USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 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 22 THR OG1 : rot 180:sc=0.000589 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.0162 K(o=0.017,f=-1.2) USER MOD Set 2.1: A 7 THR OG1 : rot 90:sc= 1.27 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.155) USER MOD Single : A 1 MET N :NH3+ -112:sc= 1.54 (180deg=1.12) USER MOD Single : A 2 GLN : amide:sc= 0.229! C(o=0.23!,f=-5.6!) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0225) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0.451) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.629 K(o=0.63,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.51) USER MOD Single : A 41 GLN : amide:sc= 0.715 K(o=0.72,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0719 X(o=-0.072,f=-0.072) USER MOD Single : A 55 THR OG1 : rot -59:sc= 0.625 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.255 USER MOD Single : A 60 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.81) USER MOD Single : A 62 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.067) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.22) USER MOD Single : A 65 SER OG : rot 108:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.456 43.087 -11.689 1.00 0.00 N ATOM 2 CA MET A 1 -5.801 44.204 -10.670 1.00 0.00 C ATOM 3 C MET A 1 -4.492 44.790 -10.113 1.00 0.00 C ATOM 4 O MET A 1 -3.355 44.339 -10.427 1.00 0.00 O ATOM 5 CB MET A 1 -6.619 43.561 -9.481 1.00 0.00 C ATOM 6 CG MET A 1 -5.845 42.587 -8.631 1.00 0.00 C ATOM 7 SD MET A 1 -5.831 40.907 -9.345 1.00 0.00 S ATOM 8 CE MET A 1 -5.238 39.995 -7.875 1.00 0.00 C ATOM 0 H1 MET A 1 -5.727 43.394 -12.645 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.434 42.897 -11.663 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.976 42.220 -11.443 1.00 0.00 H new ATOM 0 HA MET A 1 -6.385 44.989 -11.151 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.992 44.361 -8.842 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.489 43.050 -9.893 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.820 42.940 -8.518 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.282 42.552 -7.633 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.975 38.976 -8.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.360 40.495 -7.466 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.025 39.969 -7.121 1.00 0.00 H new ATOM 18 N GLN A 2 -4.634 45.790 -9.217 1.00 0.00 N ATOM 19 CA GLN A 2 -3.525 46.248 -8.397 1.00 0.00 C ATOM 20 C GLN A 2 -3.667 45.869 -6.914 1.00 0.00 C ATOM 21 O GLN A 2 -4.706 46.040 -6.312 1.00 0.00 O ATOM 22 CB GLN A 2 -3.429 47.791 -8.537 1.00 0.00 C ATOM 23 CG GLN A 2 -4.543 48.636 -7.789 1.00 0.00 C ATOM 24 CD GLN A 2 -5.979 48.366 -8.272 1.00 0.00 C ATOM 25 OE1 GLN A 2 -6.566 47.275 -8.039 1.00 0.00 O ATOM 26 NE2 GLN A 2 -6.596 49.281 -8.909 1.00 0.00 N ATOM 0 H GLN A 2 -5.510 46.286 -9.054 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.620 45.755 -8.751 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.454 48.108 -8.167 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.465 48.041 -9.597 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.486 48.424 -6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.324 49.696 -7.916 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.132 50.168 -9.104 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.554 49.126 -9.224 1.00 0.00 H new ATOM 35 N ILE A 3 -2.585 45.403 -6.324 1.00 0.00 N ATOM 36 CA ILE A 3 -2.539 45.118 -4.842 1.00 0.00 C ATOM 37 C ILE A 3 -1.290 45.796 -4.276 1.00 0.00 C ATOM 38 O ILE A 3 -0.372 46.090 -5.005 1.00 0.00 O ATOM 39 CB ILE A 3 -2.543 43.648 -4.402 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.347 42.920 -5.042 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.891 42.965 -4.795 1.00 0.00 C ATOM 42 CD1 ILE A 3 -1.274 41.418 -4.566 1.00 0.00 C ATOM 0 H ILE A 3 -1.714 45.204 -6.815 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.479 45.509 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.448 43.594 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.434 42.957 -6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.422 43.433 -4.779 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.877 41.923 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.717 43.483 -4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.021 43.012 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.420 40.929 -5.034 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.162 41.385 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.190 40.901 -4.852 1.00 0.00 H new ATOM 54 N PHE A 4 -1.248 45.973 -2.944 1.00 0.00 N ATOM 55 CA PHE A 4 -0.071 46.552 -2.246 1.00 0.00 C ATOM 56 C PHE A 4 0.715 45.418 -1.525 1.00 0.00 C ATOM 57 O PHE A 4 0.254 44.310 -1.247 1.00 0.00 O ATOM 58 CB PHE A 4 -0.586 47.702 -1.338 1.00 0.00 C ATOM 59 CG PHE A 4 -1.492 48.686 -2.178 1.00 0.00 C ATOM 60 CD1 PHE A 4 -0.910 49.576 -3.065 1.00 0.00 C ATOM 61 CD2 PHE A 4 -2.885 48.699 -2.096 1.00 0.00 C ATOM 62 CE1 PHE A 4 -1.662 50.557 -3.741 1.00 0.00 C ATOM 63 CE2 PHE A 4 -3.681 49.684 -2.767 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.042 50.569 -3.650 1.00 0.00 C ATOM 0 H PHE A 4 -2.016 45.724 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 4 0.657 46.996 -2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.156 47.291 -0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.257 48.245 -0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.153 49.516 -3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.380 47.941 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.157 51.305 -4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.746 49.744 -2.598 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.622 51.252 -4.252 1.00 0.00 H new ATOM 74 N VAL A 5 1.964 45.709 -1.270 1.00 0.00 N ATOM 75 CA VAL A 5 2.830 44.872 -0.377 1.00 0.00 C ATOM 76 C VAL A 5 3.499 45.827 0.645 1.00 0.00 C ATOM 77 O VAL A 5 4.121 46.834 0.299 1.00 0.00 O ATOM 78 CB VAL A 5 3.881 44.043 -1.165 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.999 43.447 -0.285 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.222 42.782 -1.856 1.00 0.00 C ATOM 0 H VAL A 5 2.439 46.524 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 5 2.217 44.131 0.136 1.00 0.00 H new ATOM 0 HB VAL A 5 4.289 44.763 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.692 42.883 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.536 44.252 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.561 42.784 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.985 42.224 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.777 42.141 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.449 43.110 -2.551 1.00 0.00 H new ATOM 90 N LYS A 6 3.348 45.461 1.901 1.00 0.00 N ATOM 91 CA LYS A 6 3.715 46.305 3.029 1.00 0.00 C ATOM 92 C LYS A 6 4.778 45.553 3.836 1.00 0.00 C ATOM 93 O LYS A 6 4.634 44.386 4.222 1.00 0.00 O ATOM 94 CB LYS A 6 2.456 46.576 3.884 1.00 0.00 C ATOM 95 CG LYS A 6 2.580 47.627 4.986 1.00 0.00 C ATOM 96 CD LYS A 6 2.893 49.016 4.381 1.00 0.00 C ATOM 97 CE LYS A 6 2.504 50.184 5.373 1.00 0.00 C ATOM 98 NZ LYS A 6 3.144 50.017 6.724 1.00 0.00 N ATOM 0 H LYS A 6 2.962 44.558 2.175 1.00 0.00 H new ATOM 0 HA LYS A 6 4.115 47.265 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.651 46.880 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.150 45.637 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.653 47.674 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.369 47.341 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.955 49.079 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.348 49.137 3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.808 51.139 4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.420 50.216 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.931 50.846 7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.770 49.161 7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.174 49.928 6.612 1.00 0.00 H new ATOM 112 N THR A 7 5.912 46.238 4.075 1.00 0.00 N ATOM 113 CA THR A 7 7.120 45.552 4.543 1.00 0.00 C ATOM 114 C THR A 7 7.482 45.967 5.975 1.00 0.00 C ATOM 115 O THR A 7 7.160 47.050 6.447 1.00 0.00 O ATOM 116 CB THR A 7 8.283 45.709 3.555 1.00 0.00 C ATOM 117 OG1 THR A 7 8.819 47.031 3.594 1.00 0.00 O ATOM 118 CG2 THR A 7 7.806 45.437 2.108 1.00 0.00 C ATOM 0 H THR A 7 6.012 47.246 3.953 1.00 0.00 H new ATOM 0 HA THR A 7 6.904 44.484 4.581 1.00 0.00 H new ATOM 0 HB THR A 7 9.049 44.990 3.847 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.531 47.076 4.266 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.644 45.553 1.421 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.417 44.421 2.038 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.020 46.145 1.845 1.00 0.00 H new ATOM 126 N LEU A 8 8.251 45.118 6.663 1.00 0.00 N ATOM 127 CA LEU A 8 8.669 45.386 8.039 1.00 0.00 C ATOM 128 C LEU A 8 9.762 46.463 8.143 1.00 0.00 C ATOM 129 O LEU A 8 9.957 47.093 9.173 1.00 0.00 O ATOM 130 CB LEU A 8 9.167 44.021 8.607 1.00 0.00 C ATOM 131 CG LEU A 8 9.826 44.034 10.022 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.806 44.528 11.169 1.00 0.00 C ATOM 133 CD2 LEU A 8 10.405 42.640 10.379 1.00 0.00 C ATOM 0 H LEU A 8 8.597 44.236 6.286 1.00 0.00 H new ATOM 0 HA LEU A 8 7.833 45.788 8.611 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.318 43.338 8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.887 43.605 7.903 1.00 0.00 H new ATOM 0 HG LEU A 8 10.643 44.754 9.980 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.312 44.519 12.134 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.469 45.540 10.945 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.946 43.859 11.204 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.858 42.677 11.370 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.604 41.901 10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.161 42.361 9.645 1.00 0.00 H new ATOM 145 N THR A 9 10.511 46.609 7.070 1.00 0.00 N ATOM 146 CA THR A 9 11.452 47.713 6.862 1.00 0.00 C ATOM 147 C THR A 9 10.783 49.086 6.704 1.00 0.00 C ATOM 148 O THR A 9 11.455 50.120 6.792 1.00 0.00 O ATOM 149 CB THR A 9 12.141 47.469 5.488 1.00 0.00 C ATOM 150 OG1 THR A 9 11.258 46.995 4.527 1.00 0.00 O ATOM 151 CG2 THR A 9 13.332 46.515 5.694 1.00 0.00 C ATOM 0 H THR A 9 10.489 45.950 6.292 1.00 0.00 H new ATOM 0 HA THR A 9 12.107 47.729 7.733 1.00 0.00 H new ATOM 0 HB THR A 9 12.503 48.422 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.736 46.859 3.682 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.824 46.336 4.738 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.042 46.964 6.389 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.974 45.569 6.101 1.00 0.00 H new ATOM 159 N GLY A 10 9.488 49.133 6.403 1.00 0.00 N ATOM 160 CA GLY A 10 8.774 50.425 6.326 1.00 0.00 C ATOM 161 C GLY A 10 8.543 50.986 4.923 1.00 0.00 C ATOM 162 O GLY A 10 8.675 52.204 4.712 1.00 0.00 O ATOM 0 H GLY A 10 8.912 48.314 6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.806 50.311 6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.335 51.161 6.901 1.00 0.00 H new ATOM 166 N LYS A 11 8.234 50.131 3.930 1.00 0.00 N ATOM 167 CA LYS A 11 7.990 50.556 2.532 1.00 0.00 C ATOM 168 C LYS A 11 6.567 50.083 2.202 1.00 0.00 C ATOM 169 O LYS A 11 6.115 49.040 2.708 1.00 0.00 O ATOM 170 CB LYS A 11 8.909 49.890 1.406 1.00 0.00 C ATOM 171 CG LYS A 11 10.392 49.580 1.753 1.00 0.00 C ATOM 172 CD LYS A 11 11.138 50.907 1.893 1.00 0.00 C ATOM 173 CE LYS A 11 12.630 50.742 1.711 1.00 0.00 C ATOM 174 NZ LYS A 11 13.040 50.483 0.292 1.00 0.00 N ATOM 0 H LYS A 11 8.146 49.125 4.071 1.00 0.00 H new ATOM 0 HA LYS A 11 8.188 51.627 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.437 48.956 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.902 50.549 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.454 49.010 2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.845 48.970 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.759 51.615 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.938 51.333 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.132 51.642 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.974 49.918 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.992 50.869 0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.047 49.458 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.366 50.942 -0.353 1.00 0.00 H new ATOM 188 N THR A 12 5.840 50.913 1.451 1.00 0.00 N ATOM 189 CA THR A 12 4.585 50.476 0.833 1.00 0.00 C ATOM 190 C THR A 12 4.861 50.304 -0.662 1.00 0.00 C ATOM 191 O THR A 12 5.204 51.249 -1.321 1.00 0.00 O ATOM 192 CB THR A 12 3.397 51.415 1.064 1.00 0.00 C ATOM 193 OG1 THR A 12 3.272 51.750 2.451 1.00 0.00 O ATOM 194 CG2 THR A 12 2.103 50.674 0.536 1.00 0.00 C ATOM 0 H THR A 12 6.094 51.882 1.257 1.00 0.00 H new ATOM 0 HA THR A 12 4.280 49.543 1.306 1.00 0.00 H new ATOM 0 HB THR A 12 3.541 52.353 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.508 52.352 2.575 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.232 51.313 0.683 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.217 50.455 -0.526 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.967 49.743 1.086 1.00 0.00 H new ATOM 202 N ILE A 13 4.732 49.070 -1.216 1.00 0.00 N ATOM 203 CA ILE A 13 5.063 48.800 -2.618 1.00 0.00 C ATOM 204 C ILE A 13 3.738 48.606 -3.396 1.00 0.00 C ATOM 205 O ILE A 13 2.886 47.838 -2.970 1.00 0.00 O ATOM 206 CB ILE A 13 5.945 47.504 -2.641 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.230 47.602 -1.742 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.412 47.259 -4.136 1.00 0.00 C ATOM 209 CD1 ILE A 13 8.049 48.916 -2.019 1.00 0.00 C ATOM 0 H ILE A 13 4.400 48.254 -0.703 1.00 0.00 H new ATOM 0 HA ILE A 13 5.614 49.616 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 13 5.336 46.691 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.940 47.571 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.865 46.735 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.029 46.362 -4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.538 47.131 -4.774 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.991 48.115 -4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.928 48.940 -1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.363 48.936 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.424 49.785 -1.812 1.00 0.00 H new ATOM 221 N THR A 14 3.561 49.230 -4.598 1.00 0.00 N ATOM 222 CA THR A 14 2.450 48.969 -5.545 1.00 0.00 C ATOM 223 C THR A 14 2.846 48.019 -6.704 1.00 0.00 C ATOM 224 O THR A 14 3.790 48.234 -7.478 1.00 0.00 O ATOM 225 CB THR A 14 2.035 50.272 -6.287 1.00 0.00 C ATOM 226 OG1 THR A 14 1.838 51.343 -5.359 1.00 0.00 O ATOM 227 CG2 THR A 14 0.629 49.996 -6.943 1.00 0.00 C ATOM 0 H THR A 14 4.206 49.944 -4.937 1.00 0.00 H new ATOM 0 HA THR A 14 1.664 48.543 -4.921 1.00 0.00 H new ATOM 0 HB THR A 14 2.809 50.540 -7.006 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.579 52.154 -5.845 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.296 50.886 -7.477 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.711 49.163 -7.641 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.093 49.748 -6.165 1.00 0.00 H new ATOM 235 N LEU A 15 2.107 46.912 -6.908 1.00 0.00 N ATOM 236 CA LEU A 15 2.378 46.011 -8.032 1.00 0.00 C ATOM 237 C LEU A 15 1.062 45.529 -8.623 1.00 0.00 C ATOM 238 O LEU A 15 0.079 45.338 -7.931 1.00 0.00 O ATOM 239 CB LEU A 15 3.295 44.816 -7.701 1.00 0.00 C ATOM 240 CG LEU A 15 2.744 43.896 -6.599 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.550 42.515 -6.680 1.00 0.00 C ATOM 242 CD2 LEU A 15 2.822 44.456 -5.142 1.00 0.00 C ATOM 0 H LEU A 15 1.328 46.627 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 15 2.938 46.597 -8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.452 44.229 -8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.270 45.193 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 15 1.677 43.786 -6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.185 41.835 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.403 42.065 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.612 42.704 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.406 43.725 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.862 44.651 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.252 45.383 -5.077 1.00 0.00 H new ATOM 254 N GLU A 16 1.094 45.495 -9.947 1.00 0.00 N ATOM 255 CA GLU A 16 -0.072 45.190 -10.810 1.00 0.00 C ATOM 256 C GLU A 16 0.001 43.722 -11.380 1.00 0.00 C ATOM 257 O GLU A 16 1.029 43.363 -11.960 1.00 0.00 O ATOM 258 CB GLU A 16 -0.202 46.293 -11.911 1.00 0.00 C ATOM 259 CG GLU A 16 -0.395 47.718 -11.262 1.00 0.00 C ATOM 260 CD GLU A 16 0.434 48.671 -12.143 1.00 0.00 C ATOM 261 OE1 GLU A 16 0.001 48.919 -13.274 1.00 0.00 O ATOM 262 OE2 GLU A 16 1.458 49.137 -11.671 1.00 0.00 O ATOM 0 H GLU A 16 1.945 45.681 -10.478 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.988 45.215 -10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.689 46.293 -12.538 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.048 46.067 -12.559 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.446 48.007 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.047 47.732 -10.229 1.00 0.00 H new ATOM 269 N VAL A 17 -1.018 42.890 -11.007 1.00 0.00 N ATOM 270 CA VAL A 17 -0.937 41.407 -11.091 1.00 0.00 C ATOM 271 C VAL A 17 -2.302 40.835 -11.514 1.00 0.00 C ATOM 272 O VAL A 17 -3.320 41.540 -11.474 1.00 0.00 O ATOM 273 CB VAL A 17 -0.469 40.739 -9.770 1.00 0.00 C ATOM 274 CG1 VAL A 17 1.009 41.247 -9.417 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.476 41.005 -8.573 1.00 0.00 C ATOM 0 H VAL A 17 -1.908 43.230 -10.644 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.179 41.176 -11.840 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.453 39.659 -9.916 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.342 40.781 -8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.689 40.976 -10.224 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.002 42.330 -9.296 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.106 40.518 -7.671 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.558 42.078 -8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.457 40.602 -8.826 1.00 0.00 H new ATOM 285 N GLU A 18 -2.312 39.565 -11.962 1.00 0.00 N ATOM 286 CA GLU A 18 -3.559 38.973 -12.459 1.00 0.00 C ATOM 287 C GLU A 18 -4.004 37.772 -11.573 1.00 0.00 C ATOM 288 O GLU A 18 -3.145 37.253 -10.929 1.00 0.00 O ATOM 289 CB GLU A 18 -3.355 38.419 -13.866 1.00 0.00 C ATOM 290 CG GLU A 18 -3.147 39.588 -14.907 1.00 0.00 C ATOM 291 CD GLU A 18 -2.861 39.069 -16.370 1.00 0.00 C ATOM 292 OE1 GLU A 18 -1.800 39.372 -16.943 1.00 0.00 O ATOM 293 OE2 GLU A 18 -3.807 38.510 -16.970 1.00 0.00 O ATOM 0 H GLU A 18 -1.498 38.950 -11.989 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.312 39.761 -12.443 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.489 37.757 -13.879 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.219 37.820 -14.154 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.036 40.219 -14.919 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.316 40.214 -14.581 1.00 0.00 H new ATOM 300 N PRO A 19 -5.189 37.358 -11.592 1.00 0.00 N ATOM 301 CA PRO A 19 -5.608 36.169 -10.700 1.00 0.00 C ATOM 302 C PRO A 19 -5.017 34.836 -11.056 1.00 0.00 C ATOM 303 O PRO A 19 -5.054 33.934 -10.261 1.00 0.00 O ATOM 304 CB PRO A 19 -7.137 36.134 -10.933 1.00 0.00 C ATOM 305 CG PRO A 19 -7.366 37.601 -11.054 1.00 0.00 C ATOM 306 CD PRO A 19 -6.357 38.114 -12.091 1.00 0.00 C ATOM 0 HA PRO A 19 -5.265 36.318 -9.676 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.417 35.585 -11.832 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.683 35.686 -10.103 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.388 37.810 -11.371 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.222 38.097 -10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.627 37.860 -13.116 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.217 39.194 -12.056 1.00 0.00 H new ATOM 314 N SER A 20 -4.531 34.695 -12.282 1.00 0.00 N ATOM 315 CA SER A 20 -3.736 33.515 -12.775 1.00 0.00 C ATOM 316 C SER A 20 -2.276 33.616 -12.323 1.00 0.00 C ATOM 317 O SER A 20 -1.658 32.564 -12.261 1.00 0.00 O ATOM 318 CB SER A 20 -3.752 33.429 -14.314 1.00 0.00 C ATOM 319 OG SER A 20 -3.082 34.523 -14.957 1.00 0.00 O ATOM 0 H SER A 20 -4.668 35.404 -13.002 1.00 0.00 H new ATOM 0 HA SER A 20 -4.202 32.624 -12.353 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.283 32.495 -14.622 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.786 33.395 -14.657 1.00 0.00 H new ATOM 0 HG SER A 20 -3.126 34.408 -15.929 1.00 0.00 H new ATOM 325 N ASP A 21 -1.717 34.830 -11.977 1.00 0.00 N ATOM 326 CA ASP A 21 -0.339 34.957 -11.457 1.00 0.00 C ATOM 327 C ASP A 21 -0.126 34.113 -10.218 1.00 0.00 C ATOM 328 O ASP A 21 -0.942 34.061 -9.295 1.00 0.00 O ATOM 329 CB ASP A 21 -0.026 36.460 -11.128 1.00 0.00 C ATOM 330 CG ASP A 21 0.147 37.299 -12.394 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.227 36.713 -13.468 1.00 0.00 O ATOM 332 OD2 ASP A 21 0.268 38.516 -12.239 1.00 0.00 O ATOM 0 H ASP A 21 -2.212 35.718 -12.055 1.00 0.00 H new ATOM 0 HA ASP A 21 0.339 34.598 -12.231 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.834 36.875 -10.526 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.882 36.518 -10.528 1.00 0.00 H new ATOM 337 N THR A 22 1.088 33.465 -10.124 1.00 0.00 N ATOM 338 CA THR A 22 1.498 32.817 -8.921 1.00 0.00 C ATOM 339 C THR A 22 2.284 33.668 -7.902 1.00 0.00 C ATOM 340 O THR A 22 2.815 34.741 -8.170 1.00 0.00 O ATOM 341 CB THR A 22 2.386 31.560 -9.182 1.00 0.00 C ATOM 342 OG1 THR A 22 3.464 31.853 -10.061 1.00 0.00 O ATOM 343 CG2 THR A 22 1.595 30.471 -9.955 1.00 0.00 C ATOM 0 H THR A 22 1.762 33.404 -10.887 1.00 0.00 H new ATOM 0 HA THR A 22 0.527 32.571 -8.491 1.00 0.00 H new ATOM 0 HB THR A 22 2.719 31.238 -8.195 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.000 31.045 -10.202 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.237 29.606 -10.124 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.726 30.169 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.266 30.872 -10.914 1.00 0.00 H new ATOM 351 N ILE A 23 2.230 33.161 -6.624 1.00 0.00 N ATOM 352 CA ILE A 23 2.990 33.748 -5.470 1.00 0.00 C ATOM 353 C ILE A 23 4.473 33.745 -5.768 1.00 0.00 C ATOM 354 O ILE A 23 5.176 34.647 -5.294 1.00 0.00 O ATOM 355 CB ILE A 23 2.696 32.953 -4.167 1.00 0.00 C ATOM 356 CG1 ILE A 23 1.237 33.257 -3.670 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.736 33.308 -3.044 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.910 34.790 -3.309 1.00 0.00 C ATOM 0 H ILE A 23 1.668 32.348 -6.371 1.00 0.00 H new ATOM 0 HA ILE A 23 2.665 34.778 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 23 2.785 31.889 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.539 32.931 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.043 32.649 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.508 32.738 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.740 33.059 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.683 34.374 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.125 34.873 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.573 35.125 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.060 35.412 -4.192 1.00 0.00 H new ATOM 370 N GLU A 24 4.942 32.731 -6.545 1.00 0.00 N ATOM 371 CA GLU A 24 6.269 32.765 -7.261 1.00 0.00 C ATOM 372 C GLU A 24 6.490 33.997 -8.151 1.00 0.00 C ATOM 373 O GLU A 24 7.439 34.763 -7.889 1.00 0.00 O ATOM 374 CB GLU A 24 6.469 31.423 -7.916 1.00 0.00 C ATOM 375 CG GLU A 24 7.720 31.296 -8.921 1.00 0.00 C ATOM 376 CD GLU A 24 7.761 29.879 -9.453 1.00 0.00 C ATOM 377 OE1 GLU A 24 7.408 29.644 -10.626 1.00 0.00 O ATOM 378 OE2 GLU A 24 8.226 29.040 -8.717 1.00 0.00 O ATOM 0 H GLU A 24 4.422 31.867 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 24 7.074 32.913 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.583 30.674 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.562 31.173 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.622 32.007 -9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.649 31.534 -8.403 1.00 0.00 H new ATOM 385 N ASN A 25 5.574 34.306 -9.069 1.00 0.00 N ATOM 386 CA ASN A 25 5.607 35.580 -9.852 1.00 0.00 C ATOM 387 C ASN A 25 5.588 36.869 -8.957 1.00 0.00 C ATOM 388 O ASN A 25 6.417 37.764 -9.183 1.00 0.00 O ATOM 389 CB ASN A 25 4.419 35.689 -10.836 1.00 0.00 C ATOM 390 CG ASN A 25 4.242 34.464 -11.783 1.00 0.00 C ATOM 391 OD1 ASN A 25 3.157 34.280 -12.347 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.282 33.749 -12.152 1.00 0.00 N ATOM 0 H ASN A 25 4.788 33.699 -9.303 1.00 0.00 H new ATOM 0 HA ASN A 25 6.553 35.533 -10.391 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.502 35.823 -10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.549 36.585 -11.444 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.187 33.055 -12.893 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.184 33.888 -11.697 1.00 0.00 H new ATOM 399 N VAL A 26 4.743 36.939 -7.949 1.00 0.00 N ATOM 400 CA VAL A 26 4.735 38.120 -7.008 1.00 0.00 C ATOM 401 C VAL A 26 6.052 38.305 -6.260 1.00 0.00 C ATOM 402 O VAL A 26 6.518 39.439 -6.123 1.00 0.00 O ATOM 403 CB VAL A 26 3.543 37.995 -6.012 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.539 39.245 -5.070 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.178 37.946 -6.818 1.00 0.00 C ATOM 0 H VAL A 26 4.050 36.222 -7.734 1.00 0.00 H new ATOM 0 HA VAL A 26 4.610 39.014 -7.619 1.00 0.00 H new ATOM 0 HB VAL A 26 3.649 37.083 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.709 39.169 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.478 39.288 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.428 40.150 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.346 37.859 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.067 38.860 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.181 37.086 -7.488 1.00 0.00 H new ATOM 415 N LYS A 27 6.689 37.220 -5.815 1.00 0.00 N ATOM 416 CA LYS A 27 8.075 37.334 -5.291 1.00 0.00 C ATOM 417 C LYS A 27 9.071 37.855 -6.309 1.00 0.00 C ATOM 418 O LYS A 27 9.888 38.727 -5.976 1.00 0.00 O ATOM 419 CB LYS A 27 8.622 35.918 -4.816 1.00 0.00 C ATOM 420 CG LYS A 27 7.931 35.675 -3.462 1.00 0.00 C ATOM 421 CD LYS A 27 8.092 34.216 -2.854 1.00 0.00 C ATOM 422 CE LYS A 27 7.258 34.177 -1.538 1.00 0.00 C ATOM 423 NZ LYS A 27 7.450 32.830 -0.806 1.00 0.00 N ATOM 0 H LYS A 27 6.296 36.279 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 27 7.998 38.043 -4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.376 35.136 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.707 35.926 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.323 36.393 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.868 35.885 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.737 33.463 -3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.140 33.995 -2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.561 34.997 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.203 34.325 -1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.182 32.937 0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.851 32.105 -1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.447 32.540 -0.868 1.00 0.00 H new ATOM 437 N ALA A 28 8.989 37.384 -7.565 1.00 0.00 N ATOM 438 CA ALA A 28 9.837 37.870 -8.668 1.00 0.00 C ATOM 439 C ALA A 28 9.579 39.375 -9.057 1.00 0.00 C ATOM 440 O ALA A 28 10.504 40.113 -9.445 1.00 0.00 O ATOM 441 CB ALA A 28 9.714 36.890 -9.888 1.00 0.00 C ATOM 0 H ALA A 28 8.333 36.655 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 28 10.870 37.869 -8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.340 37.247 -10.706 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.040 35.894 -9.589 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.676 36.848 -10.218 1.00 0.00 H new ATOM 447 N LYS A 29 8.294 39.827 -9.001 1.00 0.00 N ATOM 448 CA LYS A 29 7.892 41.225 -9.077 1.00 0.00 C ATOM 449 C LYS A 29 8.407 42.124 -7.907 1.00 0.00 C ATOM 450 O LYS A 29 8.917 43.197 -8.171 1.00 0.00 O ATOM 451 CB LYS A 29 6.329 41.389 -8.993 1.00 0.00 C ATOM 452 CG LYS A 29 5.505 40.926 -10.289 1.00 0.00 C ATOM 453 CD LYS A 29 5.943 41.952 -11.422 1.00 0.00 C ATOM 454 CE LYS A 29 5.217 41.599 -12.745 1.00 0.00 C ATOM 455 NZ LYS A 29 5.335 42.767 -13.733 1.00 0.00 N ATOM 0 H LYS A 29 7.501 39.194 -8.899 1.00 0.00 H new ATOM 0 HA LYS A 29 8.324 41.537 -10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.969 40.821 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.103 42.437 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.745 39.900 -10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.430 40.965 -10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.698 42.970 -11.120 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.023 41.913 -11.565 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.651 40.699 -13.179 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.167 41.383 -12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.846 42.524 -14.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.900 43.617 -13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.339 42.953 -13.932 1.00 0.00 H new ATOM 469 N ILE A 30 8.268 41.628 -6.696 1.00 0.00 N ATOM 470 CA ILE A 30 8.840 42.344 -5.479 1.00 0.00 C ATOM 471 C ILE A 30 10.390 42.294 -5.482 1.00 0.00 C ATOM 472 O ILE A 30 11.047 43.301 -5.118 1.00 0.00 O ATOM 473 CB ILE A 30 8.229 41.826 -4.168 1.00 0.00 C ATOM 474 CG1 ILE A 30 6.697 42.053 -4.118 1.00 0.00 C ATOM 475 CG2 ILE A 30 8.904 42.497 -2.953 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.240 43.543 -3.953 1.00 0.00 C ATOM 0 H ILE A 30 7.783 40.756 -6.487 1.00 0.00 H new ATOM 0 HA ILE A 30 8.557 43.394 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 30 8.409 40.752 -4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.259 41.656 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.288 41.472 -3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.458 42.118 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.970 42.272 -2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.761 43.576 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.151 43.589 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.640 43.945 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.610 44.132 -4.792 1.00 0.00 H new ATOM 488 N GLN A 31 10.967 41.155 -5.969 1.00 0.00 N ATOM 489 CA GLN A 31 12.382 41.025 -6.290 1.00 0.00 C ATOM 490 C GLN A 31 12.835 42.065 -7.289 1.00 0.00 C ATOM 491 O GLN A 31 13.881 42.672 -7.051 1.00 0.00 O ATOM 492 CB GLN A 31 12.685 39.569 -6.811 1.00 0.00 C ATOM 493 CG GLN A 31 14.024 39.361 -7.668 1.00 0.00 C ATOM 494 CD GLN A 31 15.367 39.752 -6.989 1.00 0.00 C ATOM 495 OE1 GLN A 31 16.400 39.844 -7.701 1.00 0.00 O ATOM 496 NE2 GLN A 31 15.555 39.848 -5.695 1.00 0.00 N ATOM 0 H GLN A 31 10.436 40.302 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 31 12.950 41.199 -5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.729 38.904 -5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.841 39.246 -7.420 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.083 38.311 -7.954 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.930 39.937 -8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.761 39.782 -5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.495 39.988 -5.325 1.00 0.00 H new ATOM 505 N ASP A 32 12.040 42.307 -8.338 1.00 0.00 N ATOM 506 CA ASP A 32 12.303 43.408 -9.260 1.00 0.00 C ATOM 507 C ASP A 32 12.108 44.809 -8.622 1.00 0.00 C ATOM 508 O ASP A 32 12.999 45.684 -8.710 1.00 0.00 O ATOM 509 CB ASP A 32 11.396 43.135 -10.469 1.00 0.00 C ATOM 510 CG ASP A 32 11.581 44.096 -11.648 1.00 0.00 C ATOM 511 OD1 ASP A 32 10.989 43.843 -12.691 1.00 0.00 O ATOM 512 OD2 ASP A 32 12.352 45.021 -11.543 1.00 0.00 O ATOM 0 H ASP A 32 11.213 41.755 -8.565 1.00 0.00 H new ATOM 0 HA ASP A 32 13.351 43.442 -9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.576 42.118 -10.817 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.357 43.181 -10.142 1.00 0.00 H new ATOM 517 N LYS A 33 11.003 45.015 -7.888 1.00 0.00 N ATOM 518 CA LYS A 33 10.747 46.332 -7.260 1.00 0.00 C ATOM 519 C LYS A 33 11.744 46.758 -6.135 1.00 0.00 C ATOM 520 O LYS A 33 12.268 47.900 -6.106 1.00 0.00 O ATOM 521 CB LYS A 33 9.288 46.466 -6.778 1.00 0.00 C ATOM 522 CG LYS A 33 8.194 46.498 -7.878 1.00 0.00 C ATOM 523 CD LYS A 33 8.345 47.657 -8.936 1.00 0.00 C ATOM 524 CE LYS A 33 8.278 49.062 -8.237 1.00 0.00 C ATOM 525 NZ LYS A 33 8.058 50.085 -9.332 1.00 0.00 N ATOM 0 H LYS A 33 10.286 44.310 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 33 10.927 47.038 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.073 45.634 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.206 47.380 -6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.201 45.543 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.220 46.590 -7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.293 47.553 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.555 47.579 -9.683 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.467 49.094 -7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.201 49.268 -7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.007 51.036 -8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.848 50.046 -10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.168 49.877 -9.828 1.00 0.00 H new ATOM 539 N GLU A 34 12.046 45.822 -5.217 1.00 0.00 N ATOM 540 CA GLU A 34 12.873 46.161 -4.047 1.00 0.00 C ATOM 541 C GLU A 34 14.169 45.349 -3.972 1.00 0.00 C ATOM 542 O GLU A 34 15.012 45.653 -3.126 1.00 0.00 O ATOM 543 CB GLU A 34 12.029 45.920 -2.733 1.00 0.00 C ATOM 544 CG GLU A 34 11.071 47.096 -2.529 1.00 0.00 C ATOM 545 CD GLU A 34 11.794 48.260 -1.751 1.00 0.00 C ATOM 546 OE1 GLU A 34 12.291 48.030 -0.643 1.00 0.00 O ATOM 547 OE2 GLU A 34 11.812 49.377 -2.271 1.00 0.00 O ATOM 0 H GLU A 34 11.739 44.850 -5.260 1.00 0.00 H new ATOM 0 HA GLU A 34 13.159 47.208 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.469 44.988 -2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.692 45.822 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.718 47.459 -3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.194 46.767 -1.972 1.00 0.00 H new ATOM 554 N GLY A 35 14.356 44.289 -4.786 1.00 0.00 N ATOM 555 CA GLY A 35 15.607 43.551 -4.768 1.00 0.00 C ATOM 556 C GLY A 35 15.768 42.466 -3.678 1.00 0.00 C ATOM 557 O GLY A 35 16.910 42.069 -3.403 1.00 0.00 O ATOM 0 H GLY A 35 13.662 43.941 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.733 43.075 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.421 44.267 -4.655 1.00 0.00 H new ATOM 561 N ILE A 36 14.678 41.961 -3.082 1.00 0.00 N ATOM 562 CA ILE A 36 14.734 41.006 -1.974 1.00 0.00 C ATOM 563 C ILE A 36 14.733 39.562 -2.607 1.00 0.00 C ATOM 564 O ILE A 36 13.876 39.317 -3.464 1.00 0.00 O ATOM 565 CB ILE A 36 13.461 41.276 -1.123 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.209 42.786 -0.878 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.591 40.573 0.266 1.00 0.00 C ATOM 568 CD1 ILE A 36 11.848 43.027 -0.200 1.00 0.00 C ATOM 0 H ILE A 36 13.728 42.208 -3.360 1.00 0.00 H new ATOM 0 HA ILE A 36 15.618 41.099 -1.344 1.00 0.00 H new ATOM 0 HB ILE A 36 12.620 40.878 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.005 43.192 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.244 43.321 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.696 40.766 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.705 39.499 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.463 40.963 0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.704 44.096 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.051 42.643 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.824 42.513 0.761 1.00 0.00 H new ATOM 580 N PRO A 37 15.626 38.630 -2.257 1.00 0.00 N ATOM 581 CA PRO A 37 15.714 37.238 -2.882 1.00 0.00 C ATOM 582 C PRO A 37 14.380 36.535 -2.831 1.00 0.00 C ATOM 583 O PRO A 37 13.740 36.726 -1.836 1.00 0.00 O ATOM 584 CB PRO A 37 16.808 36.530 -1.994 1.00 0.00 C ATOM 585 CG PRO A 37 17.779 37.708 -1.814 1.00 0.00 C ATOM 586 CD PRO A 37 16.874 38.926 -1.542 1.00 0.00 C ATOM 0 HA PRO A 37 15.975 37.242 -3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.409 36.166 -1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.269 35.678 -2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.465 37.532 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.388 37.859 -2.706 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.697 39.057 -0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.330 39.847 -1.905 1.00 0.00 H new ATOM 594 N PRO A 38 13.931 35.852 -3.873 1.00 0.00 N ATOM 595 CA PRO A 38 12.523 35.367 -3.858 1.00 0.00 C ATOM 596 C PRO A 38 12.435 33.998 -3.168 1.00 0.00 C ATOM 597 O PRO A 38 11.399 33.394 -3.279 1.00 0.00 O ATOM 598 CB PRO A 38 12.182 35.466 -5.394 1.00 0.00 C ATOM 599 CG PRO A 38 13.475 35.024 -6.031 1.00 0.00 C ATOM 600 CD PRO A 38 14.558 35.699 -5.190 1.00 0.00 C ATOM 0 HA PRO A 38 11.787 35.918 -3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.349 34.819 -5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.908 36.480 -5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.577 33.939 -6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.531 35.333 -7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.460 35.090 -5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.848 36.662 -5.609 1.00 0.00 H new ATOM 608 N ASP A 39 13.496 33.539 -2.396 1.00 0.00 N ATOM 609 CA ASP A 39 13.464 32.374 -1.487 1.00 0.00 C ATOM 610 C ASP A 39 13.451 32.821 -0.017 1.00 0.00 C ATOM 611 O ASP A 39 12.967 32.081 0.865 1.00 0.00 O ATOM 612 CB ASP A 39 14.680 31.393 -1.708 1.00 0.00 C ATOM 613 CG ASP A 39 16.044 32.014 -1.408 1.00 0.00 C ATOM 614 OD1 ASP A 39 16.207 33.234 -1.498 1.00 0.00 O ATOM 615 OD2 ASP A 39 16.931 31.179 -1.283 1.00 0.00 O ATOM 0 H ASP A 39 14.407 33.998 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 39 12.545 31.838 -1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.545 30.516 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.670 31.046 -2.741 1.00 0.00 H new ATOM 620 N GLN A 40 13.944 34.038 0.270 1.00 0.00 N ATOM 621 CA GLN A 40 13.903 34.596 1.602 1.00 0.00 C ATOM 622 C GLN A 40 12.504 35.119 1.900 1.00 0.00 C ATOM 623 O GLN A 40 12.031 35.010 3.013 1.00 0.00 O ATOM 624 CB GLN A 40 14.887 35.754 1.798 1.00 0.00 C ATOM 625 CG GLN A 40 16.308 35.164 1.723 1.00 0.00 C ATOM 626 CD GLN A 40 17.220 36.176 2.385 1.00 0.00 C ATOM 627 OE1 GLN A 40 18.030 36.860 1.763 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.192 36.240 3.724 1.00 0.00 N ATOM 0 H GLN A 40 14.377 34.648 -0.423 1.00 0.00 H new ATOM 0 HA GLN A 40 14.184 33.789 2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.745 36.513 1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.723 36.240 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.358 34.202 2.234 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.604 34.991 0.688 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.523 35.676 4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.840 36.853 4.219 1.00 0.00 H new ATOM 637 N GLN A 41 11.851 35.700 0.885 1.00 0.00 N ATOM 638 CA GLN A 41 10.513 36.259 0.998 1.00 0.00 C ATOM 639 C GLN A 41 9.412 35.407 1.661 1.00 0.00 C ATOM 640 O GLN A 41 9.164 34.237 1.314 1.00 0.00 O ATOM 641 CB GLN A 41 10.161 36.739 -0.476 1.00 0.00 C ATOM 642 CG GLN A 41 10.793 38.149 -0.846 1.00 0.00 C ATOM 643 CD GLN A 41 10.189 38.581 -2.196 1.00 0.00 C ATOM 644 OE1 GLN A 41 8.938 38.787 -2.336 1.00 0.00 O ATOM 645 NE2 GLN A 41 10.951 38.613 -3.225 1.00 0.00 N ATOM 0 H GLN A 41 12.251 35.792 -0.049 1.00 0.00 H new ATOM 0 HA GLN A 41 10.533 37.067 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.514 35.993 -1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.078 36.795 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.571 38.884 -0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.878 38.077 -0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.953 38.450 -3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.556 38.802 -4.146 1.00 0.00 H new ATOM 654 N ARG A 42 8.615 35.990 2.604 1.00 0.00 N ATOM 655 CA ARG A 42 7.462 35.261 3.125 1.00 0.00 C ATOM 656 C ARG A 42 6.282 36.197 3.061 1.00 0.00 C ATOM 657 O ARG A 42 6.261 37.242 3.671 1.00 0.00 O ATOM 658 CB ARG A 42 7.732 34.704 4.547 1.00 0.00 C ATOM 659 CG ARG A 42 8.830 33.649 4.629 1.00 0.00 C ATOM 660 CD ARG A 42 8.461 32.230 4.176 1.00 0.00 C ATOM 661 NE ARG A 42 9.554 31.300 4.586 1.00 0.00 N ATOM 662 CZ ARG A 42 9.453 30.477 5.629 1.00 0.00 C ATOM 663 NH1 ARG A 42 8.532 30.613 6.587 1.00 0.00 N ATOM 664 NH2 ARG A 42 10.311 29.534 5.742 1.00 0.00 N ATOM 0 H ARG A 42 8.755 36.922 2.993 1.00 0.00 H new ATOM 0 HA ARG A 42 7.252 34.377 2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.997 35.534 5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.808 34.275 4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.673 33.989 4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.175 33.597 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.516 31.924 4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.325 32.201 3.095 1.00 0.00 H new ATOM 0 HE ARG A 42 10.417 31.294 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.859 31.378 6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.502 29.952 7.363 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.047 29.428 5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.259 28.889 6.530 1.00 0.00 H new ATOM 678 N LEU A 43 5.320 35.853 2.205 1.00 0.00 N ATOM 679 CA LEU A 43 4.196 36.731 1.920 1.00 0.00 C ATOM 680 C LEU A 43 2.929 36.324 2.735 1.00 0.00 C ATOM 681 O LEU A 43 2.538 35.151 2.797 1.00 0.00 O ATOM 682 CB LEU A 43 3.912 36.734 0.407 1.00 0.00 C ATOM 683 CG LEU A 43 5.126 37.275 -0.405 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.694 37.417 -1.937 1.00 0.00 C ATOM 685 CD2 LEU A 43 5.578 38.722 0.069 1.00 0.00 C ATOM 0 H LEU A 43 5.301 34.968 1.698 1.00 0.00 H new ATOM 0 HA LEU A 43 4.458 37.742 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.677 35.722 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.035 37.348 0.202 1.00 0.00 H new ATOM 0 HG LEU A 43 5.948 36.574 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.535 37.795 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.395 36.442 -2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.857 38.111 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.427 39.052 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.751 39.421 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.866 38.687 1.120 1.00 0.00 H new ATOM 697 N ILE A 44 2.302 37.311 3.355 1.00 0.00 N ATOM 698 CA ILE A 44 1.193 37.044 4.277 1.00 0.00 C ATOM 699 C ILE A 44 -0.070 37.771 3.849 1.00 0.00 C ATOM 700 O ILE A 44 -0.048 38.951 3.519 1.00 0.00 O ATOM 701 CB ILE A 44 1.621 37.516 5.682 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.018 36.886 6.089 1.00 0.00 C ATOM 703 CG2 ILE A 44 0.478 37.133 6.681 1.00 0.00 C ATOM 704 CD1 ILE A 44 3.529 37.297 7.528 1.00 0.00 C ATOM 0 H ILE A 44 2.534 38.298 3.243 1.00 0.00 H new ATOM 0 HA ILE A 44 0.970 35.977 4.277 1.00 0.00 H new ATOM 0 HB ILE A 44 1.765 38.596 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.940 35.800 6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.765 37.184 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.751 37.454 7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.447 37.625 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.334 36.053 6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.490 36.821 7.722 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.644 38.380 7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.806 36.974 8.277 1.00 0.00 H new ATOM 716 N PHE A 45 -1.131 37.009 3.938 1.00 0.00 N ATOM 717 CA PHE A 45 -2.505 37.492 3.743 1.00 0.00 C ATOM 718 C PHE A 45 -3.389 37.044 4.902 1.00 0.00 C ATOM 719 O PHE A 45 -3.596 35.858 5.075 1.00 0.00 O ATOM 720 CB PHE A 45 -3.051 36.920 2.446 1.00 0.00 C ATOM 721 CG PHE A 45 -4.409 37.445 2.089 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.776 38.754 2.322 1.00 0.00 C ATOM 723 CD2 PHE A 45 -5.235 36.569 1.409 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.960 39.222 1.740 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.403 36.994 0.830 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.801 38.309 1.046 1.00 0.00 C ATOM 0 H PHE A 45 -1.079 36.013 4.152 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.501 38.581 3.701 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.357 37.148 1.637 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.099 35.834 2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.167 39.400 2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.954 35.529 1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.232 40.264 1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.997 36.327 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.762 38.641 0.682 1.00 0.00 H new ATOM 736 N ALA A 46 -3.818 37.946 5.769 1.00 0.00 N ATOM 737 CA ALA A 46 -4.802 37.604 6.820 1.00 0.00 C ATOM 738 C ALA A 46 -4.347 36.481 7.813 1.00 0.00 C ATOM 739 O ALA A 46 -5.166 35.656 8.258 1.00 0.00 O ATOM 740 CB ALA A 46 -6.216 37.366 6.175 1.00 0.00 C ATOM 0 H ALA A 46 -3.511 38.919 5.778 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.878 38.468 7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.934 37.115 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.539 38.272 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.156 36.546 5.459 1.00 0.00 H new ATOM 746 N GLY A 47 -3.015 36.441 8.156 1.00 0.00 N ATOM 747 CA GLY A 47 -2.353 35.351 8.895 1.00 0.00 C ATOM 748 C GLY A 47 -1.985 34.030 8.190 1.00 0.00 C ATOM 749 O GLY A 47 -1.318 33.232 8.854 1.00 0.00 O ATOM 0 H GLY A 47 -2.372 37.194 7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.432 35.759 9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.998 35.096 9.736 1.00 0.00 H new ATOM 753 N LYS A 48 -2.440 33.820 6.923 1.00 0.00 N ATOM 754 CA LYS A 48 -2.039 32.677 6.034 1.00 0.00 C ATOM 755 C LYS A 48 -0.665 32.873 5.393 1.00 0.00 C ATOM 756 O LYS A 48 -0.430 33.827 4.699 1.00 0.00 O ATOM 757 CB LYS A 48 -2.920 32.477 4.784 1.00 0.00 C ATOM 758 CG LYS A 48 -4.387 31.974 4.986 1.00 0.00 C ATOM 759 CD LYS A 48 -5.340 33.023 5.594 1.00 0.00 C ATOM 760 CE LYS A 48 -6.786 32.452 5.489 1.00 0.00 C ATOM 761 NZ LYS A 48 -7.751 33.573 5.708 1.00 0.00 N ATOM 0 H LYS A 48 -3.108 34.448 6.477 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.106 31.844 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.964 33.428 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.413 31.769 4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.785 31.654 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.372 31.096 5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.080 33.221 6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.261 33.970 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.945 32.000 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.940 31.668 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.724 33.212 5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.598 33.984 6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.603 34.305 4.984 1.00 0.00 H new ATOM 775 N GLN A 49 0.225 31.880 5.602 1.00 0.00 N ATOM 776 CA GLN A 49 1.469 31.829 4.847 1.00 0.00 C ATOM 777 C GLN A 49 1.234 31.447 3.362 1.00 0.00 C ATOM 778 O GLN A 49 0.834 30.287 3.075 1.00 0.00 O ATOM 779 CB GLN A 49 2.398 30.715 5.484 1.00 0.00 C ATOM 780 CG GLN A 49 2.944 30.959 6.971 1.00 0.00 C ATOM 781 CD GLN A 49 3.491 32.398 7.081 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.538 32.729 6.471 1.00 0.00 O ATOM 783 NE2 GLN A 49 3.090 33.280 7.960 1.00 0.00 N ATOM 0 H GLN A 49 0.099 31.124 6.275 1.00 0.00 H new ATOM 0 HA GLN A 49 1.923 32.819 4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.846 29.775 5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.259 30.582 4.829 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.144 30.805 7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.729 30.240 7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.248 33.106 8.509 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.619 34.141 8.096 1.00 0.00 H new ATOM 792 N LEU A 50 1.497 32.402 2.401 1.00 0.00 N ATOM 793 CA LEU A 50 1.142 32.146 0.983 1.00 0.00 C ATOM 794 C LEU A 50 2.175 31.249 0.267 1.00 0.00 C ATOM 795 O LEU A 50 3.304 31.629 0.022 1.00 0.00 O ATOM 796 CB LEU A 50 0.983 33.511 0.206 1.00 0.00 C ATOM 797 CG LEU A 50 -0.066 34.467 0.801 1.00 0.00 C ATOM 798 CD1 LEU A 50 0.215 35.883 0.199 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.475 33.979 0.546 1.00 0.00 C ATOM 0 H LEU A 50 1.932 33.307 2.583 1.00 0.00 H new ATOM 0 HA LEU A 50 0.193 31.610 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.948 34.018 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.715 33.296 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 50 0.015 34.511 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.508 36.597 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.222 36.200 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.127 35.841 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.187 34.680 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.646 33.907 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.608 32.998 1.001 1.00 0.00 H new ATOM 811 N GLU A 51 1.752 30.050 -0.173 1.00 0.00 N ATOM 812 CA GLU A 51 2.622 29.062 -0.879 1.00 0.00 C ATOM 813 C GLU A 51 3.003 29.452 -2.317 1.00 0.00 C ATOM 814 O GLU A 51 2.135 29.938 -3.001 1.00 0.00 O ATOM 815 CB GLU A 51 1.830 27.726 -0.866 1.00 0.00 C ATOM 816 CG GLU A 51 1.863 27.115 0.547 1.00 0.00 C ATOM 817 CD GLU A 51 1.207 25.719 0.541 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.071 25.155 1.619 1.00 0.00 O ATOM 819 OE2 GLU A 51 0.812 25.279 -0.524 1.00 0.00 O ATOM 0 H GLU A 51 0.792 29.727 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 51 3.580 29.000 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.799 27.901 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.262 27.029 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.894 27.039 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.339 27.768 1.245 1.00 0.00 H new ATOM 826 N ASP A 52 4.311 29.312 -2.763 1.00 0.00 N ATOM 827 CA ASP A 52 4.765 29.902 -4.014 1.00 0.00 C ATOM 828 C ASP A 52 4.032 29.526 -5.280 1.00 0.00 C ATOM 829 O ASP A 52 3.676 30.433 -6.062 1.00 0.00 O ATOM 830 CB ASP A 52 6.306 29.573 -4.120 1.00 0.00 C ATOM 831 CG ASP A 52 7.129 29.878 -2.830 1.00 0.00 C ATOM 832 OD1 ASP A 52 6.663 30.636 -1.980 1.00 0.00 O ATOM 833 OD2 ASP A 52 8.248 29.350 -2.763 1.00 0.00 O ATOM 0 H ASP A 52 5.031 28.797 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 52 4.544 30.968 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.422 28.518 -4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.729 30.143 -4.947 1.00 0.00 H new ATOM 838 N GLY A 53 3.709 28.228 -5.532 1.00 0.00 N ATOM 839 CA GLY A 53 3.061 27.806 -6.755 1.00 0.00 C ATOM 840 C GLY A 53 1.548 28.013 -6.714 1.00 0.00 C ATOM 841 O GLY A 53 0.838 27.488 -7.537 1.00 0.00 O ATOM 0 H GLY A 53 3.899 27.466 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.478 28.362 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.276 26.752 -6.932 1.00 0.00 H new ATOM 845 N ARG A 54 1.086 28.753 -5.740 1.00 0.00 N ATOM 846 CA ARG A 54 -0.335 29.087 -5.664 1.00 0.00 C ATOM 847 C ARG A 54 -0.608 30.371 -6.429 1.00 0.00 C ATOM 848 O ARG A 54 0.278 31.223 -6.459 1.00 0.00 O ATOM 849 CB ARG A 54 -0.691 29.327 -4.235 1.00 0.00 C ATOM 850 CG ARG A 54 -0.502 28.055 -3.374 1.00 0.00 C ATOM 851 CD ARG A 54 -1.410 26.877 -3.802 1.00 0.00 C ATOM 852 NE ARG A 54 -1.140 25.844 -2.771 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.090 25.042 -2.339 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.173 24.617 -3.048 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.759 24.429 -1.235 1.00 0.00 N ATOM 0 H ARG A 54 1.658 29.139 -4.988 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.918 28.269 -6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.072 30.131 -3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.727 29.660 -4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.540 27.739 -3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.705 28.299 -2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.461 27.165 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.162 26.521 -4.802 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.198 25.754 -2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.304 24.923 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.853 23.992 -2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.848 24.601 -0.810 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.411 23.778 -0.798 1.00 0.00 H new ATOM 869 N THR A 55 -1.806 30.466 -7.029 1.00 0.00 N ATOM 870 CA THR A 55 -2.274 31.693 -7.756 1.00 0.00 C ATOM 871 C THR A 55 -2.985 32.669 -6.807 1.00 0.00 C ATOM 872 O THR A 55 -3.224 32.318 -5.696 1.00 0.00 O ATOM 873 CB THR A 55 -3.113 31.408 -9.005 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.402 30.833 -8.732 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.328 30.382 -9.852 1.00 0.00 C ATOM 0 H THR A 55 -2.487 29.706 -7.033 1.00 0.00 H new ATOM 0 HA THR A 55 -1.367 32.170 -8.128 1.00 0.00 H new ATOM 0 HB THR A 55 -3.286 32.362 -9.502 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.288 29.988 -8.249 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.891 30.149 -10.756 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.360 30.801 -10.126 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.178 29.471 -9.273 1.00 0.00 H new ATOM 883 N LEU A 56 -3.319 33.901 -7.244 1.00 0.00 N ATOM 884 CA LEU A 56 -4.053 34.833 -6.399 1.00 0.00 C ATOM 885 C LEU A 56 -5.545 34.475 -6.416 1.00 0.00 C ATOM 886 O LEU A 56 -6.204 34.890 -5.465 1.00 0.00 O ATOM 887 CB LEU A 56 -3.769 36.289 -6.888 1.00 0.00 C ATOM 888 CG LEU A 56 -2.235 36.627 -7.047 1.00 0.00 C ATOM 889 CD1 LEU A 56 -1.992 38.090 -7.617 1.00 0.00 C ATOM 890 CD2 LEU A 56 -1.501 36.479 -5.722 1.00 0.00 C ATOM 0 H LEU A 56 -3.089 34.260 -8.171 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.724 34.765 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.265 36.442 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.214 36.991 -6.183 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.840 35.911 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.921 38.272 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.459 38.181 -8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.429 38.822 -6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.447 36.718 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.933 37.160 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.596 35.453 -5.366 1.00 0.00 H new ATOM 902 N SER A 57 -6.038 33.729 -7.462 1.00 0.00 N ATOM 903 CA SER A 57 -7.339 33.062 -7.438 1.00 0.00 C ATOM 904 C SER A 57 -7.489 32.104 -6.231 1.00 0.00 C ATOM 905 O SER A 57 -8.490 32.222 -5.537 1.00 0.00 O ATOM 906 CB SER A 57 -7.634 32.313 -8.800 1.00 0.00 C ATOM 907 OG SER A 57 -8.952 31.780 -8.784 1.00 0.00 O ATOM 0 H SER A 57 -5.526 33.589 -8.333 1.00 0.00 H new ATOM 0 HA SER A 57 -8.087 33.846 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.522 33.003 -9.636 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.910 31.512 -8.949 1.00 0.00 H new ATOM 0 HG SER A 57 -9.129 31.319 -9.631 1.00 0.00 H new ATOM 913 N ASP A 58 -6.486 31.242 -5.983 1.00 0.00 N ATOM 914 CA ASP A 58 -6.447 30.177 -4.909 1.00 0.00 C ATOM 915 C ASP A 58 -6.649 30.689 -3.502 1.00 0.00 C ATOM 916 O ASP A 58 -7.411 30.065 -2.764 1.00 0.00 O ATOM 917 CB ASP A 58 -5.121 29.352 -5.004 1.00 0.00 C ATOM 918 CG ASP A 58 -5.071 28.692 -6.422 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.088 28.153 -6.863 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.002 28.723 -7.046 1.00 0.00 O ATOM 0 H ASP A 58 -5.631 31.252 -6.540 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.304 29.535 -5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.257 29.999 -4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.089 28.589 -4.226 1.00 0.00 H new ATOM 925 N TYR A 59 -6.035 31.834 -3.151 1.00 0.00 N ATOM 926 CA TYR A 59 -6.300 32.622 -1.966 1.00 0.00 C ATOM 927 C TYR A 59 -7.514 33.546 -1.972 1.00 0.00 C ATOM 928 O TYR A 59 -7.865 34.006 -0.894 1.00 0.00 O ATOM 929 CB TYR A 59 -4.995 33.429 -1.646 1.00 0.00 C ATOM 930 CG TYR A 59 -3.970 32.435 -1.125 1.00 0.00 C ATOM 931 CD1 TYR A 59 -2.826 32.127 -1.890 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.180 31.682 0.066 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.923 31.162 -1.488 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.285 30.757 0.478 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.126 30.416 -0.288 1.00 0.00 C ATOM 936 OH TYR A 59 -1.293 29.460 0.199 1.00 0.00 O ATOM 0 H TYR A 59 -5.302 32.244 -3.729 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.575 31.903 -1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.624 33.932 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.193 34.203 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.651 32.659 -2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.072 31.854 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.049 30.969 -2.092 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.451 30.257 1.421 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.659 29.102 1.035 1.00 0.00 H new ATOM 946 N ASN A 60 -8.106 33.765 -3.125 1.00 0.00 N ATOM 947 CA ASN A 60 -9.163 34.737 -3.228 1.00 0.00 C ATOM 948 C ASN A 60 -8.779 36.129 -2.728 1.00 0.00 C ATOM 949 O ASN A 60 -9.497 36.635 -1.870 1.00 0.00 O ATOM 950 CB ASN A 60 -10.434 34.035 -2.608 1.00 0.00 C ATOM 951 CG ASN A 60 -11.630 34.988 -2.822 1.00 0.00 C ATOM 952 OD1 ASN A 60 -12.036 35.674 -1.844 1.00 0.00 O ATOM 953 ND2 ASN A 60 -12.254 35.102 -3.962 1.00 0.00 N ATOM 0 H ASN A 60 -7.874 33.286 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.398 35.009 -4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.616 33.074 -3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.285 33.837 -1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.050 35.734 -4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.946 34.559 -4.768 1.00 0.00 H new ATOM 960 N ILE A 61 -7.701 36.775 -3.335 1.00 0.00 N ATOM 961 CA ILE A 61 -7.242 38.089 -2.950 1.00 0.00 C ATOM 962 C ILE A 61 -7.890 39.098 -3.896 1.00 0.00 C ATOM 963 O ILE A 61 -7.637 39.013 -5.079 1.00 0.00 O ATOM 964 CB ILE A 61 -5.679 38.054 -3.152 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.036 36.961 -2.289 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.124 39.504 -2.805 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.596 36.517 -2.672 1.00 0.00 C ATOM 0 H ILE A 61 -7.161 36.361 -4.095 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.494 38.363 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.426 37.803 -4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.020 37.310 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.681 36.083 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.042 39.520 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.579 40.237 -3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.370 39.750 -1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.260 35.741 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.594 36.126 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.923 37.372 -2.611 1.00 0.00 H new ATOM 979 N GLN A 62 -8.708 40.053 -3.332 1.00 0.00 N ATOM 980 CA GLN A 62 -9.396 41.071 -4.112 1.00 0.00 C ATOM 981 C GLN A 62 -8.424 42.150 -4.569 1.00 0.00 C ATOM 982 O GLN A 62 -7.369 42.311 -3.969 1.00 0.00 O ATOM 983 CB GLN A 62 -10.597 41.782 -3.362 1.00 0.00 C ATOM 984 CG GLN A 62 -11.662 40.796 -2.858 1.00 0.00 C ATOM 985 CD GLN A 62 -12.297 39.938 -3.958 1.00 0.00 C ATOM 986 OE1 GLN A 62 -12.131 38.708 -3.901 1.00 0.00 O ATOM 987 NE2 GLN A 62 -12.974 40.520 -4.932 1.00 0.00 N ATOM 0 H GLN A 62 -8.888 40.113 -2.330 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.817 40.525 -4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.205 42.348 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.065 42.499 -4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.209 40.138 -2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.448 41.356 -2.351 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.086 41.534 -4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.384 39.956 -5.676 1.00 0.00 H new ATOM 996 N LYS A 63 -8.846 42.909 -5.615 1.00 0.00 N ATOM 997 CA LYS A 63 -8.158 44.152 -5.994 1.00 0.00 C ATOM 998 C LYS A 63 -8.008 45.162 -4.820 1.00 0.00 C ATOM 999 O LYS A 63 -8.844 45.139 -3.932 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.959 44.743 -7.226 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.489 45.181 -6.956 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.706 46.725 -6.670 1.00 0.00 C ATOM 1003 CE LYS A 63 -10.161 47.552 -7.810 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.576 49.019 -7.787 1.00 0.00 N ATOM 0 H LYS A 63 -9.650 42.678 -6.198 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.124 43.944 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.417 45.613 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.954 43.999 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.089 44.900 -7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.869 44.613 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.768 46.931 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.209 47.003 -5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.073 47.496 -7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.489 47.110 -8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.145 49.514 -8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.612 49.088 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.255 49.457 -6.900 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.948 46.019 -4.732 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.773 46.979 -3.605 1.00 0.00 C ATOM 1020 C GLU A 64 -6.453 46.372 -2.238 1.00 0.00 C ATOM 1021 O GLU A 64 -6.304 47.151 -1.286 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.828 48.113 -3.480 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.841 48.919 -4.851 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.871 50.050 -4.802 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.262 50.394 -5.899 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.297 50.554 -3.775 1.00 0.00 O ATOM 0 H GLU A 64 -6.204 46.062 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.858 47.464 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.814 47.696 -3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.581 48.775 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.851 49.330 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.074 48.243 -5.674 1.00 0.00 H new ATOM 1033 N SER A 65 -6.286 45.035 -2.179 1.00 0.00 N ATOM 1034 CA SER A 65 -5.641 44.307 -1.062 1.00 0.00 C ATOM 1035 C SER A 65 -4.182 44.643 -0.853 1.00 0.00 C ATOM 1036 O SER A 65 -3.485 45.102 -1.755 1.00 0.00 O ATOM 1037 CB SER A 65 -5.827 42.771 -1.179 1.00 0.00 C ATOM 1038 OG SER A 65 -7.201 42.381 -1.308 1.00 0.00 O ATOM 0 H SER A 65 -6.603 44.415 -2.924 1.00 0.00 H new ATOM 0 HA SER A 65 -6.167 44.661 -0.175 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.269 42.408 -2.042 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.400 42.291 -0.299 1.00 0.00 H new ATOM 0 HG SER A 65 -7.371 42.079 -2.225 1.00 0.00 H new ATOM 1044 N THR A 66 -3.776 44.402 0.437 1.00 0.00 N ATOM 1045 CA THR A 66 -2.450 44.685 0.933 1.00 0.00 C ATOM 1046 C THR A 66 -1.876 43.398 1.501 1.00 0.00 C ATOM 1047 O THR A 66 -2.353 42.864 2.492 1.00 0.00 O ATOM 1048 CB THR A 66 -2.392 45.729 2.089 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.014 46.962 1.759 1.00 0.00 O ATOM 1050 CG2 THR A 66 -0.853 45.960 2.476 1.00 0.00 C ATOM 0 H THR A 66 -4.393 44.001 1.143 1.00 0.00 H new ATOM 0 HA THR A 66 -1.898 45.094 0.087 1.00 0.00 H new ATOM 0 HB THR A 66 -2.952 45.333 2.936 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.949 47.576 2.520 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.786 46.688 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.414 45.017 2.800 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.311 46.333 1.607 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.803 42.853 0.846 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.075 41.756 1.379 1.00 0.00 C ATOM 1060 C LEU A 67 1.003 42.301 2.346 1.00 0.00 C ATOM 1061 O LEU A 67 1.403 43.433 2.250 1.00 0.00 O ATOM 1062 CB LEU A 67 0.602 40.872 0.331 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.443 40.321 -0.685 1.00 0.00 C ATOM 1064 CD1 LEU A 67 0.404 39.452 -1.653 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -1.586 39.417 -0.083 1.00 0.00 C ATOM 0 H LEU A 67 -0.457 43.189 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.803 41.122 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.363 41.445 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.111 40.043 0.822 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.974 41.163 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.245 39.015 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.159 40.074 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.894 38.655 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.252 39.092 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.144 38.544 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.153 39.988 0.652 1.00 0.00 H new ATOM 1077 N HIS A 68 1.380 41.540 3.366 1.00 0.00 N ATOM 1078 CA HIS A 68 2.535 41.935 4.250 1.00 0.00 C ATOM 1079 C HIS A 68 3.724 41.072 3.872 1.00 0.00 C ATOM 1080 O HIS A 68 3.555 39.942 3.422 1.00 0.00 O ATOM 1081 CB HIS A 68 2.234 41.902 5.789 1.00 0.00 C ATOM 1082 CG HIS A 68 1.602 43.209 6.249 1.00 0.00 C ATOM 1083 ND1 HIS A 68 0.834 44.031 5.458 1.00 0.00 N ATOM 1084 CD2 HIS A 68 1.751 43.878 7.440 1.00 0.00 C ATOM 1085 CE1 HIS A 68 0.558 45.145 6.198 1.00 0.00 C ATOM 1086 NE2 HIS A 68 1.153 45.112 7.400 1.00 0.00 N ATOM 0 H HIS A 68 0.932 40.660 3.620 1.00 0.00 H new ATOM 0 HA HIS A 68 2.751 42.988 4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.565 41.071 6.015 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.158 41.727 6.340 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.273 43.482 8.299 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.066 45.957 5.856 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.159 45.837 8.118 1.00 0.00 H new ATOM 1094 N LEU A 69 4.914 41.656 4.042 1.00 0.00 N ATOM 1095 CA LEU A 69 6.168 40.937 3.756 1.00 0.00 C ATOM 1096 C LEU A 69 7.093 40.984 4.939 1.00 0.00 C ATOM 1097 O LEU A 69 7.333 42.017 5.554 1.00 0.00 O ATOM 1098 CB LEU A 69 6.755 41.509 2.462 1.00 0.00 C ATOM 1099 CG LEU A 69 8.236 41.028 2.207 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.452 39.574 1.841 1.00 0.00 C ATOM 1101 CD2 LEU A 69 8.778 41.878 0.983 1.00 0.00 C ATOM 0 H LEU A 69 5.040 42.613 4.372 1.00 0.00 H new ATOM 0 HA LEU A 69 5.992 39.874 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.130 41.211 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.732 42.598 2.507 1.00 0.00 H new ATOM 0 HG LEU A 69 8.745 41.161 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.516 39.390 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.079 38.938 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.916 39.347 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.804 41.585 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.153 41.697 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.750 42.938 1.235 1.00 0.00 H new ATOM 1113 N VAL A 70 7.569 39.755 5.327 1.00 0.00 N ATOM 1114 CA VAL A 70 8.568 39.512 6.342 1.00 0.00 C ATOM 1115 C VAL A 70 9.506 38.464 5.741 1.00 0.00 C ATOM 1116 O VAL A 70 9.143 37.760 4.807 1.00 0.00 O ATOM 1117 CB VAL A 70 8.028 39.005 7.713 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.089 40.117 8.319 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.357 37.577 7.558 1.00 0.00 C ATOM 0 H VAL A 70 7.231 38.891 4.902 1.00 0.00 H new ATOM 0 HA VAL A 70 9.046 40.461 6.585 1.00 0.00 H new ATOM 0 HB VAL A 70 8.837 38.849 8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.700 39.781 9.280 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.657 41.036 8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.259 40.304 7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.987 37.242 8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.527 37.639 6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.095 36.867 7.186 1.00 0.00 H new