USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 1 MET N :NH3+ 171:sc= 2.45 (180deg=1.25) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 60 GLN : amide:sc= 1.17 K(o=3.6,f=-13!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 170:sc= 2.03 (180deg=1.09) USER MOD Set 2.2: A 23 TYR OH : rot 30:sc= 0.467 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0513) USER MOD Single : A 5 LYS NZ :NH3+ 152:sc= 2.98 (180deg=2.27) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 1.05 (180deg=0.831) USER MOD Single : A 13 TYR OH : rot 80:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 1.14 (180deg=1.04) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.652 K(o=-0.65,f=-0.07) USER MOD Single : A 33 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.08) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.13) USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= 1.05 (180deg=0.921) USER MOD Single : A 59 ASN : amide:sc= 0.979 K(o=0.98,f=-4.7!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.740 -37.538 -8.787 1.00 0.00 N ATOM 2 CA MET A 1 21.560 -38.733 -8.987 1.00 0.00 C ATOM 3 C MET A 1 20.755 -40.036 -9.205 1.00 0.00 C ATOM 4 O MET A 1 21.114 -40.828 -10.083 1.00 0.00 O ATOM 5 CB MET A 1 22.501 -38.851 -7.760 1.00 0.00 C ATOM 6 CG MET A 1 23.596 -39.936 -7.887 1.00 0.00 C ATOM 7 SD MET A 1 24.691 -39.982 -6.444 1.00 0.00 S ATOM 8 CE MET A 1 25.999 -38.850 -6.981 1.00 0.00 C ATOM 0 H1 MET A 1 21.347 -36.744 -8.499 1.00 0.00 H new ATOM 0 H2 MET A 1 20.254 -37.298 -9.675 1.00 0.00 H new ATOM 0 H3 MET A 1 20.035 -37.721 -8.045 1.00 0.00 H new ATOM 0 HA MET A 1 22.119 -38.613 -9.915 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.982 -37.887 -7.594 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.899 -39.063 -6.877 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.125 -40.911 -8.014 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.188 -39.749 -8.783 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.754 -38.770 -6.199 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.459 -39.232 -7.892 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.572 -37.866 -7.175 1.00 0.00 H new ATOM 20 N LEU A 2 19.666 -40.275 -8.453 1.00 0.00 N ATOM 21 CA LEU A 2 18.901 -41.534 -8.467 1.00 0.00 C ATOM 22 C LEU A 2 18.055 -41.801 -9.745 1.00 0.00 C ATOM 23 O LEU A 2 16.817 -41.848 -9.761 1.00 0.00 O ATOM 24 CB LEU A 2 18.043 -41.625 -7.161 1.00 0.00 C ATOM 25 CG LEU A 2 18.701 -42.149 -5.849 1.00 0.00 C ATOM 26 CD1 LEU A 2 19.147 -43.619 -5.956 1.00 0.00 C ATOM 27 CD2 LEU A 2 19.869 -41.290 -5.338 1.00 0.00 C ATOM 0 H LEU A 2 19.286 -39.584 -7.806 1.00 0.00 H new ATOM 0 HA LEU A 2 19.637 -42.337 -8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 2 17.653 -40.628 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 2 17.187 -42.265 -7.376 1.00 0.00 H new ATOM 0 HG LEU A 2 17.902 -42.073 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 2 19.598 -43.932 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 2 18.282 -44.247 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 2 19.877 -43.720 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 2 20.268 -41.726 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 2 20.653 -41.255 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 2 19.515 -40.279 -5.134 1.00 0.00 H new ATOM 39 N GLN A 3 18.800 -42.023 -10.835 1.00 0.00 N ATOM 40 CA GLN A 3 18.294 -42.452 -12.146 1.00 0.00 C ATOM 41 C GLN A 3 17.557 -43.809 -12.128 1.00 0.00 C ATOM 42 O GLN A 3 16.636 -44.037 -12.917 1.00 0.00 O ATOM 43 CB GLN A 3 19.497 -42.492 -13.119 1.00 0.00 C ATOM 44 CG GLN A 3 20.052 -41.069 -13.425 1.00 0.00 C ATOM 45 CD GLN A 3 21.565 -41.093 -13.636 1.00 0.00 C ATOM 46 OE1 GLN A 3 22.067 -41.134 -14.750 1.00 0.00 O ATOM 47 NE2 GLN A 3 22.349 -41.062 -12.574 1.00 0.00 N ATOM 0 H GLN A 3 19.813 -41.904 -10.828 1.00 0.00 H new ATOM 0 HA GLN A 3 17.539 -41.735 -12.468 1.00 0.00 H new ATOM 0 HB2 GLN A 3 20.290 -43.105 -12.690 1.00 0.00 H new ATOM 0 HB3 GLN A 3 19.193 -42.970 -14.050 1.00 0.00 H new ATOM 0 HG2 GLN A 3 19.565 -40.671 -14.315 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.809 -40.397 -12.602 1.00 0.00 H new ATOM 0 HE21 GLN A 3 21.941 -41.028 -11.640 1.00 0.00 H new ATOM 0 HE22 GLN A 3 23.363 -41.072 -12.688 1.00 0.00 H new ATOM 56 N LYS A 4 17.967 -44.694 -11.206 1.00 0.00 N ATOM 57 CA LYS A 4 17.274 -45.947 -10.900 1.00 0.00 C ATOM 58 C LYS A 4 15.825 -45.718 -10.427 1.00 0.00 C ATOM 59 O LYS A 4 14.915 -46.354 -10.957 1.00 0.00 O ATOM 60 CB LYS A 4 18.074 -46.732 -9.821 1.00 0.00 C ATOM 61 CG LYS A 4 19.494 -47.194 -10.238 1.00 0.00 C ATOM 62 CD LYS A 4 19.489 -48.327 -11.293 1.00 0.00 C ATOM 63 CE LYS A 4 20.890 -48.821 -11.677 1.00 0.00 C ATOM 64 NZ LYS A 4 21.469 -49.560 -10.562 1.00 0.00 N ATOM 0 H LYS A 4 18.806 -44.552 -10.644 1.00 0.00 H new ATOM 0 HA LYS A 4 17.219 -46.528 -11.820 1.00 0.00 H new ATOM 0 HB2 LYS A 4 18.162 -46.105 -8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 4 17.496 -47.611 -9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.043 -46.340 -10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.031 -47.535 -9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.911 -49.167 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.980 -47.974 -12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.833 -49.459 -12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.527 -47.975 -11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.365 -49.994 -10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.647 -48.910 -9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.808 -50.304 -10.258 1.00 0.00 H new ATOM 78 N LYS A 5 15.595 -44.804 -9.469 1.00 0.00 N ATOM 79 CA LYS A 5 14.250 -44.425 -9.021 1.00 0.00 C ATOM 80 C LYS A 5 13.426 -43.708 -10.106 1.00 0.00 C ATOM 81 O LYS A 5 12.224 -43.978 -10.194 1.00 0.00 O ATOM 82 CB LYS A 5 14.311 -43.573 -7.731 1.00 0.00 C ATOM 83 CG LYS A 5 14.691 -44.339 -6.440 1.00 0.00 C ATOM 84 CD LYS A 5 13.667 -45.383 -5.910 1.00 0.00 C ATOM 85 CE LYS A 5 12.307 -44.839 -5.428 1.00 0.00 C ATOM 86 NZ LYS A 5 11.348 -44.836 -6.533 1.00 0.00 N ATOM 0 H LYS A 5 16.342 -44.307 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 5 13.732 -45.359 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.033 -42.770 -7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.339 -43.104 -7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.637 -44.852 -6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.867 -43.607 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.481 -46.109 -6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.129 -45.923 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.930 -45.453 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.428 -43.828 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.384 -44.938 -6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.423 -43.940 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.554 -45.629 -7.174 1.00 0.00 H new ATOM 100 N ILE A 6 14.049 -42.833 -10.928 1.00 0.00 N ATOM 101 CA ILE A 6 13.413 -42.284 -12.142 1.00 0.00 C ATOM 102 C ILE A 6 12.872 -43.404 -13.042 1.00 0.00 C ATOM 103 O ILE A 6 11.676 -43.399 -13.336 1.00 0.00 O ATOM 104 CB ILE A 6 14.378 -41.340 -12.974 1.00 0.00 C ATOM 105 CG1 ILE A 6 14.679 -40.030 -12.201 1.00 0.00 C ATOM 106 CG2 ILE A 6 13.866 -41.024 -14.422 1.00 0.00 C ATOM 107 CD1 ILE A 6 15.702 -39.068 -12.858 1.00 0.00 C ATOM 0 H ILE A 6 14.997 -42.492 -10.769 1.00 0.00 H new ATOM 0 HA ILE A 6 12.582 -41.672 -11.793 1.00 0.00 H new ATOM 0 HB ILE A 6 15.303 -41.903 -13.099 1.00 0.00 H new ATOM 0 HG12 ILE A 6 13.742 -39.491 -12.062 1.00 0.00 H new ATOM 0 HG13 ILE A 6 15.045 -40.294 -11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 6 14.580 -40.373 -14.927 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.763 -41.953 -14.982 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.898 -40.525 -14.365 1.00 0.00 H new ATOM 0 HD11 ILE A 6 15.831 -38.188 -12.227 1.00 0.00 H new ATOM 0 HD12 ILE A 6 16.659 -39.577 -12.971 1.00 0.00 H new ATOM 0 HD13 ILE A 6 15.336 -38.761 -13.838 1.00 0.00 H new ATOM 119 N GLU A 7 13.704 -44.370 -13.463 1.00 0.00 N ATOM 120 CA GLU A 7 13.218 -45.476 -14.287 1.00 0.00 C ATOM 121 C GLU A 7 12.310 -46.454 -13.521 1.00 0.00 C ATOM 122 O GLU A 7 11.375 -46.944 -14.142 1.00 0.00 O ATOM 123 CB GLU A 7 14.360 -46.203 -15.050 1.00 0.00 C ATOM 124 CG GLU A 7 14.196 -46.140 -16.612 1.00 0.00 C ATOM 125 CD GLU A 7 12.932 -46.826 -17.158 1.00 0.00 C ATOM 126 OE1 GLU A 7 12.892 -48.052 -17.185 1.00 0.00 O ATOM 127 OE2 GLU A 7 12.016 -46.119 -17.593 1.00 0.00 O ATOM 0 H GLU A 7 14.700 -44.404 -13.248 1.00 0.00 H new ATOM 0 HA GLU A 7 12.584 -45.015 -15.045 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.315 -45.757 -14.773 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.392 -47.246 -14.736 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.186 -45.094 -16.920 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.070 -46.600 -17.073 1.00 0.00 H new ATOM 134 N GLU A 8 12.494 -46.753 -12.226 1.00 0.00 N ATOM 135 CA GLU A 8 11.568 -47.598 -11.459 1.00 0.00 C ATOM 136 C GLU A 8 10.169 -46.969 -11.253 1.00 0.00 C ATOM 137 O GLU A 8 9.190 -47.683 -11.474 1.00 0.00 O ATOM 138 CB GLU A 8 12.291 -48.013 -10.145 1.00 0.00 C ATOM 139 CG GLU A 8 11.545 -48.955 -9.142 1.00 0.00 C ATOM 140 CD GLU A 8 10.610 -48.224 -8.173 1.00 0.00 C ATOM 141 OE1 GLU A 8 10.968 -47.153 -7.671 1.00 0.00 O ATOM 142 OE2 GLU A 8 9.509 -48.724 -7.936 1.00 0.00 O ATOM 0 H GLU A 8 13.288 -46.416 -11.682 1.00 0.00 H new ATOM 0 HA GLU A 8 11.329 -48.495 -12.031 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.226 -48.499 -10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.553 -47.100 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.966 -49.684 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.284 -49.512 -8.566 1.00 0.00 H new ATOM 149 N GLU A 9 9.986 -45.696 -10.862 1.00 0.00 N ATOM 150 CA GLU A 9 8.646 -45.077 -10.812 1.00 0.00 C ATOM 151 C GLU A 9 8.399 -44.071 -11.933 1.00 0.00 C ATOM 152 O GLU A 9 7.591 -43.151 -11.841 1.00 0.00 O ATOM 153 CB GLU A 9 8.384 -44.455 -9.412 1.00 0.00 C ATOM 154 CG GLU A 9 7.977 -45.512 -8.350 1.00 0.00 C ATOM 155 CD GLU A 9 7.756 -44.912 -6.961 1.00 0.00 C ATOM 156 OE1 GLU A 9 8.733 -44.549 -6.301 1.00 0.00 O ATOM 157 OE2 GLU A 9 6.603 -44.842 -6.525 1.00 0.00 O ATOM 0 H GLU A 9 10.744 -45.076 -10.577 1.00 0.00 H new ATOM 0 HA GLU A 9 7.925 -45.877 -10.978 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.282 -43.936 -9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.596 -43.707 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.063 -46.010 -8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.752 -46.276 -8.290 1.00 0.00 H new ATOM 164 N ALA A 10 9.069 -44.262 -13.049 1.00 0.00 N ATOM 165 CA ALA A 10 8.388 -44.600 -14.287 1.00 0.00 C ATOM 166 C ALA A 10 7.899 -46.047 -14.506 1.00 0.00 C ATOM 167 O ALA A 10 6.686 -46.222 -14.644 1.00 0.00 O ATOM 168 CB ALA A 10 9.384 -44.148 -15.369 1.00 0.00 C ATOM 0 H ALA A 10 10.083 -44.190 -13.128 1.00 0.00 H new ATOM 0 HA ALA A 10 7.419 -44.101 -14.295 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.970 -44.357 -16.355 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.566 -43.078 -15.271 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.323 -44.688 -15.248 1.00 0.00 H new ATOM 174 N ALA A 11 8.753 -47.079 -14.574 1.00 0.00 N ATOM 175 CA ALA A 11 8.372 -48.415 -15.045 1.00 0.00 C ATOM 176 C ALA A 11 7.393 -49.217 -14.172 1.00 0.00 C ATOM 177 O ALA A 11 6.422 -49.740 -14.726 1.00 0.00 O ATOM 178 CB ALA A 11 9.639 -49.250 -15.319 1.00 0.00 C ATOM 0 H ALA A 11 9.733 -47.008 -14.302 1.00 0.00 H new ATOM 0 HA ALA A 11 7.803 -48.220 -15.954 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.353 -50.242 -15.669 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.242 -48.757 -16.081 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.219 -49.343 -14.401 1.00 0.00 H new ATOM 184 N LYS A 12 7.555 -49.304 -12.843 1.00 0.00 N ATOM 185 CA LYS A 12 6.785 -50.228 -11.998 1.00 0.00 C ATOM 186 C LYS A 12 5.376 -49.692 -11.620 1.00 0.00 C ATOM 187 O LYS A 12 4.964 -49.581 -10.460 1.00 0.00 O ATOM 188 CB LYS A 12 7.674 -50.587 -10.777 1.00 0.00 C ATOM 189 CG LYS A 12 7.203 -51.830 -9.977 1.00 0.00 C ATOM 190 CD LYS A 12 7.987 -52.029 -8.654 1.00 0.00 C ATOM 191 CE LYS A 12 7.339 -51.408 -7.401 1.00 0.00 C ATOM 192 NZ LYS A 12 7.260 -49.956 -7.525 1.00 0.00 N ATOM 0 H LYS A 12 8.224 -48.735 -12.324 1.00 0.00 H new ATOM 0 HA LYS A 12 6.553 -51.136 -12.554 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.693 -50.760 -11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.708 -49.730 -10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.141 -51.730 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.316 -52.719 -10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.114 -53.098 -8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.984 -51.605 -8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.340 -51.821 -7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.920 -51.671 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.931 -49.548 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.200 -49.576 -7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.592 -49.708 -8.282 1.00 0.00 H new ATOM 206 N TYR A 13 4.655 -49.306 -12.677 1.00 0.00 N ATOM 207 CA TYR A 13 3.224 -49.097 -12.712 1.00 0.00 C ATOM 208 C TYR A 13 2.666 -49.998 -13.846 1.00 0.00 C ATOM 209 O TYR A 13 2.964 -51.190 -13.925 1.00 0.00 O ATOM 210 CB TYR A 13 3.031 -47.583 -13.035 1.00 0.00 C ATOM 211 CG TYR A 13 3.622 -46.626 -11.997 1.00 0.00 C ATOM 212 CD1 TYR A 13 3.057 -46.541 -10.733 1.00 0.00 C ATOM 213 CD2 TYR A 13 4.650 -45.745 -12.312 1.00 0.00 C ATOM 214 CE1 TYR A 13 3.474 -45.611 -9.806 1.00 0.00 C ATOM 215 CE2 TYR A 13 5.049 -44.808 -11.386 1.00 0.00 C ATOM 216 CZ TYR A 13 4.475 -44.740 -10.142 1.00 0.00 C ATOM 217 OH TYR A 13 4.932 -43.830 -9.247 1.00 0.00 O ATOM 0 H TYR A 13 5.092 -49.123 -13.580 1.00 0.00 H new ATOM 0 HA TYR A 13 2.710 -49.346 -11.784 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.484 -47.372 -14.003 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.965 -47.379 -13.131 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.265 -47.226 -10.467 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.132 -45.795 -13.277 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.018 -45.570 -8.828 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.832 -44.110 -11.645 1.00 0.00 H new ATOM 0 HH TYR A 13 5.556 -44.264 -8.629 1.00 0.00 H new ATOM 227 N LYS A 14 1.820 -49.466 -14.732 1.00 0.00 N ATOM 228 CA LYS A 14 1.653 -49.946 -16.109 1.00 0.00 C ATOM 229 C LYS A 14 2.469 -49.071 -17.092 1.00 0.00 C ATOM 230 O LYS A 14 2.015 -48.688 -18.174 1.00 0.00 O ATOM 231 CB LYS A 14 0.155 -50.007 -16.493 1.00 0.00 C ATOM 232 CG LYS A 14 -0.637 -51.058 -15.688 1.00 0.00 C ATOM 233 CD LYS A 14 -2.107 -51.113 -16.141 1.00 0.00 C ATOM 234 CE LYS A 14 -2.885 -52.164 -15.356 1.00 0.00 C ATOM 235 NZ LYS A 14 -4.250 -52.166 -15.858 1.00 0.00 N ATOM 0 H LYS A 14 1.219 -48.673 -14.509 1.00 0.00 H new ATOM 0 HA LYS A 14 2.043 -50.962 -16.175 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.294 -49.026 -16.337 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.068 -50.232 -17.556 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.178 -52.038 -15.814 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.590 -50.818 -14.626 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.570 -50.136 -16.004 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.154 -51.341 -17.206 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.431 -53.147 -15.478 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.869 -51.936 -14.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.809 -52.875 -15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.672 -51.225 -15.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.247 -52.399 -16.871 1.00 0.00 H new ATOM 249 N TYR A 15 3.726 -48.825 -16.693 1.00 0.00 N ATOM 250 CA TYR A 15 4.671 -47.845 -17.242 1.00 0.00 C ATOM 251 C TYR A 15 4.112 -46.531 -17.842 1.00 0.00 C ATOM 252 O TYR A 15 4.069 -45.517 -17.139 1.00 0.00 O ATOM 253 CB TYR A 15 5.799 -48.533 -18.091 1.00 0.00 C ATOM 254 CG TYR A 15 5.402 -49.096 -19.470 1.00 0.00 C ATOM 255 CD1 TYR A 15 4.530 -50.163 -19.629 1.00 0.00 C ATOM 256 CD2 TYR A 15 5.963 -48.571 -20.624 1.00 0.00 C ATOM 257 CE1 TYR A 15 4.236 -50.680 -20.875 1.00 0.00 C ATOM 258 CE2 TYR A 15 5.675 -49.081 -21.875 1.00 0.00 C ATOM 259 CZ TYR A 15 4.808 -50.139 -21.997 1.00 0.00 C ATOM 260 OH TYR A 15 4.510 -50.658 -23.214 1.00 0.00 O ATOM 0 H TYR A 15 4.138 -49.346 -15.919 1.00 0.00 H new ATOM 0 HA TYR A 15 5.134 -47.429 -16.347 1.00 0.00 H new ATOM 0 HB2 TYR A 15 6.599 -47.808 -18.240 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.215 -49.349 -17.501 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.069 -50.601 -18.756 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.646 -47.738 -20.542 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.554 -51.512 -20.966 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.130 -48.649 -22.754 1.00 0.00 H new ATOM 0 HH TYR A 15 4.995 -50.164 -23.908 1.00 0.00 H new ATOM 270 N ALA A 16 3.550 -46.584 -19.056 1.00 0.00 N ATOM 271 CA ALA A 16 3.625 -45.537 -20.085 1.00 0.00 C ATOM 272 C ALA A 16 3.134 -44.121 -19.718 1.00 0.00 C ATOM 273 O ALA A 16 3.925 -43.175 -19.749 1.00 0.00 O ATOM 274 CB ALA A 16 2.878 -46.068 -21.329 1.00 0.00 C ATOM 0 H ALA A 16 3.007 -47.392 -19.362 1.00 0.00 H new ATOM 0 HA ALA A 16 4.688 -45.365 -20.251 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.910 -45.319 -22.120 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.356 -46.984 -21.677 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.840 -46.277 -21.069 1.00 0.00 H new ATOM 280 N MET A 17 1.856 -43.955 -19.355 1.00 0.00 N ATOM 281 CA MET A 17 1.255 -42.647 -19.059 1.00 0.00 C ATOM 282 C MET A 17 1.775 -42.040 -17.736 1.00 0.00 C ATOM 283 O MET A 17 1.912 -40.824 -17.577 1.00 0.00 O ATOM 284 CB MET A 17 -0.286 -42.835 -19.040 1.00 0.00 C ATOM 285 CG MET A 17 -1.084 -41.513 -18.946 1.00 0.00 C ATOM 286 SD MET A 17 -2.876 -41.778 -18.969 1.00 0.00 S ATOM 287 CE MET A 17 -3.228 -41.906 -17.197 1.00 0.00 C ATOM 0 H MET A 17 1.203 -44.732 -19.257 1.00 0.00 H new ATOM 0 HA MET A 17 1.541 -41.932 -19.830 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.587 -43.365 -19.943 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.553 -43.469 -18.194 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.809 -40.991 -18.029 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.806 -40.865 -19.777 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.295 -42.071 -17.049 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.670 -42.742 -16.775 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.931 -40.983 -16.699 1.00 0.00 H new ATOM 297 N LEU A 18 2.142 -42.928 -16.810 1.00 0.00 N ATOM 298 CA LEU A 18 2.557 -42.568 -15.461 1.00 0.00 C ATOM 299 C LEU A 18 4.056 -42.230 -15.445 1.00 0.00 C ATOM 300 O LEU A 18 4.434 -41.182 -14.924 1.00 0.00 O ATOM 301 CB LEU A 18 2.116 -43.716 -14.512 1.00 0.00 C ATOM 302 CG LEU A 18 0.587 -44.025 -14.623 1.00 0.00 C ATOM 303 CD1 LEU A 18 0.178 -45.261 -13.829 1.00 0.00 C ATOM 304 CD2 LEU A 18 -0.291 -42.840 -14.206 1.00 0.00 C ATOM 0 H LEU A 18 2.158 -43.933 -16.984 1.00 0.00 H new ATOM 0 HA LEU A 18 2.075 -41.660 -15.100 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.684 -44.616 -14.746 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.356 -43.446 -13.484 1.00 0.00 H new ATOM 0 HG LEU A 18 0.419 -44.221 -15.682 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.893 -45.428 -13.942 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.722 -46.129 -14.201 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.413 -45.111 -12.775 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.342 -43.113 -14.304 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.079 -42.577 -13.169 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.077 -41.985 -14.848 1.00 0.00 H new ATOM 316 N LYS A 19 4.935 -43.070 -16.004 1.00 0.00 N ATOM 317 CA LYS A 19 6.179 -42.604 -16.632 1.00 0.00 C ATOM 318 C LYS A 19 6.140 -41.267 -17.414 1.00 0.00 C ATOM 319 O LYS A 19 7.042 -40.454 -17.214 1.00 0.00 O ATOM 320 CB LYS A 19 6.611 -43.763 -17.592 1.00 0.00 C ATOM 321 CG LYS A 19 7.795 -43.577 -18.582 1.00 0.00 C ATOM 322 CD LYS A 19 8.228 -44.954 -19.149 1.00 0.00 C ATOM 323 CE LYS A 19 9.386 -44.935 -20.158 1.00 0.00 C ATOM 324 NZ LYS A 19 10.691 -44.767 -19.513 1.00 0.00 N ATOM 0 H LYS A 19 4.807 -44.082 -16.035 1.00 0.00 H new ATOM 0 HA LYS A 19 6.875 -42.377 -15.825 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.848 -44.624 -16.968 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.736 -44.030 -18.185 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.500 -42.915 -19.396 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.635 -43.102 -18.074 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.511 -45.595 -18.314 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.364 -45.415 -19.627 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.383 -45.865 -20.727 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.230 -44.125 -20.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.446 -44.929 -20.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.770 -43.801 -19.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.785 -45.451 -18.735 1.00 0.00 H new ATOM 338 N LYS A 20 5.176 -40.974 -18.302 1.00 0.00 N ATOM 339 CA LYS A 20 5.037 -39.638 -18.905 1.00 0.00 C ATOM 340 C LYS A 20 4.776 -38.549 -17.829 1.00 0.00 C ATOM 341 O LYS A 20 5.370 -37.468 -17.932 1.00 0.00 O ATOM 342 CB LYS A 20 3.920 -39.723 -19.990 1.00 0.00 C ATOM 343 CG LYS A 20 3.779 -38.571 -21.032 1.00 0.00 C ATOM 344 CD LYS A 20 3.216 -37.212 -20.543 1.00 0.00 C ATOM 345 CE LYS A 20 1.796 -37.272 -19.969 1.00 0.00 C ATOM 346 NZ LYS A 20 1.511 -35.958 -19.411 1.00 0.00 N ATOM 0 H LYS A 20 4.479 -41.647 -18.619 1.00 0.00 H new ATOM 0 HA LYS A 20 5.967 -39.331 -19.384 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.071 -40.649 -20.544 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.966 -39.814 -19.471 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.763 -38.389 -21.463 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.138 -38.927 -21.839 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.884 -36.811 -19.781 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.226 -36.510 -21.377 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.075 -37.526 -20.746 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.722 -38.042 -19.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.519 -35.921 -19.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.136 -35.783 -18.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.674 -35.230 -20.136 1.00 0.00 H new ATOM 360 N CYS A 21 3.950 -38.781 -16.785 1.00 0.00 N ATOM 361 CA CYS A 21 3.877 -37.870 -15.626 1.00 0.00 C ATOM 362 C CYS A 21 5.195 -37.727 -14.827 1.00 0.00 C ATOM 363 O CYS A 21 5.488 -36.625 -14.348 1.00 0.00 O ATOM 364 CB CYS A 21 2.725 -38.246 -14.681 1.00 0.00 C ATOM 365 SG CYS A 21 1.080 -37.734 -15.241 1.00 0.00 S ATOM 0 H CYS A 21 3.328 -39.587 -16.723 1.00 0.00 H new ATOM 0 HA CYS A 21 3.685 -36.891 -16.066 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.726 -39.327 -14.543 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.915 -37.800 -13.705 1.00 0.00 H new ATOM 370 N CYS A 22 5.996 -38.803 -14.682 1.00 0.00 N ATOM 371 CA CYS A 22 7.418 -38.723 -14.291 1.00 0.00 C ATOM 372 C CYS A 22 8.159 -37.700 -15.135 1.00 0.00 C ATOM 373 O CYS A 22 8.840 -36.835 -14.595 1.00 0.00 O ATOM 374 CB CYS A 22 8.086 -40.128 -14.264 1.00 0.00 C ATOM 375 SG CYS A 22 9.284 -40.441 -12.932 1.00 0.00 S ATOM 0 H CYS A 22 5.672 -39.758 -14.834 1.00 0.00 H new ATOM 0 HA CYS A 22 7.476 -38.360 -13.265 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.298 -40.878 -14.195 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.590 -40.283 -15.218 1.00 0.00 H new ATOM 380 N TYR A 23 8.003 -37.745 -16.447 1.00 0.00 N ATOM 381 CA TYR A 23 8.770 -36.870 -17.322 1.00 0.00 C ATOM 382 C TYR A 23 8.276 -35.408 -17.345 1.00 0.00 C ATOM 383 O TYR A 23 9.087 -34.493 -17.526 1.00 0.00 O ATOM 384 CB TYR A 23 8.942 -37.613 -18.643 1.00 0.00 C ATOM 385 CG TYR A 23 9.600 -39.009 -18.446 1.00 0.00 C ATOM 386 CD1 TYR A 23 10.138 -39.527 -17.246 1.00 0.00 C ATOM 387 CD2 TYR A 23 9.714 -39.802 -19.571 1.00 0.00 C ATOM 388 CE1 TYR A 23 10.786 -40.744 -17.226 1.00 0.00 C ATOM 389 CE2 TYR A 23 10.358 -41.021 -19.545 1.00 0.00 C ATOM 390 CZ TYR A 23 10.892 -41.486 -18.372 1.00 0.00 C ATOM 391 OH TYR A 23 11.479 -42.710 -18.339 1.00 0.00 O ATOM 0 H TYR A 23 7.358 -38.372 -16.928 1.00 0.00 H new ATOM 0 HA TYR A 23 9.772 -36.678 -16.940 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.969 -37.735 -19.120 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.555 -37.015 -19.318 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.040 -38.961 -16.331 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.285 -39.457 -20.500 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.211 -41.113 -16.304 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.441 -41.608 -20.448 1.00 0.00 H new ATOM 0 HH TYR A 23 11.340 -43.116 -17.458 1.00 0.00 H new ATOM 401 N ASP A 24 6.974 -35.182 -17.088 1.00 0.00 N ATOM 402 CA ASP A 24 6.457 -33.871 -16.659 1.00 0.00 C ATOM 403 C ASP A 24 7.119 -33.360 -15.359 1.00 0.00 C ATOM 404 O ASP A 24 7.396 -32.166 -15.240 1.00 0.00 O ATOM 405 CB ASP A 24 4.913 -33.903 -16.466 1.00 0.00 C ATOM 406 CG ASP A 24 4.141 -34.235 -17.741 1.00 0.00 C ATOM 407 OD1 ASP A 24 4.416 -33.663 -18.793 1.00 0.00 O ATOM 408 OD2 ASP A 24 3.216 -35.046 -17.666 1.00 0.00 O ATOM 0 H ASP A 24 6.255 -35.900 -17.172 1.00 0.00 H new ATOM 0 HA ASP A 24 6.711 -33.179 -17.462 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.667 -34.639 -15.701 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.582 -32.933 -16.094 1.00 0.00 H new ATOM 413 N GLY A 25 7.342 -34.253 -14.380 1.00 0.00 N ATOM 414 CA GLY A 25 8.136 -33.958 -13.179 1.00 0.00 C ATOM 415 C GLY A 25 9.624 -33.688 -13.432 1.00 0.00 C ATOM 416 O GLY A 25 10.141 -32.677 -12.953 1.00 0.00 O ATOM 0 H GLY A 25 6.974 -35.204 -14.401 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.705 -33.089 -12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.047 -34.797 -12.489 1.00 0.00 H new ATOM 420 N ALA A 26 10.291 -34.589 -14.171 1.00 0.00 N ATOM 421 CA ALA A 26 11.709 -34.495 -14.538 1.00 0.00 C ATOM 422 C ALA A 26 12.070 -33.210 -15.303 1.00 0.00 C ATOM 423 O ALA A 26 13.150 -32.652 -15.085 1.00 0.00 O ATOM 424 CB ALA A 26 12.122 -35.735 -15.353 1.00 0.00 C ATOM 0 H ALA A 26 9.843 -35.428 -14.540 1.00 0.00 H new ATOM 0 HA ALA A 26 12.267 -34.454 -13.603 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.175 -35.659 -15.622 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.964 -36.633 -14.755 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.519 -35.792 -16.259 1.00 0.00 H new ATOM 430 N TYR A 27 11.196 -32.715 -16.194 1.00 0.00 N ATOM 431 CA TYR A 27 11.287 -31.327 -16.653 1.00 0.00 C ATOM 432 C TYR A 27 10.888 -30.341 -15.528 1.00 0.00 C ATOM 433 O TYR A 27 9.765 -29.822 -15.474 1.00 0.00 O ATOM 434 CB TYR A 27 10.444 -31.126 -17.945 1.00 0.00 C ATOM 435 CG TYR A 27 11.137 -31.751 -19.165 1.00 0.00 C ATOM 436 CD1 TYR A 27 12.044 -31.028 -19.922 1.00 0.00 C ATOM 437 CD2 TYR A 27 10.880 -33.054 -19.558 1.00 0.00 C ATOM 438 CE1 TYR A 27 12.666 -31.583 -21.024 1.00 0.00 C ATOM 439 CE2 TYR A 27 11.497 -33.617 -20.657 1.00 0.00 C ATOM 440 CZ TYR A 27 12.393 -32.876 -21.390 1.00 0.00 C ATOM 441 OH TYR A 27 13.011 -33.406 -22.475 1.00 0.00 O ATOM 0 H TYR A 27 10.430 -33.249 -16.604 1.00 0.00 H new ATOM 0 HA TYR A 27 12.325 -31.108 -16.905 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.460 -31.575 -17.813 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.288 -30.061 -18.118 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.270 -30.009 -19.645 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.178 -33.646 -18.989 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.369 -30.997 -21.598 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.277 -34.636 -20.940 1.00 0.00 H new ATOM 0 HH TYR A 27 12.712 -34.331 -22.602 1.00 0.00 H new ATOM 451 N ARG A 28 11.811 -30.129 -14.571 1.00 0.00 N ATOM 452 CA ARG A 28 11.641 -29.129 -13.513 1.00 0.00 C ATOM 453 C ARG A 28 11.645 -27.688 -14.068 1.00 0.00 C ATOM 454 O ARG A 28 12.674 -27.156 -14.503 1.00 0.00 O ATOM 455 CB ARG A 28 12.739 -29.288 -12.430 1.00 0.00 C ATOM 456 CG ARG A 28 12.272 -29.233 -10.949 1.00 0.00 C ATOM 457 CD ARG A 28 11.358 -28.068 -10.498 1.00 0.00 C ATOM 458 NE ARG A 28 11.866 -26.756 -10.911 1.00 0.00 N ATOM 459 CZ ARG A 28 12.717 -26.007 -10.273 1.00 0.00 C ATOM 460 NH1 ARG A 28 13.375 -26.342 -9.223 1.00 0.00 N ATOM 461 NH2 ARG A 28 12.910 -24.842 -10.759 1.00 0.00 N ATOM 0 H ARG A 28 12.689 -30.645 -14.514 1.00 0.00 H new ATOM 0 HA ARG A 28 10.665 -29.304 -13.061 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.242 -30.241 -12.593 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.482 -28.505 -12.582 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.750 -30.165 -10.733 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.164 -29.215 -10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.360 -28.213 -10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.259 -28.089 -9.413 1.00 0.00 H new ATOM 0 HE ARG A 28 11.513 -26.391 -11.796 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.251 -27.270 -8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.022 -25.680 -8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.409 -24.550 -11.598 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.565 -24.203 -10.308 1.00 0.00 H new ATOM 475 N ASN A 29 10.471 -27.047 -14.060 1.00 0.00 N ATOM 476 CA ASN A 29 10.339 -25.674 -14.546 1.00 0.00 C ATOM 477 C ASN A 29 10.296 -24.643 -13.394 1.00 0.00 C ATOM 478 O ASN A 29 11.351 -24.280 -12.868 1.00 0.00 O ATOM 479 CB ASN A 29 9.129 -25.575 -15.525 1.00 0.00 C ATOM 480 CG ASN A 29 9.299 -26.511 -16.723 1.00 0.00 C ATOM 481 OD1 ASN A 29 9.996 -26.206 -17.680 1.00 0.00 O ATOM 482 ND2 ASN A 29 8.670 -27.672 -16.722 1.00 0.00 N ATOM 0 H ASN A 29 9.601 -27.459 -13.722 1.00 0.00 H new ATOM 0 HA ASN A 29 11.234 -25.412 -15.110 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.210 -25.824 -14.995 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.027 -24.548 -15.876 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.768 -28.306 -17.515 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.086 -27.935 -15.928 1.00 0.00 H new ATOM 489 N ASP A 30 9.099 -24.256 -12.929 1.00 0.00 N ATOM 490 CA ASP A 30 8.842 -23.038 -12.148 1.00 0.00 C ATOM 491 C ASP A 30 9.543 -22.941 -10.778 1.00 0.00 C ATOM 492 O ASP A 30 10.293 -21.992 -10.546 1.00 0.00 O ATOM 493 CB ASP A 30 7.300 -22.888 -11.946 1.00 0.00 C ATOM 494 CG ASP A 30 6.519 -23.057 -13.247 1.00 0.00 C ATOM 495 OD1 ASP A 30 6.342 -24.205 -13.662 1.00 0.00 O ATOM 496 OD2 ASP A 30 6.120 -22.055 -13.829 1.00 0.00 O ATOM 0 H ASP A 30 8.253 -24.802 -13.093 1.00 0.00 H new ATOM 0 HA ASP A 30 9.274 -22.228 -12.736 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.958 -23.628 -11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.086 -21.906 -11.523 1.00 0.00 H new ATOM 501 N ASP A 31 9.326 -23.901 -9.869 1.00 0.00 N ATOM 502 CA ASP A 31 9.781 -23.806 -8.482 1.00 0.00 C ATOM 503 C ASP A 31 10.009 -25.187 -7.824 1.00 0.00 C ATOM 504 O ASP A 31 9.560 -26.227 -8.308 1.00 0.00 O ATOM 505 CB ASP A 31 8.750 -22.953 -7.666 1.00 0.00 C ATOM 506 CG ASP A 31 7.396 -23.643 -7.514 1.00 0.00 C ATOM 507 OD1 ASP A 31 6.580 -23.570 -8.430 1.00 0.00 O ATOM 508 OD2 ASP A 31 7.189 -24.254 -6.468 1.00 0.00 O ATOM 0 H ASP A 31 8.828 -24.766 -10.079 1.00 0.00 H new ATOM 0 HA ASP A 31 10.755 -23.316 -8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.159 -22.746 -6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.609 -21.992 -8.161 1.00 0.00 H new ATOM 513 N GLU A 32 10.676 -25.145 -6.667 1.00 0.00 N ATOM 514 CA GLU A 32 11.010 -26.314 -5.845 1.00 0.00 C ATOM 515 C GLU A 32 9.808 -27.114 -5.285 1.00 0.00 C ATOM 516 O GLU A 32 9.963 -28.304 -4.999 1.00 0.00 O ATOM 517 CB GLU A 32 11.954 -25.839 -4.692 1.00 0.00 C ATOM 518 CG GLU A 32 11.322 -25.023 -3.498 1.00 0.00 C ATOM 519 CD GLU A 32 10.429 -23.848 -3.915 1.00 0.00 C ATOM 520 OE1 GLU A 32 10.886 -22.976 -4.654 1.00 0.00 O ATOM 521 OE2 GLU A 32 9.258 -23.859 -3.538 1.00 0.00 O ATOM 0 H GLU A 32 11.009 -24.270 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 32 11.500 -27.029 -6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.437 -26.721 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.739 -25.226 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.735 -25.705 -2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.128 -24.642 -2.871 1.00 0.00 H new ATOM 528 N THR A 33 8.614 -26.516 -5.125 1.00 0.00 N ATOM 529 CA THR A 33 7.464 -27.186 -4.507 1.00 0.00 C ATOM 530 C THR A 33 6.658 -27.945 -5.578 1.00 0.00 C ATOM 531 O THR A 33 5.744 -27.421 -6.222 1.00 0.00 O ATOM 532 CB THR A 33 6.585 -26.183 -3.706 1.00 0.00 C ATOM 533 OG1 THR A 33 7.361 -25.559 -2.695 1.00 0.00 O ATOM 534 CG2 THR A 33 5.460 -26.832 -2.901 1.00 0.00 C ATOM 0 H THR A 33 8.423 -25.559 -5.420 1.00 0.00 H new ATOM 0 HA THR A 33 7.830 -27.916 -3.785 1.00 0.00 H new ATOM 0 HB THR A 33 6.188 -25.517 -4.472 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.847 -24.799 -3.078 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.898 -26.061 -2.374 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.794 -27.370 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.885 -27.529 -2.179 1.00 0.00 H new ATOM 542 N CYS A 34 7.024 -29.223 -5.740 1.00 0.00 N ATOM 543 CA CYS A 34 6.489 -30.131 -6.763 1.00 0.00 C ATOM 544 C CYS A 34 4.958 -30.280 -6.752 1.00 0.00 C ATOM 545 O CYS A 34 4.320 -30.326 -7.805 1.00 0.00 O ATOM 546 CB CYS A 34 7.142 -31.521 -6.575 1.00 0.00 C ATOM 547 SG CYS A 34 8.944 -31.517 -6.767 1.00 0.00 S ATOM 0 H CYS A 34 7.722 -29.667 -5.144 1.00 0.00 H new ATOM 0 HA CYS A 34 6.734 -29.690 -7.729 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.893 -31.898 -5.583 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.711 -32.215 -7.297 1.00 0.00 H new ATOM 552 N GLU A 35 4.378 -30.312 -5.547 1.00 0.00 N ATOM 553 CA GLU A 35 2.930 -30.358 -5.350 1.00 0.00 C ATOM 554 C GLU A 35 2.200 -29.042 -5.700 1.00 0.00 C ATOM 555 O GLU A 35 0.973 -29.048 -5.720 1.00 0.00 O ATOM 556 CB GLU A 35 2.612 -30.787 -3.888 1.00 0.00 C ATOM 557 CG GLU A 35 3.117 -32.210 -3.477 1.00 0.00 C ATOM 558 CD GLU A 35 2.494 -33.349 -4.288 1.00 0.00 C ATOM 559 OE1 GLU A 35 1.381 -33.759 -3.967 1.00 0.00 O ATOM 560 OE2 GLU A 35 3.149 -33.829 -5.210 1.00 0.00 O ATOM 0 H GLU A 35 4.908 -30.307 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 35 2.548 -31.098 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.051 -30.055 -3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.532 -30.748 -3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.200 -32.247 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.902 -32.370 -2.420 1.00 0.00 H new ATOM 567 N GLU A 36 2.867 -27.906 -5.973 1.00 0.00 N ATOM 568 CA GLU A 36 2.221 -26.728 -6.573 1.00 0.00 C ATOM 569 C GLU A 36 1.961 -26.979 -8.073 1.00 0.00 C ATOM 570 O GLU A 36 0.815 -26.941 -8.546 1.00 0.00 O ATOM 571 CB GLU A 36 3.106 -25.470 -6.306 1.00 0.00 C ATOM 572 CG GLU A 36 2.696 -24.139 -7.026 1.00 0.00 C ATOM 573 CD GLU A 36 1.297 -23.625 -6.670 1.00 0.00 C ATOM 574 OE1 GLU A 36 1.052 -23.303 -5.510 1.00 0.00 O ATOM 575 OE2 GLU A 36 0.465 -23.519 -7.574 1.00 0.00 O ATOM 0 H GLU A 36 3.862 -27.780 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 36 1.248 -26.545 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.114 -25.284 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.129 -25.709 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.426 -23.368 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.748 -24.293 -8.104 1.00 0.00 H new ATOM 582 N ARG A 37 3.057 -27.304 -8.784 1.00 0.00 N ATOM 583 CA ARG A 37 3.012 -27.754 -10.174 1.00 0.00 C ATOM 584 C ARG A 37 2.045 -28.938 -10.345 1.00 0.00 C ATOM 585 O ARG A 37 1.177 -28.898 -11.214 1.00 0.00 O ATOM 586 CB ARG A 37 4.416 -28.171 -10.692 1.00 0.00 C ATOM 587 CG ARG A 37 5.490 -27.057 -10.698 1.00 0.00 C ATOM 588 CD ARG A 37 6.561 -27.289 -11.782 1.00 0.00 C ATOM 589 NE ARG A 37 7.283 -28.545 -11.554 1.00 0.00 N ATOM 590 CZ ARG A 37 7.902 -29.252 -12.462 1.00 0.00 C ATOM 591 NH1 ARG A 37 7.918 -28.969 -13.712 1.00 0.00 N ATOM 592 NH2 ARG A 37 8.529 -30.298 -12.088 1.00 0.00 N ATOM 0 H ARG A 37 4.001 -27.259 -8.401 1.00 0.00 H new ATOM 0 HA ARG A 37 2.657 -26.907 -10.761 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.779 -28.996 -10.078 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.309 -28.552 -11.708 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.010 -26.092 -10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.969 -27.011 -9.720 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.089 -27.311 -12.764 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.265 -26.457 -11.785 1.00 0.00 H new ATOM 0 HE ARG A 37 7.304 -28.900 -10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.425 -28.144 -14.055 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.424 -29.568 -14.364 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.538 -30.562 -11.103 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.022 -30.870 -12.774 1.00 0.00 H new ATOM 606 N ALA A 38 2.149 -29.974 -9.505 1.00 0.00 N ATOM 607 CA ALA A 38 1.242 -31.113 -9.563 1.00 0.00 C ATOM 608 C ALA A 38 0.017 -31.085 -8.612 1.00 0.00 C ATOM 609 O ALA A 38 -0.599 -32.115 -8.341 1.00 0.00 O ATOM 610 CB ALA A 38 2.106 -32.362 -9.526 1.00 0.00 C ATOM 0 H ALA A 38 2.858 -30.042 -8.775 1.00 0.00 H new ATOM 0 HA ALA A 38 0.686 -31.082 -10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.470 -33.246 -9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.783 -32.362 -10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.686 -32.376 -8.604 1.00 0.00 H new ATOM 616 N ALA A 39 -0.354 -29.928 -8.045 1.00 0.00 N ATOM 617 CA ALA A 39 -1.765 -29.564 -7.885 1.00 0.00 C ATOM 618 C ALA A 39 -2.407 -29.164 -9.226 1.00 0.00 C ATOM 619 O ALA A 39 -3.577 -29.468 -9.471 1.00 0.00 O ATOM 620 CB ALA A 39 -1.908 -28.413 -6.869 1.00 0.00 C ATOM 0 H ALA A 39 0.302 -29.232 -7.691 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.290 -30.443 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.961 -28.153 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.510 -28.728 -5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.354 -27.544 -7.224 1.00 0.00 H new ATOM 626 N ARG A 40 -1.657 -28.455 -10.089 1.00 0.00 N ATOM 627 CA ARG A 40 -2.122 -28.147 -11.452 1.00 0.00 C ATOM 628 C ARG A 40 -2.179 -29.409 -12.356 1.00 0.00 C ATOM 629 O ARG A 40 -3.178 -29.613 -13.058 1.00 0.00 O ATOM 630 CB ARG A 40 -1.259 -27.012 -12.088 1.00 0.00 C ATOM 631 CG ARG A 40 -0.979 -25.785 -11.172 1.00 0.00 C ATOM 632 CD ARG A 40 -2.202 -24.969 -10.737 1.00 0.00 C ATOM 633 NE ARG A 40 -1.767 -24.077 -9.663 1.00 0.00 N ATOM 634 CZ ARG A 40 -2.463 -23.117 -9.128 1.00 0.00 C ATOM 635 NH1 ARG A 40 -3.636 -22.767 -9.501 1.00 0.00 N ATOM 636 NH2 ARG A 40 -1.921 -22.488 -8.165 1.00 0.00 N ATOM 0 H ARG A 40 -0.732 -28.087 -9.868 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.147 -27.784 -11.373 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.304 -27.437 -12.398 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.760 -26.662 -12.991 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.466 -26.136 -10.277 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.291 -25.119 -11.693 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.600 -24.397 -11.575 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.000 -25.626 -10.392 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.826 -24.222 -9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.092 -23.254 -10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.115 -22.001 -9.027 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.986 -22.746 -7.850 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.421 -21.726 -7.708 1.00 0.00 H new ATOM 650 N ILE A 41 -1.128 -30.248 -12.388 1.00 0.00 N ATOM 651 CA ILE A 41 -1.148 -31.618 -12.925 1.00 0.00 C ATOM 652 C ILE A 41 -1.967 -32.586 -12.039 1.00 0.00 C ATOM 653 O ILE A 41 -1.542 -33.316 -11.144 1.00 0.00 O ATOM 654 CB ILE A 41 0.261 -32.166 -13.301 1.00 0.00 C ATOM 655 CG1 ILE A 41 0.940 -31.289 -14.377 1.00 0.00 C ATOM 656 CG2 ILE A 41 0.242 -33.581 -13.821 1.00 0.00 C ATOM 657 CD1 ILE A 41 1.991 -30.464 -13.685 1.00 0.00 C ATOM 0 H ILE A 41 -0.212 -29.981 -12.028 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.678 -31.554 -13.875 1.00 0.00 H new ATOM 0 HB ILE A 41 0.820 -32.143 -12.365 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.388 -31.910 -15.152 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.208 -30.647 -14.867 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.258 -33.894 -14.062 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.171 -34.243 -13.060 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.375 -33.631 -14.718 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.494 -29.829 -14.415 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.521 -29.840 -12.924 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.720 -31.124 -13.214 1.00 0.00 H new ATOM 669 N LYS A 42 -3.219 -32.514 -12.455 1.00 0.00 N ATOM 670 CA LYS A 42 -4.389 -33.117 -11.815 1.00 0.00 C ATOM 671 C LYS A 42 -4.761 -34.545 -12.278 1.00 0.00 C ATOM 672 O LYS A 42 -5.740 -35.106 -11.784 1.00 0.00 O ATOM 673 CB LYS A 42 -5.576 -32.135 -12.028 1.00 0.00 C ATOM 674 CG LYS A 42 -6.001 -31.945 -13.511 1.00 0.00 C ATOM 675 CD LYS A 42 -7.073 -30.847 -13.693 1.00 0.00 C ATOM 676 CE LYS A 42 -6.555 -29.526 -14.285 1.00 0.00 C ATOM 677 NZ LYS A 42 -5.642 -28.866 -13.358 1.00 0.00 N ATOM 0 H LYS A 42 -3.468 -32.002 -13.301 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.143 -33.262 -10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.434 -32.495 -11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.305 -31.164 -11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.123 -31.691 -14.106 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.386 -32.889 -13.897 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.861 -31.233 -14.339 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.528 -30.640 -12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.045 -29.720 -15.229 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.395 -28.867 -14.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.397 -27.924 -13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.100 -28.769 -12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.777 -29.434 -13.259 1.00 0.00 H new ATOM 691 N ILE A 43 -3.976 -35.157 -13.179 1.00 0.00 N ATOM 692 CA ILE A 43 -4.376 -36.329 -13.977 1.00 0.00 C ATOM 693 C ILE A 43 -4.705 -37.592 -13.146 1.00 0.00 C ATOM 694 O ILE A 43 -5.703 -38.258 -13.434 1.00 0.00 O ATOM 695 CB ILE A 43 -3.302 -36.586 -15.099 1.00 0.00 C ATOM 696 CG1 ILE A 43 -3.172 -35.339 -16.031 1.00 0.00 C ATOM 697 CG2 ILE A 43 -3.646 -37.832 -15.965 1.00 0.00 C ATOM 698 CD1 ILE A 43 -1.936 -35.346 -16.960 1.00 0.00 C ATOM 0 H ILE A 43 -3.025 -34.845 -13.378 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.330 -36.092 -14.448 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.356 -36.771 -14.591 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.070 -35.268 -16.645 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.138 -34.443 -15.412 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.877 -37.970 -16.726 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.690 -38.716 -15.329 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.612 -37.684 -16.448 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.932 -34.441 -17.568 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.028 -35.382 -16.358 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.975 -36.220 -17.610 1.00 0.00 H new ATOM 710 N GLY A 44 -3.922 -37.941 -12.115 1.00 0.00 N ATOM 711 CA GLY A 44 -4.258 -39.067 -11.229 1.00 0.00 C ATOM 712 C GLY A 44 -3.295 -39.294 -10.044 1.00 0.00 C ATOM 713 O GLY A 44 -2.161 -38.813 -10.127 1.00 0.00 O ATOM 0 H GLY A 44 -3.054 -37.462 -11.874 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.261 -38.908 -10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.292 -39.978 -11.826 1.00 0.00 H new ATOM 717 N PRO A 45 -3.659 -40.019 -8.950 1.00 0.00 N ATOM 718 CA PRO A 45 -2.789 -40.312 -7.786 1.00 0.00 C ATOM 719 C PRO A 45 -1.397 -40.898 -8.107 1.00 0.00 C ATOM 720 O PRO A 45 -0.376 -40.438 -7.589 1.00 0.00 O ATOM 721 CB PRO A 45 -3.620 -41.312 -6.963 1.00 0.00 C ATOM 722 CG PRO A 45 -5.032 -40.846 -7.227 1.00 0.00 C ATOM 723 CD PRO A 45 -5.006 -40.561 -8.726 1.00 0.00 C ATOM 0 HA PRO A 45 -2.537 -39.383 -7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.462 -42.339 -7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.370 -41.274 -5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.767 -41.609 -6.971 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.282 -39.957 -6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.176 -41.466 -9.309 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.778 -39.847 -9.012 1.00 0.00 H new ATOM 731 N LYS A 46 -1.368 -41.904 -8.989 1.00 0.00 N ATOM 732 CA LYS A 46 -0.132 -42.515 -9.484 1.00 0.00 C ATOM 733 C LYS A 46 0.676 -41.584 -10.415 1.00 0.00 C ATOM 734 O LYS A 46 1.902 -41.699 -10.482 1.00 0.00 O ATOM 735 CB LYS A 46 -0.471 -43.858 -10.171 1.00 0.00 C ATOM 736 CG LYS A 46 -1.040 -44.900 -9.182 1.00 0.00 C ATOM 737 CD LYS A 46 -1.441 -46.202 -9.894 1.00 0.00 C ATOM 738 CE LYS A 46 -2.028 -47.204 -8.903 1.00 0.00 C ATOM 739 NZ LYS A 46 -2.411 -48.393 -9.648 1.00 0.00 N ATOM 0 H LYS A 46 -2.212 -42.320 -9.382 1.00 0.00 H new ATOM 0 HA LYS A 46 0.519 -42.697 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.195 -43.683 -10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.427 -44.259 -10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.296 -45.119 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.908 -44.482 -8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.171 -45.985 -10.674 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.570 -46.637 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.297 -47.454 -8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.892 -46.777 -8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.815 -49.096 -8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.119 -48.139 -10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.573 -48.795 -10.114 1.00 0.00 H new ATOM 753 N CYS A 47 -0.002 -40.648 -11.103 1.00 0.00 N ATOM 754 CA CYS A 47 0.643 -39.590 -11.883 1.00 0.00 C ATOM 755 C CYS A 47 1.358 -38.584 -10.967 1.00 0.00 C ATOM 756 O CYS A 47 2.547 -38.356 -11.189 1.00 0.00 O ATOM 757 CB CYS A 47 -0.368 -38.869 -12.826 1.00 0.00 C ATOM 758 SG CYS A 47 -0.130 -39.212 -14.589 1.00 0.00 S ATOM 0 H CYS A 47 -1.021 -40.609 -11.130 1.00 0.00 H new ATOM 0 HA CYS A 47 1.394 -40.065 -12.514 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.380 -39.163 -12.545 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.292 -37.794 -12.665 1.00 0.00 H new ATOM 763 N VAL A 48 0.685 -37.976 -9.965 1.00 0.00 N ATOM 764 CA VAL A 48 1.343 -37.224 -8.888 1.00 0.00 C ATOM 765 C VAL A 48 2.512 -37.965 -8.213 1.00 0.00 C ATOM 766 O VAL A 48 3.546 -37.354 -7.951 1.00 0.00 O ATOM 767 CB VAL A 48 0.367 -36.768 -7.748 1.00 0.00 C ATOM 768 CG1 VAL A 48 0.653 -35.324 -7.438 1.00 0.00 C ATOM 769 CG2 VAL A 48 -1.123 -36.831 -8.035 1.00 0.00 C ATOM 0 H VAL A 48 -0.332 -37.997 -9.886 1.00 0.00 H new ATOM 0 HA VAL A 48 1.728 -36.355 -9.422 1.00 0.00 H new ATOM 0 HB VAL A 48 0.558 -37.479 -6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.014 -34.983 -6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.687 -35.220 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.493 -34.721 -8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.677 -36.487 -7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.357 -36.193 -8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.406 -37.858 -8.263 1.00 0.00 H new ATOM 779 N LYS A 49 2.347 -39.263 -7.918 1.00 0.00 N ATOM 780 CA LYS A 49 3.428 -40.096 -7.363 1.00 0.00 C ATOM 781 C LYS A 49 4.675 -40.220 -8.279 1.00 0.00 C ATOM 782 O LYS A 49 5.788 -39.947 -7.809 1.00 0.00 O ATOM 783 CB LYS A 49 2.861 -41.486 -6.990 1.00 0.00 C ATOM 784 CG LYS A 49 3.682 -42.169 -5.880 1.00 0.00 C ATOM 785 CD LYS A 49 3.223 -43.620 -5.631 1.00 0.00 C ATOM 786 CE LYS A 49 3.820 -44.263 -4.373 1.00 0.00 C ATOM 787 NZ LYS A 49 5.277 -44.181 -4.400 1.00 0.00 N ATOM 0 H LYS A 49 1.469 -39.763 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 49 3.793 -39.588 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.827 -41.379 -6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.850 -42.122 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.737 -42.165 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.590 -41.596 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.136 -43.637 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.489 -44.227 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.438 -43.761 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.510 -45.306 -4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.668 -44.680 -3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.633 -44.621 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.569 -43.183 -4.371 1.00 0.00 H new ATOM 801 N ALA A 50 4.518 -40.604 -9.564 1.00 0.00 N ATOM 802 CA ALA A 50 5.595 -40.582 -10.573 1.00 0.00 C ATOM 803 C ALA A 50 6.208 -39.173 -10.714 1.00 0.00 C ATOM 804 O ALA A 50 7.433 -39.019 -10.652 1.00 0.00 O ATOM 805 CB ALA A 50 5.016 -41.083 -11.921 1.00 0.00 C ATOM 0 H ALA A 50 3.629 -40.942 -9.933 1.00 0.00 H new ATOM 0 HA ALA A 50 6.403 -41.241 -10.255 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.799 -41.073 -12.679 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.640 -42.099 -11.800 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.201 -40.429 -12.232 1.00 0.00 H new ATOM 811 N PHE A 51 5.332 -38.152 -10.807 1.00 0.00 N ATOM 812 CA PHE A 51 5.706 -36.735 -10.839 1.00 0.00 C ATOM 813 C PHE A 51 6.593 -36.360 -9.641 1.00 0.00 C ATOM 814 O PHE A 51 7.724 -35.934 -9.859 1.00 0.00 O ATOM 815 CB PHE A 51 4.397 -35.888 -10.815 1.00 0.00 C ATOM 816 CG PHE A 51 4.570 -34.444 -11.297 1.00 0.00 C ATOM 817 CD1 PHE A 51 5.311 -33.499 -10.604 1.00 0.00 C ATOM 818 CD2 PHE A 51 4.056 -34.064 -12.518 1.00 0.00 C ATOM 819 CE1 PHE A 51 5.565 -32.247 -11.125 1.00 0.00 C ATOM 820 CE2 PHE A 51 4.305 -32.829 -13.045 1.00 0.00 C ATOM 821 CZ PHE A 51 5.070 -31.911 -12.362 1.00 0.00 C ATOM 0 H PHE A 51 4.324 -38.300 -10.863 1.00 0.00 H new ATOM 0 HA PHE A 51 6.280 -36.536 -11.744 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.649 -36.379 -11.438 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.006 -35.874 -9.798 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.700 -33.750 -9.628 1.00 0.00 H new ATOM 0 HD2 PHE A 51 3.442 -34.759 -13.071 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.150 -31.534 -10.563 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.896 -32.569 -14.010 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.278 -30.942 -12.791 1.00 0.00 H new ATOM 831 N LYS A 52 6.118 -36.536 -8.398 1.00 0.00 N ATOM 832 CA LYS A 52 6.849 -36.158 -7.190 1.00 0.00 C ATOM 833 C LYS A 52 8.159 -36.949 -6.985 1.00 0.00 C ATOM 834 O LYS A 52 9.102 -36.387 -6.407 1.00 0.00 O ATOM 835 CB LYS A 52 5.918 -36.303 -5.956 1.00 0.00 C ATOM 836 CG LYS A 52 6.405 -35.488 -4.725 1.00 0.00 C ATOM 837 CD LYS A 52 6.525 -36.288 -3.403 1.00 0.00 C ATOM 838 CE LYS A 52 7.586 -37.405 -3.367 1.00 0.00 C ATOM 839 NZ LYS A 52 8.897 -36.861 -3.710 1.00 0.00 N ATOM 0 H LYS A 52 5.205 -36.950 -8.207 1.00 0.00 H new ATOM 0 HA LYS A 52 7.151 -35.118 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.914 -35.977 -6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.848 -37.356 -5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.378 -35.057 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.718 -34.657 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.742 -35.586 -2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.554 -36.733 -3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.618 -37.855 -2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.317 -38.196 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.629 -37.575 -3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.914 -36.607 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.082 -36.014 -3.136 1.00 0.00 H new ATOM 853 N ASP A 53 8.249 -38.234 -7.389 1.00 0.00 N ATOM 854 CA ASP A 53 9.518 -38.973 -7.357 1.00 0.00 C ATOM 855 C ASP A 53 10.546 -38.356 -8.332 1.00 0.00 C ATOM 856 O ASP A 53 11.620 -37.917 -7.896 1.00 0.00 O ATOM 857 CB ASP A 53 9.267 -40.495 -7.625 1.00 0.00 C ATOM 858 CG ASP A 53 10.429 -41.387 -7.168 1.00 0.00 C ATOM 859 OD1 ASP A 53 10.965 -41.167 -6.084 1.00 0.00 O ATOM 860 OD2 ASP A 53 10.777 -42.321 -7.889 1.00 0.00 O ATOM 0 H ASP A 53 7.458 -38.775 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 53 9.952 -38.889 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.357 -40.803 -7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.098 -40.647 -8.691 1.00 0.00 H new ATOM 865 N CYS A 54 10.195 -38.260 -9.626 1.00 0.00 N ATOM 866 CA CYS A 54 11.031 -37.593 -10.629 1.00 0.00 C ATOM 867 C CYS A 54 11.338 -36.113 -10.321 1.00 0.00 C ATOM 868 O CYS A 54 12.481 -35.705 -10.513 1.00 0.00 O ATOM 869 CB CYS A 54 10.369 -37.702 -12.014 1.00 0.00 C ATOM 870 SG CYS A 54 10.824 -39.140 -13.021 1.00 0.00 S ATOM 0 H CYS A 54 9.327 -38.642 -10.001 1.00 0.00 H new ATOM 0 HA CYS A 54 11.989 -38.112 -10.610 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.288 -37.712 -11.875 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.610 -36.801 -12.578 1.00 0.00 H new ATOM 875 N CYS A 55 10.370 -35.309 -9.851 1.00 0.00 N ATOM 876 CA CYS A 55 10.577 -33.914 -9.441 1.00 0.00 C ATOM 877 C CYS A 55 11.516 -33.761 -8.226 1.00 0.00 C ATOM 878 O CYS A 55 12.327 -32.827 -8.219 1.00 0.00 O ATOM 879 CB CYS A 55 9.199 -33.260 -9.195 1.00 0.00 C ATOM 880 SG CYS A 55 9.204 -31.500 -8.768 1.00 0.00 S ATOM 0 H CYS A 55 9.404 -35.618 -9.744 1.00 0.00 H new ATOM 0 HA CYS A 55 11.092 -33.396 -10.250 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.594 -33.392 -10.092 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.702 -33.804 -8.392 1.00 0.00 H new ATOM 885 N TYR A 56 11.444 -34.639 -7.205 1.00 0.00 N ATOM 886 CA TYR A 56 12.468 -34.707 -6.157 1.00 0.00 C ATOM 887 C TYR A 56 13.874 -34.970 -6.736 1.00 0.00 C ATOM 888 O TYR A 56 14.803 -34.216 -6.425 1.00 0.00 O ATOM 889 CB TYR A 56 12.053 -35.770 -5.094 1.00 0.00 C ATOM 890 CG TYR A 56 13.191 -36.119 -4.118 1.00 0.00 C ATOM 891 CD1 TYR A 56 13.703 -35.190 -3.225 1.00 0.00 C ATOM 892 CD2 TYR A 56 13.809 -37.358 -4.169 1.00 0.00 C ATOM 893 CE1 TYR A 56 14.799 -35.478 -2.434 1.00 0.00 C ATOM 894 CE2 TYR A 56 14.904 -37.652 -3.383 1.00 0.00 C ATOM 895 CZ TYR A 56 15.403 -36.709 -2.522 1.00 0.00 C ATOM 896 OH TYR A 56 16.502 -37.001 -1.781 1.00 0.00 O ATOM 0 H TYR A 56 10.684 -35.309 -7.089 1.00 0.00 H new ATOM 0 HA TYR A 56 12.532 -33.736 -5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.199 -35.397 -4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.727 -36.677 -5.603 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.235 -34.220 -3.146 1.00 0.00 H new ATOM 0 HD2 TYR A 56 13.424 -38.112 -4.840 1.00 0.00 H new ATOM 0 HE1 TYR A 56 15.180 -34.736 -1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 56 15.368 -38.625 -3.446 1.00 0.00 H new ATOM 0 HH TYR A 56 16.792 -37.917 -1.973 1.00 0.00 H new ATOM 906 N ILE A 57 14.042 -36.002 -7.581 1.00 0.00 N ATOM 907 CA ILE A 57 15.346 -36.282 -8.203 1.00 0.00 C ATOM 908 C ILE A 57 15.801 -35.173 -9.183 1.00 0.00 C ATOM 909 O ILE A 57 16.992 -34.863 -9.242 1.00 0.00 O ATOM 910 CB ILE A 57 15.383 -37.706 -8.814 1.00 0.00 C ATOM 911 CG1 ILE A 57 15.004 -38.752 -7.734 1.00 0.00 C ATOM 912 CG2 ILE A 57 16.791 -38.070 -9.349 1.00 0.00 C ATOM 913 CD1 ILE A 57 14.162 -39.868 -8.337 1.00 0.00 C ATOM 0 H ILE A 57 13.300 -36.649 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 57 16.093 -36.266 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 57 14.673 -37.716 -9.641 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.909 -39.170 -7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.451 -38.267 -6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.772 -39.076 -9.768 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.081 -37.360 -10.123 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.512 -38.031 -8.532 1.00 0.00 H new ATOM 0 HD11 ILE A 57 13.907 -40.591 -7.562 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.248 -39.448 -8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 57 14.727 -40.365 -9.125 1.00 0.00 H new ATOM 925 N ALA A 58 14.881 -34.550 -9.933 1.00 0.00 N ATOM 926 CA ALA A 58 15.142 -33.322 -10.702 1.00 0.00 C ATOM 927 C ALA A 58 15.661 -32.145 -9.843 1.00 0.00 C ATOM 928 O ALA A 58 16.636 -31.500 -10.237 1.00 0.00 O ATOM 929 CB ALA A 58 13.870 -32.919 -11.445 1.00 0.00 C ATOM 0 H ALA A 58 13.923 -34.888 -10.025 1.00 0.00 H new ATOM 0 HA ALA A 58 15.944 -33.549 -11.405 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.055 -32.010 -12.017 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.575 -33.720 -12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.070 -32.739 -10.726 1.00 0.00 H new ATOM 935 N ASN A 59 15.047 -31.847 -8.683 1.00 0.00 N ATOM 936 CA ASN A 59 15.588 -30.867 -7.726 1.00 0.00 C ATOM 937 C ASN A 59 16.930 -31.301 -7.090 1.00 0.00 C ATOM 938 O ASN A 59 17.787 -30.450 -6.841 1.00 0.00 O ATOM 939 CB ASN A 59 14.547 -30.504 -6.636 1.00 0.00 C ATOM 940 CG ASN A 59 13.368 -29.726 -7.225 1.00 0.00 C ATOM 941 OD1 ASN A 59 13.484 -28.589 -7.676 1.00 0.00 O ATOM 942 ND2 ASN A 59 12.187 -30.310 -7.235 1.00 0.00 N ATOM 0 H ASN A 59 14.170 -32.275 -8.386 1.00 0.00 H new ATOM 0 HA ASN A 59 15.804 -29.972 -8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.183 -31.415 -6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.025 -29.909 -5.858 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.378 -29.818 -7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.082 -31.254 -6.863 1.00 0.00 H new ATOM 949 N GLN A 60 17.125 -32.602 -6.819 1.00 0.00 N ATOM 950 CA GLN A 60 18.429 -33.183 -6.462 1.00 0.00 C ATOM 951 C GLN A 60 19.495 -32.960 -7.561 1.00 0.00 C ATOM 952 O GLN A 60 20.619 -32.567 -7.239 1.00 0.00 O ATOM 953 CB GLN A 60 18.194 -34.688 -6.190 1.00 0.00 C ATOM 954 CG GLN A 60 19.385 -35.525 -5.661 1.00 0.00 C ATOM 955 CD GLN A 60 18.993 -37.005 -5.612 1.00 0.00 C ATOM 956 OE1 GLN A 60 19.267 -37.772 -6.532 1.00 0.00 O ATOM 957 NE2 GLN A 60 18.334 -37.488 -4.575 1.00 0.00 N ATOM 0 H GLN A 60 16.371 -33.289 -6.842 1.00 0.00 H new ATOM 0 HA GLN A 60 18.827 -32.688 -5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.379 -34.774 -5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.850 -35.145 -7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.253 -35.390 -6.307 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.671 -35.181 -4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.092 -36.877 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.067 -38.472 -4.554 1.00 0.00 H new ATOM 966 N VAL A 61 19.166 -33.181 -8.848 1.00 0.00 N ATOM 967 CA VAL A 61 20.023 -32.807 -9.987 1.00 0.00 C ATOM 968 C VAL A 61 20.294 -31.287 -10.052 1.00 0.00 C ATOM 969 O VAL A 61 21.447 -30.908 -10.267 1.00 0.00 O ATOM 970 CB VAL A 61 19.454 -33.369 -11.336 1.00 0.00 C ATOM 971 CG1 VAL A 61 20.221 -32.917 -12.602 1.00 0.00 C ATOM 972 CG2 VAL A 61 19.478 -34.911 -11.345 1.00 0.00 C ATOM 0 H VAL A 61 18.292 -33.627 -9.127 1.00 0.00 H new ATOM 0 HA VAL A 61 20.993 -33.276 -9.824 1.00 0.00 H new ATOM 0 HB VAL A 61 18.443 -32.965 -11.378 1.00 0.00 H new ATOM 0 HG11 VAL A 61 19.756 -33.355 -13.485 1.00 0.00 H new ATOM 0 HG12 VAL A 61 20.191 -31.830 -12.677 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.258 -33.247 -12.537 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.078 -35.276 -12.291 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.504 -35.260 -11.226 1.00 0.00 H new ATOM 0 HG23 VAL A 61 18.869 -35.289 -10.524 1.00 0.00 H new ATOM 982 N ARG A 62 19.296 -30.407 -9.856 1.00 0.00 N ATOM 983 CA ARG A 62 19.512 -28.954 -9.725 1.00 0.00 C ATOM 984 C ARG A 62 20.392 -28.547 -8.522 1.00 0.00 C ATOM 985 O ARG A 62 21.104 -27.545 -8.605 1.00 0.00 O ATOM 986 CB ARG A 62 18.152 -28.208 -9.656 1.00 0.00 C ATOM 987 CG ARG A 62 17.317 -28.271 -10.957 1.00 0.00 C ATOM 988 CD ARG A 62 17.782 -27.291 -12.050 1.00 0.00 C ATOM 989 NE ARG A 62 17.031 -27.567 -13.278 1.00 0.00 N ATOM 990 CZ ARG A 62 15.807 -27.205 -13.541 1.00 0.00 C ATOM 991 NH1 ARG A 62 15.068 -26.494 -12.779 1.00 0.00 N ATOM 992 NH2 ARG A 62 15.277 -27.594 -14.630 1.00 0.00 N ATOM 0 H ARG A 62 18.317 -30.683 -9.784 1.00 0.00 H new ATOM 0 HA ARG A 62 20.063 -28.660 -10.618 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.563 -28.628 -8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.338 -27.163 -9.409 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.357 -29.286 -11.353 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.274 -28.063 -10.717 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.618 -26.262 -11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.852 -27.403 -12.228 1.00 0.00 H new ATOM 0 HE ARG A 62 17.517 -28.097 -14.002 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.428 -26.163 -11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.118 -26.257 -13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.809 -28.177 -15.276 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.320 -27.323 -14.857 1.00 0.00 H new ATOM 1006 N ALA A 63 20.342 -29.269 -7.392 1.00 0.00 N ATOM 1007 CA ALA A 63 21.313 -29.116 -6.303 1.00 0.00 C ATOM 1008 C ALA A 63 22.735 -29.609 -6.659 1.00 0.00 C ATOM 1009 O ALA A 63 23.716 -29.057 -6.158 1.00 0.00 O ATOM 1010 CB ALA A 63 20.774 -29.845 -5.056 1.00 0.00 C ATOM 0 H ALA A 63 19.628 -29.974 -7.210 1.00 0.00 H new ATOM 0 HA ALA A 63 21.423 -28.049 -6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 63 21.486 -29.740 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.818 -29.409 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.636 -30.902 -5.284 1.00 0.00 H new ATOM 1016 N GLU A 64 22.870 -30.660 -7.484 1.00 0.00 N ATOM 1017 CA GLU A 64 24.158 -31.078 -8.057 1.00 0.00 C ATOM 1018 C GLU A 64 24.661 -30.134 -9.172 1.00 0.00 C ATOM 1019 O GLU A 64 25.825 -29.734 -9.160 1.00 0.00 O ATOM 1020 CB GLU A 64 24.045 -32.525 -8.613 1.00 0.00 C ATOM 1021 CG GLU A 64 23.739 -33.594 -7.521 1.00 0.00 C ATOM 1022 CD GLU A 64 23.456 -34.972 -8.120 1.00 0.00 C ATOM 1023 OE1 GLU A 64 22.294 -35.270 -8.409 1.00 0.00 O ATOM 1024 OE2 GLU A 64 24.391 -35.752 -8.274 1.00 0.00 O ATOM 0 H GLU A 64 22.086 -31.245 -7.773 1.00 0.00 H new ATOM 0 HA GLU A 64 24.888 -31.036 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.259 -32.554 -9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.977 -32.786 -9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.585 -33.664 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.880 -33.273 -6.932 1.00 0.00 H new ATOM 1031 N GLN A 65 23.820 -29.778 -10.152 1.00 0.00 N ATOM 1032 CA GLN A 65 24.208 -28.902 -11.262 1.00 0.00 C ATOM 1033 C GLN A 65 23.113 -27.874 -11.641 1.00 0.00 C ATOM 1034 O GLN A 65 22.005 -28.260 -12.028 1.00 0.00 O ATOM 1035 CB GLN A 65 24.585 -29.809 -12.474 1.00 0.00 C ATOM 1036 CG GLN A 65 25.214 -29.051 -13.680 1.00 0.00 C ATOM 1037 CD GLN A 65 25.486 -30.004 -14.844 1.00 0.00 C ATOM 1038 OE1 GLN A 65 26.592 -30.491 -15.032 1.00 0.00 O ATOM 1039 NE2 GLN A 65 24.507 -30.310 -15.672 1.00 0.00 N ATOM 0 H GLN A 65 22.850 -30.091 -10.196 1.00 0.00 H new ATOM 0 HA GLN A 65 25.062 -28.299 -10.952 1.00 0.00 H new ATOM 0 HB2 GLN A 65 25.286 -30.572 -12.136 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.689 -30.328 -12.815 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.542 -28.256 -14.005 1.00 0.00 H new ATOM 0 HG3 GLN A 65 26.144 -28.575 -13.370 1.00 0.00 H new ATOM 0 HE21 GLN A 65 23.578 -29.914 -15.532 1.00 0.00 H new ATOM 0 HE22 GLN A 65 24.679 -30.943 -16.453 1.00 0.00 H new ATOM 1048 N SER A 66 23.392 -26.679 -11.564 1.00 0.00 N TER 1049 SER A 66