.029 8.469 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.854 -1.156 9.074 1.00 0.00 C ATOM 0 H LEU A 47 2.449 -2.133 8.285 1.00 0.00 H new ATOM 0 HA LEU A 47 4.480 -3.857 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.327 -3.119 10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.442 -4.468 9.992 1.00 0.00 H new ATOM 0 HG LEU A 47 5.762 -2.523 10.461 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.222 -2.319 8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.762 -4.011 8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.961 -3.093 7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.706 -0.477 9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.392 -1.188 8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.126 -0.803 9.804 1.00 0.00 H new ATOM 791 N LYS A 48 1.720 -5.300 8.474 1.00 0.00 N ATOM 792 CA LYS A 48 0.993 -6.566 8.487 1.00 0.00 C ATOM 793 C LYS A 48 0.755 -7.078 7.067 1.00 0.00 C ATOM 794 O LYS A 48 0.960 -8.265 6.783 1.00 0.00 O ATOM 795 CB LYS A 48 -0.338 -6.416 9.241 1.00 0.00 C ATOM 796 CG LYS A 48 -0.055 -6.072 10.717 1.00 0.00 C ATOM 797 CD LYS A 48 0.589 -7.271 11.435 1.00 0.00 C ATOM 798 CE LYS A 48 1.173 -6.820 12.778 1.00 0.00 C ATOM 799 NZ LYS A 48 0.139 -6.096 13.558 1.00 0.00 N ATOM 0 H LYS A 48 1.186 -4.498 8.809 1.00 0.00 H new ATOM 0 HA LYS A 48 1.605 -7.301 9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.942 -5.633 8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.912 -7.340 9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.606 -5.208 10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.984 -5.797 11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.154 -8.052 11.595 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.374 -7.700 10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.527 -7.685 13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.035 -6.174 12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.404 -6.089 14.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.065 -5.118 13.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.778 -6.573 13.445 1.00 0.00 H new ATOM 813 N ILE A 49 0.351 -6.184 6.169 1.00 0.00 N ATOM 814 CA ILE A 49 0.106 -6.574 4.778 1.00 0.00 C ATOM 815 C ILE A 49 1.409 -6.686 3.995 1.00 0.00 C ATOM 816 O ILE A 49 1.484 -7.411 2.994 1.00 0.00 O ATOM 817 CB ILE A 49 -0.864 -5.610 4.087 1.00 0.00 C ATOM 818 CG1 ILE A 49 -0.291 -4.192 4.106 1.00 0.00 C ATOM 819 CG2 ILE A 49 -2.210 -5.626 4.819 1.00 0.00 C ATOM 820 CD1 ILE A 49 -1.155 -3.263 3.251 1.00 0.00 C ATOM 0 H ILE A 49 0.187 -5.198 6.372 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.360 -7.559 4.796 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.006 -5.926 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.250 -3.822 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.732 -4.200 3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.900 -4.940 4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.624 -6.634 4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.065 -5.315 5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.738 -2.256 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.174 -3.627 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.170 -3.243 3.647 1.00 0.00 H new ATOM 832 N ALA A 50 2.449 -6.000 4.467 1.00 0.00 N ATOM 833 CA ALA A 50 3.749 -6.053 3.809 1.00 0.00 C ATOM 834 C ALA A 50 4.172 -7.499 3.667 1.00 0.00 C ATOM 835 O ALA A 50 4.806 -7.880 2.687 1.00 0.00 O ATOM 836 CB ALA A 50 4.800 -5.281 4.615 1.00 0.00 C ATOM 0 H ALA A 50 2.416 -5.406 5.296 1.00 0.00 H new ATOM 0 HA ALA A 50 3.667 -5.590 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.762 -5.335 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.495 -4.238 4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.892 -5.720 5.608 1.00 0.00 H new ATOM 842 N TYR A 51 3.700 -8.317 4.588 1.00 0.00 N ATOM 843 CA TYR A 51 3.927 -9.746 4.538 1.00 0.00 C ATOM 844 C TYR A 51 3.343 -10.328 3.252 1.00 0.00 C ATOM 845 O TYR A 51 4.037 -11.010 2.500 1.00 0.00 O ATOM 846 CB TYR A 51 3.285 -10.395 5.773 1.00 0.00 C ATOM 847 CG TYR A 51 3.324 -11.900 5.682 1.00 0.00 C ATOM 848 CD1 TYR A 51 4.522 -12.595 5.871 1.00 0.00 C ATOM 849 CD2 TYR A 51 2.143 -12.603 5.425 1.00 0.00 C ATOM 850 CE1 TYR A 51 4.533 -13.992 5.803 1.00 0.00 C ATOM 851 CE2 TYR A 51 2.156 -13.990 5.354 1.00 0.00 C ATOM 852 CZ TYR A 51 3.347 -14.687 5.544 1.00 0.00 C ATOM 853 OH TYR A 51 3.356 -16.064 5.485 1.00 0.00 O ATOM 0 H TYR A 51 3.150 -8.009 5.390 1.00 0.00 H new ATOM 0 HA TYR A 51 4.998 -9.951 4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.809 -10.069 6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.252 -10.061 5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.436 -12.055 6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.217 -12.066 5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.456 -14.533 5.950 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.242 -14.529 5.151 1.00 0.00 H new ATOM 0 HH TYR A 51 2.451 -16.389 5.298 1.00 0.00 H new ATOM 863 N TYR A 52 2.106 -9.977 2.951 1.00 0.00 N ATOM 864 CA TYR A 52 1.505 -10.369 1.680 1.00 0.00 C ATOM 865 C TYR A 52 2.147 -9.637 0.515 1.00 0.00 C ATOM 866 O TYR A 52 2.428 -10.222 -0.523 1.00 0.00 O ATOM 867 CB TYR A 52 -0.019 -10.195 1.676 1.00 0.00 C ATOM 868 CG TYR A 52 -0.648 -11.540 1.402 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.481 -12.584 2.316 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.372 -11.754 0.225 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.040 -13.834 2.059 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.929 -13.013 -0.035 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.760 -14.053 0.888 1.00 0.00 C ATOM 874 OH TYR A 52 -2.296 -15.295 0.636 1.00 0.00 O ATOM 0 H TYR A 52 1.500 -9.427 3.559 1.00 0.00 H new ATOM 0 HA TYR A 52 1.701 -11.434 1.556 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.359 -9.805 2.635 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.317 -9.474 0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.082 -12.422 3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.502 -10.949 -0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.914 -14.636 2.771 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.487 -13.181 -0.944 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.769 -15.279 -0.222 1.00 0.00 H new ATOM 884 N LEU A 53 2.375 -8.349 0.701 1.00 0.00 N ATOM 885 CA LEU A 53 2.990 -7.530 -0.336 1.00 0.00 C ATOM 886 C LEU A 53 4.408 -7.973 -0.645 1.00 0.00 C ATOM 887 O LEU A 53 4.888 -7.789 -1.750 1.00 0.00 O ATOM 888 CB LEU A 53 2.895 -6.032 -0.033 1.00 0.00 C ATOM 889 CG LEU A 53 1.426 -5.582 -0.183 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.244 -4.178 0.384 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.052 -5.556 -1.672 1.00 0.00 C ATOM 0 H LEU A 53 2.145 -7.846 1.558 1.00 0.00 H new ATOM 0 HA LEU A 53 2.410 -7.690 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.250 -5.829 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.533 -5.469 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 53 0.789 -6.281 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.204 -3.872 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.511 -4.175 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.887 -3.482 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.015 -5.239 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.703 -4.858 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.173 -6.553 -2.095 1.00 0.00 H new ATOM 903 N ASN A 54 5.121 -8.453 0.344 1.00 0.00 N ATOM 904 CA ASN A 54 6.499 -8.884 0.115 1.00 0.00 C ATOM 905 C ASN A 54 7.284 -7.741 -0.486 1.00 0.00 C ATOM 906 O ASN A 54 8.182 -7.947 -1.313 1.00 0.00 O ATOM 907 CB ASN A 54 6.517 -10.060 -0.873 1.00 0.00 C ATOM 908 CG ASN A 54 7.692 -10.978 -0.564 1.00 0.00 C ATOM 909 OD1 ASN A 54 7.542 -12.204 -0.543 1.00 0.00 O ATOM 910 ND2 ASN A 54 8.857 -10.462 -0.321 1.00 0.00 N ATOM 0 H ASN A 54 4.788 -8.558 1.302 1.00 0.00 H new ATOM 0 HA ASN A 54 6.940 -9.190 1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.582 -10.617 -0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.594 -9.687 -1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.650 -11.069 -0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.980 -9.450 -0.339 1.00 0.00 H new ATOM 917 N THR A 55 6.923 -6.544 -0.102 1.00 0.00 N ATOM 918 CA THR A 55 7.557 -5.363 -0.613 1.00 0.00 C ATOM 919 C THR A 55 7.910 -4.453 0.562 1.00 0.00 C ATOM 920 O THR A 55 7.019 -3.993 1.282 1.00 0.00 O ATOM 921 CB THR A 55 6.573 -4.667 -1.573 1.00 0.00 C ATOM 922 OG1 THR A 55 5.906 -5.662 -2.382 1.00 0.00 O ATOM 923 CG2 THR A 55 7.323 -3.690 -2.477 1.00 0.00 C ATOM 0 H THR A 55 6.181 -6.364 0.574 1.00 0.00 H new ATOM 0 HA THR A 55 8.472 -5.604 -1.154 1.00 0.00 H new ATOM 0 HB THR A 55 5.836 -4.115 -0.990 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.146 -6.032 -1.886 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.618 -3.204 -3.151 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.819 -2.936 -1.866 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.068 -4.232 -3.060 1.00 0.00 H new ATOM 931 N PRO A 56 9.184 -4.273 0.834 1.00 0.00 N ATOM 932 CA PRO A 56 9.619 -3.482 2.027 1.00 0.00 C ATOM 933 C PRO A 56 9.181 -2.026 1.960 1.00 0.00 C ATOM 934 O PRO A 56 9.438 -1.336 0.968 1.00 0.00 O ATOM 935 CB PRO A 56 11.150 -3.590 2.000 1.00 0.00 C ATOM 936 CG PRO A 56 11.421 -4.827 1.219 1.00 0.00 C ATOM 937 CD PRO A 56 10.340 -4.879 0.149 1.00 0.00 C ATOM 0 HA PRO A 56 9.172 -3.864 2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.602 -2.716 1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.561 -3.658 3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 56 12.415 -4.799 0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 56 11.384 -5.710 1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 56 10.623 -4.318 -0.742 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.133 -5.901 -0.170 1.00 0.00 H new ATOM 945 N LEU A 57 8.689 -1.521 3.074 1.00 0.00 N ATOM 946 CA LEU A 57 8.377 -0.111 3.191 1.00 0.00 C ATOM 947 C LEU A 57 9.662 0.700 3.122 1.00 0.00 C ATOM 948 O LEU A 57 9.705 1.782 2.542 1.00 0.00 O ATOM 949 CB LEU A 57 7.628 0.175 4.496 1.00 0.00 C ATOM 950 CG LEU A 57 6.261 -0.533 4.472 1.00 0.00 C ATOM 951 CD1 LEU A 57 5.536 -0.309 5.803 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.403 0.007 3.319 1.00 0.00 C ATOM 0 H LEU A 57 8.496 -2.068 3.913 1.00 0.00 H new ATOM 0 HA LEU A 57 7.727 0.177 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.214 -0.172 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.491 1.249 4.620 1.00 0.00 H new ATOM 0 HG LEU A 57 6.422 -1.601 4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.569 -0.812 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.137 -0.714 6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.385 0.759 5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.439 -0.502 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.247 1.078 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.913 -0.171 2.372 1.00 0.00 H new ATOM 964 N GLU A 58 10.706 0.175 3.740 1.00 0.00 N ATOM 965 CA GLU A 58 11.994 0.856 3.781 1.00 0.00 C ATOM 966 C GLU A 58 12.447 1.182 2.361 1.00 0.00 C ATOM 967 O GLU A 58 12.928 2.288 2.082 1.00 0.00 O ATOM 968 CB GLU A 58 13.060 -0.019 4.483 1.00 0.00 C ATOM 969 CG GLU A 58 12.473 -1.384 4.902 1.00 0.00 C ATOM 970 CD GLU A 58 11.496 -1.212 6.047 1.00 0.00 C ATOM 971 OE1 GLU A 58 11.927 -0.859 7.118 1.00 0.00 O ATOM 972 OE2 GLU A 58 10.326 -1.438 5.838 1.00 0.00 O ATOM 0 H GLU A 58 10.689 -0.724 4.223 1.00 0.00 H new ATOM 0 HA GLU A 58 11.879 1.779 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.906 -0.174 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.441 0.502 5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.970 -1.846 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.277 -2.056 5.200 1.00 0.00 H new ATOM 979 N ASP A 59 12.215 0.241 1.451 1.00 0.00 N ATOM 980 CA ASP A 59 12.515 0.452 0.039 1.00 0.00 C ATOM 981 C ASP A 59 11.645 1.581 -0.499 1.00 0.00 C ATOM 982 O ASP A 59 12.099 2.436 -1.262 1.00 0.00 O ATOM 983 CB ASP A 59 12.261 -0.828 -0.765 1.00 0.00 C ATOM 984 CG ASP A 59 12.884 -0.708 -2.141 1.00 0.00 C ATOM 985 OD1 ASP A 59 14.091 -0.660 -2.223 1.00 0.00 O ATOM 986 OD2 ASP A 59 12.151 -0.679 -3.098 1.00 0.00 O ATOM 0 H ASP A 59 11.820 -0.675 1.666 1.00 0.00 H new ATOM 0 HA ASP A 59 13.567 0.718 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.681 -1.686 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.189 -1.003 -0.856 1.00 0.00 H new ATOM 991 N ILE A 60 10.405 1.609 -0.056 1.00 0.00 N ATOM 992 CA ILE A 60 9.501 2.690 -0.403 1.00 0.00 C ATOM 993 C ILE A 60 10.022 3.997 0.194 1.00 0.00 C ATOM 994 O ILE A 60 10.058 5.038 -0.469 1.00 0.00 O ATOM 995 CB ILE A 60 8.074 2.380 0.091 1.00 0.00 C ATOM 996 CG1 ILE A 60 7.533 1.190 -0.703 1.00 0.00 C ATOM 997 CG2 ILE A 60 7.153 3.590 -0.128 1.00 0.00 C ATOM 998 CD1 ILE A 60 6.215 0.711 -0.089 1.00 0.00 C ATOM 0 H ILE A 60 9.998 0.894 0.547 1.00 0.00 H new ATOM 0 HA ILE A 60 9.458 2.794 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 60 8.104 2.152 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.377 1.476 -1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.261 0.379 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.150 3.353 0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.540 4.446 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.115 3.831 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.835 -0.137 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.384 0.407 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.486 1.521 -0.114 1.00 0.00 H new ATOM 1010 N PHE A 61 10.465 3.927 1.443 1.00 0.00 N ATOM 1011 CA PHE A 61 10.979 5.104 2.143 1.00 0.00 C ATOM 1012 C PHE A 61 12.288 5.623 1.550 1.00 0.00 C ATOM 1013 O PHE A 61 12.876 6.570 2.078 1.00 0.00 O ATOM 1014 CB PHE A 61 11.123 4.850 3.651 1.00 0.00 C ATOM 1015 CG PHE A 61 9.752 4.885 4.300 1.00 0.00 C ATOM 1016 CD1 PHE A 61 9.071 6.102 4.415 1.00 0.00 C ATOM 1017 CD2 PHE A 61 9.160 3.709 4.781 1.00 0.00 C ATOM 1018 CE1 PHE A 61 7.805 6.144 5.008 1.00 0.00 C ATOM 1019 CE2 PHE A 61 7.891 3.756 5.374 1.00 0.00 C ATOM 1020 CZ PHE A 61 7.216 4.974 5.488 1.00 0.00 C ATOM 0 H PHE A 61 10.480 3.069 1.994 1.00 0.00 H new ATOM 0 HA PHE A 61 10.235 5.887 2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.595 3.883 3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.769 5.605 4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.524 7.010 4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.681 2.767 4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.282 7.085 5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.434 2.850 5.743 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.239 5.010 5.947 1.00 0.00 H new ATOM 1030 N GLN A 62 12.659 5.116 0.382 1.00 0.00 N ATOM 1031 CA GLN A 62 13.779 5.686 -0.361 1.00 0.00 C ATOM 1032 C GLN A 62 13.428 7.107 -0.756 1.00 0.00 C ATOM 1033 O GLN A 62 14.311 7.947 -0.949 1.00 0.00 O ATOM 1034 CB GLN A 62 14.062 4.887 -1.635 1.00 0.00 C ATOM 1035 CG GLN A 62 14.670 3.529 -1.300 1.00 0.00 C ATOM 1036 CD GLN A 62 14.826 2.734 -2.584 1.00 0.00 C ATOM 1037 OE1 GLN A 62 15.883 2.767 -3.218 1.00 0.00 O ATOM 1038 NE2 GLN A 62 13.834 2.037 -3.022 1.00 0.00 N ATOM 0 H GLN A 62 12.208 4.320 -0.069 1.00 0.00 H new ATOM 0 HA GLN A 62 14.664 5.659 0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.137 4.748 -2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.742 5.447 -2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.638 3.658 -0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.031 2.992 -0.599 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.959 2.009 -2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.924 1.513 -3.893 1.00 0.00 H new ATOM 1047 N TRP A 63 12.132 7.325 -0.986 1.00 0.00 N ATOM 1048 CA TRP A 63 11.598 8.604 -1.460 1.00 0.00 C ATOM 1049 C TRP A 63 11.722 8.705 -2.965 1.00 0.00 C ATOM 1050 O TRP A 63 12.170 7.763 -3.622 1.00 0.00 O ATOM 1051 CB TRP A 63 12.286 9.811 -0.795 1.00 0.00 C ATOM 1052 CG TRP A 63 12.333 9.641 0.691 1.00 0.00 C ATOM 1053 CD1 TRP A 63 11.371 9.059 1.443 1.00 0.00 C ATOM 1054 CD2 TRP A 63 13.378 10.050 1.611 1.00 0.00 C ATOM 1055 NE1 TRP A 63 11.764 9.090 2.763 1.00 0.00 N ATOM 1056 CE2 TRP A 63 12.995 9.685 2.920 1.00 0.00 C ATOM 1057 CE3 TRP A 63 14.615 10.690 1.438 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 13.808 9.956 4.020 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 15.435 10.962 2.541 1.00 0.00 C ATOM 1060 CH2 TRP A 63 15.033 10.595 3.831 1.00 0.00 C ATOM 0 H TRP A 63 11.416 6.612 -0.847 1.00 0.00 H new ATOM 0 HA TRP A 63 10.545 8.631 -1.178 1.00 0.00 H new ATOM 0 HB2 TRP A 63 13.298 9.920 -1.186 1.00 0.00 H new ATOM 0 HB3 TRP A 63 11.748 10.725 -1.044 1.00 0.00 H new ATOM 0 HD1 TRP A 63 10.448 8.640 1.070 1.00 0.00 H new ATOM 0 HE1 TRP A 63 11.209 8.716 3.533 1.00 0.00 H new ATOM 0 HE3 TRP A 63 14.937 10.975 0.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 13.491 9.673 5.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 16.383 11.458 2.395 1.00 0.00 H new ATOM 0 HH2 TRP A 63 15.670 10.806 4.677 1.00 0.00 H new ATOM 1071 N GLN A 64 11.350 9.855 -3.507 1.00 0.00 N ATOM 1072 CA GLN A 64 11.449 10.087 -4.934 1.00 0.00 C ATOM 1073 C GLN A 64 12.297 11.317 -5.216 1.00 0.00 C ATOM 1074 O GLN A 64 11.793 12.344 -5.682 1.00 0.00 O ATOM 1075 CB GLN A 64 10.053 10.238 -5.561 1.00 0.00 C ATOM 1076 CG GLN A 64 9.241 8.947 -5.349 1.00 0.00 C ATOM 1077 CD GLN A 64 9.990 7.737 -5.910 1.00 0.00 C ATOM 1078 OE1 GLN A 64 9.900 6.641 -5.352 1.00 0.00 O ATOM 1079 NE2 GLN A 64 10.728 7.865 -6.974 1.00 0.00 N ATOM 0 H GLN A 64 10.976 10.642 -2.976 1.00 0.00 H new ATOM 0 HA GLN A 64 11.933 9.222 -5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.532 11.083 -5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.144 10.450 -6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.051 8.802 -4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.270 9.038 -5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.803 8.771 -7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.231 7.059 -7.346 1.00 0.00 H new ATOM 1088 N PRO A 65 13.575 11.228 -4.973 1.00 0.00 N ATOM 1089 CA PRO A 65 14.503 12.365 -5.263 1.00 0.00 C ATOM 1090 C PRO A 65 14.471 12.677 -6.749 1.00 0.00 C ATOM 1091 O PRO A 65 14.702 13.810 -7.177 1.00 0.00 O ATOM 1092 CB PRO A 65 15.883 11.814 -4.860 1.00 0.00 C ATOM 1093 CG PRO A 65 15.737 10.331 -4.951 1.00 0.00 C ATOM 1094 CD PRO A 65 14.312 10.033 -4.510 1.00 0.00 C ATOM 0 HA PRO A 65 14.246 13.284 -4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 65 16.665 12.177 -5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 65 16.155 12.125 -3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 65 15.914 9.981 -5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 65 16.460 9.826 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.930 9.119 -4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 65 14.240 9.906 -3.430 1.00 0.00 H new ATOM 1102 N GLU A 66 14.110 11.668 -7.514 1.00 0.00 N ATOM 1103 CA GLU A 66 13.961 11.775 -8.945 1.00 0.00 C ATOM 1104 C GLU A 66 12.838 10.859 -9.408 1.00 0.00 C ATOM 1105 O GLU A 66 12.346 11.057 -10.487 1.00 0.00 O ATOM 1106 CB GLU A 66 15.271 11.402 -9.647 1.00 0.00 C ATOM 1107 CG GLU A 66 16.043 10.363 -8.818 1.00 0.00 C ATOM 1108 CD GLU A 66 16.587 9.285 -9.722 1.00 0.00 C ATOM 1109 OE1 GLU A 66 17.531 9.551 -10.427 1.00 0.00 O ATOM 1110 OE2 GLU A 66 16.042 8.203 -9.711 1.00 0.00 O ATOM 1111 OXT GLU A 66 12.487 9.966 -8.666 1.00 0.00 O ATOM 0 H GLU A 66 13.909 10.736 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 66 13.715 12.805 -9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 66 15.059 11.002 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.883 12.293 -9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 66 16.860 10.847 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.386 9.923 -8.068 1.00 0.00 H new TER 1118 GLU A 66