USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=10 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.134 (180deg=-0.994) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.691 K(o=-0.69,f=-2.5!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 11 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-3!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= 1.01 (180deg=0.486) USER MOD Single : A 28 ASN : amide:sc= -2.63 K(o=-2.6,f=-5!) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc=-0.00445 (180deg=-0.269) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -87:sc= 1.6 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 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.0398 K(o=-0.04,f=-2!) USER MOD Single : A 46 ASN : amide:sc= -4.07! C(o=-4.1!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.292 4.415 -8.049 1.00 21.30 N ATOM 2 CA MET A 1 31.483 3.298 -7.082 1.00 21.02 C ATOM 3 C MET A 1 30.796 2.040 -7.622 1.00 20.37 C ATOM 4 O MET A 1 29.586 1.934 -7.614 1.00 20.39 O ATOM 5 CB MET A 1 30.860 3.676 -5.737 1.00 21.44 C ATOM 6 CG MET A 1 31.533 4.939 -5.197 1.00 21.88 C ATOM 7 SD MET A 1 33.236 4.558 -4.713 1.00 22.37 S ATOM 8 CE MET A 1 33.970 6.149 -5.171 1.00 22.77 C ATOM 0 H1 MET A 1 32.069 5.099 -7.947 1.00 21.30 H new ATOM 0 H2 MET A 1 31.288 4.038 -9.018 1.00 21.30 H new ATOM 0 H3 MET A 1 30.386 4.889 -7.858 1.00 21.30 H new ATOM 0 HA MET A 1 32.548 3.108 -6.949 1.00 21.02 H new ATOM 0 HB2 MET A 1 29.790 3.844 -5.855 1.00 21.44 H new ATOM 0 HB3 MET A 1 30.978 2.857 -5.027 1.00 21.44 H new ATOM 0 HG2 MET A 1 31.526 5.721 -5.957 1.00 21.88 H new ATOM 0 HG3 MET A 1 30.978 5.322 -4.341 1.00 21.88 H new ATOM 0 HE1 MET A 1 35.038 6.133 -4.952 1.00 22.77 H new ATOM 0 HE2 MET A 1 33.820 6.326 -6.236 1.00 22.77 H new ATOM 0 HE3 MET A 1 33.494 6.947 -4.601 1.00 22.77 H new ATOM 20 N LYS A 2 31.554 1.089 -8.094 1.00 19.90 N ATOM 21 CA LYS A 2 30.934 -0.154 -8.635 1.00 19.38 C ATOM 22 C LYS A 2 30.118 -0.842 -7.537 1.00 18.83 C ATOM 23 O LYS A 2 29.037 -1.341 -7.774 1.00 18.89 O ATOM 24 CB LYS A 2 32.031 -1.099 -9.131 1.00 19.49 C ATOM 25 CG LYS A 2 31.394 -2.375 -9.687 1.00 19.58 C ATOM 26 CD LYS A 2 32.451 -3.204 -10.423 1.00 19.81 C ATOM 27 CE LYS A 2 33.512 -3.697 -9.434 1.00 19.99 C ATOM 28 NZ LYS A 2 34.276 -4.821 -10.045 1.00 20.19 N ATOM 0 H LYS A 2 32.573 1.118 -8.129 1.00 19.90 H new ATOM 0 HA LYS A 2 30.275 0.102 -9.465 1.00 19.38 H new ATOM 0 HB2 LYS A 2 32.625 -0.610 -9.903 1.00 19.49 H new ATOM 0 HB3 LYS A 2 32.710 -1.345 -8.315 1.00 19.49 H new ATOM 0 HG2 LYS A 2 30.960 -2.959 -8.875 1.00 19.58 H new ATOM 0 HG3 LYS A 2 30.581 -2.120 -10.366 1.00 19.58 H new ATOM 0 HD2 LYS A 2 31.980 -4.054 -10.917 1.00 19.81 H new ATOM 0 HD3 LYS A 2 32.920 -2.602 -11.202 1.00 19.81 H new ATOM 0 HE2 LYS A 2 34.188 -2.883 -9.174 1.00 19.99 H new ATOM 0 HE3 LYS A 2 33.038 -4.026 -8.509 1.00 19.99 H new ATOM 0 HZ1 LYS A 2 34.997 -5.156 -9.374 1.00 20.19 H new ATOM 0 HZ2 LYS A 2 33.625 -5.600 -10.272 1.00 20.19 H new ATOM 0 HZ3 LYS A 2 34.740 -4.492 -10.916 1.00 20.19 H new ATOM 42 N ALA A 3 30.626 -0.868 -6.335 1.00 18.43 N ATOM 43 CA ALA A 3 29.875 -1.519 -5.225 1.00 18.03 C ATOM 44 C ALA A 3 30.406 -1.007 -3.885 1.00 17.59 C ATOM 45 O ALA A 3 31.517 -0.523 -3.792 1.00 17.73 O ATOM 46 CB ALA A 3 30.066 -3.035 -5.303 1.00 18.23 C ATOM 0 H ALA A 3 31.527 -0.467 -6.074 1.00 18.43 H new ATOM 0 HA ALA A 3 28.815 -1.281 -5.312 1.00 18.03 H new ATOM 0 HB1 ALA A 3 29.517 -3.513 -4.492 1.00 18.23 H new ATOM 0 HB2 ALA A 3 29.691 -3.400 -6.259 1.00 18.23 H new ATOM 0 HB3 ALA A 3 31.126 -3.273 -5.214 1.00 18.23 H new ATOM 52 N ILE A 4 29.626 -1.114 -2.842 1.00 17.22 N ATOM 53 CA ILE A 4 30.094 -0.638 -1.505 1.00 16.95 C ATOM 54 C ILE A 4 29.429 -1.473 -0.407 1.00 16.44 C ATOM 55 O ILE A 4 28.324 -1.953 -0.562 1.00 16.48 O ATOM 56 CB ILE A 4 29.744 0.845 -1.343 1.00 17.23 C ATOM 57 CG1 ILE A 4 30.123 1.307 0.068 1.00 17.55 C ATOM 58 CG2 ILE A 4 28.246 1.062 -1.568 1.00 17.35 C ATOM 59 CD1 ILE A 4 30.127 2.838 0.138 1.00 17.72 C ATOM 0 H ILE A 4 28.686 -1.510 -2.857 1.00 17.22 H new ATOM 0 HA ILE A 4 31.175 -0.753 -1.425 1.00 16.95 H new ATOM 0 HB ILE A 4 30.300 1.424 -2.081 1.00 17.23 H new ATOM 0 HG12 ILE A 4 29.416 0.904 0.793 1.00 17.55 H new ATOM 0 HG13 ILE A 4 31.107 0.921 0.334 1.00 17.55 H new ATOM 0 HG21 ILE A 4 28.010 2.120 -1.450 1.00 17.35 H new ATOM 0 HG22 ILE A 4 27.979 0.741 -2.575 1.00 17.35 H new ATOM 0 HG23 ILE A 4 27.681 0.481 -0.840 1.00 17.35 H new ATOM 0 HD11 ILE A 4 30.398 3.155 1.145 1.00 17.72 H new ATOM 0 HD12 ILE A 4 30.852 3.233 -0.574 1.00 17.72 H new ATOM 0 HD13 ILE A 4 29.134 3.216 -0.107 1.00 17.72 H new ATOM 71 N PHE A 5 30.099 -1.662 0.697 1.00 16.11 N ATOM 72 CA PHE A 5 29.507 -2.476 1.798 1.00 15.78 C ATOM 73 C PHE A 5 28.201 -1.837 2.276 1.00 15.39 C ATOM 74 O PHE A 5 27.233 -2.517 2.553 1.00 15.53 O ATOM 75 CB PHE A 5 30.501 -2.545 2.962 1.00 15.91 C ATOM 76 CG PHE A 5 31.595 -3.536 2.634 1.00 16.27 C ATOM 77 CD1 PHE A 5 31.440 -4.883 2.975 1.00 16.55 C ATOM 78 CD2 PHE A 5 32.760 -3.105 1.989 1.00 16.49 C ATOM 79 CE1 PHE A 5 32.450 -5.802 2.670 1.00 17.03 C ATOM 80 CE2 PHE A 5 33.772 -4.025 1.685 1.00 16.98 C ATOM 81 CZ PHE A 5 33.616 -5.374 2.026 1.00 17.24 C ATOM 0 H PHE A 5 31.030 -1.289 0.885 1.00 16.11 H new ATOM 0 HA PHE A 5 29.297 -3.481 1.432 1.00 15.78 H new ATOM 0 HB2 PHE A 5 30.931 -1.560 3.146 1.00 15.91 H new ATOM 0 HB3 PHE A 5 29.987 -2.844 3.876 1.00 15.91 H new ATOM 0 HD1 PHE A 5 30.541 -5.214 3.474 1.00 16.55 H new ATOM 0 HD2 PHE A 5 32.879 -2.064 1.726 1.00 16.49 H new ATOM 0 HE1 PHE A 5 32.329 -6.843 2.932 1.00 17.03 H new ATOM 0 HE2 PHE A 5 34.672 -3.694 1.188 1.00 16.98 H new ATOM 0 HZ PHE A 5 34.395 -6.084 1.792 1.00 17.24 H new ATOM 91 N VAL A 6 28.167 -0.533 2.372 1.00 15.04 N ATOM 92 CA VAL A 6 26.926 0.166 2.832 1.00 14.79 C ATOM 93 C VAL A 6 26.211 0.780 1.623 1.00 14.55 C ATOM 94 O VAL A 6 26.796 1.508 0.846 1.00 14.58 O ATOM 95 CB VAL A 6 27.308 1.271 3.827 1.00 14.86 C ATOM 96 CG1 VAL A 6 27.645 0.641 5.181 1.00 15.09 C ATOM 97 CG2 VAL A 6 28.534 2.035 3.315 1.00 15.03 C ATOM 0 H VAL A 6 28.949 0.083 2.151 1.00 15.04 H new ATOM 0 HA VAL A 6 26.260 -0.546 3.320 1.00 14.79 H new ATOM 0 HB VAL A 6 26.469 1.959 3.933 1.00 14.86 H new ATOM 0 HG11 VAL A 6 27.917 1.424 5.889 1.00 15.09 H new ATOM 0 HG12 VAL A 6 26.777 0.098 5.556 1.00 15.09 H new ATOM 0 HG13 VAL A 6 28.481 -0.048 5.064 1.00 15.09 H new ATOM 0 HG21 VAL A 6 28.799 2.817 4.027 1.00 15.03 H new ATOM 0 HG22 VAL A 6 29.372 1.346 3.204 1.00 15.03 H new ATOM 0 HG23 VAL A 6 28.305 2.485 2.349 1.00 15.03 H new ATOM 107 N LEU A 7 24.945 0.482 1.458 1.00 14.47 N ATOM 108 CA LEU A 7 24.169 1.033 0.300 1.00 14.40 C ATOM 109 C LEU A 7 23.212 2.112 0.816 1.00 13.90 C ATOM 110 O LEU A 7 22.310 1.833 1.582 1.00 13.91 O ATOM 111 CB LEU A 7 23.365 -0.111 -0.341 1.00 14.97 C ATOM 112 CG LEU A 7 22.798 0.308 -1.716 1.00 15.35 C ATOM 113 CD1 LEU A 7 22.453 -0.947 -2.528 1.00 15.68 C ATOM 114 CD2 LEU A 7 21.528 1.166 -1.547 1.00 15.83 C ATOM 0 H LEU A 7 24.411 -0.124 2.081 1.00 14.47 H new ATOM 0 HA LEU A 7 24.841 1.468 -0.440 1.00 14.40 H new ATOM 0 HB2 LEU A 7 24.004 -0.986 -0.459 1.00 14.97 H new ATOM 0 HB3 LEU A 7 22.548 -0.400 0.320 1.00 14.97 H new ATOM 0 HG LEU A 7 23.553 0.898 -2.236 1.00 15.35 H new ATOM 0 HD11 LEU A 7 22.053 -0.654 -3.499 1.00 15.68 H new ATOM 0 HD12 LEU A 7 23.352 -1.546 -2.672 1.00 15.68 H new ATOM 0 HD13 LEU A 7 21.708 -1.535 -1.991 1.00 15.68 H new ATOM 0 HD21 LEU A 7 21.147 1.449 -2.528 1.00 15.83 H new ATOM 0 HD22 LEU A 7 20.769 0.592 -1.015 1.00 15.83 H new ATOM 0 HD23 LEU A 7 21.769 2.064 -0.978 1.00 15.83 H new ATOM 126 N ASN A 8 23.402 3.343 0.400 1.00 13.63 N ATOM 127 CA ASN A 8 22.508 4.458 0.859 1.00 13.29 C ATOM 128 C ASN A 8 21.723 5.006 -0.333 1.00 12.82 C ATOM 129 O ASN A 8 20.844 5.832 -0.181 1.00 12.84 O ATOM 130 CB ASN A 8 23.360 5.578 1.460 1.00 13.45 C ATOM 131 CG ASN A 8 24.275 6.162 0.383 1.00 13.72 C ATOM 132 OD1 ASN A 8 23.817 6.824 -0.527 1.00 13.79 O ATOM 133 ND2 ASN A 8 25.561 5.950 0.452 1.00 14.06 N ATOM 0 H ASN A 8 24.143 3.626 -0.242 1.00 13.63 H new ATOM 0 HA ASN A 8 21.815 4.081 1.611 1.00 13.29 H new ATOM 0 HB2 ASN A 8 22.717 6.358 1.868 1.00 13.45 H new ATOM 0 HB3 ASN A 8 23.956 5.191 2.287 1.00 13.45 H new ATOM 0 HD21 ASN A 8 26.181 6.340 -0.258 1.00 14.06 H new ATOM 0 HD22 ASN A 8 25.946 5.394 1.216 1.00 14.06 H new ATOM 140 N ALA A 9 22.031 4.544 -1.518 1.00 12.57 N ATOM 141 CA ALA A 9 21.311 5.014 -2.744 1.00 12.28 C ATOM 142 C ALA A 9 20.652 3.814 -3.424 1.00 11.84 C ATOM 143 O ALA A 9 21.318 2.960 -3.974 1.00 12.04 O ATOM 144 CB ALA A 9 22.316 5.657 -3.701 1.00 12.50 C ATOM 0 H ALA A 9 22.760 3.852 -1.692 1.00 12.57 H new ATOM 0 HA ALA A 9 20.549 5.745 -2.473 1.00 12.28 H new ATOM 0 HB1 ALA A 9 21.797 6.001 -4.596 1.00 12.50 H new ATOM 0 HB2 ALA A 9 22.795 6.504 -3.210 1.00 12.50 H new ATOM 0 HB3 ALA A 9 23.073 4.924 -3.980 1.00 12.50 H new ATOM 150 N GLN A 10 19.344 3.742 -3.385 1.00 11.42 N ATOM 151 CA GLN A 10 18.616 2.597 -4.021 1.00 11.16 C ATOM 152 C GLN A 10 17.830 3.108 -5.233 1.00 10.55 C ATOM 153 O GLN A 10 17.063 4.045 -5.134 1.00 10.61 O ATOM 154 CB GLN A 10 17.644 1.998 -2.995 1.00 11.48 C ATOM 155 CG GLN A 10 16.883 0.820 -3.614 1.00 11.97 C ATOM 156 CD GLN A 10 15.920 0.235 -2.579 1.00 12.47 C ATOM 157 OE1 GLN A 10 15.222 0.963 -1.901 1.00 12.70 O ATOM 158 NE2 GLN A 10 15.854 -1.059 -2.427 1.00 12.83 N ATOM 0 H GLN A 10 18.743 4.433 -2.936 1.00 11.42 H new ATOM 0 HA GLN A 10 19.326 1.836 -4.346 1.00 11.16 H new ATOM 0 HB2 GLN A 10 18.193 1.664 -2.115 1.00 11.48 H new ATOM 0 HB3 GLN A 10 16.940 2.760 -2.661 1.00 11.48 H new ATOM 0 HG2 GLN A 10 16.331 1.152 -4.494 1.00 11.97 H new ATOM 0 HG3 GLN A 10 17.584 0.055 -3.947 1.00 11.97 H new ATOM 0 HE21 GLN A 10 16.440 -1.670 -2.996 1.00 12.83 H new ATOM 0 HE22 GLN A 10 15.216 -1.460 -1.739 1.00 12.83 H new ATOM 167 N HIS A 11 18.013 2.495 -6.376 1.00 10.17 N ATOM 168 CA HIS A 11 17.274 2.935 -7.602 1.00 9.77 C ATOM 169 C HIS A 11 16.836 1.704 -8.401 1.00 9.16 C ATOM 170 O HIS A 11 16.386 1.810 -9.525 1.00 9.25 O ATOM 171 CB HIS A 11 18.192 3.803 -8.466 1.00 10.00 C ATOM 172 CG HIS A 11 17.387 4.448 -9.561 1.00 10.27 C ATOM 173 ND1 HIS A 11 17.222 3.856 -10.805 1.00 10.64 N ATOM 174 CD2 HIS A 11 16.692 5.631 -9.614 1.00 10.49 C ATOM 175 CE1 HIS A 11 16.455 4.677 -11.545 1.00 11.05 C ATOM 176 NE2 HIS A 11 16.104 5.774 -10.868 1.00 10.99 N ATOM 0 H HIS A 11 18.644 1.706 -6.514 1.00 10.17 H new ATOM 0 HA HIS A 11 16.396 3.512 -7.311 1.00 9.77 H new ATOM 0 HB2 HIS A 11 18.670 4.567 -7.853 1.00 10.00 H new ATOM 0 HB3 HIS A 11 18.988 3.194 -8.895 1.00 10.00 H new ATOM 0 HD1 HIS A 11 17.611 2.962 -11.104 1.00 10.64 H new ATOM 0 HD2 HIS A 11 16.613 6.343 -8.806 1.00 10.49 H new ATOM 0 HE1 HIS A 11 16.159 4.474 -12.563 1.00 11.05 H new ATOM 184 N ASP A 12 16.966 0.536 -7.831 1.00 8.78 N ATOM 185 CA ASP A 12 16.561 -0.700 -8.561 1.00 8.41 C ATOM 186 C ASP A 12 15.069 -0.636 -8.900 1.00 7.70 C ATOM 187 O ASP A 12 14.650 -1.029 -9.971 1.00 7.84 O ATOM 188 CB ASP A 12 16.834 -1.925 -7.682 1.00 8.97 C ATOM 189 CG ASP A 12 15.999 -1.838 -6.403 1.00 9.57 C ATOM 190 OD1 ASP A 12 16.174 -0.881 -5.668 1.00 9.72 O ATOM 191 OD2 ASP A 12 15.204 -2.736 -6.176 1.00 10.08 O ATOM 0 H ASP A 12 17.335 0.384 -6.892 1.00 8.78 H new ATOM 0 HA ASP A 12 17.136 -0.778 -9.484 1.00 8.41 H new ATOM 0 HB2 ASP A 12 16.589 -2.837 -8.226 1.00 8.97 H new ATOM 0 HB3 ASP A 12 17.894 -1.977 -7.433 1.00 8.97 H new ATOM 196 N GLU A 13 14.263 -0.146 -7.999 1.00 7.20 N ATOM 197 CA GLU A 13 12.801 -0.061 -8.276 1.00 6.75 C ATOM 198 C GLU A 13 12.138 0.798 -7.199 1.00 5.96 C ATOM 199 O GLU A 13 11.397 1.716 -7.491 1.00 6.13 O ATOM 200 CB GLU A 13 12.201 -1.471 -8.250 1.00 7.22 C ATOM 201 CG GLU A 13 10.734 -1.426 -8.693 1.00 7.84 C ATOM 202 CD GLU A 13 10.651 -1.015 -10.165 1.00 8.59 C ATOM 203 OE1 GLU A 13 11.649 -1.147 -10.853 1.00 8.85 O ATOM 204 OE2 GLU A 13 9.590 -0.578 -10.578 1.00 9.12 O ATOM 0 H GLU A 13 14.553 0.199 -7.084 1.00 7.20 H new ATOM 0 HA GLU A 13 12.633 0.387 -9.255 1.00 6.75 H new ATOM 0 HB2 GLU A 13 12.768 -2.128 -8.909 1.00 7.22 H new ATOM 0 HB3 GLU A 13 12.273 -1.887 -7.245 1.00 7.22 H new ATOM 0 HG2 GLU A 13 10.271 -2.403 -8.552 1.00 7.84 H new ATOM 0 HG3 GLU A 13 10.180 -0.719 -8.076 1.00 7.84 H new ATOM 211 N ALA A 14 12.403 0.508 -5.954 1.00 5.44 N ATOM 212 CA ALA A 14 11.791 1.305 -4.853 1.00 4.96 C ATOM 213 C ALA A 14 12.628 2.560 -4.607 1.00 4.30 C ATOM 214 O ALA A 14 13.401 2.631 -3.671 1.00 4.43 O ATOM 215 CB ALA A 14 11.749 0.467 -3.575 1.00 5.39 C ATOM 0 H ALA A 14 13.018 -0.248 -5.652 1.00 5.44 H new ATOM 0 HA ALA A 14 10.777 1.590 -5.134 1.00 4.96 H new ATOM 0 HB1 ALA A 14 11.301 1.051 -2.771 1.00 5.39 H new ATOM 0 HB2 ALA A 14 11.153 -0.429 -3.747 1.00 5.39 H new ATOM 0 HB3 ALA A 14 12.763 0.181 -3.294 1.00 5.39 H new ATOM 221 N VAL A 15 12.480 3.551 -5.439 1.00 4.01 N ATOM 222 CA VAL A 15 13.261 4.802 -5.255 1.00 3.71 C ATOM 223 C VAL A 15 12.857 5.452 -3.921 1.00 3.13 C ATOM 224 O VAL A 15 13.691 5.878 -3.148 1.00 3.40 O ATOM 225 CB VAL A 15 12.956 5.753 -6.416 1.00 4.37 C ATOM 226 CG1 VAL A 15 13.558 7.130 -6.133 1.00 5.04 C ATOM 227 CG2 VAL A 15 13.551 5.191 -7.712 1.00 4.89 C ATOM 0 H VAL A 15 11.850 3.548 -6.241 1.00 4.01 H new ATOM 0 HA VAL A 15 14.329 4.584 -5.239 1.00 3.71 H new ATOM 0 HB VAL A 15 11.876 5.849 -6.524 1.00 4.37 H new ATOM 0 HG11 VAL A 15 13.337 7.801 -6.963 1.00 5.04 H new ATOM 0 HG12 VAL A 15 13.129 7.533 -5.216 1.00 5.04 H new ATOM 0 HG13 VAL A 15 14.638 7.038 -6.018 1.00 5.04 H new ATOM 0 HG21 VAL A 15 13.333 5.869 -8.537 1.00 4.89 H new ATOM 0 HG22 VAL A 15 14.631 5.089 -7.602 1.00 4.89 H new ATOM 0 HG23 VAL A 15 13.113 4.215 -7.920 1.00 4.89 H new ATOM 237 N ASP A 16 11.576 5.522 -3.646 1.00 2.67 N ATOM 238 CA ASP A 16 11.096 6.134 -2.364 1.00 2.25 C ATOM 239 C ASP A 16 9.907 5.329 -1.825 1.00 2.00 C ATOM 240 O ASP A 16 9.282 4.574 -2.543 1.00 2.47 O ATOM 241 CB ASP A 16 10.642 7.572 -2.618 1.00 2.31 C ATOM 242 CG ASP A 16 11.854 8.455 -2.921 1.00 2.96 C ATOM 243 OD1 ASP A 16 12.945 8.092 -2.515 1.00 3.42 O ATOM 244 OD2 ASP A 16 11.667 9.484 -3.550 1.00 3.45 O ATOM 0 H ASP A 16 10.836 5.179 -4.259 1.00 2.67 H new ATOM 0 HA ASP A 16 11.910 6.126 -1.639 1.00 2.25 H new ATOM 0 HB2 ASP A 16 9.943 7.600 -3.454 1.00 2.31 H new ATOM 0 HB3 ASP A 16 10.111 7.954 -1.746 1.00 2.31 H new ATOM 249 N ALA A 17 9.581 5.491 -0.567 1.00 1.74 N ATOM 250 CA ALA A 17 8.425 4.741 0.007 1.00 1.64 C ATOM 251 C ALA A 17 7.124 5.288 -0.591 1.00 1.34 C ATOM 252 O ALA A 17 6.043 4.824 -0.284 1.00 1.86 O ATOM 253 CB ALA A 17 8.410 4.905 1.536 1.00 2.03 C ATOM 0 H ALA A 17 10.065 6.109 0.085 1.00 1.74 H new ATOM 0 HA ALA A 17 8.517 3.682 -0.234 1.00 1.64 H new ATOM 0 HB1 ALA A 17 7.565 4.357 1.952 1.00 2.03 H new ATOM 0 HB2 ALA A 17 9.338 4.514 1.953 1.00 2.03 H new ATOM 0 HB3 ALA A 17 8.316 5.961 1.788 1.00 2.03 H new ATOM 259 N ASN A 18 7.225 6.276 -1.441 1.00 0.95 N ATOM 260 CA ASN A 18 6.001 6.862 -2.059 1.00 0.77 C ATOM 261 C ASN A 18 5.251 5.784 -2.847 1.00 0.65 C ATOM 262 O ASN A 18 4.037 5.724 -2.828 1.00 1.18 O ATOM 263 CB ASN A 18 6.396 7.993 -3.016 1.00 0.93 C ATOM 264 CG ASN A 18 5.135 8.598 -3.641 1.00 1.47 C ATOM 265 OD1 ASN A 18 4.230 9.003 -2.939 1.00 2.24 O ATOM 266 ND2 ASN A 18 5.037 8.678 -4.941 1.00 1.85 N ATOM 0 H ASN A 18 8.104 6.702 -1.734 1.00 0.95 H new ATOM 0 HA ASN A 18 5.359 7.254 -1.270 1.00 0.77 H new ATOM 0 HB2 ASN A 18 6.952 8.761 -2.478 1.00 0.93 H new ATOM 0 HB3 ASN A 18 7.054 7.610 -3.796 1.00 0.93 H new ATOM 0 HD21 ASN A 18 4.201 9.080 -5.366 1.00 1.85 H new ATOM 0 HD22 ASN A 18 5.796 8.338 -5.532 1.00 1.85 H new ATOM 273 N SER A 19 5.958 4.937 -3.547 1.00 0.49 N ATOM 274 CA SER A 19 5.268 3.875 -4.337 1.00 0.33 C ATOM 275 C SER A 19 4.449 2.986 -3.400 1.00 0.29 C ATOM 276 O SER A 19 3.301 2.686 -3.660 1.00 0.28 O ATOM 277 CB SER A 19 6.299 3.021 -5.076 1.00 0.41 C ATOM 278 OG SER A 19 5.620 2.028 -5.835 1.00 0.80 O ATOM 0 H SER A 19 6.976 4.934 -3.606 1.00 0.49 H new ATOM 0 HA SER A 19 4.606 4.347 -5.063 1.00 0.33 H new ATOM 0 HB2 SER A 19 6.905 3.646 -5.731 1.00 0.41 H new ATOM 0 HB3 SER A 19 6.979 2.552 -4.365 1.00 0.41 H new ATOM 0 HG SER A 19 6.275 1.477 -6.313 1.00 0.80 H new ATOM 284 N LEU A 20 5.023 2.565 -2.307 1.00 0.31 N ATOM 285 CA LEU A 20 4.266 1.703 -1.356 1.00 0.32 C ATOM 286 C LEU A 20 3.038 2.481 -0.880 1.00 0.25 C ATOM 287 O LEU A 20 1.924 1.996 -0.912 1.00 0.23 O ATOM 288 CB LEU A 20 5.174 1.362 -0.164 1.00 0.41 C ATOM 289 CG LEU A 20 4.619 0.156 0.621 1.00 0.45 C ATOM 290 CD1 LEU A 20 5.697 -0.360 1.583 1.00 0.99 C ATOM 291 CD2 LEU A 20 3.370 0.561 1.425 1.00 1.09 C ATOM 0 H LEU A 20 5.981 2.780 -2.032 1.00 0.31 H new ATOM 0 HA LEU A 20 3.949 0.777 -1.836 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.180 1.138 -0.520 1.00 0.41 H new ATOM 0 HB3 LEU A 20 5.254 2.225 0.496 1.00 0.41 H new ATOM 0 HG LEU A 20 4.342 -0.626 -0.086 1.00 0.45 H new ATOM 0 HD11 LEU A 20 5.309 -1.213 2.140 1.00 0.99 H new ATOM 0 HD12 LEU A 20 6.575 -0.667 1.015 1.00 0.99 H new ATOM 0 HD13 LEU A 20 5.974 0.432 2.278 1.00 0.99 H new ATOM 0 HD21 LEU A 20 2.993 -0.303 1.972 1.00 1.09 H new ATOM 0 HD22 LEU A 20 3.631 1.351 2.130 1.00 1.09 H new ATOM 0 HD23 LEU A 20 2.600 0.923 0.743 1.00 1.09 H new ATOM 303 N ALA A 21 3.239 3.697 -0.456 1.00 0.24 N ATOM 304 CA ALA A 21 2.103 4.533 0.013 1.00 0.22 C ATOM 305 C ALA A 21 1.114 4.752 -1.135 1.00 0.18 C ATOM 306 O ALA A 21 -0.074 4.890 -0.926 1.00 0.19 O ATOM 307 CB ALA A 21 2.634 5.886 0.491 1.00 0.27 C ATOM 0 H ALA A 21 4.152 4.151 -0.415 1.00 0.24 H new ATOM 0 HA ALA A 21 1.596 4.026 0.834 1.00 0.22 H new ATOM 0 HB1 ALA A 21 1.803 6.502 0.836 1.00 0.27 H new ATOM 0 HB2 ALA A 21 3.336 5.732 1.310 1.00 0.27 H new ATOM 0 HB3 ALA A 21 3.141 6.389 -0.332 1.00 0.27 H new ATOM 313 N GLU A 22 1.598 4.791 -2.346 1.00 0.18 N ATOM 314 CA GLU A 22 0.692 5.011 -3.507 1.00 0.19 C ATOM 315 C GLU A 22 -0.343 3.888 -3.557 1.00 0.18 C ATOM 316 O GLU A 22 -1.504 4.116 -3.830 1.00 0.21 O ATOM 317 CB GLU A 22 1.513 5.015 -4.800 1.00 0.24 C ATOM 318 CG GLU A 22 0.631 5.427 -5.980 1.00 0.50 C ATOM 319 CD GLU A 22 0.219 6.892 -5.829 1.00 0.68 C ATOM 320 OE1 GLU A 22 0.887 7.603 -5.096 1.00 1.15 O ATOM 321 OE2 GLU A 22 -0.754 7.281 -6.455 1.00 1.27 O ATOM 0 H GLU A 22 2.584 4.680 -2.581 1.00 0.18 H new ATOM 0 HA GLU A 22 0.183 5.969 -3.401 1.00 0.19 H new ATOM 0 HB2 GLU A 22 2.352 5.704 -4.705 1.00 0.24 H new ATOM 0 HB3 GLU A 22 1.932 4.024 -4.977 1.00 0.24 H new ATOM 0 HG2 GLU A 22 1.171 5.286 -6.916 1.00 0.50 H new ATOM 0 HG3 GLU A 22 -0.254 4.793 -6.023 1.00 0.50 H new ATOM 328 N ALA A 23 0.060 2.676 -3.286 1.00 0.18 N ATOM 329 CA ALA A 23 -0.922 1.559 -3.312 1.00 0.19 C ATOM 330 C ALA A 23 -2.022 1.863 -2.298 1.00 0.15 C ATOM 331 O ALA A 23 -3.193 1.669 -2.558 1.00 0.16 O ATOM 332 CB ALA A 23 -0.224 0.251 -2.930 1.00 0.23 C ATOM 0 H ALA A 23 1.017 2.414 -3.050 1.00 0.18 H new ATOM 0 HA ALA A 23 -1.346 1.456 -4.311 1.00 0.19 H new ATOM 0 HB1 ALA A 23 -0.946 -0.566 -2.950 1.00 0.23 H new ATOM 0 HB2 ALA A 23 0.577 0.045 -3.640 1.00 0.23 H new ATOM 0 HB3 ALA A 23 0.194 0.341 -1.928 1.00 0.23 H new ATOM 338 N LYS A 24 -1.655 2.354 -1.147 1.00 0.15 N ATOM 339 CA LYS A 24 -2.683 2.688 -0.124 1.00 0.18 C ATOM 340 C LYS A 24 -3.545 3.836 -0.650 1.00 0.19 C ATOM 341 O LYS A 24 -4.749 3.844 -0.498 1.00 0.26 O ATOM 342 CB LYS A 24 -1.991 3.137 1.166 1.00 0.22 C ATOM 343 CG LYS A 24 -1.245 1.961 1.799 1.00 0.21 C ATOM 344 CD LYS A 24 -0.563 2.436 3.083 1.00 0.27 C ATOM 345 CE LYS A 24 0.189 1.274 3.732 1.00 0.53 C ATOM 346 NZ LYS A 24 1.042 1.791 4.840 1.00 1.23 N ATOM 0 H LYS A 24 -0.690 2.538 -0.872 1.00 0.15 H new ATOM 0 HA LYS A 24 -3.301 1.813 0.078 1.00 0.18 H new ATOM 0 HB2 LYS A 24 -1.294 3.947 0.951 1.00 0.22 H new ATOM 0 HB3 LYS A 24 -2.729 3.529 1.866 1.00 0.22 H new ATOM 0 HG2 LYS A 24 -1.939 1.150 2.019 1.00 0.21 H new ATOM 0 HG3 LYS A 24 -0.504 1.567 1.103 1.00 0.21 H new ATOM 0 HD2 LYS A 24 0.128 3.248 2.859 1.00 0.27 H new ATOM 0 HD3 LYS A 24 -1.306 2.832 3.775 1.00 0.27 H new ATOM 0 HE2 LYS A 24 -0.518 0.538 4.116 1.00 0.53 H new ATOM 0 HE3 LYS A 24 0.806 0.766 2.990 1.00 0.53 H new ATOM 0 HZ1 LYS A 24 1.254 1.019 5.504 1.00 1.23 H new ATOM 0 HZ2 LYS A 24 1.930 2.165 4.449 1.00 1.23 H new ATOM 0 HZ3 LYS A 24 0.538 2.550 5.341 1.00 1.23 H new ATOM 360 N VAL A 25 -2.930 4.806 -1.277 1.00 0.19 N ATOM 361 CA VAL A 25 -3.704 5.958 -1.819 1.00 0.23 C ATOM 362 C VAL A 25 -4.627 5.467 -2.939 1.00 0.24 C ATOM 363 O VAL A 25 -5.794 5.801 -2.985 1.00 0.27 O ATOM 364 CB VAL A 25 -2.734 7.011 -2.370 1.00 0.27 C ATOM 365 CG1 VAL A 25 -3.508 8.095 -3.126 1.00 0.34 C ATOM 366 CG2 VAL A 25 -1.969 7.653 -1.208 1.00 0.29 C ATOM 0 H VAL A 25 -1.923 4.848 -1.436 1.00 0.19 H new ATOM 0 HA VAL A 25 -4.304 6.403 -1.025 1.00 0.23 H new ATOM 0 HB VAL A 25 -2.035 6.529 -3.053 1.00 0.27 H new ATOM 0 HG11 VAL A 25 -2.810 8.837 -3.513 1.00 0.34 H new ATOM 0 HG12 VAL A 25 -4.053 7.642 -3.955 1.00 0.34 H new ATOM 0 HG13 VAL A 25 -4.213 8.578 -2.449 1.00 0.34 H new ATOM 0 HG21 VAL A 25 -1.279 8.402 -1.596 1.00 0.29 H new ATOM 0 HG22 VAL A 25 -2.674 8.128 -0.527 1.00 0.29 H new ATOM 0 HG23 VAL A 25 -1.409 6.886 -0.673 1.00 0.29 H new ATOM 376 N LEU A 26 -4.111 4.680 -3.846 1.00 0.22 N ATOM 377 CA LEU A 26 -4.960 4.176 -4.963 1.00 0.25 C ATOM 378 C LEU A 26 -6.088 3.308 -4.396 1.00 0.23 C ATOM 379 O LEU A 26 -7.217 3.376 -4.839 1.00 0.28 O ATOM 380 CB LEU A 26 -4.101 3.344 -5.927 1.00 0.26 C ATOM 381 CG LEU A 26 -3.129 4.259 -6.690 1.00 0.31 C ATOM 382 CD1 LEU A 26 -2.129 3.395 -7.468 1.00 0.73 C ATOM 383 CD2 LEU A 26 -3.896 5.172 -7.669 1.00 0.78 C ATOM 0 H LEU A 26 -3.141 4.366 -3.861 1.00 0.22 H new ATOM 0 HA LEU A 26 -5.390 5.020 -5.502 1.00 0.25 H new ATOM 0 HB2 LEU A 26 -3.543 2.590 -5.372 1.00 0.26 H new ATOM 0 HB3 LEU A 26 -4.741 2.812 -6.631 1.00 0.26 H new ATOM 0 HG LEU A 26 -2.600 4.888 -5.974 1.00 0.31 H new ATOM 0 HD11 LEU A 26 -1.437 4.039 -8.011 1.00 0.73 H new ATOM 0 HD12 LEU A 26 -1.571 2.768 -6.772 1.00 0.73 H new ATOM 0 HD13 LEU A 26 -2.667 2.763 -8.175 1.00 0.73 H new ATOM 0 HD21 LEU A 26 -3.190 5.812 -8.199 1.00 0.78 H new ATOM 0 HD22 LEU A 26 -4.440 4.559 -8.387 1.00 0.78 H new ATOM 0 HD23 LEU A 26 -4.600 5.791 -7.113 1.00 0.78 H new ATOM 395 N ALA A 27 -5.795 2.502 -3.413 1.00 0.18 N ATOM 396 CA ALA A 27 -6.853 1.640 -2.815 1.00 0.18 C ATOM 397 C ALA A 27 -7.812 2.499 -1.985 1.00 0.16 C ATOM 398 O ALA A 27 -8.984 2.205 -1.875 1.00 0.19 O ATOM 399 CB ALA A 27 -6.206 0.585 -1.913 1.00 0.20 C ATOM 0 H ALA A 27 -4.869 2.403 -2.998 1.00 0.18 H new ATOM 0 HA ALA A 27 -7.407 1.147 -3.614 1.00 0.18 H new ATOM 0 HB1 ALA A 27 -6.981 -0.045 -1.476 1.00 0.20 H new ATOM 0 HB2 ALA A 27 -5.527 -0.031 -2.503 1.00 0.20 H new ATOM 0 HB3 ALA A 27 -5.649 1.079 -1.117 1.00 0.20 H new ATOM 405 N ASN A 28 -7.319 3.552 -1.390 1.00 0.15 N ATOM 406 CA ASN A 28 -8.195 4.423 -0.551 1.00 0.14 C ATOM 407 C ASN A 28 -9.337 4.998 -1.396 1.00 0.15 C ATOM 408 O ASN A 28 -10.480 5.006 -0.984 1.00 0.18 O ATOM 409 CB ASN A 28 -7.361 5.573 0.023 1.00 0.15 C ATOM 410 CG ASN A 28 -8.136 6.261 1.147 1.00 0.17 C ATOM 411 OD1 ASN A 28 -9.255 6.693 0.954 1.00 0.22 O ATOM 412 ND2 ASN A 28 -7.585 6.374 2.325 1.00 0.22 N ATOM 0 H ASN A 28 -6.345 3.848 -1.449 1.00 0.15 H new ATOM 0 HA ASN A 28 -8.618 3.828 0.259 1.00 0.14 H new ATOM 0 HB2 ASN A 28 -6.412 5.193 0.402 1.00 0.15 H new ATOM 0 HB3 ASN A 28 -7.126 6.291 -0.762 1.00 0.15 H new ATOM 0 HD21 ASN A 28 -8.094 6.825 3.085 1.00 0.22 H new ATOM 0 HD22 ASN A 28 -6.645 6.011 2.486 1.00 0.22 H new ATOM 419 N ARG A 29 -9.040 5.484 -2.569 1.00 0.18 N ATOM 420 CA ARG A 29 -10.110 6.063 -3.431 1.00 0.22 C ATOM 421 C ARG A 29 -11.029 4.949 -3.943 1.00 0.19 C ATOM 422 O ARG A 29 -12.199 5.163 -4.191 1.00 0.21 O ATOM 423 CB ARG A 29 -9.472 6.791 -4.617 1.00 0.31 C ATOM 424 CG ARG A 29 -8.775 8.059 -4.117 1.00 1.18 C ATOM 425 CD ARG A 29 -8.132 8.796 -5.294 1.00 1.46 C ATOM 426 NE ARG A 29 -7.457 10.028 -4.796 1.00 2.22 N ATOM 427 CZ ARG A 29 -6.612 10.666 -5.558 1.00 2.79 C ATOM 428 NH1 ARG A 29 -6.349 10.223 -6.757 1.00 2.95 N ATOM 429 NH2 ARG A 29 -6.026 11.748 -5.121 1.00 3.73 N ATOM 0 H ARG A 29 -8.102 5.506 -2.969 1.00 0.18 H new ATOM 0 HA ARG A 29 -10.700 6.769 -2.846 1.00 0.22 H new ATOM 0 HB2 ARG A 29 -8.754 6.140 -5.115 1.00 0.31 H new ATOM 0 HB3 ARG A 29 -10.234 7.047 -5.354 1.00 0.31 H new ATOM 0 HG2 ARG A 29 -9.495 8.708 -3.619 1.00 1.18 H new ATOM 0 HG3 ARG A 29 -8.015 7.801 -3.379 1.00 1.18 H new ATOM 0 HD2 ARG A 29 -7.410 8.149 -5.793 1.00 1.46 H new ATOM 0 HD3 ARG A 29 -8.890 9.056 -6.033 1.00 1.46 H new ATOM 0 HE ARG A 29 -7.656 10.373 -3.857 1.00 2.22 H new ATOM 0 HH11 ARG A 29 -6.804 9.377 -7.099 1.00 2.95 H new ATOM 0 HH12 ARG A 29 -5.688 10.723 -7.352 1.00 2.95 H new ATOM 0 HH21 ARG A 29 -6.229 12.095 -4.183 1.00 3.73 H new ATOM 0 HH22 ARG A 29 -5.365 12.246 -5.717 1.00 3.73 H new ATOM 443 N GLU A 30 -10.508 3.767 -4.116 1.00 0.21 N ATOM 444 CA GLU A 30 -11.348 2.646 -4.627 1.00 0.28 C ATOM 445 C GLU A 30 -12.516 2.389 -3.666 1.00 0.27 C ATOM 446 O GLU A 30 -13.627 2.138 -4.084 1.00 0.33 O ATOM 447 CB GLU A 30 -10.484 1.386 -4.741 1.00 0.37 C ATOM 448 CG GLU A 30 -11.316 0.224 -5.290 1.00 0.60 C ATOM 449 CD GLU A 30 -10.437 -1.022 -5.403 1.00 0.64 C ATOM 450 OE1 GLU A 30 -9.234 -0.890 -5.244 1.00 1.33 O ATOM 451 OE2 GLU A 30 -10.980 -2.086 -5.647 1.00 1.39 O ATOM 0 H GLU A 30 -9.535 3.527 -3.926 1.00 0.21 H new ATOM 0 HA GLU A 30 -11.749 2.907 -5.607 1.00 0.28 H new ATOM 0 HB2 GLU A 30 -9.634 1.577 -5.397 1.00 0.37 H new ATOM 0 HB3 GLU A 30 -10.080 1.124 -3.763 1.00 0.37 H new ATOM 0 HG2 GLU A 30 -12.163 0.027 -4.633 1.00 0.60 H new ATOM 0 HG3 GLU A 30 -11.724 0.484 -6.267 1.00 0.60 H new ATOM 458 N LEU A 31 -12.284 2.450 -2.387 1.00 0.23 N ATOM 459 CA LEU A 31 -13.401 2.210 -1.425 1.00 0.28 C ATOM 460 C LEU A 31 -14.482 3.254 -1.678 1.00 0.32 C ATOM 461 O LEU A 31 -15.653 2.959 -1.804 1.00 0.43 O ATOM 462 CB LEU A 31 -12.890 2.356 0.015 1.00 0.26 C ATOM 463 CG LEU A 31 -11.510 1.720 0.139 1.00 0.25 C ATOM 464 CD1 LEU A 31 -11.105 1.675 1.614 1.00 0.27 C ATOM 465 CD2 LEU A 31 -11.539 0.294 -0.427 1.00 0.33 C ATOM 0 H LEU A 31 -11.378 2.654 -1.965 1.00 0.23 H new ATOM 0 HA LEU A 31 -13.798 1.204 -1.562 1.00 0.28 H new ATOM 0 HB2 LEU A 31 -12.841 3.410 0.288 1.00 0.26 H new ATOM 0 HB3 LEU A 31 -13.584 1.879 0.707 1.00 0.26 H new ATOM 0 HG LEU A 31 -10.788 2.313 -0.423 1.00 0.25 H new ATOM 0 HD11 LEU A 31 -10.119 1.221 1.707 1.00 0.27 H new ATOM 0 HD12 LEU A 31 -11.077 2.688 2.015 1.00 0.27 H new ATOM 0 HD13 LEU A 31 -11.831 1.084 2.173 1.00 0.27 H new ATOM 0 HD21 LEU A 31 -10.550 -0.154 -0.335 1.00 0.33 H new ATOM 0 HD22 LEU A 31 -12.261 -0.304 0.129 1.00 0.33 H new ATOM 0 HD23 LEU A 31 -11.827 0.325 -1.478 1.00 0.33 H new ATOM 477 N ASP A 32 -14.074 4.482 -1.758 1.00 0.28 N ATOM 478 CA ASP A 32 -15.026 5.587 -2.007 1.00 0.35 C ATOM 479 C ASP A 32 -15.734 5.351 -3.343 1.00 0.42 C ATOM 480 O ASP A 32 -16.871 5.733 -3.531 1.00 0.54 O ATOM 481 CB ASP A 32 -14.233 6.896 -2.054 1.00 0.38 C ATOM 482 CG ASP A 32 -13.927 7.382 -0.631 1.00 0.54 C ATOM 483 OD1 ASP A 32 -14.477 6.820 0.302 1.00 1.12 O ATOM 484 OD2 ASP A 32 -13.144 8.307 -0.502 1.00 1.14 O ATOM 0 H ASP A 32 -13.101 4.772 -1.659 1.00 0.28 H new ATOM 0 HA ASP A 32 -15.776 5.637 -1.218 1.00 0.35 H new ATOM 0 HB2 ASP A 32 -13.303 6.747 -2.603 1.00 0.38 H new ATOM 0 HB3 ASP A 32 -14.802 7.655 -2.591 1.00 0.38 H new ATOM 489 N LYS A 33 -15.066 4.727 -4.273 1.00 0.38 N ATOM 490 CA LYS A 33 -15.697 4.473 -5.598 1.00 0.46 C ATOM 491 C LYS A 33 -16.955 3.618 -5.406 1.00 0.42 C ATOM 492 O LYS A 33 -17.969 3.846 -6.035 1.00 0.46 O ATOM 493 CB LYS A 33 -14.704 3.724 -6.487 1.00 0.58 C ATOM 494 CG LYS A 33 -15.225 3.668 -7.920 1.00 0.74 C ATOM 495 CD LYS A 33 -14.214 2.916 -8.787 1.00 1.34 C ATOM 496 CE LYS A 33 -14.594 3.060 -10.258 1.00 1.16 C ATOM 497 NZ LYS A 33 -15.947 2.475 -10.483 1.00 1.78 N ATOM 0 H LYS A 33 -14.111 4.382 -4.173 1.00 0.38 H new ATOM 0 HA LYS A 33 -15.970 5.419 -6.066 1.00 0.46 H new ATOM 0 HB2 LYS A 33 -13.735 4.222 -6.463 1.00 0.58 H new ATOM 0 HB3 LYS A 33 -14.553 2.714 -6.107 1.00 0.58 H new ATOM 0 HG2 LYS A 33 -16.193 3.167 -7.950 1.00 0.74 H new ATOM 0 HG3 LYS A 33 -15.376 4.676 -8.306 1.00 0.74 H new ATOM 0 HD2 LYS A 33 -13.212 3.310 -8.620 1.00 1.34 H new ATOM 0 HD3 LYS A 33 -14.193 1.863 -8.508 1.00 1.34 H new ATOM 0 HE2 LYS A 33 -14.589 4.112 -10.544 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -13.859 2.555 -10.885 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 -16.095 2.324 -11.501 1.00 1.78 H new ATOM 0 HZ2 LYS A 33 -16.019 1.565 -9.984 1.00 1.78 H new ATOM 0 HZ3 LYS A 33 -16.672 3.127 -10.121 1.00 1.78 H new ATOM 511 N TYR A 34 -16.903 2.638 -4.537 1.00 0.36 N ATOM 512 CA TYR A 34 -18.106 1.779 -4.301 1.00 0.37 C ATOM 513 C TYR A 34 -18.919 2.349 -3.133 1.00 0.33 C ATOM 514 O TYR A 34 -19.998 1.880 -2.830 1.00 0.55 O ATOM 515 CB TYR A 34 -17.667 0.348 -3.972 1.00 0.40 C ATOM 516 CG TYR A 34 -16.924 -0.242 -5.148 1.00 0.59 C ATOM 517 CD1 TYR A 34 -17.633 -0.824 -6.206 1.00 1.03 C ATOM 518 CD2 TYR A 34 -15.525 -0.216 -5.174 1.00 1.10 C ATOM 519 CE1 TYR A 34 -16.941 -1.378 -7.291 1.00 1.16 C ATOM 520 CE2 TYR A 34 -14.834 -0.768 -6.259 1.00 1.25 C ATOM 521 CZ TYR A 34 -15.542 -1.349 -7.318 1.00 0.99 C ATOM 522 OH TYR A 34 -14.860 -1.895 -8.387 1.00 1.20 O ATOM 0 H TYR A 34 -16.082 2.396 -3.982 1.00 0.36 H new ATOM 0 HA TYR A 34 -18.721 1.766 -5.201 1.00 0.37 H new ATOM 0 HB2 TYR A 34 -17.028 0.348 -3.089 1.00 0.40 H new ATOM 0 HB3 TYR A 34 -18.537 -0.264 -3.736 1.00 0.40 H new ATOM 0 HD1 TYR A 34 -18.713 -0.846 -6.186 1.00 1.03 H new ATOM 0 HD2 TYR A 34 -14.978 0.230 -4.356 1.00 1.10 H new ATOM 0 HE1 TYR A 34 -17.487 -1.828 -8.107 1.00 1.16 H new ATOM 0 HE2 TYR A 34 -13.754 -0.746 -6.279 1.00 1.25 H new ATOM 0 HH TYR A 34 -13.896 -1.790 -8.248 1.00 1.20 H new ATOM 532 N GLY A 35 -18.415 3.367 -2.485 1.00 0.24 N ATOM 533 CA GLY A 35 -19.167 3.977 -1.348 1.00 0.31 C ATOM 534 C GLY A 35 -19.031 3.122 -0.082 1.00 0.31 C ATOM 535 O GLY A 35 -19.881 3.154 0.785 1.00 0.36 O ATOM 0 H GLY A 35 -17.516 3.802 -2.694 1.00 0.24 H new ATOM 0 HA2 GLY A 35 -18.791 4.982 -1.155 1.00 0.31 H new ATOM 0 HA3 GLY A 35 -20.219 4.076 -1.614 1.00 0.31 H new ATOM 539 N VAL A 36 -17.976 2.362 0.042 1.00 0.33 N ATOM 540 CA VAL A 36 -17.813 1.520 1.264 1.00 0.38 C ATOM 541 C VAL A 36 -17.609 2.434 2.480 1.00 0.42 C ATOM 542 O VAL A 36 -17.246 3.586 2.346 1.00 0.45 O ATOM 543 CB VAL A 36 -16.598 0.595 1.102 1.00 0.41 C ATOM 544 CG1 VAL A 36 -16.707 -0.586 2.075 1.00 0.71 C ATOM 545 CG2 VAL A 36 -16.544 0.067 -0.334 1.00 0.66 C ATOM 0 H VAL A 36 -17.225 2.287 -0.644 1.00 0.33 H new ATOM 0 HA VAL A 36 -18.705 0.910 1.408 1.00 0.38 H new ATOM 0 HB VAL A 36 -15.690 1.158 1.320 1.00 0.41 H new ATOM 0 HG11 VAL A 36 -15.842 -1.238 1.954 1.00 0.71 H new ATOM 0 HG12 VAL A 36 -16.740 -0.212 3.098 1.00 0.71 H new ATOM 0 HG13 VAL A 36 -17.617 -1.148 1.864 1.00 0.71 H new ATOM 0 HG21 VAL A 36 -15.681 -0.589 -0.448 1.00 0.66 H new ATOM 0 HG22 VAL A 36 -17.455 -0.490 -0.551 1.00 0.66 H new ATOM 0 HG23 VAL A 36 -16.457 0.904 -1.026 1.00 0.66 H new ATOM 555 N SER A 37 -17.843 1.934 3.663 1.00 0.55 N ATOM 556 CA SER A 37 -17.666 2.779 4.877 1.00 0.64 C ATOM 557 C SER A 37 -16.273 3.416 4.859 1.00 0.50 C ATOM 558 O SER A 37 -15.317 2.834 4.387 1.00 0.93 O ATOM 559 CB SER A 37 -17.810 1.912 6.129 1.00 0.96 C ATOM 560 OG SER A 37 -16.578 1.253 6.387 1.00 1.56 O ATOM 0 H SER A 37 -18.149 0.977 3.841 1.00 0.55 H new ATOM 0 HA SER A 37 -18.425 3.561 4.886 1.00 0.64 H new ATOM 0 HB2 SER A 37 -18.091 2.529 6.982 1.00 0.96 H new ATOM 0 HB3 SER A 37 -18.605 1.180 5.989 1.00 0.96 H new ATOM 0 HG SER A 37 -16.548 0.409 5.890 1.00 1.56 H new ATOM 566 N ASP A 38 -16.159 4.611 5.367 1.00 0.43 N ATOM 567 CA ASP A 38 -14.838 5.305 5.385 1.00 0.37 C ATOM 568 C ASP A 38 -13.898 4.621 6.382 1.00 0.54 C ATOM 569 O ASP A 38 -12.702 4.823 6.361 1.00 1.41 O ATOM 570 CB ASP A 38 -15.054 6.761 5.805 1.00 0.53 C ATOM 571 CG ASP A 38 -15.680 6.797 7.200 1.00 1.52 C ATOM 572 OD1 ASP A 38 -16.240 5.791 7.602 1.00 2.35 O ATOM 573 OD2 ASP A 38 -15.592 7.832 7.841 1.00 2.16 O ATOM 0 H ASP A 38 -16.929 5.142 5.774 1.00 0.43 H new ATOM 0 HA ASP A 38 -14.390 5.262 4.392 1.00 0.37 H new ATOM 0 HB2 ASP A 38 -14.104 7.296 5.806 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -15.703 7.266 5.089 1.00 0.53 H new ATOM 578 N TYR A 39 -14.433 3.823 7.258 1.00 0.42 N ATOM 579 CA TYR A 39 -13.585 3.128 8.269 1.00 0.33 C ATOM 580 C TYR A 39 -12.539 2.230 7.585 1.00 0.25 C ATOM 581 O TYR A 39 -11.409 2.137 8.021 1.00 0.26 O ATOM 582 CB TYR A 39 -14.489 2.270 9.157 1.00 0.44 C ATOM 583 CG TYR A 39 -13.645 1.419 10.070 1.00 0.57 C ATOM 584 CD1 TYR A 39 -13.231 0.157 9.639 1.00 1.19 C ATOM 585 CD2 TYR A 39 -13.268 1.890 11.332 1.00 1.35 C ATOM 586 CE1 TYR A 39 -12.442 -0.640 10.468 1.00 1.30 C ATOM 587 CE2 TYR A 39 -12.475 1.092 12.165 1.00 1.51 C ATOM 588 CZ TYR A 39 -12.062 -0.175 11.733 1.00 1.02 C ATOM 589 OH TYR A 39 -11.281 -0.964 12.554 1.00 1.27 O ATOM 0 H TYR A 39 -15.430 3.619 7.320 1.00 0.42 H new ATOM 0 HA TYR A 39 -13.058 3.873 8.865 1.00 0.33 H new ATOM 0 HB2 TYR A 39 -15.148 2.908 9.745 1.00 0.44 H new ATOM 0 HB3 TYR A 39 -15.126 1.637 8.540 1.00 0.44 H new ATOM 0 HD1 TYR A 39 -13.522 -0.202 8.663 1.00 1.19 H new ATOM 0 HD2 TYR A 39 -13.588 2.867 11.663 1.00 1.35 H new ATOM 0 HE1 TYR A 39 -12.124 -1.617 10.134 1.00 1.30 H new ATOM 0 HE2 TYR A 39 -12.182 1.453 13.140 1.00 1.51 H new ATOM 0 HH TYR A 39 -11.108 -0.491 13.394 1.00 1.27 H new ATOM 599 N TYR A 40 -12.917 1.546 6.545 1.00 0.25 N ATOM 600 CA TYR A 40 -11.965 0.622 5.858 1.00 0.23 C ATOM 601 C TYR A 40 -10.733 1.373 5.332 1.00 0.19 C ATOM 602 O TYR A 40 -9.641 0.840 5.327 1.00 0.19 O ATOM 603 CB TYR A 40 -12.675 -0.046 4.680 1.00 0.29 C ATOM 604 CG TYR A 40 -13.713 -1.017 5.196 1.00 0.29 C ATOM 605 CD1 TYR A 40 -13.315 -2.225 5.780 1.00 0.80 C ATOM 606 CD2 TYR A 40 -15.076 -0.710 5.086 1.00 0.66 C ATOM 607 CE1 TYR A 40 -14.277 -3.126 6.254 1.00 0.94 C ATOM 608 CE2 TYR A 40 -16.038 -1.610 5.561 1.00 0.76 C ATOM 609 CZ TYR A 40 -15.638 -2.817 6.144 1.00 0.70 C ATOM 610 OH TYR A 40 -16.587 -3.706 6.610 1.00 0.93 O ATOM 0 H TYR A 40 -13.850 1.585 6.135 1.00 0.25 H new ATOM 0 HA TYR A 40 -11.633 -0.122 6.582 1.00 0.23 H new ATOM 0 HB2 TYR A 40 -13.149 0.709 4.053 1.00 0.29 H new ATOM 0 HB3 TYR A 40 -11.951 -0.570 4.056 1.00 0.29 H new ATOM 0 HD1 TYR A 40 -12.265 -2.463 5.865 1.00 0.80 H new ATOM 0 HD2 TYR A 40 -15.385 0.221 4.635 1.00 0.66 H new ATOM 0 HE1 TYR A 40 -13.969 -4.058 6.704 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -17.088 -1.372 5.477 1.00 0.76 H new ATOM 0 HH TYR A 40 -17.482 -3.338 6.458 1.00 0.93 H new ATOM 620 N LYS A 41 -10.879 2.588 4.876 1.00 0.18 N ATOM 621 CA LYS A 41 -9.690 3.312 4.348 1.00 0.17 C ATOM 622 C LYS A 41 -8.672 3.458 5.475 1.00 0.16 C ATOM 623 O LYS A 41 -7.480 3.324 5.275 1.00 0.17 O ATOM 624 CB LYS A 41 -10.123 4.689 3.768 1.00 0.22 C ATOM 625 CG LYS A 41 -9.990 5.835 4.795 1.00 0.79 C ATOM 626 CD LYS A 41 -10.402 7.163 4.142 1.00 1.17 C ATOM 627 CE LYS A 41 -11.871 7.115 3.703 1.00 1.68 C ATOM 628 NZ LYS A 41 -12.424 8.498 3.680 1.00 2.14 N ATOM 0 H LYS A 41 -11.758 3.104 4.847 1.00 0.18 H new ATOM 0 HA LYS A 41 -9.227 2.753 3.534 1.00 0.17 H new ATOM 0 HB2 LYS A 41 -9.515 4.918 2.893 1.00 0.22 H new ATOM 0 HB3 LYS A 41 -11.157 4.627 3.430 1.00 0.22 H new ATOM 0 HG2 LYS A 41 -10.619 5.634 5.662 1.00 0.79 H new ATOM 0 HG3 LYS A 41 -8.963 5.898 5.154 1.00 0.79 H new ATOM 0 HD2 LYS A 41 -10.254 7.982 4.846 1.00 1.17 H new ATOM 0 HD3 LYS A 41 -9.766 7.364 3.280 1.00 1.17 H new ATOM 0 HE2 LYS A 41 -11.952 6.662 2.715 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -12.447 6.492 4.388 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -13.420 8.469 3.383 1.00 2.14 H new ATOM 0 HZ2 LYS A 41 -12.359 8.914 4.631 1.00 2.14 H new ATOM 0 HZ3 LYS A 41 -11.880 9.078 3.010 1.00 2.14 H new ATOM 642 N ASN A 42 -9.135 3.737 6.657 1.00 0.19 N ATOM 643 CA ASN A 42 -8.202 3.896 7.797 1.00 0.21 C ATOM 644 C ASN A 42 -7.545 2.553 8.116 1.00 0.18 C ATOM 645 O ASN A 42 -6.380 2.486 8.455 1.00 0.19 O ATOM 646 CB ASN A 42 -8.962 4.401 9.026 1.00 0.25 C ATOM 647 CG ASN A 42 -9.395 5.851 8.804 1.00 0.32 C ATOM 648 OD1 ASN A 42 -10.569 6.161 8.857 1.00 1.12 O ATOM 649 ND2 ASN A 42 -8.493 6.761 8.557 1.00 1.16 N ATOM 0 H ASN A 42 -10.122 3.862 6.882 1.00 0.19 H new ATOM 0 HA ASN A 42 -7.433 4.620 7.530 1.00 0.21 H new ATOM 0 HB2 ASN A 42 -9.835 3.774 9.209 1.00 0.25 H new ATOM 0 HB3 ASN A 42 -8.329 4.332 9.911 1.00 0.25 H new ATOM 0 HD21 ASN A 42 -8.774 7.730 8.409 1.00 1.16 H new ATOM 0 HD22 ASN A 42 -7.507 6.503 8.512 1.00 1.16 H new ATOM 656 N LEU A 43 -8.288 1.484 8.029 1.00 0.16 N ATOM 657 CA LEU A 43 -7.709 0.150 8.348 1.00 0.16 C ATOM 658 C LEU A 43 -6.532 -0.142 7.409 1.00 0.14 C ATOM 659 O LEU A 43 -5.507 -0.632 7.831 1.00 0.17 O ATOM 660 CB LEU A 43 -8.796 -0.922 8.189 1.00 0.17 C ATOM 661 CG LEU A 43 -8.236 -2.316 8.511 1.00 0.20 C ATOM 662 CD1 LEU A 43 -7.715 -2.361 9.957 1.00 0.63 C ATOM 663 CD2 LEU A 43 -9.356 -3.350 8.343 1.00 0.63 C ATOM 0 H LEU A 43 -9.269 1.477 7.751 1.00 0.16 H new ATOM 0 HA LEU A 43 -7.345 0.142 9.375 1.00 0.16 H new ATOM 0 HB2 LEU A 43 -9.633 -0.699 8.851 1.00 0.17 H new ATOM 0 HB3 LEU A 43 -9.183 -0.907 7.170 1.00 0.17 H new ATOM 0 HG LEU A 43 -7.412 -2.538 7.833 1.00 0.20 H new ATOM 0 HD11 LEU A 43 -7.321 -3.355 10.171 1.00 0.63 H new ATOM 0 HD12 LEU A 43 -6.923 -1.622 10.082 1.00 0.63 H new ATOM 0 HD13 LEU A 43 -8.531 -2.138 10.645 1.00 0.63 H new ATOM 0 HD21 LEU A 43 -8.970 -4.344 8.569 1.00 0.63 H new ATOM 0 HD22 LEU A 43 -10.174 -3.115 9.024 1.00 0.63 H new ATOM 0 HD23 LEU A 43 -9.721 -3.327 7.316 1.00 0.63 H new ATOM 675 N ILE A 44 -6.659 0.161 6.144 1.00 0.13 N ATOM 676 CA ILE A 44 -5.528 -0.100 5.201 1.00 0.13 C ATOM 677 C ILE A 44 -4.297 0.694 5.647 1.00 0.14 C ATOM 678 O ILE A 44 -3.180 0.218 5.579 1.00 0.15 O ATOM 679 CB ILE A 44 -5.933 0.328 3.785 1.00 0.16 C ATOM 680 CG1 ILE A 44 -6.993 -0.641 3.259 1.00 0.33 C ATOM 681 CG2 ILE A 44 -4.710 0.296 2.859 1.00 0.14 C ATOM 682 CD1 ILE A 44 -7.594 -0.104 1.960 1.00 0.38 C ATOM 0 H ILE A 44 -7.491 0.575 5.723 1.00 0.13 H new ATOM 0 HA ILE A 44 -5.291 -1.164 5.203 1.00 0.13 H new ATOM 0 HB ILE A 44 -6.333 1.342 3.811 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -6.548 -1.621 3.086 1.00 0.33 H new ATOM 0 HG13 ILE A 44 -7.777 -0.775 4.004 1.00 0.33 H new ATOM 0 HG21 ILE A 44 -5.006 0.601 1.855 1.00 0.14 H new ATOM 0 HG22 ILE A 44 -3.950 0.979 3.237 1.00 0.14 H new ATOM 0 HG23 ILE A 44 -4.305 -0.715 2.826 1.00 0.14 H new ATOM 0 HD11 ILE A 44 -8.348 -0.800 1.593 1.00 0.38 H new ATOM 0 HD12 ILE A 44 -8.056 0.866 2.146 1.00 0.38 H new ATOM 0 HD13 ILE A 44 -6.807 0.006 1.213 1.00 0.38 H new ATOM 694 N ASN A 45 -4.494 1.904 6.084 1.00 0.15 N ATOM 695 CA ASN A 45 -3.342 2.743 6.518 1.00 0.19 C ATOM 696 C ASN A 45 -2.380 1.932 7.395 1.00 0.20 C ATOM 697 O ASN A 45 -1.216 2.264 7.512 1.00 0.28 O ATOM 698 CB ASN A 45 -3.865 3.942 7.313 1.00 0.22 C ATOM 699 CG ASN A 45 -2.722 4.929 7.554 1.00 0.65 C ATOM 700 OD1 ASN A 45 -1.739 4.925 6.839 1.00 1.46 O ATOM 701 ND2 ASN A 45 -2.807 5.779 8.540 1.00 0.94 N ATOM 0 H ASN A 45 -5.407 2.352 6.160 1.00 0.15 H new ATOM 0 HA ASN A 45 -2.803 3.084 5.634 1.00 0.19 H new ATOM 0 HB2 ASN A 45 -4.673 4.430 6.767 1.00 0.22 H new ATOM 0 HB3 ASN A 45 -4.279 3.609 8.265 1.00 0.22 H new ATOM 0 HD21 ASN A 45 -2.049 6.440 8.711 1.00 0.94 H new ATOM 0 HD22 ASN A 45 -3.632 5.783 9.140 1.00 0.94 H new ATOM 708 N ASN A 46 -2.841 0.878 8.024 1.00 0.17 N ATOM 709 CA ASN A 46 -1.924 0.075 8.896 1.00 0.22 C ATOM 710 C ASN A 46 -1.254 -1.038 8.081 1.00 0.24 C ATOM 711 O ASN A 46 -0.459 -1.800 8.595 1.00 0.27 O ATOM 712 CB ASN A 46 -2.720 -0.545 10.055 1.00 0.24 C ATOM 713 CG ASN A 46 -3.585 -1.711 9.555 1.00 0.41 C ATOM 714 OD1 ASN A 46 -3.665 -1.964 8.370 1.00 1.10 O ATOM 715 ND2 ASN A 46 -4.231 -2.441 10.421 1.00 1.22 N ATOM 0 H ASN A 46 -3.802 0.541 7.973 1.00 0.17 H new ATOM 0 HA ASN A 46 -1.154 0.735 9.295 1.00 0.22 H new ATOM 0 HB2 ASN A 46 -2.035 -0.898 10.826 1.00 0.24 H new ATOM 0 HB3 ASN A 46 -3.353 0.214 10.515 1.00 0.24 H new ATOM 0 HD21 ASN A 46 -4.803 -3.224 10.103 1.00 1.22 H new ATOM 0 HD22 ASN A 46 -4.165 -2.230 11.417 1.00 1.22 H new ATOM 722 N ALA A 47 -1.568 -1.147 6.819 1.00 0.24 N ATOM 723 CA ALA A 47 -0.942 -2.221 5.994 1.00 0.30 C ATOM 724 C ALA A 47 0.532 -1.885 5.758 1.00 0.51 C ATOM 725 O ALA A 47 0.882 -0.760 5.468 1.00 1.49 O ATOM 726 CB ALA A 47 -1.671 -2.331 4.652 1.00 0.21 C ATOM 0 H ALA A 47 -2.226 -0.544 6.325 1.00 0.24 H new ATOM 0 HA ALA A 47 -1.016 -3.174 6.519 1.00 0.30 H new ATOM 0 HB1 ALA A 47 -1.212 -3.116 4.052 1.00 0.21 H new ATOM 0 HB2 ALA A 47 -2.719 -2.574 4.826 1.00 0.21 H new ATOM 0 HB3 ALA A 47 -1.602 -1.381 4.121 1.00 0.21 H new ATOM 732 N LYS A 48 1.401 -2.858 5.889 1.00 0.60 N ATOM 733 CA LYS A 48 2.863 -2.612 5.681 1.00 0.53 C ATOM 734 C LYS A 48 3.312 -3.276 4.377 1.00 0.42 C ATOM 735 O LYS A 48 4.254 -2.842 3.743 1.00 0.51 O ATOM 736 CB LYS A 48 3.647 -3.221 6.849 1.00 0.68 C ATOM 737 CG LYS A 48 3.171 -2.616 8.178 1.00 1.13 C ATOM 738 CD LYS A 48 3.594 -1.144 8.275 1.00 1.72 C ATOM 739 CE LYS A 48 3.511 -0.678 9.731 1.00 2.29 C ATOM 740 NZ LYS A 48 4.012 0.721 9.832 1.00 2.97 N ATOM 0 H LYS A 48 1.159 -3.818 6.133 1.00 0.60 H new ATOM 0 HA LYS A 48 3.048 -1.539 5.628 1.00 0.53 H new ATOM 0 HB2 LYS A 48 3.511 -4.302 6.864 1.00 0.68 H new ATOM 0 HB3 LYS A 48 4.713 -3.036 6.717 1.00 0.68 H new ATOM 0 HG2 LYS A 48 2.087 -2.696 8.254 1.00 1.13 H new ATOM 0 HG3 LYS A 48 3.591 -3.178 9.012 1.00 1.13 H new ATOM 0 HD2 LYS A 48 4.611 -1.022 7.902 1.00 1.72 H new ATOM 0 HD3 LYS A 48 2.949 -0.528 7.649 1.00 1.72 H new ATOM 0 HE2 LYS A 48 2.481 -0.734 10.084 1.00 2.29 H new ATOM 0 HE3 LYS A 48 4.103 -1.335 10.369 1.00 2.29 H new ATOM 0 HZ1 LYS A 48 3.956 1.039 10.821 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 5.000 0.760 9.511 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 3.430 1.342 9.235 1.00 2.97 H new ATOM 754 N THR A 49 2.651 -4.333 3.976 1.00 0.35 N ATOM 755 CA THR A 49 3.040 -5.043 2.717 1.00 0.42 C ATOM 756 C THR A 49 2.071 -4.673 1.590 1.00 0.62 C ATOM 757 O THR A 49 0.877 -4.576 1.793 1.00 1.59 O ATOM 758 CB THR A 49 2.978 -6.551 2.960 1.00 0.45 C ATOM 759 OG1 THR A 49 1.649 -6.916 3.308 1.00 0.57 O ATOM 760 CG2 THR A 49 3.927 -6.922 4.101 1.00 0.48 C ATOM 0 H THR A 49 1.855 -4.737 4.469 1.00 0.35 H new ATOM 0 HA THR A 49 4.050 -4.750 2.431 1.00 0.42 H new ATOM 0 HB THR A 49 3.276 -7.081 2.055 1.00 0.45 H new ATOM 0 HG1 THR A 49 1.605 -7.883 3.463 1.00 0.57 H new ATOM 0 HG21 THR A 49 3.884 -7.997 4.275 1.00 0.48 H new ATOM 0 HG22 THR A 49 4.945 -6.638 3.834 1.00 0.48 H new ATOM 0 HG23 THR A 49 3.629 -6.395 5.008 1.00 0.48 H new ATOM 768 N VAL A 50 2.576 -4.472 0.402 1.00 0.44 N ATOM 769 CA VAL A 50 1.690 -4.112 -0.743 1.00 0.33 C ATOM 770 C VAL A 50 0.676 -5.235 -0.975 1.00 0.37 C ATOM 771 O VAL A 50 -0.500 -4.995 -1.153 1.00 0.40 O ATOM 772 CB VAL A 50 2.539 -3.937 -2.001 1.00 0.42 C ATOM 773 CG1 VAL A 50 1.635 -3.808 -3.232 1.00 0.47 C ATOM 774 CG2 VAL A 50 3.403 -2.681 -1.866 1.00 0.44 C ATOM 0 H VAL A 50 3.568 -4.542 0.175 1.00 0.44 H new ATOM 0 HA VAL A 50 1.164 -3.184 -0.519 1.00 0.33 H new ATOM 0 HB VAL A 50 3.181 -4.810 -2.121 1.00 0.42 H new ATOM 0 HG11 VAL A 50 2.250 -3.684 -4.123 1.00 0.47 H new ATOM 0 HG12 VAL A 50 1.027 -4.707 -3.333 1.00 0.47 H new ATOM 0 HG13 VAL A 50 0.984 -2.941 -3.116 1.00 0.47 H new ATOM 0 HG21 VAL A 50 4.008 -2.557 -2.764 1.00 0.44 H new ATOM 0 HG22 VAL A 50 2.761 -1.810 -1.738 1.00 0.44 H new ATOM 0 HG23 VAL A 50 4.056 -2.780 -0.999 1.00 0.44 H new ATOM 784 N GLU A 51 1.121 -6.463 -0.976 1.00 0.43 N ATOM 785 CA GLU A 51 0.168 -7.583 -1.201 1.00 0.53 C ATOM 786 C GLU A 51 -0.880 -7.540 -0.097 1.00 0.49 C ATOM 787 O GLU A 51 -2.048 -7.789 -0.319 1.00 0.62 O ATOM 788 CB GLU A 51 0.920 -8.922 -1.170 1.00 0.66 C ATOM 789 CG GLU A 51 1.412 -9.219 0.250 1.00 1.57 C ATOM 790 CD GLU A 51 2.363 -10.417 0.217 1.00 1.95 C ATOM 791 OE1 GLU A 51 1.994 -11.424 -0.366 1.00 2.14 O ATOM 792 OE2 GLU A 51 3.441 -10.308 0.775 1.00 2.64 O ATOM 0 H GLU A 51 2.093 -6.735 -0.832 1.00 0.43 H new ATOM 0 HA GLU A 51 -0.312 -7.485 -2.175 1.00 0.53 H new ATOM 0 HB2 GLU A 51 0.265 -9.724 -1.511 1.00 0.66 H new ATOM 0 HB3 GLU A 51 1.766 -8.888 -1.856 1.00 0.66 H new ATOM 0 HG2 GLU A 51 1.922 -8.347 0.660 1.00 1.57 H new ATOM 0 HG3 GLU A 51 0.566 -9.430 0.903 1.00 1.57 H new ATOM 799 N GLY A 52 -0.469 -7.201 1.089 1.00 0.40 N ATOM 800 CA GLY A 52 -1.434 -7.111 2.209 1.00 0.41 C ATOM 801 C GLY A 52 -2.485 -6.054 1.872 1.00 0.31 C ATOM 802 O GLY A 52 -3.626 -6.150 2.280 1.00 0.35 O ATOM 0 H GLY A 52 0.498 -6.982 1.330 1.00 0.40 H new ATOM 0 HA2 GLY A 52 -1.911 -8.077 2.375 1.00 0.41 H new ATOM 0 HA3 GLY A 52 -0.917 -6.848 3.132 1.00 0.41 H new ATOM 806 N VAL A 53 -2.113 -5.037 1.133 1.00 0.22 N ATOM 807 CA VAL A 53 -3.109 -3.980 0.788 1.00 0.15 C ATOM 808 C VAL A 53 -4.153 -4.552 -0.177 1.00 0.14 C ATOM 809 O VAL A 53 -5.339 -4.494 0.074 1.00 0.17 O ATOM 810 CB VAL A 53 -2.401 -2.796 0.126 1.00 0.14 C ATOM 811 CG1 VAL A 53 -3.437 -1.755 -0.299 1.00 0.19 C ATOM 812 CG2 VAL A 53 -1.423 -2.164 1.118 1.00 0.14 C ATOM 0 H VAL A 53 -1.175 -4.895 0.759 1.00 0.22 H new ATOM 0 HA VAL A 53 -3.601 -3.643 1.700 1.00 0.15 H new ATOM 0 HB VAL A 53 -1.855 -3.145 -0.750 1.00 0.14 H new ATOM 0 HG11 VAL A 53 -2.933 -0.911 -0.771 1.00 0.19 H new ATOM 0 HG12 VAL A 53 -4.134 -2.203 -1.007 1.00 0.19 H new ATOM 0 HG13 VAL A 53 -3.984 -1.407 0.577 1.00 0.19 H new ATOM 0 HG21 VAL A 53 -0.919 -1.321 0.645 1.00 0.14 H new ATOM 0 HG22 VAL A 53 -1.969 -1.816 1.995 1.00 0.14 H new ATOM 0 HG23 VAL A 53 -0.683 -2.905 1.422 1.00 0.14 H new ATOM 822 N LYS A 54 -3.722 -5.110 -1.277 1.00 0.18 N ATOM 823 CA LYS A 54 -4.692 -5.686 -2.252 1.00 0.21 C ATOM 824 C LYS A 54 -5.432 -6.861 -1.606 1.00 0.20 C ATOM 825 O LYS A 54 -6.618 -7.043 -1.796 1.00 0.21 O ATOM 826 CB LYS A 54 -3.936 -6.174 -3.492 1.00 0.26 C ATOM 827 CG LYS A 54 -4.927 -6.748 -4.508 1.00 0.30 C ATOM 828 CD LYS A 54 -4.214 -7.005 -5.841 1.00 0.78 C ATOM 829 CE LYS A 54 -3.159 -8.102 -5.667 1.00 1.14 C ATOM 830 NZ LYS A 54 -2.769 -8.633 -7.005 1.00 1.73 N ATOM 0 H LYS A 54 -2.740 -5.192 -1.542 1.00 0.18 H new ATOM 0 HA LYS A 54 -5.413 -4.922 -2.543 1.00 0.21 H new ATOM 0 HB2 LYS A 54 -3.379 -5.350 -3.938 1.00 0.26 H new ATOM 0 HB3 LYS A 54 -3.208 -6.935 -3.210 1.00 0.26 H new ATOM 0 HG2 LYS A 54 -5.354 -7.676 -4.129 1.00 0.30 H new ATOM 0 HG3 LYS A 54 -5.754 -6.053 -4.655 1.00 0.30 H new ATOM 0 HD2 LYS A 54 -4.938 -7.303 -6.599 1.00 0.78 H new ATOM 0 HD3 LYS A 54 -3.742 -6.088 -6.193 1.00 0.78 H new ATOM 0 HE2 LYS A 54 -2.285 -7.702 -5.153 1.00 1.14 H new ATOM 0 HE3 LYS A 54 -3.554 -8.906 -5.046 1.00 1.14 H new ATOM 0 HZ1 LYS A 54 -2.053 -9.378 -6.888 1.00 1.73 H new ATOM 0 HZ2 LYS A 54 -3.606 -9.029 -7.479 1.00 1.73 H new ATOM 0 HZ3 LYS A 54 -2.376 -7.863 -7.583 1.00 1.73 H new ATOM 844 N ALA A 55 -4.733 -7.662 -0.850 1.00 0.22 N ATOM 845 CA ALA A 55 -5.378 -8.836 -0.195 1.00 0.23 C ATOM 846 C ALA A 55 -6.472 -8.375 0.776 1.00 0.20 C ATOM 847 O ALA A 55 -7.472 -9.042 0.955 1.00 0.19 O ATOM 848 CB ALA A 55 -4.320 -9.632 0.572 1.00 0.30 C ATOM 0 H ALA A 55 -3.737 -7.554 -0.657 1.00 0.22 H new ATOM 0 HA ALA A 55 -5.832 -9.463 -0.963 1.00 0.23 H new ATOM 0 HB1 ALA A 55 -4.788 -10.491 1.052 1.00 0.30 H new ATOM 0 HB2 ALA A 55 -3.552 -9.977 -0.120 1.00 0.30 H new ATOM 0 HB3 ALA A 55 -3.865 -8.995 1.331 1.00 0.30 H new ATOM 854 N LEU A 56 -6.294 -7.248 1.411 1.00 0.20 N ATOM 855 CA LEU A 56 -7.334 -6.771 2.370 1.00 0.21 C ATOM 856 C LEU A 56 -8.575 -6.374 1.577 1.00 0.18 C ATOM 857 O LEU A 56 -9.691 -6.651 1.970 1.00 0.19 O ATOM 858 CB LEU A 56 -6.814 -5.556 3.149 1.00 0.26 C ATOM 859 CG LEU A 56 -7.802 -5.186 4.276 1.00 0.30 C ATOM 860 CD1 LEU A 56 -7.623 -6.126 5.480 1.00 0.34 C ATOM 861 CD2 LEU A 56 -7.561 -3.735 4.719 1.00 0.46 C ATOM 0 H LEU A 56 -5.481 -6.641 1.309 1.00 0.20 H new ATOM 0 HA LEU A 56 -7.574 -7.564 3.078 1.00 0.21 H new ATOM 0 HB2 LEU A 56 -5.834 -5.778 3.572 1.00 0.26 H new ATOM 0 HB3 LEU A 56 -6.686 -4.709 2.475 1.00 0.26 H new ATOM 0 HG LEU A 56 -8.818 -5.290 3.896 1.00 0.30 H new ATOM 0 HD11 LEU A 56 -8.328 -5.850 6.265 1.00 0.34 H new ATOM 0 HD12 LEU A 56 -7.809 -7.154 5.170 1.00 0.34 H new ATOM 0 HD13 LEU A 56 -6.605 -6.041 5.860 1.00 0.34 H new ATOM 0 HD21 LEU A 56 -8.260 -3.477 5.515 1.00 0.46 H new ATOM 0 HD22 LEU A 56 -6.540 -3.631 5.085 1.00 0.46 H new ATOM 0 HD23 LEU A 56 -7.712 -3.066 3.872 1.00 0.46 H new ATOM 873 N ILE A 57 -8.386 -5.744 0.452 1.00 0.16 N ATOM 874 CA ILE A 57 -9.552 -5.351 -0.377 1.00 0.17 C ATOM 875 C ILE A 57 -10.300 -6.623 -0.752 1.00 0.17 C ATOM 876 O ILE A 57 -11.513 -6.668 -0.763 1.00 0.20 O ATOM 877 CB ILE A 57 -9.078 -4.660 -1.659 1.00 0.18 C ATOM 878 CG1 ILE A 57 -8.266 -3.396 -1.324 1.00 0.19 C ATOM 879 CG2 ILE A 57 -10.288 -4.277 -2.507 1.00 0.23 C ATOM 880 CD1 ILE A 57 -9.058 -2.466 -0.396 1.00 0.21 C ATOM 0 H ILE A 57 -7.475 -5.486 0.073 1.00 0.16 H new ATOM 0 HA ILE A 57 -10.191 -4.664 0.178 1.00 0.17 H new ATOM 0 HB ILE A 57 -8.440 -5.349 -2.213 1.00 0.18 H new ATOM 0 HG12 ILE A 57 -7.327 -3.678 -0.848 1.00 0.19 H new ATOM 0 HG13 ILE A 57 -8.011 -2.868 -2.243 1.00 0.19 H new ATOM 0 HG21 ILE A 57 -9.952 -3.785 -3.420 1.00 0.23 H new ATOM 0 HG22 ILE A 57 -10.851 -5.174 -2.765 1.00 0.23 H new ATOM 0 HG23 ILE A 57 -10.927 -3.598 -1.943 1.00 0.23 H new ATOM 0 HD11 ILE A 57 -8.463 -1.580 -0.174 1.00 0.21 H new ATOM 0 HD12 ILE A 57 -9.985 -2.167 -0.885 1.00 0.21 H new ATOM 0 HD13 ILE A 57 -9.290 -2.989 0.532 1.00 0.21 H new ATOM 892 N ASP A 58 -9.573 -7.662 -1.062 1.00 0.16 N ATOM 893 CA ASP A 58 -10.238 -8.938 -1.437 1.00 0.19 C ATOM 894 C ASP A 58 -11.102 -9.412 -0.270 1.00 0.19 C ATOM 895 O ASP A 58 -12.206 -9.887 -0.454 1.00 0.22 O ATOM 896 CB ASP A 58 -9.175 -9.993 -1.756 1.00 0.21 C ATOM 897 CG ASP A 58 -8.472 -9.629 -3.066 1.00 0.50 C ATOM 898 OD1 ASP A 58 -9.042 -8.864 -3.828 1.00 1.11 O ATOM 899 OD2 ASP A 58 -7.378 -10.123 -3.286 1.00 1.17 O ATOM 0 H ASP A 58 -8.553 -7.681 -1.071 1.00 0.16 H new ATOM 0 HA ASP A 58 -10.864 -8.784 -2.316 1.00 0.19 H new ATOM 0 HB2 ASP A 58 -8.449 -10.050 -0.945 1.00 0.21 H new ATOM 0 HB3 ASP A 58 -9.637 -10.977 -1.840 1.00 0.21 H new ATOM 904 N GLU A 59 -10.617 -9.273 0.934 1.00 0.18 N ATOM 905 CA GLU A 59 -11.418 -9.697 2.111 1.00 0.21 C ATOM 906 C GLU A 59 -12.587 -8.731 2.281 1.00 0.24 C ATOM 907 O GLU A 59 -13.692 -9.123 2.600 1.00 0.30 O ATOM 908 CB GLU A 59 -10.542 -9.667 3.367 1.00 0.23 C ATOM 909 CG GLU A 59 -9.496 -10.784 3.296 1.00 0.25 C ATOM 910 CD GLU A 59 -10.187 -12.147 3.381 1.00 0.38 C ATOM 911 OE1 GLU A 59 -10.842 -12.395 4.380 1.00 1.04 O ATOM 912 OE2 GLU A 59 -10.048 -12.918 2.447 1.00 0.98 O ATOM 0 H GLU A 59 -9.700 -8.883 1.151 1.00 0.18 H new ATOM 0 HA GLU A 59 -11.791 -10.710 1.961 1.00 0.21 H new ATOM 0 HB2 GLU A 59 -10.049 -8.699 3.454 1.00 0.23 H new ATOM 0 HB3 GLU A 59 -11.160 -9.791 4.256 1.00 0.23 H new ATOM 0 HG2 GLU A 59 -8.933 -10.709 2.366 1.00 0.25 H new ATOM 0 HG3 GLU A 59 -8.781 -10.677 4.111 1.00 0.25 H new ATOM 919 N ILE A 60 -12.345 -7.464 2.077 1.00 0.23 N ATOM 920 CA ILE A 60 -13.434 -6.465 2.236 1.00 0.27 C ATOM 921 C ILE A 60 -14.453 -6.624 1.105 1.00 0.28 C ATOM 922 O ILE A 60 -15.647 -6.602 1.330 1.00 0.33 O ATOM 923 CB ILE A 60 -12.844 -5.054 2.198 1.00 0.28 C ATOM 924 CG1 ILE A 60 -11.920 -4.856 3.403 1.00 0.29 C ATOM 925 CG2 ILE A 60 -13.979 -4.029 2.251 1.00 0.33 C ATOM 926 CD1 ILE A 60 -11.134 -3.553 3.237 1.00 0.27 C ATOM 0 H ILE A 60 -11.439 -7.080 1.807 1.00 0.23 H new ATOM 0 HA ILE A 60 -13.931 -6.626 3.193 1.00 0.27 H new ATOM 0 HB ILE A 60 -12.275 -4.920 1.278 1.00 0.28 H new ATOM 0 HG12 ILE A 60 -12.505 -4.825 4.322 1.00 0.29 H new ATOM 0 HG13 ILE A 60 -11.234 -5.698 3.490 1.00 0.29 H new ATOM 0 HG21 ILE A 60 -13.562 -3.022 2.224 1.00 0.33 H new ATOM 0 HG22 ILE A 60 -14.638 -4.172 1.395 1.00 0.33 H new ATOM 0 HG23 ILE A 60 -14.547 -4.162 3.172 1.00 0.33 H new ATOM 0 HD11 ILE A 60 -10.477 -3.413 4.095 1.00 0.27 H new ATOM 0 HD12 ILE A 60 -10.537 -3.602 2.326 1.00 0.27 H new ATOM 0 HD13 ILE A 60 -11.828 -2.715 3.171 1.00 0.27 H new ATOM 938 N LEU A 61 -13.997 -6.789 -0.107 1.00 0.25 N ATOM 939 CA LEU A 61 -14.951 -6.955 -1.241 1.00 0.30 C ATOM 940 C LEU A 61 -15.655 -8.309 -1.117 1.00 0.33 C ATOM 941 O LEU A 61 -16.836 -8.428 -1.370 1.00 0.46 O ATOM 942 CB LEU A 61 -14.202 -6.882 -2.583 1.00 0.29 C ATOM 943 CG LEU A 61 -13.698 -5.454 -2.864 1.00 0.32 C ATOM 944 CD1 LEU A 61 -12.978 -5.447 -4.218 1.00 1.15 C ATOM 945 CD2 LEU A 61 -14.874 -4.454 -2.903 1.00 1.27 C ATOM 0 H LEU A 61 -13.009 -6.816 -0.361 1.00 0.25 H new ATOM 0 HA LEU A 61 -15.688 -6.153 -1.207 1.00 0.30 H new ATOM 0 HB2 LEU A 61 -13.358 -7.572 -2.569 1.00 0.29 H new ATOM 0 HB3 LEU A 61 -14.863 -7.202 -3.389 1.00 0.29 H new ATOM 0 HG LEU A 61 -13.018 -5.152 -2.067 1.00 0.32 H new ATOM 0 HD11 LEU A 61 -12.615 -4.442 -4.432 1.00 1.15 H new ATOM 0 HD12 LEU A 61 -12.136 -6.138 -4.186 1.00 1.15 H new ATOM 0 HD13 LEU A 61 -13.671 -5.756 -5.000 1.00 1.15 H new ATOM 0 HD21 LEU A 61 -14.493 -3.452 -3.103 1.00 1.27 H new ATOM 0 HD22 LEU A 61 -15.570 -4.742 -3.691 1.00 1.27 H new ATOM 0 HD23 LEU A 61 -15.390 -4.461 -1.943 1.00 1.27 H new ATOM 957 N ALA A 62 -14.939 -9.328 -0.732 1.00 0.28 N ATOM 958 CA ALA A 62 -15.568 -10.673 -0.594 1.00 0.32 C ATOM 959 C ALA A 62 -16.582 -10.653 0.553 1.00 0.37 C ATOM 960 O ALA A 62 -17.535 -11.407 0.564 1.00 0.48 O ATOM 961 CB ALA A 62 -14.488 -11.714 -0.294 1.00 0.31 C ATOM 0 H ALA A 62 -13.945 -9.289 -0.507 1.00 0.28 H new ATOM 0 HA ALA A 62 -16.076 -10.929 -1.524 1.00 0.32 H new ATOM 0 HB1 ALA A 62 -14.948 -12.697 -0.193 1.00 0.31 H new ATOM 0 HB2 ALA A 62 -13.765 -11.734 -1.110 1.00 0.31 H new ATOM 0 HB3 ALA A 62 -13.980 -11.454 0.635 1.00 0.31 H new ATOM 967 N ALA A 63 -16.380 -9.804 1.523 1.00 0.41 N ATOM 968 CA ALA A 63 -17.326 -9.745 2.672 1.00 0.50 C ATOM 969 C ALA A 63 -18.732 -9.398 2.175 1.00 0.70 C ATOM 970 O ALA A 63 -19.714 -9.952 2.629 1.00 1.15 O ATOM 971 CB ALA A 63 -16.859 -8.674 3.660 1.00 0.72 C ATOM 0 H ALA A 63 -15.600 -9.148 1.569 1.00 0.41 H new ATOM 0 HA ALA A 63 -17.350 -10.717 3.165 1.00 0.50 H new ATOM 0 HB1 ALA A 63 -17.550 -8.629 4.502 1.00 0.72 H new ATOM 0 HB2 ALA A 63 -15.862 -8.923 4.022 1.00 0.72 H new ATOM 0 HB3 ALA A 63 -16.832 -7.705 3.161 1.00 0.72 H new ATOM 977 N LEU A 64 -18.843 -8.487 1.247 1.00 0.59 N ATOM 978 CA LEU A 64 -20.191 -8.115 0.731 1.00 0.85 C ATOM 979 C LEU A 64 -20.755 -9.284 -0.097 1.00 1.41 C ATOM 980 O LEU A 64 -20.001 -10.024 -0.699 1.00 1.62 O ATOM 981 CB LEU A 64 -20.063 -6.872 -0.158 1.00 0.65 C ATOM 982 CG LEU A 64 -19.734 -5.638 0.700 1.00 0.53 C ATOM 983 CD1 LEU A 64 -19.223 -4.515 -0.206 1.00 0.68 C ATOM 984 CD2 LEU A 64 -20.987 -5.154 1.455 1.00 0.84 C ATOM 0 H LEU A 64 -18.061 -7.986 0.825 1.00 0.59 H new ATOM 0 HA LEU A 64 -20.862 -7.901 1.563 1.00 0.85 H new ATOM 0 HB2 LEU A 64 -19.281 -7.026 -0.901 1.00 0.65 H new ATOM 0 HB3 LEU A 64 -20.993 -6.708 -0.703 1.00 0.65 H new ATOM 0 HG LEU A 64 -18.969 -5.909 1.428 1.00 0.53 H new ATOM 0 HD11 LEU A 64 -18.989 -3.638 0.398 1.00 0.68 H new ATOM 0 HD12 LEU A 64 -18.325 -4.848 -0.727 1.00 0.68 H new ATOM 0 HD13 LEU A 64 -19.991 -4.258 -0.936 1.00 0.68 H new ATOM 0 HD21 LEU A 64 -20.735 -4.281 2.056 1.00 0.84 H new ATOM 0 HD22 LEU A 64 -21.764 -4.889 0.738 1.00 0.84 H new ATOM 0 HD23 LEU A 64 -21.350 -5.950 2.105 1.00 0.84 H new ATOM 996 N PRO A 65 -22.061 -9.464 -0.146 1.00 1.85 N ATOM 997 CA PRO A 65 -22.645 -10.582 -0.944 1.00 2.43 C ATOM 998 C PRO A 65 -22.299 -10.460 -2.437 1.00 2.62 C ATOM 999 O PRO A 65 -22.441 -9.372 -2.971 1.00 2.81 O ATOM 1000 CB PRO A 65 -24.160 -10.417 -0.697 1.00 2.89 C ATOM 1001 CG PRO A 65 -24.387 -9.068 0.010 1.00 2.69 C ATOM 1002 CD PRO A 65 -23.038 -8.593 0.573 1.00 2.01 C ATOM 1003 OXT PRO A 65 -21.900 -11.457 -3.016 1.00 3.05 O ATOM 0 HA PRO A 65 -22.263 -11.561 -0.655 1.00 2.43 H new ATOM 0 HB2 PRO A 65 -24.705 -10.448 -1.641 1.00 2.89 H new ATOM 0 HB3 PRO A 65 -24.537 -11.236 -0.084 1.00 2.89 H new ATOM 0 HG2 PRO A 65 -24.788 -8.334 -0.689 1.00 2.69 H new ATOM 0 HG3 PRO A 65 -25.118 -9.176 0.812 1.00 2.69 H new ATOM 0 HD2 PRO A 65 -22.864 -7.536 0.371 1.00 2.01 H new ATOM 0 HD3 PRO A 65 -22.980 -8.725 1.653 1.00 2.01 H new TER 1011 PRO A 65