USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 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 28 ASN : amide:sc= -1.29 K(o=-2.2,f=-2.9) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 179:sc= -0.918 (180deg=-1) USER MOD Single : A 1 MET CE :methyl -118:sc= -0.0192 (180deg=-0.342) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.812 (180deg=-0.939) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.193 K(o=-0.19,f=-2!) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 11 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-0.77) USER MOD Single : A 18 ASN : amide:sc= -0.799 K(o=-0.8,f=-0.046) USER MOD Single : A 19 SER OG : rot -138:sc= -0.574 USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= 0.907 (180deg=-0.609!) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.204) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.2!) USER MOD Single : A 45 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.017) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= -0.915 (180deg=-1.72) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.916 -8.015 15.948 1.00 21.30 N ATOM 2 CA MET A 1 23.397 -9.386 15.617 1.00 21.02 C ATOM 3 C MET A 1 22.993 -10.357 16.728 1.00 20.37 C ATOM 4 O MET A 1 22.805 -11.535 16.497 1.00 20.39 O ATOM 5 CB MET A 1 24.920 -9.370 15.478 1.00 21.44 C ATOM 6 CG MET A 1 25.554 -8.807 16.755 1.00 21.88 C ATOM 7 SD MET A 1 27.362 -8.844 16.605 1.00 22.37 S ATOM 8 CE MET A 1 27.556 -7.434 15.484 1.00 22.77 C ATOM 0 H1 MET A 1 23.278 -7.341 15.244 1.00 21.30 H new ATOM 0 H2 MET A 1 21.876 -8.000 15.938 1.00 21.30 H new ATOM 0 H3 MET A 1 23.257 -7.746 16.893 1.00 21.30 H new ATOM 0 HA MET A 1 22.949 -9.710 14.678 1.00 21.02 H new ATOM 0 HB2 MET A 1 25.288 -10.379 15.293 1.00 21.44 H new ATOM 0 HB3 MET A 1 25.209 -8.763 14.620 1.00 21.44 H new ATOM 0 HG2 MET A 1 25.214 -7.785 16.922 1.00 21.88 H new ATOM 0 HG3 MET A 1 25.239 -9.393 17.618 1.00 21.88 H new ATOM 0 HE1 MET A 1 28.002 -7.772 14.549 1.00 22.77 H new ATOM 0 HE2 MET A 1 26.580 -6.993 15.282 1.00 22.77 H new ATOM 0 HE3 MET A 1 28.202 -6.688 15.946 1.00 22.77 H new ATOM 20 N LYS A 2 22.858 -9.874 17.932 1.00 19.90 N ATOM 21 CA LYS A 2 22.468 -10.774 19.050 1.00 19.38 C ATOM 22 C LYS A 2 21.107 -11.401 18.741 1.00 18.83 C ATOM 23 O LYS A 2 20.885 -12.573 18.972 1.00 18.89 O ATOM 24 CB LYS A 2 22.373 -9.956 20.341 1.00 19.49 C ATOM 25 CG LYS A 2 22.113 -10.885 21.529 1.00 19.58 C ATOM 26 CD LYS A 2 21.836 -10.049 22.783 1.00 19.81 C ATOM 27 CE LYS A 2 23.050 -9.176 23.114 1.00 19.99 C ATOM 28 NZ LYS A 2 22.997 -8.791 24.552 1.00 20.19 N ATOM 0 H LYS A 2 23.001 -8.897 18.188 1.00 19.90 H new ATOM 0 HA LYS A 2 23.212 -11.561 19.169 1.00 19.38 H new ATOM 0 HB2 LYS A 2 23.297 -9.400 20.498 1.00 19.49 H new ATOM 0 HB3 LYS A 2 21.570 -9.223 20.259 1.00 19.49 H new ATOM 0 HG2 LYS A 2 21.263 -11.534 21.317 1.00 19.58 H new ATOM 0 HG3 LYS A 2 22.975 -11.532 21.694 1.00 19.58 H new ATOM 0 HD2 LYS A 2 20.959 -9.421 22.624 1.00 19.81 H new ATOM 0 HD3 LYS A 2 21.610 -10.705 23.624 1.00 19.81 H new ATOM 0 HE2 LYS A 2 23.972 -9.719 22.904 1.00 19.99 H new ATOM 0 HE3 LYS A 2 23.055 -8.285 22.486 1.00 19.99 H new ATOM 0 HZ1 LYS A 2 23.819 -8.198 24.783 1.00 20.19 H new ATOM 0 HZ2 LYS A 2 22.123 -8.259 24.737 1.00 20.19 H new ATOM 0 HZ3 LYS A 2 23.012 -9.648 25.142 1.00 20.19 H new ATOM 42 N ALA A 3 20.193 -10.629 18.214 1.00 18.43 N ATOM 43 CA ALA A 3 18.844 -11.178 17.886 1.00 18.03 C ATOM 44 C ALA A 3 18.259 -10.405 16.701 1.00 17.59 C ATOM 45 O ALA A 3 17.074 -10.460 16.435 1.00 17.73 O ATOM 46 CB ALA A 3 17.926 -11.022 19.100 1.00 18.23 C ATOM 0 H ALA A 3 20.323 -9.641 17.996 1.00 18.43 H new ATOM 0 HA ALA A 3 18.929 -12.233 17.627 1.00 18.03 H new ATOM 0 HB1 ALA A 3 16.940 -11.422 18.864 1.00 18.23 H new ATOM 0 HB2 ALA A 3 18.346 -11.567 19.946 1.00 18.23 H new ATOM 0 HB3 ALA A 3 17.838 -9.966 19.356 1.00 18.23 H new ATOM 52 N ILE A 4 19.086 -9.680 15.991 1.00 17.22 N ATOM 53 CA ILE A 4 18.603 -8.882 14.819 1.00 16.95 C ATOM 54 C ILE A 4 19.059 -9.555 13.517 1.00 16.44 C ATOM 55 O ILE A 4 20.161 -10.055 13.422 1.00 16.48 O ATOM 56 CB ILE A 4 19.199 -7.475 14.896 1.00 17.23 C ATOM 57 CG1 ILE A 4 18.939 -6.876 16.288 1.00 17.55 C ATOM 58 CG2 ILE A 4 18.566 -6.590 13.820 1.00 17.35 C ATOM 59 CD1 ILE A 4 17.438 -6.895 16.614 1.00 17.72 C ATOM 0 H ILE A 4 20.087 -9.605 16.174 1.00 17.22 H new ATOM 0 HA ILE A 4 17.515 -8.826 14.836 1.00 16.95 H new ATOM 0 HB ILE A 4 20.275 -7.528 14.728 1.00 17.23 H new ATOM 0 HG12 ILE A 4 19.487 -7.442 17.041 1.00 17.55 H new ATOM 0 HG13 ILE A 4 19.311 -5.852 16.325 1.00 17.55 H new ATOM 0 HG21 ILE A 4 18.992 -5.588 13.876 1.00 17.35 H new ATOM 0 HG22 ILE A 4 18.766 -7.014 12.836 1.00 17.35 H new ATOM 0 HG23 ILE A 4 17.489 -6.536 13.980 1.00 17.35 H new ATOM 0 HD11 ILE A 4 17.275 -6.467 17.603 1.00 17.72 H new ATOM 0 HD12 ILE A 4 16.897 -6.309 15.871 1.00 17.72 H new ATOM 0 HD13 ILE A 4 17.075 -7.923 16.599 1.00 17.72 H new ATOM 71 N PHE A 5 18.214 -9.579 12.516 1.00 16.11 N ATOM 72 CA PHE A 5 18.599 -10.229 11.227 1.00 15.78 C ATOM 73 C PHE A 5 19.995 -9.755 10.810 1.00 15.39 C ATOM 74 O PHE A 5 20.444 -8.697 11.203 1.00 15.53 O ATOM 75 CB PHE A 5 17.582 -9.858 10.142 1.00 15.91 C ATOM 76 CG PHE A 5 16.219 -10.375 10.538 1.00 16.27 C ATOM 77 CD1 PHE A 5 15.825 -11.668 10.171 1.00 16.55 C ATOM 78 CD2 PHE A 5 15.351 -9.561 11.275 1.00 16.49 C ATOM 79 CE1 PHE A 5 14.561 -12.146 10.544 1.00 17.03 C ATOM 80 CE2 PHE A 5 14.090 -10.039 11.646 1.00 16.98 C ATOM 81 CZ PHE A 5 13.694 -11.331 11.281 1.00 17.24 C ATOM 0 H PHE A 5 17.277 -9.177 12.536 1.00 16.11 H new ATOM 0 HA PHE A 5 18.610 -11.311 11.356 1.00 15.78 H new ATOM 0 HB2 PHE A 5 17.550 -8.776 10.012 1.00 15.91 H new ATOM 0 HB3 PHE A 5 17.882 -10.285 9.185 1.00 15.91 H new ATOM 0 HD1 PHE A 5 16.494 -12.296 9.601 1.00 16.55 H new ATOM 0 HD2 PHE A 5 15.655 -8.564 11.557 1.00 16.49 H new ATOM 0 HE1 PHE A 5 14.256 -13.143 10.263 1.00 17.03 H new ATOM 0 HE2 PHE A 5 13.421 -9.410 12.215 1.00 16.98 H new ATOM 0 HZ PHE A 5 12.720 -11.699 11.568 1.00 17.24 H new ATOM 91 N VAL A 6 20.695 -10.538 10.032 1.00 15.04 N ATOM 92 CA VAL A 6 22.068 -10.134 9.611 1.00 14.79 C ATOM 93 C VAL A 6 22.000 -8.811 8.841 1.00 14.55 C ATOM 94 O VAL A 6 22.837 -7.945 9.006 1.00 14.58 O ATOM 95 CB VAL A 6 22.675 -11.228 8.725 1.00 14.86 C ATOM 96 CG1 VAL A 6 24.001 -10.740 8.132 1.00 15.09 C ATOM 97 CG2 VAL A 6 22.928 -12.479 9.571 1.00 15.03 C ATOM 0 H VAL A 6 20.376 -11.437 9.671 1.00 15.04 H new ATOM 0 HA VAL A 6 22.696 -10.000 10.492 1.00 14.79 H new ATOM 0 HB VAL A 6 21.984 -11.462 7.915 1.00 14.86 H new ATOM 0 HG11 VAL A 6 24.428 -11.521 7.503 1.00 15.09 H new ATOM 0 HG12 VAL A 6 23.825 -9.847 7.532 1.00 15.09 H new ATOM 0 HG13 VAL A 6 24.695 -10.504 8.938 1.00 15.09 H new ATOM 0 HG21 VAL A 6 23.360 -13.260 8.945 1.00 15.03 H new ATOM 0 HG22 VAL A 6 23.619 -12.238 10.379 1.00 15.03 H new ATOM 0 HG23 VAL A 6 21.986 -12.830 9.992 1.00 15.03 H new ATOM 107 N LEU A 7 21.010 -8.644 8.007 1.00 14.47 N ATOM 108 CA LEU A 7 20.893 -7.373 7.236 1.00 14.40 C ATOM 109 C LEU A 7 20.354 -6.275 8.160 1.00 13.90 C ATOM 110 O LEU A 7 19.370 -6.456 8.847 1.00 13.91 O ATOM 111 CB LEU A 7 19.931 -7.579 6.058 1.00 14.97 C ATOM 112 CG LEU A 7 20.655 -8.294 4.908 1.00 15.35 C ATOM 113 CD1 LEU A 7 20.964 -9.741 5.308 1.00 15.68 C ATOM 114 CD2 LEU A 7 19.761 -8.291 3.666 1.00 15.83 C ATOM 0 H LEU A 7 20.278 -9.331 7.826 1.00 14.47 H new ATOM 0 HA LEU A 7 21.870 -7.079 6.853 1.00 14.40 H new ATOM 0 HB2 LEU A 7 19.071 -8.167 6.379 1.00 14.97 H new ATOM 0 HB3 LEU A 7 19.550 -6.617 5.716 1.00 14.97 H new ATOM 0 HG LEU A 7 21.588 -7.774 4.691 1.00 15.35 H new ATOM 0 HD11 LEU A 7 21.478 -10.243 4.488 1.00 15.68 H new ATOM 0 HD12 LEU A 7 21.601 -9.746 6.193 1.00 15.68 H new ATOM 0 HD13 LEU A 7 20.033 -10.264 5.528 1.00 15.68 H new ATOM 0 HD21 LEU A 7 20.273 -8.798 2.848 1.00 15.83 H new ATOM 0 HD22 LEU A 7 18.828 -8.810 3.888 1.00 15.83 H new ATOM 0 HD23 LEU A 7 19.544 -7.263 3.376 1.00 15.83 H new ATOM 126 N ASN A 8 21.002 -5.141 8.188 1.00 13.63 N ATOM 127 CA ASN A 8 20.535 -4.036 9.074 1.00 13.29 C ATOM 128 C ASN A 8 19.113 -3.625 8.685 1.00 12.82 C ATOM 129 O ASN A 8 18.272 -3.393 9.531 1.00 12.84 O ATOM 130 CB ASN A 8 21.472 -2.836 8.933 1.00 13.45 C ATOM 131 CG ASN A 8 20.996 -1.709 9.849 1.00 13.72 C ATOM 132 OD1 ASN A 8 20.216 -1.935 10.753 1.00 13.79 O ATOM 133 ND2 ASN A 8 21.437 -0.497 9.655 1.00 14.06 N ATOM 0 H ASN A 8 21.834 -4.932 7.636 1.00 13.63 H new ATOM 0 HA ASN A 8 20.538 -4.380 10.108 1.00 13.29 H new ATOM 0 HB2 ASN A 8 22.491 -3.124 9.192 1.00 13.45 H new ATOM 0 HB3 ASN A 8 21.490 -2.495 7.898 1.00 13.45 H new ATOM 0 HD21 ASN A 8 21.127 0.262 10.262 1.00 14.06 H new ATOM 0 HD22 ASN A 8 22.092 -0.308 8.896 1.00 14.06 H new ATOM 140 N ALA A 9 18.833 -3.533 7.412 1.00 12.57 N ATOM 141 CA ALA A 9 17.462 -3.137 6.981 1.00 12.28 C ATOM 142 C ALA A 9 16.548 -4.363 7.036 1.00 11.84 C ATOM 143 O ALA A 9 16.975 -5.475 6.799 1.00 12.04 O ATOM 144 CB ALA A 9 17.507 -2.589 5.551 1.00 12.50 C ATOM 0 H ALA A 9 19.492 -3.714 6.655 1.00 12.57 H new ATOM 0 HA ALA A 9 17.078 -2.363 7.645 1.00 12.28 H new ATOM 0 HB1 ALA A 9 16.503 -2.301 5.240 1.00 12.50 H new ATOM 0 HB2 ALA A 9 18.162 -1.718 5.515 1.00 12.50 H new ATOM 0 HB3 ALA A 9 17.888 -3.357 4.879 1.00 12.50 H new ATOM 150 N GLN A 10 15.297 -4.173 7.351 1.00 11.42 N ATOM 151 CA GLN A 10 14.364 -5.334 7.422 1.00 11.16 C ATOM 152 C GLN A 10 14.152 -5.896 6.016 1.00 10.55 C ATOM 153 O GLN A 10 13.937 -7.078 5.835 1.00 10.61 O ATOM 154 CB GLN A 10 13.025 -4.878 8.010 1.00 11.48 C ATOM 155 CG GLN A 10 12.447 -3.745 7.159 1.00 11.97 C ATOM 156 CD GLN A 10 11.131 -3.258 7.773 1.00 12.47 C ATOM 157 OE1 GLN A 10 10.549 -3.927 8.604 1.00 12.70 O ATOM 158 NE2 GLN A 10 10.636 -2.109 7.398 1.00 12.83 N ATOM 0 H GLN A 10 14.880 -3.266 7.562 1.00 11.42 H new ATOM 0 HA GLN A 10 14.788 -6.109 8.060 1.00 11.16 H new ATOM 0 HB2 GLN A 10 12.327 -5.715 8.042 1.00 11.48 H new ATOM 0 HB3 GLN A 10 13.164 -4.540 9.037 1.00 11.48 H new ATOM 0 HG2 GLN A 10 13.159 -2.922 7.100 1.00 11.97 H new ATOM 0 HG3 GLN A 10 12.277 -4.093 6.140 1.00 11.97 H new ATOM 0 HE21 GLN A 10 11.124 -1.547 6.701 1.00 12.83 H new ATOM 0 HE22 GLN A 10 9.762 -1.774 7.803 1.00 12.83 H new ATOM 167 N HIS A 11 14.219 -5.055 5.017 1.00 10.17 N ATOM 168 CA HIS A 11 14.030 -5.528 3.612 1.00 9.77 C ATOM 169 C HIS A 11 14.960 -4.735 2.687 1.00 9.16 C ATOM 170 O HIS A 11 16.144 -4.995 2.613 1.00 9.25 O ATOM 171 CB HIS A 11 12.573 -5.306 3.196 1.00 10.00 C ATOM 172 CG HIS A 11 12.387 -5.728 1.764 1.00 10.27 C ATOM 173 ND1 HIS A 11 12.568 -7.037 1.349 1.00 10.64 N ATOM 174 CD2 HIS A 11 12.035 -5.023 0.640 1.00 10.49 C ATOM 175 CE1 HIS A 11 12.328 -7.081 0.026 1.00 11.05 C ATOM 176 NE2 HIS A 11 11.998 -5.879 -0.457 1.00 10.99 N ATOM 0 H HIS A 11 14.397 -4.055 5.114 1.00 10.17 H new ATOM 0 HA HIS A 11 14.267 -6.590 3.542 1.00 9.77 H new ATOM 0 HB2 HIS A 11 11.908 -5.878 3.843 1.00 10.00 H new ATOM 0 HB3 HIS A 11 12.307 -4.256 3.314 1.00 10.00 H new ATOM 0 HD2 HIS A 11 11.820 -3.965 0.611 1.00 10.49 H new ATOM 0 HE1 HIS A 11 12.394 -7.978 -0.573 1.00 11.05 H new ATOM 0 HE2 HIS A 11 11.768 -5.640 -1.422 1.00 10.99 H new ATOM 184 N ASP A 12 14.434 -3.766 1.985 1.00 8.78 N ATOM 185 CA ASP A 12 15.287 -2.953 1.068 1.00 8.41 C ATOM 186 C ASP A 12 16.221 -2.060 1.890 1.00 7.70 C ATOM 187 O ASP A 12 15.912 -1.682 3.002 1.00 7.84 O ATOM 188 CB ASP A 12 14.395 -2.078 0.185 1.00 8.97 C ATOM 189 CG ASP A 12 15.233 -1.451 -0.931 1.00 9.57 C ATOM 190 OD1 ASP A 12 16.054 -0.602 -0.624 1.00 9.72 O ATOM 191 OD2 ASP A 12 15.038 -1.829 -2.075 1.00 10.08 O ATOM 0 H ASP A 12 13.449 -3.502 2.007 1.00 8.78 H new ATOM 0 HA ASP A 12 15.881 -3.619 0.442 1.00 8.41 H new ATOM 0 HB2 ASP A 12 13.591 -2.677 -0.243 1.00 8.97 H new ATOM 0 HB3 ASP A 12 13.927 -1.297 0.784 1.00 8.97 H new ATOM 196 N GLU A 13 17.360 -1.720 1.351 1.00 7.20 N ATOM 197 CA GLU A 13 18.311 -0.852 2.102 1.00 6.75 C ATOM 198 C GLU A 13 17.636 0.486 2.409 1.00 5.96 C ATOM 199 O GLU A 13 17.787 1.037 3.482 1.00 6.13 O ATOM 200 CB GLU A 13 19.557 -0.607 1.247 1.00 7.22 C ATOM 201 CG GLU A 13 20.363 -1.903 1.135 1.00 7.84 C ATOM 202 CD GLU A 13 19.607 -2.892 0.244 1.00 8.59 C ATOM 203 OE1 GLU A 13 18.808 -2.442 -0.560 1.00 9.12 O ATOM 204 OE2 GLU A 13 19.841 -4.081 0.381 1.00 8.85 O ATOM 0 H GLU A 13 17.673 -2.006 0.423 1.00 7.20 H new ATOM 0 HA GLU A 13 18.598 -1.341 3.033 1.00 6.75 H new ATOM 0 HB2 GLU A 13 19.268 -0.259 0.255 1.00 7.22 H new ATOM 0 HB3 GLU A 13 20.169 0.177 1.693 1.00 7.22 H new ATOM 0 HG2 GLU A 13 21.348 -1.697 0.716 1.00 7.84 H new ATOM 0 HG3 GLU A 13 20.521 -2.334 2.124 1.00 7.84 H new ATOM 211 N ALA A 14 16.888 1.008 1.469 1.00 5.44 N ATOM 212 CA ALA A 14 16.185 2.313 1.680 1.00 4.96 C ATOM 213 C ALA A 14 14.684 2.051 1.815 1.00 4.30 C ATOM 214 O ALA A 14 14.144 1.157 1.193 1.00 4.43 O ATOM 215 CB ALA A 14 16.436 3.220 0.472 1.00 5.39 C ATOM 0 H ALA A 14 16.732 0.582 0.555 1.00 5.44 H new ATOM 0 HA ALA A 14 16.558 2.796 2.583 1.00 4.96 H new ATOM 0 HB1 ALA A 14 15.926 4.172 0.620 1.00 5.39 H new ATOM 0 HB2 ALA A 14 17.507 3.394 0.364 1.00 5.39 H new ATOM 0 HB3 ALA A 14 16.054 2.740 -0.429 1.00 5.39 H new ATOM 221 N VAL A 15 14.000 2.817 2.626 1.00 4.01 N ATOM 222 CA VAL A 15 12.533 2.597 2.799 1.00 3.71 C ATOM 223 C VAL A 15 11.765 3.418 1.761 1.00 3.13 C ATOM 224 O VAL A 15 11.867 4.627 1.707 1.00 3.40 O ATOM 225 CB VAL A 15 12.107 3.019 4.211 1.00 4.37 C ATOM 226 CG1 VAL A 15 12.870 2.179 5.239 1.00 5.04 C ATOM 227 CG2 VAL A 15 12.413 4.509 4.432 1.00 4.89 C ATOM 0 H VAL A 15 14.392 3.583 3.174 1.00 4.01 H new ATOM 0 HA VAL A 15 12.309 1.539 2.660 1.00 3.71 H new ATOM 0 HB VAL A 15 11.035 2.859 4.327 1.00 4.37 H new ATOM 0 HG11 VAL A 15 12.571 2.475 6.245 1.00 5.04 H new ATOM 0 HG12 VAL A 15 12.642 1.124 5.088 1.00 5.04 H new ATOM 0 HG13 VAL A 15 13.941 2.339 5.117 1.00 5.04 H new ATOM 0 HG21 VAL A 15 12.107 4.798 5.437 1.00 4.89 H new ATOM 0 HG22 VAL A 15 13.483 4.682 4.315 1.00 4.89 H new ATOM 0 HG23 VAL A 15 11.867 5.105 3.701 1.00 4.89 H new ATOM 237 N ASP A 16 10.997 2.763 0.933 1.00 2.67 N ATOM 238 CA ASP A 16 10.217 3.494 -0.107 1.00 2.25 C ATOM 239 C ASP A 16 8.898 3.978 0.497 1.00 2.00 C ATOM 240 O ASP A 16 8.532 3.601 1.593 1.00 2.47 O ATOM 241 CB ASP A 16 9.919 2.555 -1.278 1.00 2.31 C ATOM 242 CG ASP A 16 9.052 1.391 -0.793 1.00 2.96 C ATOM 243 OD1 ASP A 16 9.038 1.147 0.402 1.00 3.42 O ATOM 244 OD2 ASP A 16 8.418 0.763 -1.626 1.00 3.45 O ATOM 0 H ASP A 16 10.876 1.750 0.932 1.00 2.67 H new ATOM 0 HA ASP A 16 10.796 4.347 -0.461 1.00 2.25 H new ATOM 0 HB2 ASP A 16 9.406 3.098 -2.072 1.00 2.31 H new ATOM 0 HB3 ASP A 16 10.850 2.177 -1.701 1.00 2.31 H new ATOM 249 N ALA A 17 8.177 4.807 -0.210 1.00 1.74 N ATOM 250 CA ALA A 17 6.876 5.310 0.322 1.00 1.64 C ATOM 251 C ALA A 17 5.922 5.591 -0.839 1.00 1.34 C ATOM 252 O ALA A 17 4.725 5.417 -0.725 1.00 1.86 O ATOM 253 CB ALA A 17 7.108 6.603 1.107 1.00 2.03 C ATOM 0 H ALA A 17 8.432 5.158 -1.133 1.00 1.74 H new ATOM 0 HA ALA A 17 6.441 4.556 0.979 1.00 1.64 H new ATOM 0 HB1 ALA A 17 6.157 6.969 1.495 1.00 2.03 H new ATOM 0 HB2 ALA A 17 7.787 6.408 1.937 1.00 2.03 H new ATOM 0 HB3 ALA A 17 7.545 7.354 0.449 1.00 2.03 H new ATOM 259 N ASN A 18 6.438 6.031 -1.953 1.00 0.95 N ATOM 260 CA ASN A 18 5.553 6.328 -3.114 1.00 0.77 C ATOM 261 C ASN A 18 4.822 5.055 -3.550 1.00 0.65 C ATOM 262 O ASN A 18 3.654 5.085 -3.882 1.00 1.18 O ATOM 263 CB ASN A 18 6.400 6.853 -4.274 1.00 0.93 C ATOM 264 CG ASN A 18 6.898 8.262 -3.944 1.00 1.47 C ATOM 265 OD1 ASN A 18 8.044 8.585 -4.183 1.00 2.24 O ATOM 266 ND2 ASN A 18 6.076 9.121 -3.403 1.00 1.85 N ATOM 0 H ASN A 18 7.432 6.197 -2.110 1.00 0.95 H new ATOM 0 HA ASN A 18 4.819 7.080 -2.825 1.00 0.77 H new ATOM 0 HB2 ASN A 18 7.246 6.189 -4.451 1.00 0.93 H new ATOM 0 HB3 ASN A 18 5.811 6.869 -5.191 1.00 0.93 H new ATOM 0 HD21 ASN A 18 6.397 10.064 -3.181 1.00 1.85 H new ATOM 0 HD22 ASN A 18 5.114 8.849 -3.202 1.00 1.85 H new ATOM 273 N SER A 19 5.494 3.937 -3.551 1.00 0.49 N ATOM 274 CA SER A 19 4.825 2.673 -3.967 1.00 0.33 C ATOM 275 C SER A 19 3.801 2.268 -2.905 1.00 0.29 C ATOM 276 O SER A 19 2.708 1.838 -3.214 1.00 0.28 O ATOM 277 CB SER A 19 5.873 1.571 -4.115 1.00 0.41 C ATOM 278 OG SER A 19 6.414 1.263 -2.838 1.00 0.80 O ATOM 0 H SER A 19 6.474 3.844 -3.283 1.00 0.49 H new ATOM 0 HA SER A 19 4.318 2.822 -4.921 1.00 0.33 H new ATOM 0 HB2 SER A 19 5.423 0.682 -4.556 1.00 0.41 H new ATOM 0 HB3 SER A 19 6.665 1.895 -4.790 1.00 0.41 H new ATOM 0 HG SER A 19 7.383 1.141 -2.914 1.00 0.80 H new ATOM 284 N LEU A 20 4.142 2.414 -1.654 1.00 0.31 N ATOM 285 CA LEU A 20 3.184 2.048 -0.575 1.00 0.32 C ATOM 286 C LEU A 20 2.007 3.025 -0.605 1.00 0.25 C ATOM 287 O LEU A 20 0.866 2.644 -0.445 1.00 0.23 O ATOM 288 CB LEU A 20 3.892 2.140 0.786 1.00 0.41 C ATOM 289 CG LEU A 20 4.759 0.894 1.027 1.00 0.45 C ATOM 290 CD1 LEU A 20 3.875 -0.355 1.223 1.00 0.99 C ATOM 291 CD2 LEU A 20 5.703 0.683 -0.164 1.00 1.09 C ATOM 0 H LEU A 20 5.042 2.771 -1.333 1.00 0.31 H new ATOM 0 HA LEU A 20 2.823 1.031 -0.727 1.00 0.32 H new ATOM 0 HB2 LEU A 20 4.514 3.035 0.819 1.00 0.41 H new ATOM 0 HB3 LEU A 20 3.153 2.235 1.581 1.00 0.41 H new ATOM 0 HG LEU A 20 5.346 1.047 1.933 1.00 0.45 H new ATOM 0 HD11 LEU A 20 4.508 -1.226 1.392 1.00 0.99 H new ATOM 0 HD12 LEU A 20 3.223 -0.208 2.084 1.00 0.99 H new ATOM 0 HD13 LEU A 20 3.268 -0.515 0.332 1.00 0.99 H new ATOM 0 HD21 LEU A 20 6.316 -0.201 0.010 1.00 1.09 H new ATOM 0 HD22 LEU A 20 5.117 0.545 -1.073 1.00 1.09 H new ATOM 0 HD23 LEU A 20 6.347 1.555 -0.277 1.00 1.09 H new ATOM 303 N ALA A 21 2.281 4.282 -0.811 1.00 0.24 N ATOM 304 CA ALA A 21 1.190 5.286 -0.852 1.00 0.22 C ATOM 305 C ALA A 21 0.332 5.078 -2.103 1.00 0.18 C ATOM 306 O ALA A 21 -0.878 5.114 -2.046 1.00 0.19 O ATOM 307 CB ALA A 21 1.796 6.691 -0.878 1.00 0.27 C ATOM 0 H ALA A 21 3.219 4.656 -0.953 1.00 0.24 H new ATOM 0 HA ALA A 21 0.564 5.170 0.032 1.00 0.22 H new ATOM 0 HB1 ALA A 21 0.997 7.431 -0.908 1.00 0.27 H new ATOM 0 HB2 ALA A 21 2.399 6.844 0.017 1.00 0.27 H new ATOM 0 HB3 ALA A 21 2.425 6.800 -1.762 1.00 0.27 H new ATOM 313 N GLU A 22 0.942 4.863 -3.238 1.00 0.18 N ATOM 314 CA GLU A 22 0.136 4.665 -4.477 1.00 0.19 C ATOM 315 C GLU A 22 -0.775 3.451 -4.300 1.00 0.18 C ATOM 316 O GLU A 22 -1.953 3.502 -4.592 1.00 0.21 O ATOM 317 CB GLU A 22 1.069 4.445 -5.671 1.00 0.24 C ATOM 318 CG GLU A 22 0.246 4.254 -6.950 1.00 0.50 C ATOM 319 CD GLU A 22 1.187 4.091 -8.145 1.00 0.68 C ATOM 320 OE1 GLU A 22 2.378 4.284 -7.967 1.00 1.15 O ATOM 321 OE2 GLU A 22 0.699 3.780 -9.220 1.00 1.27 O ATOM 0 H GLU A 22 1.954 4.816 -3.361 1.00 0.18 H new ATOM 0 HA GLU A 22 -0.473 5.550 -4.660 1.00 0.19 H new ATOM 0 HB2 GLU A 22 1.738 5.299 -5.783 1.00 0.24 H new ATOM 0 HB3 GLU A 22 1.695 3.570 -5.497 1.00 0.24 H new ATOM 0 HG2 GLU A 22 -0.394 3.377 -6.855 1.00 0.50 H new ATOM 0 HG3 GLU A 22 -0.409 5.111 -7.104 1.00 0.50 H new ATOM 328 N ALA A 23 -0.246 2.363 -3.815 1.00 0.18 N ATOM 329 CA ALA A 23 -1.094 1.158 -3.613 1.00 0.19 C ATOM 330 C ALA A 23 -2.217 1.506 -2.637 1.00 0.15 C ATOM 331 O ALA A 23 -3.374 1.218 -2.870 1.00 0.16 O ATOM 332 CB ALA A 23 -0.246 0.024 -3.035 1.00 0.23 C ATOM 0 H ALA A 23 0.733 2.257 -3.551 1.00 0.18 H new ATOM 0 HA ALA A 23 -1.515 0.837 -4.566 1.00 0.19 H new ATOM 0 HB1 ALA A 23 -0.869 -0.858 -2.888 1.00 0.23 H new ATOM 0 HB2 ALA A 23 0.562 -0.214 -3.726 1.00 0.23 H new ATOM 0 HB3 ALA A 23 0.174 0.335 -2.079 1.00 0.23 H new ATOM 338 N LYS A 24 -1.877 2.133 -1.546 1.00 0.15 N ATOM 339 CA LYS A 24 -2.909 2.512 -0.546 1.00 0.18 C ATOM 340 C LYS A 24 -3.815 3.591 -1.143 1.00 0.19 C ATOM 341 O LYS A 24 -5.014 3.583 -0.954 1.00 0.26 O ATOM 342 CB LYS A 24 -2.217 3.054 0.706 1.00 0.22 C ATOM 343 CG LYS A 24 -1.503 1.908 1.428 1.00 0.21 C ATOM 344 CD LYS A 24 -0.810 2.446 2.680 1.00 0.27 C ATOM 345 CE LYS A 24 -0.095 1.303 3.402 1.00 0.53 C ATOM 346 NZ LYS A 24 0.783 1.863 4.468 1.00 1.23 N ATOM 0 H LYS A 24 -0.923 2.400 -1.304 1.00 0.15 H new ATOM 0 HA LYS A 24 -3.509 1.642 -0.281 1.00 0.18 H new ATOM 0 HB2 LYS A 24 -1.501 3.829 0.433 1.00 0.22 H new ATOM 0 HB3 LYS A 24 -2.949 3.516 1.368 1.00 0.22 H new ATOM 0 HG2 LYS A 24 -2.220 1.133 1.701 1.00 0.21 H new ATOM 0 HG3 LYS A 24 -0.772 1.446 0.765 1.00 0.21 H new ATOM 0 HD2 LYS A 24 -0.094 3.221 2.407 1.00 0.27 H new ATOM 0 HD3 LYS A 24 -1.542 2.907 3.343 1.00 0.27 H new ATOM 0 HE2 LYS A 24 -0.825 0.621 3.838 1.00 0.53 H new ATOM 0 HE3 LYS A 24 0.498 0.725 2.693 1.00 0.53 H new ATOM 0 HZ1 LYS A 24 0.917 1.153 5.216 1.00 1.23 H new ATOM 0 HZ2 LYS A 24 1.706 2.115 4.061 1.00 1.23 H new ATOM 0 HZ3 LYS A 24 0.340 2.712 4.872 1.00 1.23 H new ATOM 360 N VAL A 25 -3.249 4.524 -1.864 1.00 0.19 N ATOM 361 CA VAL A 25 -4.086 5.598 -2.469 1.00 0.23 C ATOM 362 C VAL A 25 -5.004 4.994 -3.538 1.00 0.24 C ATOM 363 O VAL A 25 -6.193 5.245 -3.554 1.00 0.27 O ATOM 364 CB VAL A 25 -3.181 6.670 -3.090 1.00 0.27 C ATOM 365 CG1 VAL A 25 -4.024 7.642 -3.925 1.00 0.34 C ATOM 366 CG2 VAL A 25 -2.456 7.447 -1.973 1.00 0.29 C ATOM 0 H VAL A 25 -2.250 4.587 -2.058 1.00 0.19 H new ATOM 0 HA VAL A 25 -4.700 6.060 -1.696 1.00 0.23 H new ATOM 0 HB VAL A 25 -2.445 6.187 -3.733 1.00 0.27 H new ATOM 0 HG11 VAL A 25 -3.376 8.401 -4.364 1.00 0.34 H new ATOM 0 HG12 VAL A 25 -4.531 7.094 -4.720 1.00 0.34 H new ATOM 0 HG13 VAL A 25 -4.765 8.122 -3.286 1.00 0.34 H new ATOM 0 HG21 VAL A 25 -1.814 8.208 -2.417 1.00 0.29 H new ATOM 0 HG22 VAL A 25 -3.191 7.925 -1.326 1.00 0.29 H new ATOM 0 HG23 VAL A 25 -1.849 6.758 -1.385 1.00 0.29 H new ATOM 376 N LEU A 26 -4.471 4.195 -4.425 1.00 0.22 N ATOM 377 CA LEU A 26 -5.334 3.582 -5.476 1.00 0.25 C ATOM 378 C LEU A 26 -6.413 2.727 -4.809 1.00 0.23 C ATOM 379 O LEU A 26 -7.560 2.733 -5.209 1.00 0.28 O ATOM 380 CB LEU A 26 -4.486 2.703 -6.404 1.00 0.26 C ATOM 381 CG LEU A 26 -3.563 3.568 -7.273 1.00 0.31 C ATOM 382 CD1 LEU A 26 -2.669 2.646 -8.111 1.00 0.73 C ATOM 383 CD2 LEU A 26 -4.394 4.477 -8.204 1.00 0.78 C ATOM 0 H LEU A 26 -3.484 3.942 -4.467 1.00 0.22 H new ATOM 0 HA LEU A 26 -5.801 4.373 -6.063 1.00 0.25 H new ATOM 0 HB2 LEU A 26 -3.891 2.008 -5.812 1.00 0.26 H new ATOM 0 HB3 LEU A 26 -5.137 2.103 -7.040 1.00 0.26 H new ATOM 0 HG LEU A 26 -2.951 4.202 -6.631 1.00 0.31 H new ATOM 0 HD11 LEU A 26 -2.008 3.248 -8.734 1.00 0.73 H new ATOM 0 HD12 LEU A 26 -2.072 2.018 -7.449 1.00 0.73 H new ATOM 0 HD13 LEU A 26 -3.291 2.015 -8.746 1.00 0.73 H new ATOM 0 HD21 LEU A 26 -3.724 5.084 -8.813 1.00 0.78 H new ATOM 0 HD22 LEU A 26 -5.017 3.861 -8.853 1.00 0.78 H new ATOM 0 HD23 LEU A 26 -5.029 5.129 -7.604 1.00 0.78 H new ATOM 395 N ALA A 27 -6.059 1.999 -3.786 1.00 0.18 N ATOM 396 CA ALA A 27 -7.068 1.153 -3.089 1.00 0.18 C ATOM 397 C ALA A 27 -8.043 2.060 -2.338 1.00 0.16 C ATOM 398 O ALA A 27 -9.225 1.794 -2.260 1.00 0.19 O ATOM 399 CB ALA A 27 -6.365 0.228 -2.095 1.00 0.20 C ATOM 0 H ALA A 27 -5.115 1.953 -3.403 1.00 0.18 H new ATOM 0 HA ALA A 27 -7.609 0.550 -3.819 1.00 0.18 H new ATOM 0 HB1 ALA A 27 -7.105 -0.390 -1.587 1.00 0.20 H new ATOM 0 HB2 ALA A 27 -5.663 -0.413 -2.628 1.00 0.20 H new ATOM 0 HB3 ALA A 27 -5.825 0.826 -1.361 1.00 0.20 H new ATOM 405 N ASN A 28 -7.544 3.126 -1.777 1.00 0.15 N ATOM 406 CA ASN A 28 -8.421 4.059 -1.016 1.00 0.14 C ATOM 407 C ASN A 28 -9.512 4.617 -1.938 1.00 0.15 C ATOM 408 O ASN A 28 -10.650 4.770 -1.541 1.00 0.18 O ATOM 409 CB ASN A 28 -7.571 5.212 -0.476 1.00 0.15 C ATOM 410 CG ASN A 28 -8.437 6.125 0.391 1.00 0.17 C ATOM 411 OD1 ASN A 28 -9.028 7.068 -0.100 1.00 0.22 O ATOM 412 ND2 ASN A 28 -8.530 5.889 1.671 1.00 0.22 N ATOM 0 H ASN A 28 -6.560 3.393 -1.813 1.00 0.15 H new ATOM 0 HA ASN A 28 -8.891 3.525 -0.190 1.00 0.14 H new ATOM 0 HB2 ASN A 28 -6.739 4.821 0.109 1.00 0.15 H new ATOM 0 HB3 ASN A 28 -7.141 5.779 -1.302 1.00 0.15 H new ATOM 0 HD21 ASN A 28 -9.099 6.496 2.261 1.00 0.22 H new ATOM 0 HD22 ASN A 28 -8.034 5.098 2.081 1.00 0.22 H new ATOM 419 N ARG A 29 -9.174 4.932 -3.161 1.00 0.18 N ATOM 420 CA ARG A 29 -10.195 5.490 -4.097 1.00 0.22 C ATOM 421 C ARG A 29 -11.343 4.496 -4.291 1.00 0.19 C ATOM 422 O ARG A 29 -12.496 4.876 -4.344 1.00 0.21 O ATOM 423 CB ARG A 29 -9.546 5.778 -5.452 1.00 0.31 C ATOM 424 CG ARG A 29 -8.589 6.965 -5.323 1.00 1.18 C ATOM 425 CD ARG A 29 -7.945 7.244 -6.681 1.00 1.46 C ATOM 426 NE ARG A 29 -6.930 8.341 -6.548 1.00 2.22 N ATOM 427 CZ ARG A 29 -7.258 9.535 -6.130 1.00 2.79 C ATOM 428 NH1 ARG A 29 -8.511 9.861 -5.969 1.00 2.95 N ATOM 429 NH2 ARG A 29 -6.326 10.423 -5.915 1.00 3.73 N ATOM 0 H ARG A 29 -8.238 4.827 -3.552 1.00 0.18 H new ATOM 0 HA ARG A 29 -10.591 6.412 -3.671 1.00 0.22 H new ATOM 0 HB2 ARG A 29 -9.005 4.899 -5.801 1.00 0.31 H new ATOM 0 HB3 ARG A 29 -10.313 5.996 -6.195 1.00 0.31 H new ATOM 0 HG2 ARG A 29 -9.129 7.846 -4.976 1.00 1.18 H new ATOM 0 HG3 ARG A 29 -7.821 6.749 -4.581 1.00 1.18 H new ATOM 0 HD2 ARG A 29 -7.469 6.340 -7.060 1.00 1.46 H new ATOM 0 HD3 ARG A 29 -8.709 7.529 -7.404 1.00 1.46 H new ATOM 0 HE ARG A 29 -5.958 8.150 -6.790 1.00 2.22 H new ATOM 0 HH11 ARG A 29 -9.245 9.181 -6.170 1.00 2.95 H new ATOM 0 HH12 ARG A 29 -8.757 10.795 -5.642 1.00 2.95 H new ATOM 0 HH21 ARG A 29 -5.347 10.184 -6.073 1.00 3.73 H new ATOM 0 HH22 ARG A 29 -6.576 11.356 -5.589 1.00 3.73 H new ATOM 443 N GLU A 30 -11.050 3.229 -4.399 1.00 0.21 N ATOM 444 CA GLU A 30 -12.148 2.239 -4.589 1.00 0.28 C ATOM 445 C GLU A 30 -13.105 2.306 -3.401 1.00 0.27 C ATOM 446 O GLU A 30 -14.304 2.396 -3.566 1.00 0.33 O ATOM 447 CB GLU A 30 -11.564 0.828 -4.691 1.00 0.37 C ATOM 448 CG GLU A 30 -10.809 0.680 -6.011 1.00 0.60 C ATOM 449 CD GLU A 30 -11.807 0.669 -7.171 1.00 0.64 C ATOM 450 OE1 GLU A 30 -12.971 0.400 -6.922 1.00 1.33 O ATOM 451 OE2 GLU A 30 -11.391 0.930 -8.287 1.00 1.39 O ATOM 0 H GLU A 30 -10.108 2.839 -4.364 1.00 0.21 H new ATOM 0 HA GLU A 30 -12.686 2.473 -5.507 1.00 0.28 H new ATOM 0 HB2 GLU A 30 -10.892 0.640 -3.853 1.00 0.37 H new ATOM 0 HB3 GLU A 30 -12.362 0.088 -4.632 1.00 0.37 H new ATOM 0 HG2 GLU A 30 -10.103 1.501 -6.132 1.00 0.60 H new ATOM 0 HG3 GLU A 30 -10.228 -0.242 -6.008 1.00 0.60 H new ATOM 458 N LEU A 31 -12.586 2.272 -2.206 1.00 0.23 N ATOM 459 CA LEU A 31 -13.477 2.341 -1.015 1.00 0.28 C ATOM 460 C LEU A 31 -14.245 3.652 -1.072 1.00 0.32 C ATOM 461 O LEU A 31 -15.444 3.702 -0.885 1.00 0.43 O ATOM 462 CB LEU A 31 -12.638 2.304 0.264 1.00 0.26 C ATOM 463 CG LEU A 31 -11.593 1.199 0.149 1.00 0.25 C ATOM 464 CD1 LEU A 31 -10.857 1.050 1.482 1.00 0.27 C ATOM 465 CD2 LEU A 31 -12.276 -0.125 -0.216 1.00 0.33 C ATOM 0 H LEU A 31 -11.589 2.200 -2.003 1.00 0.23 H new ATOM 0 HA LEU A 31 -14.163 1.494 -1.013 1.00 0.28 H new ATOM 0 HB2 LEU A 31 -12.151 3.266 0.421 1.00 0.26 H new ATOM 0 HB3 LEU A 31 -13.278 2.126 1.128 1.00 0.26 H new ATOM 0 HG LEU A 31 -10.878 1.459 -0.631 1.00 0.25 H new ATOM 0 HD11 LEU A 31 -10.110 0.260 1.399 1.00 0.27 H new ATOM 0 HD12 LEU A 31 -10.365 1.990 1.733 1.00 0.27 H new ATOM 0 HD13 LEU A 31 -11.571 0.794 2.265 1.00 0.27 H new ATOM 0 HD21 LEU A 31 -11.526 -0.911 -0.297 1.00 0.33 H new ATOM 0 HD22 LEU A 31 -12.996 -0.389 0.559 1.00 0.33 H new ATOM 0 HD23 LEU A 31 -12.793 -0.017 -1.170 1.00 0.33 H new ATOM 477 N ASP A 32 -13.548 4.714 -1.346 1.00 0.28 N ATOM 478 CA ASP A 32 -14.205 6.037 -1.440 1.00 0.35 C ATOM 479 C ASP A 32 -15.255 5.968 -2.545 1.00 0.42 C ATOM 480 O ASP A 32 -16.361 6.449 -2.405 1.00 0.54 O ATOM 481 CB ASP A 32 -13.145 7.078 -1.797 1.00 0.38 C ATOM 482 CG ASP A 32 -13.787 8.463 -1.897 1.00 0.54 C ATOM 483 OD1 ASP A 32 -14.994 8.526 -2.065 1.00 1.12 O ATOM 484 OD2 ASP A 32 -13.061 9.437 -1.801 1.00 1.14 O ATOM 0 H ASP A 32 -12.541 4.720 -1.510 1.00 0.28 H new ATOM 0 HA ASP A 32 -14.679 6.309 -0.497 1.00 0.35 H new ATOM 0 HB2 ASP A 32 -12.361 7.085 -1.040 1.00 0.38 H new ATOM 0 HB3 ASP A 32 -12.672 6.818 -2.744 1.00 0.38 H new ATOM 489 N LYS A 33 -14.908 5.355 -3.642 1.00 0.38 N ATOM 490 CA LYS A 33 -15.870 5.225 -4.767 1.00 0.46 C ATOM 491 C LYS A 33 -17.099 4.451 -4.285 1.00 0.42 C ATOM 492 O LYS A 33 -18.224 4.842 -4.525 1.00 0.46 O ATOM 493 CB LYS A 33 -15.186 4.475 -5.917 1.00 0.58 C ATOM 494 CG LYS A 33 -16.147 4.324 -7.123 1.00 0.74 C ATOM 495 CD LYS A 33 -16.857 2.959 -7.099 1.00 1.34 C ATOM 496 CE LYS A 33 -17.511 2.712 -8.457 1.00 1.16 C ATOM 497 NZ LYS A 33 -18.541 3.760 -8.710 1.00 1.78 N ATOM 0 H LYS A 33 -13.993 4.936 -3.807 1.00 0.38 H new ATOM 0 HA LYS A 33 -16.185 6.208 -5.116 1.00 0.46 H new ATOM 0 HB2 LYS A 33 -14.289 5.013 -6.226 1.00 0.58 H new ATOM 0 HB3 LYS A 33 -14.866 3.491 -5.576 1.00 0.58 H new ATOM 0 HG2 LYS A 33 -16.888 5.123 -7.104 1.00 0.74 H new ATOM 0 HG3 LYS A 33 -15.588 4.430 -8.053 1.00 0.74 H new ATOM 0 HD2 LYS A 33 -16.142 2.167 -6.876 1.00 1.34 H new ATOM 0 HD3 LYS A 33 -17.609 2.940 -6.310 1.00 1.34 H new ATOM 0 HE2 LYS A 33 -16.757 2.730 -9.244 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -17.970 1.723 -8.477 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 -19.134 3.476 -9.516 1.00 1.78 H new ATOM 0 HZ2 LYS A 33 -19.136 3.873 -7.865 1.00 1.78 H new ATOM 0 HZ3 LYS A 33 -18.072 4.663 -8.926 1.00 1.78 H new ATOM 511 N TYR A 34 -16.893 3.359 -3.598 1.00 0.36 N ATOM 512 CA TYR A 34 -18.050 2.566 -3.093 1.00 0.37 C ATOM 513 C TYR A 34 -18.750 3.346 -1.976 1.00 0.33 C ATOM 514 O TYR A 34 -19.946 3.241 -1.789 1.00 0.55 O ATOM 515 CB TYR A 34 -17.569 1.212 -2.557 1.00 0.40 C ATOM 516 CG TYR A 34 -17.108 0.333 -3.703 1.00 0.59 C ATOM 517 CD1 TYR A 34 -18.027 -0.089 -4.673 1.00 1.03 C ATOM 518 CD2 TYR A 34 -15.765 -0.068 -3.793 1.00 1.10 C ATOM 519 CE1 TYR A 34 -17.607 -0.906 -5.730 1.00 1.16 C ATOM 520 CE2 TYR A 34 -15.347 -0.884 -4.852 1.00 1.25 C ATOM 521 CZ TYR A 34 -16.268 -1.302 -5.820 1.00 0.99 C ATOM 522 OH TYR A 34 -15.855 -2.107 -6.862 1.00 1.20 O ATOM 0 H TYR A 34 -15.974 2.983 -3.365 1.00 0.36 H new ATOM 0 HA TYR A 34 -18.749 2.391 -3.911 1.00 0.37 H new ATOM 0 HB2 TYR A 34 -16.752 1.361 -1.851 1.00 0.40 H new ATOM 0 HB3 TYR A 34 -18.375 0.720 -2.013 1.00 0.40 H new ATOM 0 HD1 TYR A 34 -19.061 0.216 -4.605 1.00 1.03 H new ATOM 0 HD2 TYR A 34 -15.054 0.253 -3.046 1.00 1.10 H new ATOM 0 HE1 TYR A 34 -18.317 -1.231 -6.476 1.00 1.16 H new ATOM 0 HE2 TYR A 34 -14.314 -1.191 -4.922 1.00 1.25 H new ATOM 0 HH TYR A 34 -14.896 -2.288 -6.775 1.00 1.20 H new ATOM 532 N GLY A 35 -18.015 4.133 -1.232 1.00 0.24 N ATOM 533 CA GLY A 35 -18.638 4.925 -0.127 1.00 0.31 C ATOM 534 C GLY A 35 -18.560 4.141 1.186 1.00 0.31 C ATOM 535 O GLY A 35 -19.407 4.270 2.047 1.00 0.36 O ATOM 0 H GLY A 35 -17.009 4.262 -1.342 1.00 0.24 H new ATOM 0 HA2 GLY A 35 -18.126 5.881 -0.020 1.00 0.31 H new ATOM 0 HA3 GLY A 35 -19.678 5.145 -0.368 1.00 0.31 H new ATOM 539 N VAL A 36 -17.549 3.334 1.348 1.00 0.33 N ATOM 540 CA VAL A 36 -17.414 2.548 2.609 1.00 0.38 C ATOM 541 C VAL A 36 -17.049 3.497 3.756 1.00 0.42 C ATOM 542 O VAL A 36 -16.587 4.600 3.539 1.00 0.45 O ATOM 543 CB VAL A 36 -16.318 1.484 2.446 1.00 0.41 C ATOM 544 CG1 VAL A 36 -16.532 0.352 3.457 1.00 0.71 C ATOM 545 CG2 VAL A 36 -16.373 0.915 1.026 1.00 0.66 C ATOM 0 H VAL A 36 -16.809 3.184 0.662 1.00 0.33 H new ATOM 0 HA VAL A 36 -18.358 2.051 2.832 1.00 0.38 H new ATOM 0 HB VAL A 36 -15.345 1.941 2.623 1.00 0.41 H new ATOM 0 HG11 VAL A 36 -15.751 -0.398 3.334 1.00 0.71 H new ATOM 0 HG12 VAL A 36 -16.492 0.755 4.469 1.00 0.71 H new ATOM 0 HG13 VAL A 36 -17.506 -0.108 3.288 1.00 0.71 H new ATOM 0 HG21 VAL A 36 -15.597 0.159 0.906 1.00 0.66 H new ATOM 0 HG22 VAL A 36 -17.349 0.462 0.853 1.00 0.66 H new ATOM 0 HG23 VAL A 36 -16.212 1.717 0.306 1.00 0.66 H new ATOM 555 N SER A 37 -17.255 3.078 4.974 1.00 0.55 N ATOM 556 CA SER A 37 -16.924 3.955 6.132 1.00 0.64 C ATOM 557 C SER A 37 -15.435 4.313 6.101 1.00 0.50 C ATOM 558 O SER A 37 -14.639 3.655 5.461 1.00 0.93 O ATOM 559 CB SER A 37 -17.245 3.219 7.432 1.00 0.96 C ATOM 560 OG SER A 37 -18.641 2.957 7.491 1.00 1.56 O ATOM 0 H SER A 37 -17.639 2.165 5.218 1.00 0.55 H new ATOM 0 HA SER A 37 -17.514 4.870 6.074 1.00 0.64 H new ATOM 0 HB2 SER A 37 -16.686 2.285 7.482 1.00 0.96 H new ATOM 0 HB3 SER A 37 -16.940 3.820 8.289 1.00 0.96 H new ATOM 0 HG SER A 37 -18.850 2.483 8.323 1.00 1.56 H new ATOM 566 N ASP A 38 -15.060 5.361 6.784 1.00 0.43 N ATOM 567 CA ASP A 38 -13.631 5.783 6.797 1.00 0.37 C ATOM 568 C ASP A 38 -12.796 4.762 7.572 1.00 0.54 C ATOM 569 O ASP A 38 -11.586 4.730 7.470 1.00 1.41 O ATOM 570 CB ASP A 38 -13.512 7.151 7.473 1.00 0.53 C ATOM 571 CG ASP A 38 -14.129 8.224 6.573 1.00 1.52 C ATOM 572 OD1 ASP A 38 -14.260 7.971 5.387 1.00 2.16 O ATOM 573 OD2 ASP A 38 -14.457 9.281 7.086 1.00 2.35 O ATOM 0 H ASP A 38 -15.687 5.946 7.337 1.00 0.43 H new ATOM 0 HA ASP A 38 -13.265 5.845 5.772 1.00 0.37 H new ATOM 0 HB2 ASP A 38 -14.019 7.136 8.438 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -12.465 7.382 7.666 1.00 0.53 H new ATOM 578 N TYR A 39 -13.431 3.935 8.354 1.00 0.42 N ATOM 579 CA TYR A 39 -12.671 2.926 9.144 1.00 0.33 C ATOM 580 C TYR A 39 -11.885 2.000 8.208 1.00 0.25 C ATOM 581 O TYR A 39 -10.704 1.779 8.394 1.00 0.26 O ATOM 582 CB TYR A 39 -13.656 2.093 9.968 1.00 0.44 C ATOM 583 CG TYR A 39 -12.906 1.013 10.704 1.00 0.57 C ATOM 584 CD1 TYR A 39 -12.710 -0.231 10.097 1.00 1.19 C ATOM 585 CD2 TYR A 39 -12.402 1.253 11.988 1.00 1.35 C ATOM 586 CE1 TYR A 39 -12.011 -1.237 10.771 1.00 1.30 C ATOM 587 CE2 TYR A 39 -11.701 0.247 12.663 1.00 1.51 C ATOM 588 CZ TYR A 39 -11.505 -0.998 12.054 1.00 1.02 C ATOM 589 OH TYR A 39 -10.815 -1.991 12.720 1.00 1.27 O ATOM 0 H TYR A 39 -14.443 3.914 8.481 1.00 0.42 H new ATOM 0 HA TYR A 39 -11.971 3.440 9.802 1.00 0.33 H new ATOM 0 HB2 TYR A 39 -14.185 2.731 10.676 1.00 0.44 H new ATOM 0 HB3 TYR A 39 -14.408 1.649 9.316 1.00 0.44 H new ATOM 0 HD1 TYR A 39 -13.099 -0.415 9.106 1.00 1.19 H new ATOM 0 HD2 TYR A 39 -12.554 2.214 12.457 1.00 1.35 H new ATOM 0 HE1 TYR A 39 -11.862 -2.198 10.302 1.00 1.30 H new ATOM 0 HE2 TYR A 39 -11.311 0.431 13.653 1.00 1.51 H new ATOM 0 HH TYR A 39 -10.532 -1.660 13.598 1.00 1.27 H new ATOM 599 N TYR A 40 -12.523 1.450 7.210 1.00 0.25 N ATOM 600 CA TYR A 40 -11.798 0.536 6.279 1.00 0.23 C ATOM 601 C TYR A 40 -10.650 1.295 5.609 1.00 0.19 C ATOM 602 O TYR A 40 -9.563 0.778 5.446 1.00 0.19 O ATOM 603 CB TYR A 40 -12.758 0.038 5.198 1.00 0.29 C ATOM 604 CG TYR A 40 -13.906 -0.698 5.839 1.00 0.29 C ATOM 605 CD1 TYR A 40 -13.824 -2.076 6.068 1.00 0.66 C ATOM 606 CD2 TYR A 40 -15.059 0.005 6.202 1.00 0.80 C ATOM 607 CE1 TYR A 40 -14.899 -2.751 6.662 1.00 0.76 C ATOM 608 CE2 TYR A 40 -16.132 -0.667 6.793 1.00 0.94 C ATOM 609 CZ TYR A 40 -16.053 -2.045 7.025 1.00 0.70 C ATOM 610 OH TYR A 40 -17.114 -2.708 7.608 1.00 0.93 O ATOM 0 H TYR A 40 -13.511 1.593 6.999 1.00 0.25 H new ATOM 0 HA TYR A 40 -11.405 -0.310 6.842 1.00 0.23 H new ATOM 0 HB2 TYR A 40 -13.133 0.879 4.615 1.00 0.29 H new ATOM 0 HB3 TYR A 40 -12.232 -0.620 4.506 1.00 0.29 H new ATOM 0 HD1 TYR A 40 -12.933 -2.619 5.787 1.00 0.66 H new ATOM 0 HD2 TYR A 40 -15.120 1.069 6.025 1.00 0.80 H new ATOM 0 HE1 TYR A 40 -14.838 -3.815 6.840 1.00 0.76 H new ATOM 0 HE2 TYR A 40 -17.023 -0.123 7.071 1.00 0.94 H new ATOM 0 HH TYR A 40 -17.834 -2.070 7.798 1.00 0.93 H new ATOM 620 N LYS A 41 -10.882 2.521 5.227 1.00 0.18 N ATOM 621 CA LYS A 41 -9.808 3.315 4.577 1.00 0.17 C ATOM 622 C LYS A 41 -8.701 3.556 5.595 1.00 0.16 C ATOM 623 O LYS A 41 -7.528 3.488 5.290 1.00 0.17 O ATOM 624 CB LYS A 41 -10.387 4.657 4.106 1.00 0.22 C ATOM 625 CG LYS A 41 -11.194 4.463 2.799 1.00 0.79 C ATOM 626 CD LYS A 41 -12.364 5.467 2.719 1.00 1.17 C ATOM 627 CE LYS A 41 -11.863 6.927 2.691 1.00 1.68 C ATOM 628 NZ LYS A 41 -11.817 7.399 1.282 1.00 2.14 N ATOM 0 H LYS A 41 -11.772 3.006 5.339 1.00 0.18 H new ATOM 0 HA LYS A 41 -9.406 2.779 3.717 1.00 0.17 H new ATOM 0 HB2 LYS A 41 -11.030 5.075 4.880 1.00 0.22 H new ATOM 0 HB3 LYS A 41 -9.580 5.371 3.941 1.00 0.22 H new ATOM 0 HG2 LYS A 41 -10.538 4.594 1.939 1.00 0.79 H new ATOM 0 HG3 LYS A 41 -11.580 3.445 2.753 1.00 0.79 H new ATOM 0 HD2 LYS A 41 -12.954 5.268 1.824 1.00 1.17 H new ATOM 0 HD3 LYS A 41 -13.024 5.325 3.575 1.00 1.17 H new ATOM 0 HE2 LYS A 41 -12.525 7.563 3.279 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -10.873 6.993 3.142 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -11.496 8.388 1.257 1.00 2.14 H new ATOM 0 HZ2 LYS A 41 -11.156 6.807 0.739 1.00 2.14 H new ATOM 0 HZ3 LYS A 41 -12.766 7.332 0.862 1.00 2.14 H new ATOM 642 N ASN A 42 -9.075 3.825 6.812 1.00 0.19 N ATOM 643 CA ASN A 42 -8.062 4.059 7.867 1.00 0.21 C ATOM 644 C ASN A 42 -7.272 2.771 8.089 1.00 0.18 C ATOM 645 O ASN A 42 -6.075 2.787 8.299 1.00 0.19 O ATOM 646 CB ASN A 42 -8.759 4.474 9.166 1.00 0.25 C ATOM 647 CG ASN A 42 -9.343 5.880 9.000 1.00 0.32 C ATOM 648 OD1 ASN A 42 -8.920 6.629 8.142 1.00 1.12 O ATOM 649 ND2 ASN A 42 -10.305 6.273 9.791 1.00 1.16 N ATOM 0 H ASN A 42 -10.045 3.893 7.120 1.00 0.19 H new ATOM 0 HA ASN A 42 -7.384 4.855 7.560 1.00 0.21 H new ATOM 0 HB2 ASN A 42 -9.551 3.765 9.410 1.00 0.25 H new ATOM 0 HB3 ASN A 42 -8.050 4.458 9.994 1.00 0.25 H new ATOM 0 HD21 ASN A 42 -10.700 7.208 9.688 1.00 1.16 H new ATOM 0 HD22 ASN A 42 -10.661 5.645 10.512 1.00 1.16 H new ATOM 656 N LEU A 43 -7.940 1.652 8.052 1.00 0.16 N ATOM 657 CA LEU A 43 -7.243 0.356 8.267 1.00 0.16 C ATOM 658 C LEU A 43 -6.160 0.169 7.196 1.00 0.14 C ATOM 659 O LEU A 43 -5.071 -0.285 7.481 1.00 0.17 O ATOM 660 CB LEU A 43 -8.275 -0.776 8.179 1.00 0.17 C ATOM 661 CG LEU A 43 -7.604 -2.139 8.395 1.00 0.20 C ATOM 662 CD1 LEU A 43 -6.939 -2.190 9.781 1.00 0.63 C ATOM 663 CD2 LEU A 43 -8.674 -3.233 8.301 1.00 0.63 C ATOM 0 H LEU A 43 -8.943 1.580 7.881 1.00 0.16 H new ATOM 0 HA LEU A 43 -6.768 0.343 9.248 1.00 0.16 H new ATOM 0 HB2 LEU A 43 -9.053 -0.625 8.928 1.00 0.17 H new ATOM 0 HB3 LEU A 43 -8.763 -0.755 7.204 1.00 0.17 H new ATOM 0 HG LEU A 43 -6.839 -2.293 7.634 1.00 0.20 H new ATOM 0 HD11 LEU A 43 -6.466 -3.162 9.922 1.00 0.63 H new ATOM 0 HD12 LEU A 43 -6.185 -1.406 9.852 1.00 0.63 H new ATOM 0 HD13 LEU A 43 -7.694 -2.038 10.553 1.00 0.63 H new ATOM 0 HD21 LEU A 43 -8.211 -4.208 8.453 1.00 0.63 H new ATOM 0 HD22 LEU A 43 -9.432 -3.068 9.067 1.00 0.63 H new ATOM 0 HD23 LEU A 43 -9.141 -3.202 7.316 1.00 0.63 H new ATOM 675 N ILE A 44 -6.442 0.528 5.971 1.00 0.13 N ATOM 676 CA ILE A 44 -5.413 0.378 4.901 1.00 0.13 C ATOM 677 C ILE A 44 -4.190 1.217 5.276 1.00 0.14 C ATOM 678 O ILE A 44 -3.062 0.793 5.121 1.00 0.15 O ATOM 679 CB ILE A 44 -5.995 0.858 3.561 1.00 0.16 C ATOM 680 CG1 ILE A 44 -7.073 -0.136 3.075 1.00 0.33 C ATOM 681 CG2 ILE A 44 -4.881 0.984 2.511 1.00 0.14 C ATOM 682 CD1 ILE A 44 -6.447 -1.378 2.409 1.00 0.38 C ATOM 0 H ILE A 44 -7.335 0.916 5.667 1.00 0.13 H new ATOM 0 HA ILE A 44 -5.121 -0.667 4.802 1.00 0.13 H new ATOM 0 HB ILE A 44 -6.450 1.838 3.703 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -7.688 -0.447 3.920 1.00 0.33 H new ATOM 0 HG13 ILE A 44 -7.734 0.362 2.366 1.00 0.33 H new ATOM 0 HG21 ILE A 44 -5.307 1.325 1.567 1.00 0.14 H new ATOM 0 HG22 ILE A 44 -4.137 1.703 2.854 1.00 0.14 H new ATOM 0 HG23 ILE A 44 -4.407 0.013 2.366 1.00 0.14 H new ATOM 0 HD11 ILE A 44 -7.238 -2.053 2.081 1.00 0.38 H new ATOM 0 HD12 ILE A 44 -5.853 -1.069 1.549 1.00 0.38 H new ATOM 0 HD13 ILE A 44 -5.807 -1.891 3.126 1.00 0.38 H new ATOM 694 N ASN A 45 -4.405 2.402 5.778 1.00 0.15 N ATOM 695 CA ASN A 45 -3.255 3.261 6.175 1.00 0.19 C ATOM 696 C ASN A 45 -2.438 2.541 7.250 1.00 0.20 C ATOM 697 O ASN A 45 -1.224 2.566 7.245 1.00 0.28 O ATOM 698 CB ASN A 45 -3.784 4.586 6.734 1.00 0.22 C ATOM 699 CG ASN A 45 -4.323 5.447 5.589 1.00 0.65 C ATOM 700 OD1 ASN A 45 -4.842 6.522 5.818 1.00 1.46 O ATOM 701 ND2 ASN A 45 -4.226 5.018 4.361 1.00 0.94 N ATOM 0 H ASN A 45 -5.327 2.812 5.930 1.00 0.15 H new ATOM 0 HA ASN A 45 -2.624 3.459 5.309 1.00 0.19 H new ATOM 0 HB2 ASN A 45 -4.573 4.396 7.462 1.00 0.22 H new ATOM 0 HB3 ASN A 45 -2.988 5.116 7.257 1.00 0.22 H new ATOM 0 HD21 ASN A 45 -4.586 5.585 3.593 1.00 0.94 H new ATOM 0 HD22 ASN A 45 -3.790 4.116 4.169 1.00 0.94 H new ATOM 708 N ASN A 46 -3.101 1.890 8.165 1.00 0.17 N ATOM 709 CA ASN A 46 -2.378 1.153 9.239 1.00 0.22 C ATOM 710 C ASN A 46 -1.485 0.078 8.610 1.00 0.24 C ATOM 711 O ASN A 46 -0.373 -0.152 9.044 1.00 0.27 O ATOM 712 CB ASN A 46 -3.395 0.498 10.179 1.00 0.24 C ATOM 713 CG ASN A 46 -2.661 -0.262 11.286 1.00 0.41 C ATOM 714 OD1 ASN A 46 -2.381 -1.435 11.151 1.00 1.10 O ATOM 715 ND2 ASN A 46 -2.336 0.365 12.384 1.00 1.22 N ATOM 0 H ASN A 46 -4.118 1.837 8.215 1.00 0.17 H new ATOM 0 HA ASN A 46 -1.758 1.847 9.806 1.00 0.22 H new ATOM 0 HB2 ASN A 46 -4.043 1.258 10.615 1.00 0.24 H new ATOM 0 HB3 ASN A 46 -4.035 -0.184 9.619 1.00 0.24 H new ATOM 0 HD21 ASN A 46 -1.847 -0.131 13.129 1.00 1.22 H new ATOM 0 HD22 ASN A 46 -2.572 1.351 12.497 1.00 1.22 H new ATOM 722 N ALA A 47 -1.968 -0.588 7.594 1.00 0.24 N ATOM 723 CA ALA A 47 -1.156 -1.657 6.942 1.00 0.30 C ATOM 724 C ALA A 47 0.200 -1.092 6.518 1.00 0.51 C ATOM 725 O ALA A 47 0.281 -0.060 5.882 1.00 1.49 O ATOM 726 CB ALA A 47 -1.896 -2.174 5.708 1.00 0.21 C ATOM 0 H ALA A 47 -2.891 -0.437 7.187 1.00 0.24 H new ATOM 0 HA ALA A 47 -1.002 -2.473 7.648 1.00 0.30 H new ATOM 0 HB1 ALA A 47 -1.305 -2.955 5.230 1.00 0.21 H new ATOM 0 HB2 ALA A 47 -2.862 -2.582 6.007 1.00 0.21 H new ATOM 0 HB3 ALA A 47 -2.050 -1.354 5.006 1.00 0.21 H new ATOM 732 N LYS A 48 1.269 -1.765 6.868 1.00 0.60 N ATOM 733 CA LYS A 48 2.634 -1.280 6.493 1.00 0.53 C ATOM 734 C LYS A 48 3.173 -2.094 5.311 1.00 0.42 C ATOM 735 O LYS A 48 4.272 -1.864 4.847 1.00 0.51 O ATOM 736 CB LYS A 48 3.574 -1.440 7.690 1.00 0.68 C ATOM 737 CG LYS A 48 3.407 -2.836 8.292 1.00 1.13 C ATOM 738 CD LYS A 48 4.569 -3.128 9.246 1.00 1.72 C ATOM 739 CE LYS A 48 4.510 -2.170 10.439 1.00 2.29 C ATOM 740 NZ LYS A 48 5.379 -2.685 11.534 1.00 2.97 N ATOM 0 H LYS A 48 1.254 -2.635 7.401 1.00 0.60 H new ATOM 0 HA LYS A 48 2.575 -0.230 6.207 1.00 0.53 H new ATOM 0 HB2 LYS A 48 4.607 -1.290 7.376 1.00 0.68 H new ATOM 0 HB3 LYS A 48 3.355 -0.681 8.441 1.00 0.68 H new ATOM 0 HG2 LYS A 48 2.459 -2.901 8.827 1.00 1.13 H new ATOM 0 HG3 LYS A 48 3.378 -3.584 7.499 1.00 1.13 H new ATOM 0 HD2 LYS A 48 4.517 -4.160 9.593 1.00 1.72 H new ATOM 0 HD3 LYS A 48 5.519 -3.015 8.723 1.00 1.72 H new ATOM 0 HE2 LYS A 48 4.839 -1.176 10.137 1.00 2.29 H new ATOM 0 HE3 LYS A 48 3.483 -2.073 10.791 1.00 2.29 H new ATOM 0 HZ1 LYS A 48 5.339 -2.034 12.344 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 5.046 -3.625 11.828 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 6.360 -2.755 11.195 1.00 2.97 H new ATOM 754 N THR A 49 2.411 -3.044 4.821 1.00 0.35 N ATOM 755 CA THR A 49 2.876 -3.882 3.664 1.00 0.42 C ATOM 756 C THR A 49 1.819 -3.868 2.557 1.00 0.62 C ATOM 757 O THR A 49 0.637 -3.982 2.811 1.00 1.59 O ATOM 758 CB THR A 49 3.089 -5.325 4.137 1.00 0.45 C ATOM 759 OG1 THR A 49 1.966 -5.739 4.902 1.00 0.57 O ATOM 760 CG2 THR A 49 4.356 -5.411 4.993 1.00 0.48 C ATOM 0 H THR A 49 1.483 -3.277 5.173 1.00 0.35 H new ATOM 0 HA THR A 49 3.811 -3.476 3.278 1.00 0.42 H new ATOM 0 HB THR A 49 3.201 -5.977 3.271 1.00 0.45 H new ATOM 0 HG1 THR A 49 2.098 -6.662 5.204 1.00 0.57 H new ATOM 0 HG21 THR A 49 4.501 -6.439 5.326 1.00 0.48 H new ATOM 0 HG22 THR A 49 5.216 -5.096 4.402 1.00 0.48 H new ATOM 0 HG23 THR A 49 4.254 -4.760 5.861 1.00 0.48 H new ATOM 768 N VAL A 50 2.240 -3.730 1.326 1.00 0.44 N ATOM 769 CA VAL A 50 1.263 -3.709 0.199 1.00 0.33 C ATOM 770 C VAL A 50 0.663 -5.098 -0.007 1.00 0.37 C ATOM 771 O VAL A 50 -0.467 -5.235 -0.430 1.00 0.40 O ATOM 772 CB VAL A 50 1.963 -3.265 -1.081 1.00 0.42 C ATOM 773 CG1 VAL A 50 3.111 -4.226 -1.406 1.00 0.47 C ATOM 774 CG2 VAL A 50 0.956 -3.261 -2.236 1.00 0.44 C ATOM 0 H VAL A 50 3.218 -3.631 1.054 1.00 0.44 H new ATOM 0 HA VAL A 50 0.464 -3.008 0.441 1.00 0.33 H new ATOM 0 HB VAL A 50 2.365 -2.261 -0.942 1.00 0.42 H new ATOM 0 HG11 VAL A 50 3.607 -3.904 -2.321 1.00 0.47 H new ATOM 0 HG12 VAL A 50 3.828 -4.227 -0.585 1.00 0.47 H new ATOM 0 HG13 VAL A 50 2.715 -5.232 -1.543 1.00 0.47 H new ATOM 0 HG21 VAL A 50 1.454 -2.944 -3.152 1.00 0.44 H new ATOM 0 HG22 VAL A 50 0.553 -4.265 -2.371 1.00 0.44 H new ATOM 0 HG23 VAL A 50 0.143 -2.571 -2.008 1.00 0.44 H new ATOM 784 N GLU A 51 1.401 -6.131 0.284 1.00 0.43 N ATOM 785 CA GLU A 51 0.845 -7.495 0.094 1.00 0.53 C ATOM 786 C GLU A 51 -0.392 -7.614 0.973 1.00 0.49 C ATOM 787 O GLU A 51 -1.403 -8.163 0.581 1.00 0.62 O ATOM 788 CB GLU A 51 1.885 -8.543 0.501 1.00 0.66 C ATOM 789 CG GLU A 51 1.311 -9.949 0.301 1.00 1.57 C ATOM 790 CD GLU A 51 2.355 -10.990 0.711 1.00 1.95 C ATOM 791 OE1 GLU A 51 3.490 -10.604 0.935 1.00 2.64 O ATOM 792 OE2 GLU A 51 2.001 -12.154 0.791 1.00 2.14 O ATOM 0 H GLU A 51 2.355 -6.090 0.642 1.00 0.43 H new ATOM 0 HA GLU A 51 0.586 -7.663 -0.951 1.00 0.53 H new ATOM 0 HB2 GLU A 51 2.790 -8.421 -0.095 1.00 0.66 H new ATOM 0 HB3 GLU A 51 2.169 -8.401 1.544 1.00 0.66 H new ATOM 0 HG2 GLU A 51 0.406 -10.072 0.896 1.00 1.57 H new ATOM 0 HG3 GLU A 51 1.028 -10.093 -0.742 1.00 1.57 H new ATOM 799 N GLY A 52 -0.325 -7.078 2.156 1.00 0.40 N ATOM 800 CA GLY A 52 -1.499 -7.126 3.061 1.00 0.41 C ATOM 801 C GLY A 52 -2.587 -6.211 2.501 1.00 0.31 C ATOM 802 O GLY A 52 -3.765 -6.480 2.632 1.00 0.35 O ATOM 0 H GLY A 52 0.496 -6.607 2.536 1.00 0.40 H new ATOM 0 HA2 GLY A 52 -1.870 -8.147 3.144 1.00 0.41 H new ATOM 0 HA3 GLY A 52 -1.216 -6.807 4.064 1.00 0.41 H new ATOM 806 N VAL A 53 -2.207 -5.123 1.877 1.00 0.22 N ATOM 807 CA VAL A 53 -3.233 -4.199 1.319 1.00 0.15 C ATOM 808 C VAL A 53 -4.048 -4.927 0.244 1.00 0.14 C ATOM 809 O VAL A 53 -5.260 -4.911 0.257 1.00 0.17 O ATOM 810 CB VAL A 53 -2.533 -2.987 0.695 1.00 0.14 C ATOM 811 CG1 VAL A 53 -3.545 -2.137 -0.075 1.00 0.19 C ATOM 812 CG2 VAL A 53 -1.891 -2.144 1.799 1.00 0.14 C ATOM 0 H VAL A 53 -1.238 -4.839 1.732 1.00 0.22 H new ATOM 0 HA VAL A 53 -3.900 -3.868 2.116 1.00 0.15 H new ATOM 0 HB VAL A 53 -1.763 -3.335 0.006 1.00 0.14 H new ATOM 0 HG11 VAL A 53 -3.039 -1.278 -0.515 1.00 0.19 H new ATOM 0 HG12 VAL A 53 -3.997 -2.736 -0.866 1.00 0.19 H new ATOM 0 HG13 VAL A 53 -4.322 -1.790 0.606 1.00 0.19 H new ATOM 0 HG21 VAL A 53 -1.393 -1.282 1.355 1.00 0.14 H new ATOM 0 HG22 VAL A 53 -2.661 -1.802 2.490 1.00 0.14 H new ATOM 0 HG23 VAL A 53 -1.161 -2.747 2.339 1.00 0.14 H new ATOM 822 N LYS A 54 -3.392 -5.562 -0.688 1.00 0.18 N ATOM 823 CA LYS A 54 -4.136 -6.280 -1.762 1.00 0.21 C ATOM 824 C LYS A 54 -5.008 -7.382 -1.153 1.00 0.20 C ATOM 825 O LYS A 54 -6.156 -7.546 -1.512 1.00 0.21 O ATOM 826 CB LYS A 54 -3.141 -6.890 -2.749 1.00 0.26 C ATOM 827 CG LYS A 54 -3.902 -7.607 -3.863 1.00 0.30 C ATOM 828 CD LYS A 54 -2.929 -8.001 -4.979 1.00 0.78 C ATOM 829 CE LYS A 54 -1.849 -8.936 -4.427 1.00 1.14 C ATOM 830 NZ LYS A 54 -2.455 -9.894 -3.461 1.00 1.73 N ATOM 0 H LYS A 54 -2.375 -5.615 -0.753 1.00 0.18 H new ATOM 0 HA LYS A 54 -4.780 -5.574 -2.286 1.00 0.21 H new ATOM 0 HB2 LYS A 54 -2.507 -6.110 -3.171 1.00 0.26 H new ATOM 0 HB3 LYS A 54 -2.484 -7.591 -2.233 1.00 0.26 H new ATOM 0 HG2 LYS A 54 -4.396 -8.494 -3.467 1.00 0.30 H new ATOM 0 HG3 LYS A 54 -4.683 -6.958 -4.260 1.00 0.30 H new ATOM 0 HD2 LYS A 54 -3.470 -8.494 -5.787 1.00 0.78 H new ATOM 0 HD3 LYS A 54 -2.468 -7.109 -5.402 1.00 0.78 H new ATOM 0 HE2 LYS A 54 -1.375 -9.480 -5.244 1.00 1.14 H new ATOM 0 HE3 LYS A 54 -1.069 -8.355 -3.936 1.00 1.14 H new ATOM 0 HZ1 LYS A 54 -1.854 -10.740 -3.387 1.00 1.73 H new ATOM 0 HZ2 LYS A 54 -2.534 -9.443 -2.527 1.00 1.73 H new ATOM 0 HZ3 LYS A 54 -3.401 -10.170 -3.793 1.00 1.73 H new ATOM 844 N ALA A 55 -4.472 -8.142 -0.237 1.00 0.22 N ATOM 845 CA ALA A 55 -5.273 -9.234 0.390 1.00 0.23 C ATOM 846 C ALA A 55 -6.376 -8.632 1.264 1.00 0.20 C ATOM 847 O ALA A 55 -7.491 -9.110 1.296 1.00 0.19 O ATOM 848 CB ALA A 55 -4.361 -10.112 1.250 1.00 0.30 C ATOM 0 H ALA A 55 -3.515 -8.055 0.105 1.00 0.22 H new ATOM 0 HA ALA A 55 -5.726 -9.840 -0.394 1.00 0.23 H new ATOM 0 HB1 ALA A 55 -4.948 -10.909 1.707 1.00 0.30 H new ATOM 0 HB2 ALA A 55 -3.581 -10.548 0.625 1.00 0.30 H new ATOM 0 HB3 ALA A 55 -3.903 -9.505 2.031 1.00 0.30 H new ATOM 854 N LEU A 56 -6.070 -7.584 1.973 1.00 0.20 N ATOM 855 CA LEU A 56 -7.089 -6.945 2.850 1.00 0.21 C ATOM 856 C LEU A 56 -8.262 -6.482 1.989 1.00 0.18 C ATOM 857 O LEU A 56 -9.406 -6.770 2.269 1.00 0.19 O ATOM 858 CB LEU A 56 -6.448 -5.752 3.570 1.00 0.26 C ATOM 859 CG LEU A 56 -7.491 -4.987 4.395 1.00 0.30 C ATOM 860 CD1 LEU A 56 -8.170 -5.932 5.398 1.00 0.34 C ATOM 861 CD2 LEU A 56 -6.785 -3.862 5.161 1.00 0.46 C ATOM 0 H LEU A 56 -5.152 -7.139 1.983 1.00 0.20 H new ATOM 0 HA LEU A 56 -7.453 -7.654 3.594 1.00 0.21 H new ATOM 0 HB2 LEU A 56 -5.648 -6.103 4.222 1.00 0.26 H new ATOM 0 HB3 LEU A 56 -5.994 -5.083 2.840 1.00 0.26 H new ATOM 0 HG LEU A 56 -8.248 -4.575 3.728 1.00 0.30 H new ATOM 0 HD11 LEU A 56 -8.908 -5.378 5.978 1.00 0.34 H new ATOM 0 HD12 LEU A 56 -8.664 -6.740 4.859 1.00 0.34 H new ATOM 0 HD13 LEU A 56 -7.420 -6.349 6.070 1.00 0.34 H new ATOM 0 HD21 LEU A 56 -7.516 -3.310 5.752 1.00 0.46 H new ATOM 0 HD22 LEU A 56 -6.032 -4.289 5.823 1.00 0.46 H new ATOM 0 HD23 LEU A 56 -6.305 -3.186 4.454 1.00 0.46 H new ATOM 873 N ILE A 57 -7.979 -5.776 0.933 1.00 0.16 N ATOM 874 CA ILE A 57 -9.063 -5.297 0.034 1.00 0.17 C ATOM 875 C ILE A 57 -9.719 -6.488 -0.658 1.00 0.17 C ATOM 876 O ILE A 57 -10.918 -6.521 -0.850 1.00 0.20 O ATOM 877 CB ILE A 57 -8.473 -4.373 -1.030 1.00 0.18 C ATOM 878 CG1 ILE A 57 -7.853 -3.129 -0.367 1.00 0.19 C ATOM 879 CG2 ILE A 57 -9.564 -3.953 -2.011 1.00 0.23 C ATOM 880 CD1 ILE A 57 -8.900 -2.361 0.458 1.00 0.21 C ATOM 0 H ILE A 57 -7.036 -5.508 0.652 1.00 0.16 H new ATOM 0 HA ILE A 57 -9.804 -4.758 0.624 1.00 0.17 H new ATOM 0 HB ILE A 57 -7.692 -4.908 -1.571 1.00 0.18 H new ATOM 0 HG12 ILE A 57 -7.027 -3.430 0.278 1.00 0.19 H new ATOM 0 HG13 ILE A 57 -7.437 -2.474 -1.133 1.00 0.19 H new ATOM 0 HG21 ILE A 57 -9.139 -3.294 -2.768 1.00 0.23 H new ATOM 0 HG22 ILE A 57 -9.981 -4.838 -2.493 1.00 0.23 H new ATOM 0 HG23 ILE A 57 -10.353 -3.427 -1.474 1.00 0.23 H new ATOM 0 HD11 ILE A 57 -8.434 -1.488 0.915 1.00 0.21 H new ATOM 0 HD12 ILE A 57 -9.713 -2.040 -0.194 1.00 0.21 H new ATOM 0 HD13 ILE A 57 -9.296 -3.011 1.239 1.00 0.21 H new ATOM 892 N ASP A 58 -8.945 -7.462 -1.054 1.00 0.16 N ATOM 893 CA ASP A 58 -9.548 -8.632 -1.756 1.00 0.19 C ATOM 894 C ASP A 58 -10.563 -9.301 -0.834 1.00 0.19 C ATOM 895 O ASP A 58 -11.625 -9.711 -1.258 1.00 0.22 O ATOM 896 CB ASP A 58 -8.460 -9.641 -2.120 1.00 0.21 C ATOM 897 CG ASP A 58 -7.579 -9.065 -3.229 1.00 0.50 C ATOM 898 OD1 ASP A 58 -8.029 -8.150 -3.900 1.00 1.11 O ATOM 899 OD2 ASP A 58 -6.471 -9.545 -3.385 1.00 1.17 O ATOM 0 H ASP A 58 -7.934 -7.500 -0.924 1.00 0.16 H new ATOM 0 HA ASP A 58 -10.039 -8.290 -2.667 1.00 0.19 H new ATOM 0 HB2 ASP A 58 -7.855 -9.871 -1.243 1.00 0.21 H new ATOM 0 HB3 ASP A 58 -8.912 -10.576 -2.449 1.00 0.21 H new ATOM 904 N GLU A 59 -10.254 -9.401 0.425 1.00 0.18 N ATOM 905 CA GLU A 59 -11.210 -10.026 1.370 1.00 0.21 C ATOM 906 C GLU A 59 -12.406 -9.091 1.529 1.00 0.24 C ATOM 907 O GLU A 59 -13.541 -9.517 1.587 1.00 0.30 O ATOM 908 CB GLU A 59 -10.523 -10.244 2.725 1.00 0.23 C ATOM 909 CG GLU A 59 -9.655 -11.511 2.685 1.00 0.25 C ATOM 910 CD GLU A 59 -8.753 -11.506 1.448 1.00 0.38 C ATOM 911 OE1 GLU A 59 -9.280 -11.586 0.351 1.00 0.98 O ATOM 912 OE2 GLU A 59 -7.547 -11.438 1.621 1.00 1.04 O ATOM 0 H GLU A 59 -9.380 -9.077 0.839 1.00 0.18 H new ATOM 0 HA GLU A 59 -11.545 -10.992 0.992 1.00 0.21 H new ATOM 0 HB2 GLU A 59 -9.906 -9.380 2.971 1.00 0.23 H new ATOM 0 HB3 GLU A 59 -11.273 -10.334 3.511 1.00 0.23 H new ATOM 0 HG2 GLU A 59 -9.045 -11.569 3.586 1.00 0.25 H new ATOM 0 HG3 GLU A 59 -10.292 -12.395 2.674 1.00 0.25 H new ATOM 919 N ILE A 60 -12.153 -7.811 1.594 1.00 0.23 N ATOM 920 CA ILE A 60 -13.270 -6.842 1.746 1.00 0.27 C ATOM 921 C ILE A 60 -14.090 -6.783 0.452 1.00 0.28 C ATOM 922 O ILE A 60 -15.304 -6.751 0.481 1.00 0.33 O ATOM 923 CB ILE A 60 -12.706 -5.458 2.059 1.00 0.28 C ATOM 924 CG1 ILE A 60 -12.002 -5.495 3.417 1.00 0.29 C ATOM 925 CG2 ILE A 60 -13.846 -4.441 2.107 1.00 0.33 C ATOM 926 CD1 ILE A 60 -11.156 -4.232 3.588 1.00 0.27 C ATOM 0 H ILE A 60 -11.222 -7.398 1.548 1.00 0.23 H new ATOM 0 HA ILE A 60 -13.916 -7.165 2.563 1.00 0.27 H new ATOM 0 HB ILE A 60 -11.995 -5.170 1.284 1.00 0.28 H new ATOM 0 HG12 ILE A 60 -12.738 -5.564 4.218 1.00 0.29 H new ATOM 0 HG13 ILE A 60 -11.371 -6.381 3.487 1.00 0.29 H new ATOM 0 HG21 ILE A 60 -13.443 -3.453 2.330 1.00 0.33 H new ATOM 0 HG22 ILE A 60 -14.353 -4.417 1.142 1.00 0.33 H new ATOM 0 HG23 ILE A 60 -14.556 -4.727 2.883 1.00 0.33 H new ATOM 0 HD11 ILE A 60 -10.654 -4.258 4.555 1.00 0.27 H new ATOM 0 HD12 ILE A 60 -10.411 -4.183 2.794 1.00 0.27 H new ATOM 0 HD13 ILE A 60 -11.799 -3.354 3.537 1.00 0.27 H new ATOM 938 N LEU A 61 -13.440 -6.776 -0.683 1.00 0.25 N ATOM 939 CA LEU A 61 -14.195 -6.726 -1.968 1.00 0.30 C ATOM 940 C LEU A 61 -15.076 -7.972 -2.086 1.00 0.33 C ATOM 941 O LEU A 61 -16.202 -7.906 -2.537 1.00 0.46 O ATOM 942 CB LEU A 61 -13.223 -6.653 -3.160 1.00 0.29 C ATOM 943 CG LEU A 61 -12.677 -5.226 -3.338 1.00 0.32 C ATOM 944 CD1 LEU A 61 -11.626 -5.243 -4.456 1.00 1.15 C ATOM 945 CD2 LEU A 61 -13.815 -4.248 -3.713 1.00 1.27 C ATOM 0 H LEU A 61 -12.424 -6.803 -0.775 1.00 0.25 H new ATOM 0 HA LEU A 61 -14.821 -5.834 -1.980 1.00 0.30 H new ATOM 0 HB2 LEU A 61 -12.396 -7.346 -3.003 1.00 0.29 H new ATOM 0 HB3 LEU A 61 -13.734 -6.967 -4.070 1.00 0.29 H new ATOM 0 HG LEU A 61 -12.232 -4.890 -2.401 1.00 0.32 H new ATOM 0 HD11 LEU A 61 -11.228 -4.238 -4.596 1.00 1.15 H new ATOM 0 HD12 LEU A 61 -10.816 -5.920 -4.184 1.00 1.15 H new ATOM 0 HD13 LEU A 61 -12.087 -5.583 -5.383 1.00 1.15 H new ATOM 0 HD21 LEU A 61 -13.407 -3.244 -3.834 1.00 1.27 H new ATOM 0 HD22 LEU A 61 -14.276 -4.568 -4.648 1.00 1.27 H new ATOM 0 HD23 LEU A 61 -14.565 -4.242 -2.922 1.00 1.27 H new ATOM 957 N ALA A 62 -14.577 -9.108 -1.685 1.00 0.28 N ATOM 958 CA ALA A 62 -15.394 -10.351 -1.775 1.00 0.32 C ATOM 959 C ALA A 62 -16.690 -10.163 -0.985 1.00 0.37 C ATOM 960 O ALA A 62 -17.667 -10.854 -1.200 1.00 0.48 O ATOM 961 CB ALA A 62 -14.605 -11.525 -1.189 1.00 0.31 C ATOM 0 H ALA A 62 -13.641 -9.230 -1.299 1.00 0.28 H new ATOM 0 HA ALA A 62 -15.629 -10.558 -2.819 1.00 0.32 H new ATOM 0 HB1 ALA A 62 -15.203 -12.434 -1.255 1.00 0.31 H new ATOM 0 HB2 ALA A 62 -13.680 -11.658 -1.750 1.00 0.31 H new ATOM 0 HB3 ALA A 62 -14.370 -11.320 -0.145 1.00 0.31 H new ATOM 967 N ALA A 63 -16.708 -9.232 -0.068 1.00 0.41 N ATOM 968 CA ALA A 63 -17.940 -8.995 0.741 1.00 0.50 C ATOM 969 C ALA A 63 -18.866 -8.031 -0.005 1.00 0.70 C ATOM 970 O ALA A 63 -19.960 -7.742 0.438 1.00 1.15 O ATOM 971 CB ALA A 63 -17.551 -8.385 2.089 1.00 0.72 C ATOM 0 H ALA A 63 -15.920 -8.624 0.156 1.00 0.41 H new ATOM 0 HA ALA A 63 -18.456 -9.941 0.902 1.00 0.50 H new ATOM 0 HB1 ALA A 63 -18.449 -8.211 2.682 1.00 0.72 H new ATOM 0 HB2 ALA A 63 -16.891 -9.070 2.622 1.00 0.72 H new ATOM 0 HB3 ALA A 63 -17.035 -7.439 1.925 1.00 0.72 H new ATOM 977 N LEU A 64 -18.433 -7.533 -1.137 1.00 0.59 N ATOM 978 CA LEU A 64 -19.275 -6.581 -1.934 1.00 0.85 C ATOM 979 C LEU A 64 -19.337 -7.053 -3.394 1.00 1.41 C ATOM 980 O LEU A 64 -18.666 -6.508 -4.248 1.00 1.62 O ATOM 981 CB LEU A 64 -18.634 -5.188 -1.885 1.00 0.65 C ATOM 982 CG LEU A 64 -18.691 -4.629 -0.448 1.00 0.53 C ATOM 983 CD1 LEU A 64 -17.579 -3.593 -0.251 1.00 0.68 C ATOM 984 CD2 LEU A 64 -20.047 -3.956 -0.192 1.00 0.84 C ATOM 0 H LEU A 64 -17.524 -7.746 -1.548 1.00 0.59 H new ATOM 0 HA LEU A 64 -20.282 -6.545 -1.518 1.00 0.85 H new ATOM 0 HB2 LEU A 64 -17.599 -5.243 -2.221 1.00 0.65 H new ATOM 0 HB3 LEU A 64 -19.155 -4.515 -2.566 1.00 0.65 H new ATOM 0 HG LEU A 64 -18.558 -5.455 0.251 1.00 0.53 H new ATOM 0 HD11 LEU A 64 -17.623 -3.201 0.765 1.00 0.68 H new ATOM 0 HD12 LEU A 64 -16.610 -4.063 -0.417 1.00 0.68 H new ATOM 0 HD13 LEU A 64 -17.712 -2.777 -0.961 1.00 0.68 H new ATOM 0 HD21 LEU A 64 -20.073 -3.566 0.826 1.00 0.84 H new ATOM 0 HD22 LEU A 64 -20.186 -3.137 -0.898 1.00 0.84 H new ATOM 0 HD23 LEU A 64 -20.846 -4.686 -0.322 1.00 0.84 H new ATOM 996 N PRO A 65 -20.130 -8.060 -3.690 1.00 1.85 N ATOM 997 CA PRO A 65 -20.234 -8.569 -5.086 1.00 2.43 C ATOM 998 C PRO A 65 -21.025 -7.611 -5.989 1.00 2.62 C ATOM 999 O PRO A 65 -20.396 -6.836 -6.692 1.00 2.81 O ATOM 1000 CB PRO A 65 -20.972 -9.909 -4.893 1.00 2.89 C ATOM 1001 CG PRO A 65 -21.543 -9.948 -3.461 1.00 2.69 C ATOM 1002 CD PRO A 65 -20.968 -8.755 -2.671 1.00 2.01 C ATOM 1003 OXT PRO A 65 -22.242 -7.672 -5.963 1.00 3.05 O ATOM 0 HA PRO A 65 -19.269 -8.670 -5.582 1.00 2.43 H new ATOM 0 HB2 PRO A 65 -21.774 -10.009 -5.624 1.00 2.89 H new ATOM 0 HB3 PRO A 65 -20.290 -10.744 -5.052 1.00 2.89 H new ATOM 0 HG2 PRO A 65 -22.631 -9.896 -3.486 1.00 2.69 H new ATOM 0 HG3 PRO A 65 -21.280 -10.887 -2.974 1.00 2.69 H new ATOM 0 HD2 PRO A 65 -21.756 -8.108 -2.285 1.00 2.01 H new ATOM 0 HD3 PRO A 65 -20.377 -9.083 -1.816 1.00 2.01 H new TER 1011 PRO A 65