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 52 TYR OH : rot -33:sc= 0.759 USER MOD Set 1.2: A 54 ASN : amide:sc= 1.48 K(o=2.2,f=-0.12) USER MOD Single : A 1 MET CE :methyl -141:sc= -0.731 (180deg=-2.67!) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0261 (180deg=-0.437) USER MOD Single : A 4 ASN : amide:sc= -8.29! C(o=-8.3!,f=-16!) USER MOD Single : A 5 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.2!) USER MOD Single : A 7 LYS NZ :NH3+ -101:sc= 1.42! (180deg=-3.97!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= -0.179 (180deg=-1.41!) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.243 (180deg=-0.825) USER MOD Single : A 16 SER OG : rot 149:sc= 1.24 USER MOD Single : A 17 GLN : amide:sc= -4.85! C(o=-4.8!,f=-17!) USER MOD Single : A 18 SER OG : rot -81:sc= 0.162 USER MOD Single : A 27 SER OG : rot 86:sc= 0.188 USER MOD Single : A 29 GLN : amide:sc= -0.788 K(o=-0.79,f=-0.12) USER MOD Single : A 30 THR OG1 : rot 59:sc= 1.36 USER MOD Single : A 32 ASN : amide:sc= -0.453! C(o=-0.45!,f=-10!) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -0.332 (180deg=-0.762) USER MOD Single : A 37 ASN : amide:sc= -2.44! X(o=-2.4!,f=-2.7) USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= -0.16 (180deg=-0.78) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.258 X(o=0.26,f=-0.24) USER MOD Single : A 42 SER OG : rot 88:sc= 1.17 USER MOD Single : A 44 GLN : amide:sc= -0.687 K(o=-0.69,f=-16!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 80:sc= -0.928 USER MOD Single : A 62 GLN : amide:sc= -0.751 K(o=-0.75,f=-2.1) USER MOD Single : A 64 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.464 8.043 5.829 1.00 0.00 N ATOM 2 CA MET A 1 5.821 8.303 4.443 1.00 0.00 C ATOM 3 C MET A 1 4.701 9.078 3.752 1.00 0.00 C ATOM 4 O MET A 1 3.679 8.496 3.379 1.00 0.00 O ATOM 5 CB MET A 1 6.047 6.977 3.709 1.00 0.00 C ATOM 6 CG MET A 1 7.242 6.240 4.319 1.00 0.00 C ATOM 7 SD MET A 1 7.546 4.710 3.395 1.00 0.00 S ATOM 8 CE MET A 1 6.074 3.804 3.937 1.00 0.00 C ATOM 0 H1 MET A 1 6.319 7.799 6.368 1.00 0.00 H new ATOM 0 H2 MET A 1 5.026 8.892 6.240 1.00 0.00 H new ATOM 0 H3 MET A 1 4.791 7.251 5.871 1.00 0.00 H new ATOM 0 HA MET A 1 6.737 8.894 4.419 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.153 6.357 3.777 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.226 7.164 2.650 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.127 6.876 4.292 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.046 6.012 5.367 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.332 2.758 4.105 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.700 4.239 4.864 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.304 3.869 3.169 1.00 0.00 H new ATOM 18 N ILE A 2 4.894 10.380 3.561 1.00 0.00 N ATOM 19 CA ILE A 2 3.871 11.202 2.921 1.00 0.00 C ATOM 20 C ILE A 2 3.664 10.783 1.471 1.00 0.00 C ATOM 21 O ILE A 2 2.530 10.654 1.012 1.00 0.00 O ATOM 22 CB ILE A 2 4.204 12.703 3.026 1.00 0.00 C ATOM 23 CG1 ILE A 2 5.538 13.011 2.335 1.00 0.00 C ATOM 24 CG2 ILE A 2 4.298 13.107 4.500 1.00 0.00 C ATOM 25 CD1 ILE A 2 5.754 14.525 2.307 1.00 0.00 C ATOM 0 H ILE A 2 5.737 10.884 3.836 1.00 0.00 H new ATOM 0 HA ILE A 2 2.935 11.039 3.455 1.00 0.00 H new ATOM 0 HB ILE A 2 3.412 13.267 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 2 6.357 12.525 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.536 12.613 1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.534 14.169 4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.345 12.913 4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.082 12.528 4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.701 14.748 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.940 14.998 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.774 14.909 3.327 1.00 0.00 H new ATOM 37 N ILE A 3 4.757 10.499 0.773 1.00 0.00 N ATOM 38 CA ILE A 3 4.666 9.990 -0.590 1.00 0.00 C ATOM 39 C ILE A 3 4.111 8.572 -0.563 1.00 0.00 C ATOM 40 O ILE A 3 3.473 8.121 -1.519 1.00 0.00 O ATOM 41 CB ILE A 3 6.047 10.000 -1.274 1.00 0.00 C ATOM 42 CG1 ILE A 3 7.089 9.290 -0.379 1.00 0.00 C ATOM 43 CG2 ILE A 3 6.486 11.442 -1.562 1.00 0.00 C ATOM 44 CD1 ILE A 3 7.909 10.311 0.424 1.00 0.00 C ATOM 0 H ILE A 3 5.708 10.611 1.124 1.00 0.00 H new ATOM 0 HA ILE A 3 3.999 10.636 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 3 5.975 9.463 -2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.583 8.607 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.755 8.688 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.463 11.435 -2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.759 11.919 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.548 11.997 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.635 9.787 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.433 10.977 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.242 10.895 1.059 1.00 0.00 H new ATOM 56 N ASN A 4 4.331 7.903 0.566 1.00 0.00 N ATOM 57 CA ASN A 4 3.871 6.534 0.823 1.00 0.00 C ATOM 58 C ASN A 4 4.329 5.538 -0.235 1.00 0.00 C ATOM 59 O ASN A 4 4.912 4.518 0.098 1.00 0.00 O ATOM 60 CB ASN A 4 2.344 6.472 1.010 1.00 0.00 C ATOM 61 CG ASN A 4 1.662 5.905 -0.233 1.00 0.00 C ATOM 62 OD1 ASN A 4 1.240 4.740 -0.245 1.00 0.00 O ATOM 63 ND2 ASN A 4 1.539 6.648 -1.281 1.00 0.00 N ATOM 0 H ASN A 4 4.847 8.305 1.349 1.00 0.00 H new ATOM 0 HA ASN A 4 4.343 6.235 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 4 2.105 5.853 1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.959 7.470 1.217 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.094 6.276 -2.120 1.00 0.00 H new ATOM 0 HD22 ASN A 4 1.887 7.607 -1.270 1.00 0.00 H new ATOM 70 N ASN A 5 3.990 5.801 -1.491 1.00 0.00 N ATOM 71 CA ASN A 5 4.293 4.909 -2.624 1.00 0.00 C ATOM 72 C ASN A 5 3.761 3.477 -2.430 1.00 0.00 C ATOM 73 O ASN A 5 3.565 2.753 -3.402 1.00 0.00 O ATOM 74 CB ASN A 5 5.793 4.882 -2.918 1.00 0.00 C ATOM 75 CG ASN A 5 6.227 6.198 -3.551 1.00 0.00 C ATOM 76 OD1 ASN A 5 6.768 7.063 -2.868 1.00 0.00 O ATOM 77 ND2 ASN A 5 6.023 6.403 -4.820 1.00 0.00 N ATOM 0 H ASN A 5 3.491 6.648 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 5 3.767 5.327 -3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.349 4.712 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.025 4.054 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.313 7.283 -5.248 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.574 5.684 -5.387 1.00 0.00 H new ATOM 84 N LEU A 6 3.545 3.069 -1.189 1.00 0.00 N ATOM 85 CA LEU A 6 3.111 1.710 -0.881 1.00 0.00 C ATOM 86 C LEU A 6 1.773 1.430 -1.548 1.00 0.00 C ATOM 87 O LEU A 6 1.580 0.376 -2.165 1.00 0.00 O ATOM 88 CB LEU A 6 3.000 1.536 0.653 1.00 0.00 C ATOM 89 CG LEU A 6 2.782 0.055 1.053 1.00 0.00 C ATOM 90 CD1 LEU A 6 1.328 -0.370 0.821 1.00 0.00 C ATOM 91 CD2 LEU A 6 3.723 -0.864 0.263 1.00 0.00 C ATOM 0 H LEU A 6 3.664 3.665 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 6 3.843 0.999 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.907 1.910 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.173 2.139 1.028 1.00 0.00 H new ATOM 0 HG LEU A 6 3.006 -0.036 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.203 -1.414 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.666 0.254 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.079 -0.253 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.554 -1.899 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.527 -0.755 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.758 -0.592 0.472 1.00 0.00 H new ATOM 103 N LYS A 7 0.869 2.400 -1.493 1.00 0.00 N ATOM 104 CA LYS A 7 -0.420 2.241 -2.150 1.00 0.00 C ATOM 105 C LYS A 7 -0.220 2.034 -3.649 1.00 0.00 C ATOM 106 O LYS A 7 -0.875 1.189 -4.261 1.00 0.00 O ATOM 107 CB LYS A 7 -1.335 3.453 -1.878 1.00 0.00 C ATOM 108 CG LYS A 7 -0.853 4.683 -2.669 1.00 0.00 C ATOM 109 CD LYS A 7 -1.806 5.866 -2.423 1.00 0.00 C ATOM 110 CE LYS A 7 -1.607 6.411 -1.001 1.00 0.00 C ATOM 111 NZ LYS A 7 -2.437 7.622 -0.793 1.00 0.00 N ATOM 0 H LYS A 7 1.001 3.289 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.912 1.360 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.360 3.212 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.341 3.679 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.159 4.950 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.814 4.450 -3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.618 6.653 -3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.839 5.546 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.876 5.648 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.556 6.650 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.842 8.470 -0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.192 7.652 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.860 7.594 0.157 1.00 0.00 H new ATOM 125 N LEU A 8 0.690 2.806 -4.223 1.00 0.00 N ATOM 126 CA LEU A 8 0.999 2.719 -5.647 1.00 0.00 C ATOM 127 C LEU A 8 1.581 1.352 -5.988 1.00 0.00 C ATOM 128 O LEU A 8 1.267 0.766 -7.030 1.00 0.00 O ATOM 129 CB LEU A 8 1.969 3.831 -6.060 1.00 0.00 C ATOM 130 CG LEU A 8 1.273 5.201 -5.932 1.00 0.00 C ATOM 131 CD1 LEU A 8 2.272 6.322 -6.220 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.111 5.296 -6.928 1.00 0.00 C ATOM 0 H LEU A 8 1.234 3.508 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 8 0.071 2.848 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.858 3.804 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.301 3.675 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 8 0.890 5.304 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.773 7.287 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.094 6.269 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.662 6.211 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.374 6.267 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.492 5.182 -7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.612 4.507 -6.720 1.00 0.00 H new ATOM 144 N ILE A 9 2.425 0.845 -5.105 1.00 0.00 N ATOM 145 CA ILE A 9 3.036 -0.462 -5.305 1.00 0.00 C ATOM 146 C ILE A 9 1.953 -1.537 -5.323 1.00 0.00 C ATOM 147 O ILE A 9 1.960 -2.435 -6.173 1.00 0.00 O ATOM 148 CB ILE A 9 4.076 -0.754 -4.211 1.00 0.00 C ATOM 149 CG1 ILE A 9 5.262 0.220 -4.347 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.592 -2.187 -4.362 1.00 0.00 C ATOM 151 CD1 ILE A 9 5.959 0.031 -5.702 1.00 0.00 C ATOM 0 H ILE A 9 2.703 1.316 -4.244 1.00 0.00 H new ATOM 0 HA ILE A 9 3.555 -0.465 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 9 3.608 -0.630 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.910 1.247 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.973 0.051 -3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.329 -2.392 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.760 -2.885 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.055 -2.306 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.794 0.727 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.329 -0.991 -5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.249 0.223 -6.506 1.00 0.00 H new ATOM 163 N ARG A 10 1.001 -1.414 -4.411 1.00 0.00 N ATOM 164 CA ARG A 10 -0.103 -2.362 -4.328 1.00 0.00 C ATOM 165 C ARG A 10 -0.804 -2.490 -5.675 1.00 0.00 C ATOM 166 O ARG A 10 -1.205 -3.583 -6.068 1.00 0.00 O ATOM 167 CB ARG A 10 -1.114 -1.904 -3.257 1.00 0.00 C ATOM 168 CG ARG A 10 -0.574 -2.210 -1.851 1.00 0.00 C ATOM 169 CD ARG A 10 -1.380 -1.439 -0.784 1.00 0.00 C ATOM 170 NE ARG A 10 -2.812 -1.382 -1.119 1.00 0.00 N ATOM 171 CZ ARG A 10 -3.761 -1.156 -0.199 1.00 0.00 C ATOM 172 NH1 ARG A 10 -3.452 -1.123 1.073 1.00 0.00 N ATOM 173 NH2 ARG A 10 -4.989 -0.970 -0.580 1.00 0.00 N ATOM 0 H ARG A 10 0.969 -0.667 -3.717 1.00 0.00 H new ATOM 0 HA ARG A 10 0.301 -3.336 -4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.302 -0.835 -3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.067 -2.411 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.634 -3.281 -1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.479 -1.933 -1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.252 -1.919 0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.987 -0.426 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.094 -1.520 -2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.486 -1.269 1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.177 -0.951 1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.225 -0.997 -1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.717 -0.797 0.113 1.00 0.00 H new ATOM 187 N GLU A 11 -0.977 -1.371 -6.363 1.00 0.00 N ATOM 188 CA GLU A 11 -1.679 -1.380 -7.644 1.00 0.00 C ATOM 189 C GLU A 11 -0.926 -2.234 -8.655 1.00 0.00 C ATOM 190 O GLU A 11 -1.524 -2.986 -9.419 1.00 0.00 O ATOM 191 CB GLU A 11 -1.791 0.049 -8.205 1.00 0.00 C ATOM 192 CG GLU A 11 -1.964 1.052 -7.063 1.00 0.00 C ATOM 193 CD GLU A 11 -2.217 2.438 -7.619 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.463 2.863 -8.468 1.00 0.00 O ATOM 195 OE2 GLU A 11 -3.170 3.053 -7.199 1.00 0.00 O ATOM 0 H GLU A 11 -0.646 -0.454 -6.063 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.674 -1.792 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.898 0.293 -8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.638 0.114 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.796 0.750 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.071 1.060 -6.438 1.00 0.00 H new ATOM 202 N LYS A 12 0.373 -2.027 -8.717 1.00 0.00 N ATOM 203 CA LYS A 12 1.220 -2.684 -9.711 1.00 0.00 C ATOM 204 C LYS A 12 1.663 -4.071 -9.295 1.00 0.00 C ATOM 205 O LYS A 12 2.111 -4.861 -10.131 1.00 0.00 O ATOM 206 CB LYS A 12 2.424 -1.810 -10.056 1.00 0.00 C ATOM 207 CG LYS A 12 3.090 -1.304 -8.765 1.00 0.00 C ATOM 208 CD LYS A 12 3.923 -0.063 -9.068 1.00 0.00 C ATOM 209 CE LYS A 12 3.005 1.070 -9.560 1.00 0.00 C ATOM 210 NZ LYS A 12 3.537 1.647 -10.822 1.00 0.00 N ATOM 0 H LYS A 12 0.877 -1.403 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 12 0.606 -2.813 -10.603 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.141 -2.380 -10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.108 -0.965 -10.668 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.330 -1.070 -8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.723 -2.084 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.460 0.253 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.672 -0.292 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.997 0.687 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.932 1.846 -8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.910 2.411 -11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.490 2.029 -10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.584 0.906 -11.550 1.00 0.00 H new ATOM 224 N LYS A 13 1.604 -4.362 -8.009 1.00 0.00 N ATOM 225 CA LYS A 13 2.045 -5.664 -7.535 1.00 0.00 C ATOM 226 C LYS A 13 0.930 -6.692 -7.644 1.00 0.00 C ATOM 227 O LYS A 13 0.908 -7.679 -6.912 1.00 0.00 O ATOM 228 CB LYS A 13 2.613 -5.597 -6.117 1.00 0.00 C ATOM 229 CG LYS A 13 3.626 -6.745 -5.942 1.00 0.00 C ATOM 230 CD LYS A 13 4.867 -6.240 -5.198 1.00 0.00 C ATOM 231 CE LYS A 13 6.136 -6.704 -5.924 1.00 0.00 C ATOM 232 NZ LYS A 13 6.104 -6.219 -7.330 1.00 0.00 N ATOM 0 H LYS A 13 1.263 -3.730 -7.285 1.00 0.00 H new ATOM 0 HA LYS A 13 2.860 -5.986 -8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.097 -4.635 -5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.812 -5.684 -5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.168 -7.564 -5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.912 -7.140 -6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.849 -5.152 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.866 -6.615 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.020 -6.321 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.203 -7.792 -5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.071 -5.999 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.701 -6.956 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.518 -5.362 -7.388 1.00 0.00 H new ATOM 246 N LYS A 14 0.044 -6.473 -8.609 1.00 0.00 N ATOM 247 CA LYS A 14 -1.071 -7.375 -8.899 1.00 0.00 C ATOM 248 C LYS A 14 -1.737 -7.900 -7.637 1.00 0.00 C ATOM 249 O LYS A 14 -2.212 -9.039 -7.604 1.00 0.00 O ATOM 250 CB LYS A 14 -0.653 -8.549 -9.817 1.00 0.00 C ATOM 251 CG LYS A 14 0.879 -8.656 -9.945 1.00 0.00 C ATOM 252 CD LYS A 14 1.384 -7.686 -11.027 1.00 0.00 C ATOM 253 CE LYS A 14 1.833 -8.473 -12.266 1.00 0.00 C ATOM 254 NZ LYS A 14 0.752 -9.404 -12.681 1.00 0.00 N ATOM 0 H LYS A 14 0.078 -5.657 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.804 -6.773 -9.436 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.051 -9.482 -9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.092 -8.412 -10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.349 -8.425 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.161 -9.678 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.594 -6.985 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.215 -7.096 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.069 -7.787 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.743 -9.031 -12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.855 -9.627 -13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.816 -10.280 -12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.173 -8.957 -12.517 1.00 0.00 H new ATOM 268 N ILE A 15 -1.831 -7.057 -6.629 1.00 0.00 N ATOM 269 CA ILE A 15 -2.503 -7.426 -5.401 1.00 0.00 C ATOM 270 C ILE A 15 -3.652 -6.466 -5.134 1.00 0.00 C ATOM 271 O ILE A 15 -3.479 -5.241 -5.187 1.00 0.00 O ATOM 272 CB ILE A 15 -1.492 -7.474 -4.238 1.00 0.00 C ATOM 273 CG1 ILE A 15 -0.801 -6.110 -4.070 1.00 0.00 C ATOM 274 CG2 ILE A 15 -0.427 -8.548 -4.528 1.00 0.00 C ATOM 275 CD1 ILE A 15 0.233 -6.205 -2.945 1.00 0.00 C ATOM 0 H ILE A 15 -1.450 -6.111 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.929 -8.425 -5.496 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.026 -7.717 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.317 -5.817 -5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.538 -5.341 -3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.288 -8.582 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.909 -9.520 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.095 -8.303 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.726 -5.241 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.265 -6.480 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.975 -6.963 -3.196 1.00 0.00 H new ATOM 287 N SER A 16 -4.847 -7.016 -4.995 1.00 0.00 N ATOM 288 CA SER A 16 -6.038 -6.200 -4.900 1.00 0.00 C ATOM 289 C SER A 16 -5.982 -5.296 -3.676 1.00 0.00 C ATOM 290 O SER A 16 -5.535 -5.705 -2.600 1.00 0.00 O ATOM 291 CB SER A 16 -7.267 -7.089 -4.839 1.00 0.00 C ATOM 292 OG SER A 16 -7.144 -8.139 -5.806 1.00 0.00 O ATOM 0 H SER A 16 -5.014 -8.021 -4.946 1.00 0.00 H new ATOM 0 HA SER A 16 -6.095 -5.567 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.375 -7.511 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.164 -6.502 -5.036 1.00 0.00 H new ATOM 0 HG SER A 16 -7.607 -8.939 -5.481 1.00 0.00 H new ATOM 298 N GLN A 17 -6.433 -4.066 -3.847 1.00 0.00 N ATOM 299 CA GLN A 17 -6.396 -3.086 -2.774 1.00 0.00 C ATOM 300 C GLN A 17 -7.307 -3.515 -1.628 1.00 0.00 C ATOM 301 O GLN A 17 -6.945 -3.416 -0.454 1.00 0.00 O ATOM 302 CB GLN A 17 -6.874 -1.727 -3.302 1.00 0.00 C ATOM 303 CG GLN A 17 -6.026 -1.283 -4.507 1.00 0.00 C ATOM 304 CD GLN A 17 -4.568 -1.112 -4.111 1.00 0.00 C ATOM 305 OE1 GLN A 17 -4.273 -0.761 -2.969 1.00 0.00 O ATOM 306 NE2 GLN A 17 -3.638 -1.333 -4.980 1.00 0.00 N ATOM 0 H GLN A 17 -6.830 -3.721 -4.721 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.371 -3.010 -2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.922 -1.793 -3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.809 -0.980 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.106 -2.021 -5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.412 -0.343 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.883 -1.624 -5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.659 -1.217 -4.720 1.00 0.00 H new ATOM 315 N SER A 18 -8.502 -3.939 -1.985 1.00 0.00 N ATOM 316 CA SER A 18 -9.521 -4.322 -1.023 1.00 0.00 C ATOM 317 C SER A 18 -9.129 -5.534 -0.186 1.00 0.00 C ATOM 318 O SER A 18 -9.507 -5.636 0.979 1.00 0.00 O ATOM 319 CB SER A 18 -10.845 -4.550 -1.744 1.00 0.00 C ATOM 320 OG SER A 18 -10.609 -4.525 -3.156 1.00 0.00 O ATOM 0 H SER A 18 -8.798 -4.029 -2.957 1.00 0.00 H new ATOM 0 HA SER A 18 -9.630 -3.500 -0.316 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.276 -5.507 -1.450 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.564 -3.779 -1.467 1.00 0.00 H new ATOM 0 HG SER A 18 -10.566 -3.596 -3.464 1.00 0.00 H new ATOM 326 N GLU A 19 -8.389 -6.453 -0.784 1.00 0.00 N ATOM 327 CA GLU A 19 -8.018 -7.692 -0.109 1.00 0.00 C ATOM 328 C GLU A 19 -7.238 -7.399 1.157 1.00 0.00 C ATOM 329 O GLU A 19 -7.457 -8.027 2.194 1.00 0.00 O ATOM 330 CB GLU A 19 -7.169 -8.551 -1.043 1.00 0.00 C ATOM 331 CG GLU A 19 -8.034 -9.066 -2.206 1.00 0.00 C ATOM 332 CD GLU A 19 -7.178 -9.795 -3.232 1.00 0.00 C ATOM 333 OE1 GLU A 19 -6.016 -10.009 -2.969 1.00 0.00 O ATOM 334 OE2 GLU A 19 -7.697 -10.121 -4.276 1.00 0.00 O ATOM 0 H GLU A 19 -8.032 -6.367 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.929 -8.228 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.333 -7.968 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.744 -9.391 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.803 -9.737 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.548 -8.230 -2.681 1.00 0.00 H new ATOM 341 N LEU A 20 -6.365 -6.414 1.084 1.00 0.00 N ATOM 342 CA LEU A 20 -5.561 -6.043 2.233 1.00 0.00 C ATOM 343 C LEU A 20 -6.475 -5.590 3.366 1.00 0.00 C ATOM 344 O LEU A 20 -6.348 -6.043 4.501 1.00 0.00 O ATOM 345 CB LEU A 20 -4.614 -4.903 1.837 1.00 0.00 C ATOM 346 CG LEU A 20 -3.553 -5.424 0.849 1.00 0.00 C ATOM 347 CD1 LEU A 20 -2.819 -4.246 0.221 1.00 0.00 C ATOM 348 CD2 LEU A 20 -2.535 -6.296 1.589 1.00 0.00 C ATOM 0 H LEU A 20 -6.194 -5.858 0.246 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.976 -6.899 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.180 -4.090 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.129 -4.496 2.724 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.049 -6.011 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.069 -4.616 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.531 -3.615 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.331 -3.663 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.788 -6.661 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.045 -5.706 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.046 -7.143 2.047 1.00 0.00 H new ATOM 360 N ALA A 21 -7.474 -4.794 3.023 1.00 0.00 N ATOM 361 CA ALA A 21 -8.498 -4.409 3.983 1.00 0.00 C ATOM 362 C ALA A 21 -9.408 -5.592 4.288 1.00 0.00 C ATOM 363 O ALA A 21 -9.881 -5.762 5.422 1.00 0.00 O ATOM 364 CB ALA A 21 -9.321 -3.236 3.460 1.00 0.00 C ATOM 0 H ALA A 21 -7.599 -4.402 2.090 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.002 -4.097 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.079 -2.967 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.667 -2.382 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.806 -3.520 2.526 1.00 0.00 H new ATOM 370 N ALA A 22 -9.693 -6.376 3.253 1.00 0.00 N ATOM 371 CA ALA A 22 -10.598 -7.512 3.365 1.00 0.00 C ATOM 372 C ALA A 22 -10.127 -8.474 4.424 1.00 0.00 C ATOM 373 O ALA A 22 -10.931 -9.147 5.047 1.00 0.00 O ATOM 374 CB ALA A 22 -10.741 -8.246 2.028 1.00 0.00 C ATOM 0 H ALA A 22 -9.305 -6.242 2.319 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.574 -7.120 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.423 -9.088 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.137 -7.561 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.765 -8.611 1.707 1.00 0.00 H new ATOM 380 N LEU A 23 -8.831 -8.519 4.654 1.00 0.00 N ATOM 381 CA LEU A 23 -8.301 -9.380 5.697 1.00 0.00 C ATOM 382 C LEU A 23 -8.847 -8.949 7.052 1.00 0.00 C ATOM 383 O LEU A 23 -9.188 -9.789 7.892 1.00 0.00 O ATOM 384 CB LEU A 23 -6.763 -9.353 5.705 1.00 0.00 C ATOM 385 CG LEU A 23 -6.220 -10.076 4.458 1.00 0.00 C ATOM 386 CD1 LEU A 23 -4.714 -9.845 4.342 1.00 0.00 C ATOM 387 CD2 LEU A 23 -6.487 -11.584 4.577 1.00 0.00 C ATOM 0 H LEU A 23 -8.132 -7.979 4.143 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.618 -10.403 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.409 -8.322 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.387 -9.834 6.608 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.721 -9.682 3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.334 -10.358 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.515 -8.777 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.217 -10.235 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.102 -12.093 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.989 -11.973 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.560 -11.758 4.657 1.00 0.00 H new ATOM 399 N LEU A 24 -8.921 -7.642 7.266 1.00 0.00 N ATOM 400 CA LEU A 24 -9.442 -7.111 8.522 1.00 0.00 C ATOM 401 C LEU A 24 -10.968 -7.219 8.576 1.00 0.00 C ATOM 402 O LEU A 24 -11.555 -7.263 9.659 1.00 0.00 O ATOM 403 CB LEU A 24 -9.036 -5.640 8.708 1.00 0.00 C ATOM 404 CG LEU A 24 -7.516 -5.479 8.546 1.00 0.00 C ATOM 405 CD1 LEU A 24 -7.106 -4.047 8.852 1.00 0.00 C ATOM 406 CD2 LEU A 24 -6.765 -6.441 9.463 1.00 0.00 C ATOM 0 H LEU A 24 -8.630 -6.933 6.593 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.013 -7.708 9.326 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.554 -5.018 7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.342 -5.294 9.695 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.257 -5.714 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.027 -3.944 8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.612 -3.369 8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.384 -3.800 9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.691 -6.307 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.030 -6.236 10.500 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.037 -7.467 9.215 1.00 0.00 H new ATOM 418 N GLU A 25 -11.602 -7.141 7.404 1.00 0.00 N ATOM 419 CA GLU A 25 -13.070 -7.091 7.295 1.00 0.00 C ATOM 420 C GLU A 25 -13.667 -5.987 8.180 1.00 0.00 C ATOM 421 O GLU A 25 -14.746 -6.151 8.750 1.00 0.00 O ATOM 422 CB GLU A 25 -13.730 -8.449 7.618 1.00 0.00 C ATOM 423 CG GLU A 25 -13.376 -9.474 6.535 1.00 0.00 C ATOM 424 CD GLU A 25 -14.097 -10.797 6.764 1.00 0.00 C ATOM 425 OE1 GLU A 25 -14.818 -10.916 7.734 1.00 0.00 O ATOM 426 OE2 GLU A 25 -13.927 -11.675 5.952 1.00 0.00 O ATOM 0 H GLU A 25 -11.120 -7.111 6.506 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.289 -6.855 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.392 -8.805 8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.812 -8.331 7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.643 -9.077 5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.299 -9.641 6.528 1.00 0.00 H new ATOM 433 N VAL A 26 -12.969 -4.861 8.280 1.00 0.00 N ATOM 434 CA VAL A 26 -13.442 -3.741 9.098 1.00 0.00 C ATOM 435 C VAL A 26 -13.411 -2.411 8.330 1.00 0.00 C ATOM 436 O VAL A 26 -13.054 -2.366 7.146 1.00 0.00 O ATOM 437 CB VAL A 26 -12.630 -3.632 10.402 1.00 0.00 C ATOM 438 CG1 VAL A 26 -12.808 -4.904 11.242 1.00 0.00 C ATOM 439 CG2 VAL A 26 -11.145 -3.435 10.083 1.00 0.00 C ATOM 0 H VAL A 26 -12.079 -4.696 7.810 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.482 -3.947 9.351 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.993 -2.774 10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.230 -4.817 12.162 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.862 -5.034 11.487 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.459 -5.767 10.675 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.580 -3.359 11.012 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.781 -4.285 9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.015 -2.521 9.504 1.00 0.00 H new ATOM 449 N SER A 27 -13.778 -1.338 9.027 1.00 0.00 N ATOM 450 CA SER A 27 -13.841 0.015 8.466 1.00 0.00 C ATOM 451 C SER A 27 -12.560 0.378 7.721 1.00 0.00 C ATOM 452 O SER A 27 -12.535 1.318 6.912 1.00 0.00 O ATOM 453 CB SER A 27 -14.104 1.019 9.584 1.00 0.00 C ATOM 454 OG SER A 27 -14.491 0.308 10.766 1.00 0.00 O ATOM 0 H SER A 27 -14.044 -1.381 10.011 1.00 0.00 H new ATOM 0 HA SER A 27 -14.658 0.046 7.745 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.209 1.611 9.777 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.889 1.715 9.289 1.00 0.00 H new ATOM 0 HG SER A 27 -13.690 0.034 11.260 1.00 0.00 H new ATOM 460 N ARG A 28 -11.520 -0.414 7.931 1.00 0.00 N ATOM 461 CA ARG A 28 -10.271 -0.220 7.221 1.00 0.00 C ATOM 462 C ARG A 28 -10.538 -0.254 5.728 1.00 0.00 C ATOM 463 O ARG A 28 -9.863 0.424 4.951 1.00 0.00 O ATOM 464 CB ARG A 28 -9.258 -1.313 7.601 1.00 0.00 C ATOM 465 CG ARG A 28 -8.772 -1.096 9.039 1.00 0.00 C ATOM 466 CD ARG A 28 -7.846 0.121 9.095 1.00 0.00 C ATOM 467 NE ARG A 28 -6.680 -0.083 8.227 1.00 0.00 N ATOM 468 CZ ARG A 28 -6.331 0.786 7.265 1.00 0.00 C ATOM 469 NH1 ARG A 28 -7.044 1.852 7.046 1.00 0.00 N ATOM 470 NH2 ARG A 28 -5.276 0.568 6.552 1.00 0.00 N ATOM 0 H ARG A 28 -11.519 -1.195 8.587 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.849 0.746 7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.719 -2.296 7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.412 -1.291 6.915 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.624 -0.947 9.702 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.245 -1.982 9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.388 1.013 8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.519 0.290 10.121 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.112 -0.919 8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.876 2.033 7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.771 2.506 6.313 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.710 -0.263 6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.010 1.227 5.821 1.00 0.00 H new ATOM 484 N GLN A 29 -11.570 -0.993 5.340 1.00 0.00 N ATOM 485 CA GLN A 29 -11.963 -1.073 3.942 1.00 0.00 C ATOM 486 C GLN A 29 -12.328 0.310 3.419 1.00 0.00 C ATOM 487 O GLN A 29 -11.984 0.667 2.290 1.00 0.00 O ATOM 488 CB GLN A 29 -13.198 -1.967 3.804 1.00 0.00 C ATOM 489 CG GLN A 29 -12.878 -3.415 4.170 1.00 0.00 C ATOM 490 CD GLN A 29 -14.160 -4.233 4.088 1.00 0.00 C ATOM 491 OE1 GLN A 29 -14.854 -4.199 3.065 1.00 0.00 O ATOM 492 NE2 GLN A 29 -14.537 -4.939 5.106 1.00 0.00 N ATOM 0 H GLN A 29 -12.148 -1.544 5.974 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.127 -1.481 3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.994 -1.594 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.570 -1.922 2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.127 -3.820 3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.460 -3.467 5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.963 -4.966 5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.408 -5.468 5.065 1.00 0.00 H new ATOM 501 N THR A 30 -13.097 1.049 4.207 1.00 0.00 N ATOM 502 CA THR A 30 -13.580 2.356 3.794 1.00 0.00 C ATOM 503 C THR A 30 -12.485 3.425 3.819 1.00 0.00 C ATOM 504 O THR A 30 -12.354 4.211 2.875 1.00 0.00 O ATOM 505 CB THR A 30 -14.795 2.766 4.643 1.00 0.00 C ATOM 506 OG1 THR A 30 -14.824 1.982 5.847 1.00 0.00 O ATOM 507 CG2 THR A 30 -16.081 2.516 3.847 1.00 0.00 C ATOM 0 H THR A 30 -13.399 0.763 5.138 1.00 0.00 H new ATOM 0 HA THR A 30 -13.895 2.276 2.753 1.00 0.00 H new ATOM 0 HB THR A 30 -14.720 3.824 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.997 2.128 6.352 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.943 2.806 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.062 3.106 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.154 1.458 3.596 1.00 0.00 H new ATOM 515 N ILE A 31 -11.674 3.433 4.870 1.00 0.00 N ATOM 516 CA ILE A 31 -10.607 4.427 4.972 1.00 0.00 C ATOM 517 C ILE A 31 -9.436 4.115 4.060 1.00 0.00 C ATOM 518 O ILE A 31 -8.641 4.998 3.745 1.00 0.00 O ATOM 519 CB ILE A 31 -10.146 4.665 6.415 1.00 0.00 C ATOM 520 CG1 ILE A 31 -9.696 3.357 7.063 1.00 0.00 C ATOM 521 CG2 ILE A 31 -11.283 5.278 7.227 1.00 0.00 C ATOM 522 CD1 ILE A 31 -8.996 3.671 8.391 1.00 0.00 C ATOM 0 H ILE A 31 -11.730 2.778 5.650 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.046 5.363 4.626 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.300 5.352 6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.554 2.707 7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.019 2.821 6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -10.950 5.445 8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -11.577 6.228 6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.136 4.599 7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.672 2.742 8.860 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.129 4.305 8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.689 4.189 9.054 1.00 0.00 H new ATOM 534 N ASN A 32 -9.340 2.878 3.594 1.00 0.00 N ATOM 535 CA ASN A 32 -8.256 2.545 2.679 1.00 0.00 C ATOM 536 C ASN A 32 -8.321 3.455 1.471 1.00 0.00 C ATOM 537 O ASN A 32 -7.299 3.900 0.971 1.00 0.00 O ATOM 538 CB ASN A 32 -8.277 1.075 2.245 1.00 0.00 C ATOM 539 CG ASN A 32 -6.873 0.650 1.806 1.00 0.00 C ATOM 540 OD1 ASN A 32 -6.716 -0.119 0.858 1.00 0.00 O ATOM 541 ND2 ASN A 32 -5.834 1.099 2.438 1.00 0.00 N ATOM 0 H ASN A 32 -9.974 2.112 3.823 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.317 2.697 3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.617 0.447 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.983 0.937 1.426 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.898 0.814 2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.952 1.737 3.225 1.00 0.00 H new ATOM 548 N GLY A 33 -9.536 3.820 1.076 1.00 0.00 N ATOM 549 CA GLY A 33 -9.716 4.798 0.009 1.00 0.00 C ATOM 550 C GLY A 33 -9.098 6.134 0.423 1.00 0.00 C ATOM 551 O GLY A 33 -8.351 6.753 -0.343 1.00 0.00 O ATOM 0 H GLY A 33 -10.403 3.458 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.249 4.439 -0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.777 4.928 -0.203 1.00 0.00 H new ATOM 555 N ILE A 34 -9.308 6.505 1.685 1.00 0.00 N ATOM 556 CA ILE A 34 -8.680 7.696 2.244 1.00 0.00 C ATOM 557 C ILE A 34 -7.173 7.508 2.256 1.00 0.00 C ATOM 558 O ILE A 34 -6.427 8.394 1.830 1.00 0.00 O ATOM 559 CB ILE A 34 -9.213 7.990 3.663 1.00 0.00 C ATOM 560 CG1 ILE A 34 -10.696 8.375 3.589 1.00 0.00 C ATOM 561 CG2 ILE A 34 -8.428 9.144 4.304 1.00 0.00 C ATOM 562 CD1 ILE A 34 -10.876 9.662 2.771 1.00 0.00 C ATOM 0 H ILE A 34 -9.907 5.998 2.337 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.928 8.556 1.621 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.091 7.093 4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.266 7.565 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.092 8.518 4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.817 9.338 5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.374 8.874 4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.535 10.040 3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.934 9.921 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.322 10.474 3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.500 9.506 1.760 1.00 0.00 H new ATOM 574 N GLU A 35 -6.734 6.316 2.662 1.00 0.00 N ATOM 575 CA GLU A 35 -5.319 5.982 2.615 1.00 0.00 C ATOM 576 C GLU A 35 -4.855 5.995 1.169 1.00 0.00 C ATOM 577 O GLU A 35 -3.692 6.244 0.882 1.00 0.00 O ATOM 578 CB GLU A 35 -5.029 4.595 3.225 1.00 0.00 C ATOM 579 CG GLU A 35 -5.256 4.593 4.751 1.00 0.00 C ATOM 580 CD GLU A 35 -4.928 3.215 5.319 1.00 0.00 C ATOM 581 OE1 GLU A 35 -5.348 2.231 4.734 1.00 0.00 O ATOM 582 OE2 GLU A 35 -4.252 3.145 6.327 1.00 0.00 O ATOM 0 H GLU A 35 -7.335 5.575 3.023 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.781 6.724 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.673 3.849 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.000 4.308 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.629 5.350 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.291 4.852 4.975 1.00 0.00 H new ATOM 589 N LYS A 36 -5.737 5.591 0.275 1.00 0.00 N ATOM 590 CA LYS A 36 -5.392 5.504 -1.125 1.00 0.00 C ATOM 591 C LYS A 36 -5.292 6.898 -1.730 1.00 0.00 C ATOM 592 O LYS A 36 -4.262 7.272 -2.284 1.00 0.00 O ATOM 593 CB LYS A 36 -6.482 4.730 -1.881 1.00 0.00 C ATOM 594 CG LYS A 36 -6.023 4.439 -3.321 1.00 0.00 C ATOM 595 CD LYS A 36 -7.247 4.372 -4.251 1.00 0.00 C ATOM 596 CE LYS A 36 -8.115 3.152 -3.919 1.00 0.00 C ATOM 597 NZ LYS A 36 -7.358 1.912 -4.202 1.00 0.00 N ATOM 0 H LYS A 36 -6.695 5.319 0.496 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.434 4.992 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.699 3.795 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.406 5.308 -1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.339 5.217 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.476 3.497 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.837 5.283 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.919 4.319 -5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.411 3.178 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.031 3.173 -4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.021 1.121 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.802 2.036 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.718 1.707 -3.408 1.00 0.00 H new ATOM 611 N ASN A 37 -6.381 7.646 -1.666 1.00 0.00 N ATOM 612 CA ASN A 37 -6.435 8.953 -2.314 1.00 0.00 C ATOM 613 C ASN A 37 -5.813 10.068 -1.488 1.00 0.00 C ATOM 614 O ASN A 37 -5.082 10.899 -2.024 1.00 0.00 O ATOM 615 CB ASN A 37 -7.877 9.313 -2.692 1.00 0.00 C ATOM 616 CG ASN A 37 -7.948 10.673 -3.405 1.00 0.00 C ATOM 617 OD1 ASN A 37 -9.037 11.144 -3.724 1.00 0.00 O ATOM 618 ND2 ASN A 37 -6.863 11.336 -3.677 1.00 0.00 N ATOM 0 H ASN A 37 -7.235 7.377 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.832 8.864 -3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.289 8.539 -3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.494 9.339 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.921 12.238 -4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.953 10.955 -3.417 1.00 0.00 H new ATOM 625 N LYS A 38 -6.242 10.187 -0.243 1.00 0.00 N ATOM 626 CA LYS A 38 -5.866 11.341 0.572 1.00 0.00 C ATOM 627 C LYS A 38 -4.628 11.064 1.424 1.00 0.00 C ATOM 628 O LYS A 38 -3.566 11.670 1.226 1.00 0.00 O ATOM 629 CB LYS A 38 -7.042 11.734 1.483 1.00 0.00 C ATOM 630 CG LYS A 38 -8.338 11.904 0.652 1.00 0.00 C ATOM 631 CD LYS A 38 -8.212 13.104 -0.301 1.00 0.00 C ATOM 632 CE LYS A 38 -9.509 13.264 -1.116 1.00 0.00 C ATOM 633 NZ LYS A 38 -10.688 13.264 -0.206 1.00 0.00 N ATOM 0 H LYS A 38 -6.844 9.510 0.226 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.624 12.160 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.190 10.970 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.812 12.664 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.532 10.997 0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.188 12.049 1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.015 14.013 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.366 12.959 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.478 14.194 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.597 12.452 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.445 13.845 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.029 12.290 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.414 13.657 0.717 1.00 0.00 H new ATOM 647 N TYR A 39 -4.774 10.154 2.364 1.00 0.00 N ATOM 648 CA TYR A 39 -3.702 9.806 3.287 1.00 0.00 C ATOM 649 C TYR A 39 -2.759 8.794 2.680 1.00 0.00 C ATOM 650 O TYR A 39 -2.920 8.386 1.527 1.00 0.00 O ATOM 651 CB TYR A 39 -4.282 9.243 4.601 1.00 0.00 C ATOM 652 CG TYR A 39 -4.533 10.361 5.589 1.00 0.00 C ATOM 653 CD1 TYR A 39 -5.684 11.144 5.491 1.00 0.00 C ATOM 654 CD2 TYR A 39 -3.609 10.603 6.614 1.00 0.00 C ATOM 655 CE1 TYR A 39 -5.912 12.169 6.414 1.00 0.00 C ATOM 656 CE2 TYR A 39 -3.838 11.630 7.534 1.00 0.00 C ATOM 657 CZ TYR A 39 -4.990 12.413 7.434 1.00 0.00 C ATOM 658 OH TYR A 39 -5.222 13.424 8.344 1.00 0.00 O ATOM 0 H TYR A 39 -5.637 9.632 2.514 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.143 10.718 3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.213 8.713 4.398 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.590 8.518 5.030 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.398 10.958 4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.719 9.996 6.693 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.804 12.774 6.338 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.124 11.818 8.322 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.485 13.460 8.988 1.00 0.00 H new ATOM 668 N ASN A 40 -1.835 8.338 3.500 1.00 0.00 N ATOM 669 CA ASN A 40 -0.939 7.255 3.159 1.00 0.00 C ATOM 670 C ASN A 40 -1.405 6.037 3.916 1.00 0.00 C ATOM 671 O ASN A 40 -1.996 6.174 4.990 1.00 0.00 O ATOM 672 CB ASN A 40 0.495 7.594 3.594 1.00 0.00 C ATOM 673 CG ASN A 40 0.562 7.780 5.108 1.00 0.00 C ATOM 674 OD1 ASN A 40 0.506 8.912 5.596 1.00 0.00 O ATOM 675 ND2 ASN A 40 0.664 6.743 5.885 1.00 0.00 N ATOM 0 H ASN A 40 -1.684 8.715 4.435 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.944 7.085 2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.173 6.797 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.828 8.504 3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.698 6.865 6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.710 5.807 5.483 1.00 0.00 H new ATOM 682 N PRO A 41 -1.150 4.859 3.429 1.00 0.00 N ATOM 683 CA PRO A 41 -1.562 3.653 4.197 1.00 0.00 C ATOM 684 C PRO A 41 -0.893 3.678 5.559 1.00 0.00 C ATOM 685 O PRO A 41 0.289 4.026 5.664 1.00 0.00 O ATOM 686 CB PRO A 41 -1.026 2.483 3.354 1.00 0.00 C ATOM 687 CG PRO A 41 -0.883 3.051 1.984 1.00 0.00 C ATOM 688 CD PRO A 41 -0.429 4.486 2.201 1.00 0.00 C ATOM 0 HA PRO A 41 -2.637 3.586 4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.071 2.122 3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.714 1.638 3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.155 2.491 1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.827 3.013 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.651 4.556 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.695 5.128 1.362 1.00 0.00 H new ATOM 696 N SER A 42 -1.627 3.324 6.590 1.00 0.00 N ATOM 697 CA SER A 42 -1.053 3.313 7.918 1.00 0.00 C ATOM 698 C SER A 42 -0.055 2.170 7.998 1.00 0.00 C ATOM 699 O SER A 42 -0.332 1.077 7.506 1.00 0.00 O ATOM 700 CB SER A 42 -2.161 3.146 8.948 1.00 0.00 C ATOM 701 OG SER A 42 -3.290 3.939 8.548 1.00 0.00 O ATOM 0 H SER A 42 -2.606 3.044 6.538 1.00 0.00 H new ATOM 0 HA SER A 42 -0.539 4.252 8.125 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.446 2.097 9.028 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.811 3.457 9.932 1.00 0.00 H new ATOM 0 HG SER A 42 -3.865 3.413 7.953 1.00 0.00 H new ATOM 707 N LEU A 43 1.136 2.444 8.501 1.00 0.00 N ATOM 708 CA LEU A 43 2.210 1.457 8.450 1.00 0.00 C ATOM 709 C LEU A 43 1.874 0.185 9.205 1.00 0.00 C ATOM 710 O LEU A 43 2.093 -0.906 8.685 1.00 0.00 O ATOM 711 CB LEU A 43 3.547 2.042 8.935 1.00 0.00 C ATOM 712 CG LEU A 43 4.265 2.781 7.783 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.796 1.769 6.765 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.314 3.766 7.086 1.00 0.00 C ATOM 0 H LEU A 43 1.386 3.328 8.944 1.00 0.00 H new ATOM 0 HA LEU A 43 2.319 1.187 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.371 2.730 9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.184 1.243 9.315 1.00 0.00 H new ATOM 0 HG LEU A 43 5.097 3.344 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.301 2.297 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.500 1.096 7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.965 1.192 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.843 4.273 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.463 3.222 6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.960 4.503 7.807 1.00 0.00 H new ATOM 726 N GLN A 44 1.297 0.301 10.391 1.00 0.00 N ATOM 727 CA GLN A 44 0.921 -0.910 11.129 1.00 0.00 C ATOM 728 C GLN A 44 -0.138 -1.662 10.357 1.00 0.00 C ATOM 729 O GLN A 44 -0.005 -2.849 10.082 1.00 0.00 O ATOM 730 CB GLN A 44 0.390 -0.601 12.547 1.00 0.00 C ATOM 731 CG GLN A 44 0.401 0.903 12.831 1.00 0.00 C ATOM 732 CD GLN A 44 -0.826 1.557 12.207 1.00 0.00 C ATOM 733 OE1 GLN A 44 -1.100 1.360 11.016 1.00 0.00 O ATOM 734 NE2 GLN A 44 -1.587 2.312 12.933 1.00 0.00 N ATOM 0 H GLN A 44 1.082 1.183 10.856 1.00 0.00 H new ATOM 0 HA GLN A 44 1.822 -1.513 11.239 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.625 -0.985 12.649 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.002 -1.117 13.287 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.410 1.079 13.907 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.308 1.352 12.427 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.359 2.473 13.914 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.414 2.746 12.524 1.00 0.00 H new ATOM 743 N LEU A 45 -1.171 -0.946 9.978 1.00 0.00 N ATOM 744 CA LEU A 45 -2.269 -1.527 9.237 1.00 0.00 C ATOM 745 C LEU A 45 -1.770 -2.041 7.907 1.00 0.00 C ATOM 746 O LEU A 45 -2.213 -3.078 7.427 1.00 0.00 O ATOM 747 CB LEU A 45 -3.352 -0.478 9.011 1.00 0.00 C ATOM 748 CG LEU A 45 -3.999 -0.115 10.358 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.843 1.150 10.209 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.895 -1.269 10.832 1.00 0.00 C ATOM 0 H LEU A 45 -1.275 0.050 10.173 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.688 -2.356 9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.922 0.411 8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.107 -0.860 8.324 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.211 0.061 11.091 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.297 1.399 11.168 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.209 1.974 9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.626 0.980 9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.351 -1.007 11.787 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.676 -1.450 10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.294 -2.170 10.952 1.00 0.00 H new ATOM 762 N ALA A 46 -0.904 -1.275 7.273 1.00 0.00 N ATOM 763 CA ALA A 46 -0.377 -1.659 5.982 1.00 0.00 C ATOM 764 C ALA A 46 0.615 -2.795 6.125 1.00 0.00 C ATOM 765 O ALA A 46 0.441 -3.848 5.525 1.00 0.00 O ATOM 766 CB ALA A 46 0.296 -0.470 5.287 1.00 0.00 C ATOM 0 H ALA A 46 -0.553 -0.387 7.631 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.214 -1.993 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.683 -0.786 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.433 0.328 5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.117 -0.105 5.904 1.00 0.00 H new ATOM 772 N LEU A 47 1.666 -2.570 6.907 1.00 0.00 N ATOM 773 CA LEU A 47 2.725 -3.558 7.044 1.00 0.00 C ATOM 774 C LEU A 47 2.244 -4.857 7.652 1.00 0.00 C ATOM 775 O LEU A 47 2.623 -5.934 7.189 1.00 0.00 O ATOM 776 CB LEU A 47 3.919 -3.013 7.838 1.00 0.00 C ATOM 777 CG LEU A 47 4.994 -4.116 7.971 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.414 -4.627 6.585 1.00 0.00 C ATOM 779 CD2 LEU A 47 6.219 -3.553 8.683 1.00 0.00 C ATOM 0 H LEU A 47 1.805 -1.718 7.451 1.00 0.00 H new ATOM 0 HA LEU A 47 3.054 -3.774 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.337 -2.141 7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.594 -2.686 8.826 1.00 0.00 H new ATOM 0 HG LEU A 47 4.574 -4.942 8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.171 -5.403 6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.546 -5.039 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.823 -3.802 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.976 -4.332 8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.624 -2.721 8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.934 -3.203 9.675 1.00 0.00 H new ATOM 791 N LYS A 48 1.455 -4.777 8.709 1.00 0.00 N ATOM 792 CA LYS A 48 1.043 -5.995 9.384 1.00 0.00 C ATOM 793 C LYS A 48 0.240 -6.861 8.429 1.00 0.00 C ATOM 794 O LYS A 48 0.514 -8.052 8.277 1.00 0.00 O ATOM 795 CB LYS A 48 0.230 -5.671 10.648 1.00 0.00 C ATOM 796 CG LYS A 48 1.112 -4.883 11.645 1.00 0.00 C ATOM 797 CD LYS A 48 2.240 -5.769 12.189 1.00 0.00 C ATOM 798 CE LYS A 48 3.303 -4.889 12.868 1.00 0.00 C ATOM 799 NZ LYS A 48 4.470 -4.729 11.956 1.00 0.00 N ATOM 0 H LYS A 48 1.096 -3.910 9.109 1.00 0.00 H new ATOM 0 HA LYS A 48 1.931 -6.545 9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.651 -5.086 10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.125 -6.592 11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.536 -4.009 11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.500 -4.518 12.470 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.839 -6.489 12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.691 -6.341 11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.882 -3.914 13.112 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.621 -5.343 13.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.190 -4.134 12.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.876 -5.663 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.160 -4.278 11.071 1.00 0.00 H new ATOM 813 N ILE A 49 -0.679 -6.239 7.711 1.00 0.00 N ATOM 814 CA ILE A 49 -1.406 -6.924 6.655 1.00 0.00 C ATOM 815 C ILE A 49 -0.448 -7.294 5.510 1.00 0.00 C ATOM 816 O ILE A 49 -0.547 -8.372 4.910 1.00 0.00 O ATOM 817 CB ILE A 49 -2.528 -6.017 6.127 1.00 0.00 C ATOM 818 CG1 ILE A 49 -3.579 -5.809 7.216 1.00 0.00 C ATOM 819 CG2 ILE A 49 -3.208 -6.656 4.913 1.00 0.00 C ATOM 820 CD1 ILE A 49 -4.573 -4.745 6.755 1.00 0.00 C ATOM 0 H ILE A 49 -0.940 -5.261 7.839 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.843 -7.838 7.057 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.088 -5.062 5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.098 -6.745 7.421 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.101 -5.500 8.146 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.000 -6.000 4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.473 -6.807 4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.635 -7.617 5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.326 -4.592 7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.045 -3.809 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.058 -5.074 5.836 1.00 0.00 H new ATOM 832 N ALA A 50 0.398 -6.331 5.139 1.00 0.00 N ATOM 833 CA ALA A 50 1.284 -6.470 3.986 1.00 0.00 C ATOM 834 C ALA A 50 2.332 -7.539 4.187 1.00 0.00 C ATOM 835 O ALA A 50 2.638 -8.270 3.253 1.00 0.00 O ATOM 836 CB ALA A 50 1.984 -5.141 3.681 1.00 0.00 C ATOM 0 H ALA A 50 0.487 -5.440 5.627 1.00 0.00 H new ATOM 0 HA ALA A 50 0.653 -6.765 3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.640 -5.265 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.237 -4.378 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.574 -4.834 4.545 1.00 0.00 H new ATOM 842 N TYR A 51 2.961 -7.527 5.367 1.00 0.00 N ATOM 843 CA TYR A 51 4.126 -8.368 5.691 1.00 0.00 C ATOM 844 C TYR A 51 4.934 -8.789 4.454 1.00 0.00 C ATOM 845 O TYR A 51 5.975 -8.198 4.157 1.00 0.00 O ATOM 846 CB TYR A 51 3.766 -9.563 6.609 1.00 0.00 C ATOM 847 CG TYR A 51 2.852 -10.546 5.912 1.00 0.00 C ATOM 848 CD1 TYR A 51 1.473 -10.313 5.871 1.00 0.00 C ATOM 849 CD2 TYR A 51 3.385 -11.698 5.323 1.00 0.00 C ATOM 850 CE1 TYR A 51 0.627 -11.230 5.240 1.00 0.00 C ATOM 851 CE2 TYR A 51 2.541 -12.610 4.689 1.00 0.00 C ATOM 852 CZ TYR A 51 1.161 -12.378 4.647 1.00 0.00 C ATOM 853 OH TYR A 51 0.331 -13.290 4.028 1.00 0.00 O ATOM 0 H TYR A 51 2.673 -6.925 6.138 1.00 0.00 H new ATOM 0 HA TYR A 51 4.794 -7.731 6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.679 -10.072 6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.283 -9.195 7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.062 -9.424 6.327 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.449 -11.881 5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.438 -11.052 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.953 -13.497 4.230 1.00 0.00 H new ATOM 0 HH TYR A 51 0.866 -14.028 3.668 1.00 0.00 H new ATOM 863 N TYR A 52 4.410 -9.727 3.691 1.00 0.00 N ATOM 864 CA TYR A 52 5.029 -10.136 2.444 1.00 0.00 C ATOM 865 C TYR A 52 4.999 -8.999 1.419 1.00 0.00 C ATOM 866 O TYR A 52 6.010 -8.320 1.207 1.00 0.00 O ATOM 867 CB TYR A 52 4.317 -11.392 1.908 1.00 0.00 C ATOM 868 CG TYR A 52 4.695 -11.672 0.468 1.00 0.00 C ATOM 869 CD1 TYR A 52 5.999 -12.049 0.136 1.00 0.00 C ATOM 870 CD2 TYR A 52 3.728 -11.560 -0.531 1.00 0.00 C ATOM 871 CE1 TYR A 52 6.333 -12.313 -1.192 1.00 0.00 C ATOM 872 CE2 TYR A 52 4.059 -11.827 -1.856 1.00 0.00 C ATOM 873 CZ TYR A 52 5.360 -12.203 -2.188 1.00 0.00 C ATOM 874 OH TYR A 52 5.682 -12.467 -3.501 1.00 0.00 O ATOM 0 H TYR A 52 3.549 -10.225 3.915 1.00 0.00 H new ATOM 0 HA TYR A 52 6.076 -10.377 2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.577 -12.251 2.527 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.238 -11.260 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.749 -12.136 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.721 -11.266 -0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.341 -12.602 -1.450 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.308 -11.743 -2.627 1.00 0.00 H new ATOM 0 HH TYR A 52 6.610 -12.203 -3.670 1.00 0.00 H new ATOM 884 N LEU A 53 3.826 -8.770 0.822 1.00 0.00 N ATOM 885 CA LEU A 53 3.616 -7.711 -0.186 1.00 0.00 C ATOM 886 C LEU A 53 4.744 -7.634 -1.230 1.00 0.00 C ATOM 887 O LEU A 53 4.779 -6.709 -2.036 1.00 0.00 O ATOM 888 CB LEU A 53 3.419 -6.343 0.482 1.00 0.00 C ATOM 889 CG LEU A 53 2.284 -5.582 -0.232 1.00 0.00 C ATOM 890 CD1 LEU A 53 0.939 -5.925 0.415 1.00 0.00 C ATOM 891 CD2 LEU A 53 2.521 -4.075 -0.138 1.00 0.00 C ATOM 0 H LEU A 53 2.986 -9.314 1.021 1.00 0.00 H new ATOM 0 HA LEU A 53 2.706 -7.984 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.177 -6.473 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.343 -5.767 0.435 1.00 0.00 H new ATOM 0 HG LEU A 53 2.270 -5.879 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.142 -5.384 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.759 -6.997 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.958 -5.639 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.713 -3.547 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.548 -3.776 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.471 -3.826 -0.611 1.00 0.00 H new ATOM 903 N ASN A 54 5.655 -8.596 -1.200 1.00 0.00 N ATOM 904 CA ASN A 54 6.779 -8.673 -2.144 1.00 0.00 C ATOM 905 C ASN A 54 7.387 -7.312 -2.470 1.00 0.00 C ATOM 906 O ASN A 54 7.901 -7.108 -3.577 1.00 0.00 O ATOM 907 CB ASN A 54 6.369 -9.365 -3.437 1.00 0.00 C ATOM 908 CG ASN A 54 7.586 -10.051 -4.036 1.00 0.00 C ATOM 909 OD1 ASN A 54 7.663 -11.281 -4.052 1.00 0.00 O ATOM 910 ND2 ASN A 54 8.549 -9.338 -4.506 1.00 0.00 N ATOM 0 H ASN A 54 5.642 -9.354 -0.518 1.00 0.00 H new ATOM 0 HA ASN A 54 7.544 -9.262 -1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.583 -10.095 -3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.961 -8.639 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.377 -9.791 -4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.484 -8.320 -4.492 1.00 0.00 H new ATOM 917 N THR A 55 7.391 -6.414 -1.509 1.00 0.00 N ATOM 918 CA THR A 55 7.997 -5.106 -1.702 1.00 0.00 C ATOM 919 C THR A 55 8.452 -4.542 -0.363 1.00 0.00 C ATOM 920 O THR A 55 7.627 -4.297 0.524 1.00 0.00 O ATOM 921 CB THR A 55 6.991 -4.144 -2.365 1.00 0.00 C ATOM 922 OG1 THR A 55 6.048 -4.888 -3.130 1.00 0.00 O ATOM 923 CG2 THR A 55 7.732 -3.162 -3.285 1.00 0.00 C ATOM 0 H THR A 55 6.983 -6.561 -0.586 1.00 0.00 H new ATOM 0 HA THR A 55 8.862 -5.213 -2.356 1.00 0.00 H new ATOM 0 HB THR A 55 6.470 -3.585 -1.587 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.361 -5.255 -2.535 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.014 -2.486 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.448 -2.585 -2.700 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.261 -3.717 -4.060 1.00 0.00 H new ATOM 931 N PRO A 56 9.738 -4.381 -0.169 1.00 0.00 N ATOM 932 CA PRO A 56 10.254 -3.850 1.127 1.00 0.00 C ATOM 933 C PRO A 56 9.760 -2.426 1.385 1.00 0.00 C ATOM 934 O PRO A 56 9.978 -1.528 0.561 1.00 0.00 O ATOM 935 CB PRO A 56 11.780 -3.862 0.941 1.00 0.00 C ATOM 936 CG PRO A 56 12.021 -4.859 -0.142 1.00 0.00 C ATOM 937 CD PRO A 56 10.845 -4.704 -1.091 1.00 0.00 C ATOM 0 HA PRO A 56 9.917 -4.440 1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.153 -2.876 0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.289 -4.147 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 56 12.966 -4.668 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.074 -5.871 0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 56 11.012 -3.911 -1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.653 -5.618 -1.653 1.00 0.00 H new ATOM 945 N LEU A 57 9.253 -2.190 2.583 1.00 0.00 N ATOM 946 CA LEU A 57 8.914 -0.841 3.018 1.00 0.00 C ATOM 947 C LEU A 57 10.181 -0.051 3.255 1.00 0.00 C ATOM 948 O LEU A 57 10.227 1.163 3.056 1.00 0.00 O ATOM 949 CB LEU A 57 8.046 -0.856 4.279 1.00 0.00 C ATOM 950 CG LEU A 57 6.685 -1.502 3.971 1.00 0.00 C ATOM 951 CD1 LEU A 57 5.851 -1.564 5.247 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.937 -0.679 2.917 1.00 0.00 C ATOM 0 H LEU A 57 9.066 -2.915 3.275 1.00 0.00 H new ATOM 0 HA LEU A 57 8.332 -0.364 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.550 -1.410 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.901 0.161 4.643 1.00 0.00 H new ATOM 0 HG LEU A 57 6.850 -2.509 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.886 -2.022 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.374 -2.159 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.696 -0.555 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.975 -1.146 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.776 0.332 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.528 -0.637 2.002 1.00 0.00 H new ATOM 964 N GLU A 58 11.189 -0.750 3.739 1.00 0.00 N ATOM 965 CA GLU A 58 12.464 -0.142 4.075 1.00 0.00 C ATOM 966 C GLU A 58 13.027 0.543 2.848 1.00 0.00 C ATOM 967 O GLU A 58 13.525 1.667 2.923 1.00 0.00 O ATOM 968 CB GLU A 58 13.470 -1.195 4.607 1.00 0.00 C ATOM 969 CG GLU A 58 12.983 -2.632 4.321 1.00 0.00 C ATOM 970 CD GLU A 58 11.749 -2.969 5.132 1.00 0.00 C ATOM 971 OE1 GLU A 58 11.752 -2.729 6.317 1.00 0.00 O ATOM 972 OE2 GLU A 58 10.807 -3.448 4.543 1.00 0.00 O ATOM 0 H GLU A 58 11.149 -1.755 3.911 1.00 0.00 H new ATOM 0 HA GLU A 58 12.302 0.589 4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.443 -1.039 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.606 -1.062 5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.762 -2.738 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.778 -3.340 4.554 1.00 0.00 H new ATOM 979 N ASP A 59 12.855 -0.111 1.706 1.00 0.00 N ATOM 980 CA ASP A 59 13.231 0.462 0.424 1.00 0.00 C ATOM 981 C ASP A 59 12.419 1.718 0.149 1.00 0.00 C ATOM 982 O ASP A 59 12.952 2.735 -0.278 1.00 0.00 O ATOM 983 CB ASP A 59 12.985 -0.554 -0.690 1.00 0.00 C ATOM 984 CG ASP A 59 13.228 0.086 -2.038 1.00 0.00 C ATOM 985 OD1 ASP A 59 14.368 0.359 -2.354 1.00 0.00 O ATOM 986 OD2 ASP A 59 12.268 0.306 -2.737 1.00 0.00 O ATOM 0 H ASP A 59 12.454 -1.047 1.644 1.00 0.00 H new ATOM 0 HA ASP A 59 14.289 0.721 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.644 -1.413 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.962 -0.926 -0.634 1.00 0.00 H new ATOM 991 N ILE A 60 11.127 1.634 0.401 1.00 0.00 N ATOM 992 CA ILE A 60 10.233 2.766 0.214 1.00 0.00 C ATOM 993 C ILE A 60 10.596 3.894 1.184 1.00 0.00 C ATOM 994 O ILE A 60 10.455 5.070 0.862 1.00 0.00 O ATOM 995 CB ILE A 60 8.762 2.332 0.409 1.00 0.00 C ATOM 996 CG1 ILE A 60 8.357 1.370 -0.712 1.00 0.00 C ATOM 997 CG2 ILE A 60 7.836 3.553 0.361 1.00 0.00 C ATOM 998 CD1 ILE A 60 6.982 0.770 -0.407 1.00 0.00 C ATOM 0 H ILE A 60 10.668 0.788 0.738 1.00 0.00 H new ATOM 0 HA ILE A 60 10.347 3.136 -0.805 1.00 0.00 H new ATOM 0 HB ILE A 60 8.671 1.842 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.330 1.898 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.098 0.576 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.804 3.232 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.110 4.249 1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.936 4.047 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.698 0.086 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.023 0.227 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.244 1.569 -0.334 1.00 0.00 H new ATOM 1010 N PHE A 61 10.868 3.511 2.420 1.00 0.00 N ATOM 1011 CA PHE A 61 11.068 4.449 3.529 1.00 0.00 C ATOM 1012 C PHE A 61 12.183 5.465 3.239 1.00 0.00 C ATOM 1013 O PHE A 61 13.083 5.213 2.436 1.00 0.00 O ATOM 1014 CB PHE A 61 11.385 3.662 4.818 1.00 0.00 C ATOM 1015 CG PHE A 61 10.995 4.459 6.050 1.00 0.00 C ATOM 1016 CD1 PHE A 61 9.674 4.899 6.216 1.00 0.00 C ATOM 1017 CD2 PHE A 61 11.950 4.750 7.028 1.00 0.00 C ATOM 1018 CE1 PHE A 61 9.317 5.627 7.357 1.00 0.00 C ATOM 1019 CE2 PHE A 61 11.592 5.479 8.166 1.00 0.00 C ATOM 1020 CZ PHE A 61 10.276 5.918 8.331 1.00 0.00 C ATOM 0 H PHE A 61 10.959 2.532 2.692 1.00 0.00 H new ATOM 0 HA PHE A 61 10.146 5.016 3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.850 2.713 4.810 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.449 3.428 4.853 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.932 4.676 5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.968 4.411 6.904 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.299 5.964 7.485 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.334 5.703 8.918 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.000 6.481 9.210 1.00 0.00 H new ATOM 1030 N GLN A 62 12.138 6.591 3.949 1.00 0.00 N ATOM 1031 CA GLN A 62 13.148 7.660 3.849 1.00 0.00 C ATOM 1032 C GLN A 62 13.161 8.302 2.475 1.00 0.00 C ATOM 1033 O GLN A 62 12.986 9.520 2.344 1.00 0.00 O ATOM 1034 CB GLN A 62 14.563 7.143 4.180 1.00 0.00 C ATOM 1035 CG GLN A 62 14.513 6.140 5.341 1.00 0.00 C ATOM 1036 CD GLN A 62 15.179 4.838 4.925 1.00 0.00 C ATOM 1037 OE1 GLN A 62 15.906 4.228 5.708 1.00 0.00 O ATOM 1038 NE2 GLN A 62 14.970 4.364 3.739 1.00 0.00 N ATOM 0 H GLN A 62 11.395 6.795 4.618 1.00 0.00 H new ATOM 0 HA GLN A 62 12.864 8.412 4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.998 6.668 3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.210 7.980 4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.017 6.555 6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.478 5.954 5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.368 4.867 3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.407 3.487 3.456 1.00 0.00 H new ATOM 1047 N TRP A 63 13.460 7.505 1.474 1.00 0.00 N ATOM 1048 CA TRP A 63 13.586 7.991 0.111 1.00 0.00 C ATOM 1049 C TRP A 63 12.256 7.860 -0.607 1.00 0.00 C ATOM 1050 O TRP A 63 11.206 7.765 0.032 1.00 0.00 O ATOM 1051 CB TRP A 63 14.676 7.193 -0.636 1.00 0.00 C ATOM 1052 CG TRP A 63 15.752 6.773 0.324 1.00 0.00 C ATOM 1053 CD1 TRP A 63 16.643 7.603 0.911 1.00 0.00 C ATOM 1054 CD2 TRP A 63 16.053 5.436 0.821 1.00 0.00 C ATOM 1055 NE1 TRP A 63 17.472 6.855 1.731 1.00 0.00 N ATOM 1056 CE2 TRP A 63 17.146 5.518 1.708 1.00 0.00 C ATOM 1057 CE3 TRP A 63 15.487 4.175 0.588 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 17.661 4.390 2.342 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 16.001 3.031 1.225 1.00 0.00 C ATOM 1060 CH2 TRP A 63 17.089 3.141 2.101 1.00 0.00 C ATOM 0 H TRP A 63 13.623 6.503 1.577 1.00 0.00 H new ATOM 0 HA TRP A 63 13.874 9.042 0.132 1.00 0.00 H new ATOM 0 HB2 TRP A 63 14.236 6.315 -1.109 1.00 0.00 H new ATOM 0 HB3 TRP A 63 15.104 7.803 -1.431 1.00 0.00 H new ATOM 0 HD1 TRP A 63 16.699 8.672 0.765 1.00 0.00 H new ATOM 0 HE1 TRP A 63 18.233 7.248 2.285 1.00 0.00 H new ATOM 0 HE3 TRP A 63 14.649 4.081 -0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 18.499 4.482 3.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 15.556 2.065 1.038 1.00 0.00 H new ATOM 0 HH2 TRP A 63 17.483 2.261 2.588 1.00 0.00 H new ATOM 1071 N GLN A 64 12.306 7.785 -1.924 1.00 0.00 N ATOM 1072 CA GLN A 64 11.119 7.565 -2.727 1.00 0.00 C ATOM 1073 C GLN A 64 11.425 6.566 -3.831 1.00 0.00 C ATOM 1074 O GLN A 64 12.351 6.768 -4.615 1.00 0.00 O ATOM 1075 CB GLN A 64 10.619 8.883 -3.335 1.00 0.00 C ATOM 1076 CG GLN A 64 10.001 9.759 -2.238 1.00 0.00 C ATOM 1077 CD GLN A 64 10.981 10.843 -1.813 1.00 0.00 C ATOM 1078 OE1 GLN A 64 11.427 10.864 -0.662 1.00 0.00 O ATOM 1079 NE2 GLN A 64 11.346 11.744 -2.668 1.00 0.00 N ATOM 0 H GLN A 64 13.166 7.874 -2.464 1.00 0.00 H new ATOM 0 HA GLN A 64 10.334 7.166 -2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 64 11.445 9.410 -3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.880 8.680 -4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.080 10.214 -2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.734 9.144 -1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.976 11.725 -3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.003 12.473 -2.391 1.00 0.00 H new ATOM 1088 N PRO A 65 10.677 5.501 -3.917 1.00 0.00 N ATOM 1089 CA PRO A 65 10.906 4.463 -4.964 1.00 0.00 C ATOM 1090 C PRO A 65 10.515 4.990 -6.342 1.00 0.00 C ATOM 1091 O PRO A 65 9.808 4.325 -7.102 1.00 0.00 O ATOM 1092 CB PRO A 65 9.987 3.316 -4.531 1.00 0.00 C ATOM 1093 CG PRO A 65 8.861 3.991 -3.820 1.00 0.00 C ATOM 1094 CD PRO A 65 9.477 5.201 -3.111 1.00 0.00 C ATOM 0 HA PRO A 65 11.950 4.161 -5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 65 9.631 2.747 -5.389 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.507 2.615 -3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.087 4.302 -4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.391 3.317 -3.104 1.00 0.00 H new ATOM 0 HD2 PRO A 65 8.788 6.046 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 65 9.735 4.971 -2.077 1.00 0.00 H new ATOM 1102 N GLU A 66 10.937 6.209 -6.630 1.00 0.00 N ATOM 1103 CA GLU A 66 10.614 6.868 -7.881 1.00 0.00 C ATOM 1104 C GLU A 66 11.891 7.275 -8.600 1.00 0.00 C ATOM 1105 O GLU A 66 12.837 7.622 -7.930 1.00 0.00 O ATOM 1106 CB GLU A 66 9.757 8.104 -7.601 1.00 0.00 C ATOM 1107 CG GLU A 66 8.389 7.659 -7.053 1.00 0.00 C ATOM 1108 CD GLU A 66 7.549 8.855 -6.635 1.00 0.00 C ATOM 1109 OE1 GLU A 66 8.035 9.966 -6.716 1.00 0.00 O ATOM 1110 OE2 GLU A 66 6.427 8.645 -6.228 1.00 0.00 O ATOM 1111 OXT GLU A 66 11.909 7.234 -9.803 1.00 0.00 O ATOM 0 H GLU A 66 11.513 6.769 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 66 10.057 6.179 -8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.257 8.752 -6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.625 8.684 -8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.858 7.087 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.534 6.997 -6.199 1.00 0.00 H new TER 1118 GLU A 66