USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 762 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 24 HIS :FLIP no HD1:sc= -0.273 F(o=-4.1,f=-2.7) USER MOD Set 1.2: B 46 MET CE :methyl 158:sc= -2.48 (180deg=-3.29) USER MOD Set 2.1: B 7 LYS NZ :NH3+ 177:sc= 1.73 (180deg=0.98) USER MOD Set 2.2: B 43 ASN : amide:sc= 0.577 K(o=2.3,f=-6.2!) USER MOD Set 3.1: A 46 MET CE :methyl 171:sc= -1.47 (180deg=-1.76) USER MOD Set 3.2: B 24 HIS : no HD1:sc= -0.0184 X(o=-1.5,f=-1.8) USER MOD Set 4.1: A 13 LYS NZ :NH3+ -156:sc= 2.21 (180deg=0.878) USER MOD Set 4.2: B 13 LYS NZ :NH3+ -179:sc= 2.52 (180deg=2.45) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -137:sc= 1.3 (180deg=0.513) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 2.26 (180deg=2.15) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= -0.0432 (180deg=-0.297) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 28 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.017) USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= 1.16 (180deg=0.378) USER MOD Single : A 35 SER OG : rot -18:sc= 1.24 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= -0.0309 (180deg=-0.285) USER MOD Single : A 43 ASN : amide:sc= 0.296 K(o=0.3,f=-0.55) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 179:sc= 1.99 (180deg=1.89) USER MOD Single : B 15 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.04) USER MOD Single : B 19 GLN : amide:sc= 0.692 K(o=0.69,f=0) USER MOD Single : B 28 HIS :FLIP no HD1:sc= -0.294 F(o=-0.96,f=-0.29) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 SER OG : rot -96:sc= 1.25 USER MOD Single : B 40 LYS NZ :NH3+ 167:sc= -0.0206 (180deg=-0.226) USER MOD Single : B 44 LYS NZ :NH3+ -171:sc= -0.0137 (180deg=-0.128) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.063 -13.322 3.209 1.00 0.00 N ATOM 60 CA GLN A 5 16.685 -12.021 3.026 1.00 0.00 C ATOM 61 C GLN A 5 15.921 -11.186 2.026 1.00 0.00 C ATOM 62 O GLN A 5 15.902 -9.972 2.122 1.00 0.00 O ATOM 63 CB GLN A 5 18.151 -12.125 2.648 1.00 0.00 C ATOM 64 CG GLN A 5 18.991 -12.735 3.736 1.00 0.00 C ATOM 65 CD GLN A 5 20.458 -12.683 3.439 1.00 0.00 C ATOM 66 OE1 GLN A 5 21.135 -11.715 3.788 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.968 -13.699 2.816 1.00 0.00 N ATOM 0 HA GLN A 5 16.645 -11.516 3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.246 -12.724 1.742 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.533 -11.131 2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.797 -12.214 4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.691 -13.773 3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.373 -14.482 2.544 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.964 -13.716 2.598 1.00 0.00 H new ATOM 76 N LEU A 6 15.275 -11.848 1.087 1.00 0.00 N ATOM 77 CA LEU A 6 14.409 -11.179 0.128 1.00 0.00 C ATOM 78 C LEU A 6 13.257 -10.523 0.889 1.00 0.00 C ATOM 79 O LEU A 6 12.950 -9.345 0.691 1.00 0.00 O ATOM 80 CB LEU A 6 13.919 -12.213 -0.941 1.00 0.00 C ATOM 81 CG LEU A 6 12.912 -11.768 -2.044 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.481 -11.695 -1.521 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.327 -10.436 -2.661 1.00 0.00 C ATOM 0 H LEU A 6 15.333 -12.859 0.965 1.00 0.00 H new ATOM 0 HA LEU A 6 14.943 -10.396 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.803 -12.602 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.466 -13.046 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 6 12.936 -12.532 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.815 -11.381 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.175 -12.677 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.428 -10.975 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.607 -10.150 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.356 -9.670 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.315 -10.535 -3.111 1.00 0.00 H new ATOM 95 N LYS A 7 12.656 -11.285 1.789 1.00 0.00 N ATOM 96 CA LYS A 7 11.574 -10.789 2.615 1.00 0.00 C ATOM 97 C LYS A 7 12.118 -9.686 3.530 1.00 0.00 C ATOM 98 O LYS A 7 11.472 -8.674 3.732 1.00 0.00 O ATOM 99 CB LYS A 7 11.019 -11.921 3.473 1.00 0.00 C ATOM 100 CG LYS A 7 9.499 -12.083 3.541 1.00 0.00 C ATOM 101 CD LYS A 7 8.781 -10.989 4.351 1.00 0.00 C ATOM 102 CE LYS A 7 8.618 -9.734 3.556 1.00 0.00 C ATOM 103 NZ LYS A 7 7.567 -8.829 4.084 1.00 0.00 N ATOM 0 H LYS A 7 12.905 -12.258 1.965 1.00 0.00 H new ATOM 0 HA LYS A 7 10.780 -10.396 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.440 -12.857 3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.387 -11.783 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.100 -12.088 2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.268 -13.054 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.802 -11.351 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.348 -10.775 5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.568 -9.201 3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.377 -9.995 2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.003 -8.454 3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.948 -9.357 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.013 -8.041 4.596 1.00 0.00 H new ATOM 117 N ASN A 8 13.316 -9.900 4.046 1.00 0.00 N ATOM 118 CA ASN A 8 13.985 -8.951 4.946 1.00 0.00 C ATOM 119 C ASN A 8 14.195 -7.608 4.246 1.00 0.00 C ATOM 120 O ASN A 8 14.011 -6.548 4.841 1.00 0.00 O ATOM 121 CB ASN A 8 15.338 -9.510 5.406 1.00 0.00 C ATOM 122 CG ASN A 8 15.988 -8.682 6.499 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.313 -8.072 7.327 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.290 -8.670 6.529 1.00 0.00 N ATOM 0 H ASN A 8 13.863 -10.740 3.857 1.00 0.00 H new ATOM 0 HA ASN A 8 13.348 -8.802 5.818 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.199 -10.529 5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.011 -9.563 4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.779 -8.144 7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.821 -9.186 5.828 1.00 0.00 H new ATOM 131 N LYS A 9 14.569 -7.660 2.976 1.00 0.00 N ATOM 132 CA LYS A 9 14.731 -6.458 2.178 1.00 0.00 C ATOM 133 C LYS A 9 13.393 -5.794 1.935 1.00 0.00 C ATOM 134 O LYS A 9 13.304 -4.580 1.963 1.00 0.00 O ATOM 135 CB LYS A 9 15.464 -6.736 0.870 1.00 0.00 C ATOM 136 CG LYS A 9 16.907 -7.136 1.075 1.00 0.00 C ATOM 137 CD LYS A 9 17.615 -7.410 -0.232 1.00 0.00 C ATOM 138 CE LYS A 9 19.063 -7.752 0.025 1.00 0.00 C ATOM 139 NZ LYS A 9 19.815 -8.025 -1.209 1.00 0.00 N ATOM 0 H LYS A 9 14.766 -8.527 2.476 1.00 0.00 H new ATOM 0 HA LYS A 9 15.354 -5.767 2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.946 -7.529 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.425 -5.846 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.430 -6.343 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.950 -8.026 1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.126 -8.232 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.549 -6.536 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.537 -6.928 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.115 -8.624 0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.801 -8.254 -0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.384 -8.829 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.792 -7.185 -1.822 1.00 0.00 H new ATOM 153 N ILE A 10 12.355 -6.597 1.689 1.00 0.00 N ATOM 154 CA ILE A 10 10.989 -6.091 1.589 1.00 0.00 C ATOM 155 C ILE A 10 10.613 -5.350 2.862 1.00 0.00 C ATOM 156 O ILE A 10 10.074 -4.258 2.798 1.00 0.00 O ATOM 157 CB ILE A 10 9.985 -7.246 1.331 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.211 -7.795 -0.054 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.535 -6.790 1.500 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.414 -9.012 -0.393 1.00 0.00 C ATOM 0 H ILE A 10 12.438 -7.605 1.555 1.00 0.00 H new ATOM 0 HA ILE A 10 10.942 -5.403 0.745 1.00 0.00 H new ATOM 0 HB ILE A 10 10.159 -8.027 2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.979 -7.015 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.269 -8.030 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.865 -7.629 1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.384 -6.428 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.321 -5.988 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.648 -9.329 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.661 -9.814 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.351 -8.783 -0.320 1.00 0.00 H new ATOM 172 N GLU A 11 10.934 -5.945 3.999 1.00 0.00 N ATOM 173 CA GLU A 11 10.702 -5.337 5.303 1.00 0.00 C ATOM 174 C GLU A 11 11.407 -4.004 5.375 1.00 0.00 C ATOM 175 O GLU A 11 10.791 -2.981 5.643 1.00 0.00 O ATOM 176 CB GLU A 11 11.224 -6.255 6.411 1.00 0.00 C ATOM 177 CG GLU A 11 10.522 -7.592 6.479 1.00 0.00 C ATOM 178 CD GLU A 11 9.078 -7.450 6.829 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.258 -7.139 5.951 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.735 -7.632 7.991 1.00 0.00 O ATOM 0 H GLU A 11 11.365 -6.868 4.046 1.00 0.00 H new ATOM 0 HA GLU A 11 9.631 -5.189 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.290 -6.423 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.115 -5.749 7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.614 -8.099 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.014 -8.222 7.220 1.00 0.00 H new ATOM 187 N ASN A 12 12.682 -4.029 5.059 1.00 0.00 N ATOM 188 CA ASN A 12 13.534 -2.851 5.079 1.00 0.00 C ATOM 189 C ASN A 12 12.990 -1.759 4.153 1.00 0.00 C ATOM 190 O ASN A 12 12.902 -0.596 4.542 1.00 0.00 O ATOM 191 CB ASN A 12 14.950 -3.239 4.640 1.00 0.00 C ATOM 192 CG ASN A 12 15.961 -2.119 4.786 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.603 -1.984 5.829 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.125 -1.321 3.772 1.00 0.00 N ATOM 0 H ASN A 12 13.168 -4.880 4.776 1.00 0.00 H new ATOM 0 HA ASN A 12 13.553 -2.457 6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.282 -4.095 5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.923 -3.559 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.800 -0.558 3.827 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.579 -1.458 2.922 1.00 0.00 H new ATOM 201 N LYS A 13 12.605 -2.158 2.953 1.00 0.00 N ATOM 202 CA LYS A 13 12.122 -1.253 1.917 1.00 0.00 C ATOM 203 C LYS A 13 10.769 -0.643 2.308 1.00 0.00 C ATOM 204 O LYS A 13 10.541 0.555 2.127 1.00 0.00 O ATOM 205 CB LYS A 13 12.019 -2.010 0.576 1.00 0.00 C ATOM 206 CG LYS A 13 11.807 -1.122 -0.642 1.00 0.00 C ATOM 207 CD LYS A 13 12.930 -0.121 -0.805 1.00 0.00 C ATOM 208 CE LYS A 13 14.282 -0.769 -0.997 1.00 0.00 C ATOM 209 NZ LYS A 13 15.344 0.247 -1.080 1.00 0.00 N ATOM 0 H LYS A 13 12.618 -3.136 2.664 1.00 0.00 H new ATOM 0 HA LYS A 13 12.831 -0.433 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.930 -2.590 0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.195 -2.721 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.738 -1.741 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.859 -0.593 -0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.716 0.519 -1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.964 0.523 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.486 -1.447 -0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.276 -1.370 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.158 -0.143 -1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.984 1.085 -1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.641 0.518 -0.121 1.00 0.00 H new ATOM 223 N LYS A 14 9.900 -1.487 2.832 1.00 0.00 N ATOM 224 CA LYS A 14 8.600 -1.124 3.360 1.00 0.00 C ATOM 225 C LYS A 14 8.784 -0.041 4.419 1.00 0.00 C ATOM 226 O LYS A 14 8.157 1.004 4.363 1.00 0.00 O ATOM 227 CB LYS A 14 8.000 -2.390 3.997 1.00 0.00 C ATOM 228 CG LYS A 14 6.626 -2.267 4.632 1.00 0.00 C ATOM 229 CD LYS A 14 6.237 -3.580 5.321 1.00 0.00 C ATOM 230 CE LYS A 14 7.011 -3.770 6.613 1.00 0.00 C ATOM 231 NZ LYS A 14 6.846 -5.121 7.202 1.00 0.00 N ATOM 0 H LYS A 14 10.090 -2.487 2.904 1.00 0.00 H new ATOM 0 HA LYS A 14 7.941 -0.743 2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.949 -3.162 3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.693 -2.745 4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.625 -1.454 5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.888 -2.016 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.167 -3.581 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.431 -4.417 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.069 -3.590 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.685 -3.023 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.412 -5.192 8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.843 -5.281 7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.167 -5.838 6.521 1.00 0.00 H new ATOM 245 N LYS A 15 9.697 -0.298 5.348 1.00 0.00 N ATOM 246 CA LYS A 15 9.999 0.620 6.437 1.00 0.00 C ATOM 247 C LYS A 15 10.589 1.923 5.911 1.00 0.00 C ATOM 248 O LYS A 15 10.230 2.995 6.392 1.00 0.00 O ATOM 249 CB LYS A 15 10.920 -0.044 7.461 1.00 0.00 C ATOM 250 CG LYS A 15 10.307 -1.293 8.091 1.00 0.00 C ATOM 251 CD LYS A 15 11.283 -2.031 8.998 1.00 0.00 C ATOM 252 CE LYS A 15 11.592 -1.253 10.265 1.00 0.00 C ATOM 253 NZ LYS A 15 10.390 -1.063 11.103 1.00 0.00 N ATOM 0 H LYS A 15 10.251 -1.154 5.366 1.00 0.00 H new ATOM 0 HA LYS A 15 9.066 0.870 6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.860 -0.311 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.158 0.673 8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.425 -1.010 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.970 -1.966 7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.866 -3.002 9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.209 -2.219 8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.354 -1.781 10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.008 -0.281 10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.676 -0.778 12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.790 -0.323 10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.856 -1.954 11.152 1.00 0.00 H new ATOM 267 N GLU A 16 11.471 1.822 4.896 1.00 0.00 N ATOM 268 CA GLU A 16 12.028 3.008 4.233 1.00 0.00 C ATOM 269 C GLU A 16 10.894 3.884 3.717 1.00 0.00 C ATOM 270 O GLU A 16 10.891 5.100 3.899 1.00 0.00 O ATOM 271 CB GLU A 16 12.917 2.633 3.026 1.00 0.00 C ATOM 272 CG GLU A 16 14.261 1.989 3.318 1.00 0.00 C ATOM 273 CD GLU A 16 15.019 1.710 2.025 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.372 2.677 1.309 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.255 0.537 1.684 1.00 0.00 O ATOM 0 H GLU A 16 11.808 0.935 4.523 1.00 0.00 H new ATOM 0 HA GLU A 16 12.634 3.533 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.350 1.954 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.097 3.539 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.852 2.644 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.112 1.059 3.866 1.00 0.00 H new ATOM 282 N LEU A 17 9.928 3.238 3.099 1.00 0.00 N ATOM 283 CA LEU A 17 8.793 3.900 2.510 1.00 0.00 C ATOM 284 C LEU A 17 7.898 4.519 3.556 1.00 0.00 C ATOM 285 O LEU A 17 7.423 5.651 3.368 1.00 0.00 O ATOM 286 CB LEU A 17 8.036 2.921 1.570 1.00 0.00 C ATOM 287 CG LEU A 17 6.633 3.300 1.062 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.573 3.041 2.091 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.581 4.718 0.511 1.00 0.00 C ATOM 0 H LEU A 17 9.913 2.224 2.992 1.00 0.00 H new ATOM 0 HA LEU A 17 9.150 4.731 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.666 2.752 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.950 1.967 2.091 1.00 0.00 H new ATOM 0 HG LEU A 17 6.414 2.641 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.600 3.323 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.567 1.982 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.781 3.630 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.571 4.937 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.858 5.423 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.277 4.810 -0.322 1.00 0.00 H new ATOM 301 N ILE A 18 7.651 3.797 4.635 1.00 0.00 N ATOM 302 CA ILE A 18 6.788 4.300 5.685 1.00 0.00 C ATOM 303 C ILE A 18 7.349 5.610 6.198 1.00 0.00 C ATOM 304 O ILE A 18 6.615 6.551 6.422 1.00 0.00 O ATOM 305 CB ILE A 18 6.624 3.302 6.864 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.063 1.983 6.343 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.683 3.894 7.942 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.167 0.836 7.314 1.00 0.00 C ATOM 0 H ILE A 18 8.034 2.867 4.805 1.00 0.00 H new ATOM 0 HA ILE A 18 5.797 4.444 5.255 1.00 0.00 H new ATOM 0 HB ILE A 18 7.599 3.123 7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.015 2.127 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.588 1.716 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.577 3.184 8.762 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.104 4.826 8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.705 4.090 7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.745 -0.062 6.863 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.214 0.661 7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.617 1.078 8.223 1.00 0.00 H new ATOM 320 N GLN A 19 8.665 5.671 6.309 1.00 0.00 N ATOM 321 CA GLN A 19 9.340 6.875 6.727 1.00 0.00 C ATOM 322 C GLN A 19 9.093 8.016 5.738 1.00 0.00 C ATOM 323 O GLN A 19 8.840 9.150 6.160 1.00 0.00 O ATOM 324 CB GLN A 19 10.825 6.638 6.919 1.00 0.00 C ATOM 325 CG GLN A 19 11.132 5.584 7.961 1.00 0.00 C ATOM 326 CD GLN A 19 12.604 5.436 8.241 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.454 5.673 7.375 1.00 0.00 O ATOM 328 NE2 GLN A 19 12.923 5.022 9.436 1.00 0.00 N ATOM 0 H GLN A 19 9.288 4.888 6.112 1.00 0.00 H new ATOM 0 HA GLN A 19 8.923 7.167 7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.264 6.338 5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.301 7.575 7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.616 5.837 8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.734 4.626 7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.193 4.837 10.124 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.903 4.883 9.683 1.00 0.00 H new ATOM 337 N LEU A 20 9.125 7.719 4.426 1.00 0.00 N ATOM 338 CA LEU A 20 8.828 8.748 3.432 1.00 0.00 C ATOM 339 C LEU A 20 7.396 9.268 3.566 1.00 0.00 C ATOM 340 O LEU A 20 7.187 10.480 3.605 1.00 0.00 O ATOM 341 CB LEU A 20 9.104 8.377 1.948 1.00 0.00 C ATOM 342 CG LEU A 20 10.556 8.279 1.427 1.00 0.00 C ATOM 343 CD1 LEU A 20 11.515 9.237 2.106 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.074 6.864 1.348 1.00 0.00 C ATOM 0 H LEU A 20 9.348 6.800 4.044 1.00 0.00 H new ATOM 0 HA LEU A 20 9.548 9.530 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.628 7.414 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.588 9.112 1.330 1.00 0.00 H new ATOM 0 HG LEU A 20 10.504 8.621 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.513 9.110 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.181 10.262 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.540 9.029 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.098 6.872 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.053 6.413 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.446 6.284 0.672 1.00 0.00 H new ATOM 356 N VAL A 21 6.391 8.380 3.631 1.00 0.00 N ATOM 357 CA VAL A 21 5.043 8.863 3.793 1.00 0.00 C ATOM 358 C VAL A 21 4.833 9.534 5.178 1.00 0.00 C ATOM 359 O VAL A 21 4.082 10.491 5.302 1.00 0.00 O ATOM 360 CB VAL A 21 3.987 7.762 3.561 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.265 6.973 2.323 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.783 6.867 4.741 1.00 0.00 C ATOM 0 H VAL A 21 6.494 7.367 3.575 1.00 0.00 H new ATOM 0 HA VAL A 21 4.901 9.620 3.021 1.00 0.00 H new ATOM 0 HB VAL A 21 3.045 8.292 3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.497 6.209 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.259 7.638 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.241 6.496 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.027 6.119 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.721 6.370 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.452 7.459 5.594 1.00 0.00 H new ATOM 372 N ALA A 22 5.532 9.055 6.191 1.00 0.00 N ATOM 373 CA ALA A 22 5.388 9.575 7.536 1.00 0.00 C ATOM 374 C ALA A 22 5.892 10.998 7.646 1.00 0.00 C ATOM 375 O ALA A 22 5.307 11.823 8.350 1.00 0.00 O ATOM 376 CB ALA A 22 6.088 8.678 8.522 1.00 0.00 C ATOM 0 H ALA A 22 6.211 8.299 6.104 1.00 0.00 H new ATOM 0 HA ALA A 22 4.324 9.592 7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.971 9.082 9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.652 7.680 8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.148 8.622 8.274 1.00 0.00 H new ATOM 382 N ARG A 23 6.957 11.295 6.937 1.00 0.00 N ATOM 383 CA ARG A 23 7.515 12.634 6.941 1.00 0.00 C ATOM 384 C ARG A 23 6.676 13.584 6.099 1.00 0.00 C ATOM 385 O ARG A 23 6.789 14.789 6.240 1.00 0.00 O ATOM 386 CB ARG A 23 8.985 12.647 6.522 1.00 0.00 C ATOM 387 CG ARG A 23 9.243 12.122 5.135 1.00 0.00 C ATOM 388 CD ARG A 23 10.717 12.024 4.840 1.00 0.00 C ATOM 389 NE ARG A 23 11.373 13.332 4.727 1.00 0.00 N ATOM 390 CZ ARG A 23 12.677 13.537 4.967 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.369 12.659 5.705 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.261 14.656 4.559 1.00 0.00 N ATOM 0 H ARG A 23 7.457 10.629 6.348 1.00 0.00 H new ATOM 0 HA ARG A 23 7.483 12.994 7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.359 13.669 6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.558 12.053 7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.784 11.139 5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.769 12.777 4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.201 11.449 5.629 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.859 11.472 3.911 1.00 0.00 H new ATOM 0 HE ARG A 23 10.804 14.132 4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.905 11.834 6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.360 12.815 5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.719 15.362 4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.252 14.810 4.742 1.00 0.00 H new ATOM 406 N HIS A 24 5.846 13.023 5.211 1.00 0.00 N ATOM 407 CA HIS A 24 4.924 13.819 4.394 1.00 0.00 C ATOM 408 C HIS A 24 4.019 14.660 5.289 1.00 0.00 C ATOM 409 O HIS A 24 3.847 15.855 5.070 1.00 0.00 O ATOM 410 CB HIS A 24 4.056 12.913 3.482 1.00 0.00 C ATOM 411 CG HIS A 24 2.995 13.667 2.702 1.00 0.00 C ATOM 412 ND1 HIS A 24 3.065 14.236 1.484 1.00 0.00 N flip ATOM 413 CD2 HIS A 24 1.711 13.924 3.159 1.00 0.00 C flip ATOM 414 CE1 HIS A 24 1.855 14.839 1.180 1.00 0.00 C flip ATOM 415 NE2 HIS A 24 1.078 14.624 2.216 1.00 0.00 N flip ATOM 0 H HIS A 24 5.795 12.019 5.040 1.00 0.00 H new ATOM 0 HA HIS A 24 5.521 14.475 3.761 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.706 12.390 2.781 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.572 12.153 4.095 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.298 13.613 4.107 1.00 0.00 H new ATOM 0 HE1 HIS A 24 1.603 15.375 0.277 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.114 14.950 2.290 1.00 0.00 H new ATOM 423 N GLY A 25 3.470 14.041 6.302 1.00 0.00 N ATOM 424 CA GLY A 25 2.575 14.761 7.160 1.00 0.00 C ATOM 425 C GLY A 25 1.599 13.881 7.879 1.00 0.00 C ATOM 426 O GLY A 25 0.660 14.380 8.503 1.00 0.00 O ATOM 0 H GLY A 25 3.624 13.063 6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.157 15.319 7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.025 15.492 6.567 1.00 0.00 H new ATOM 430 N LEU A 26 1.762 12.576 7.748 1.00 0.00 N ATOM 431 CA LEU A 26 0.983 11.631 8.484 1.00 0.00 C ATOM 432 C LEU A 26 1.073 11.845 9.967 1.00 0.00 C ATOM 433 O LEU A 26 2.142 12.155 10.515 1.00 0.00 O ATOM 434 CB LEU A 26 1.397 10.218 8.155 1.00 0.00 C ATOM 435 CG LEU A 26 0.729 9.594 6.951 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.038 10.296 5.657 1.00 0.00 C ATOM 437 CD2 LEU A 26 1.022 8.127 6.884 1.00 0.00 C ATOM 0 H LEU A 26 2.446 12.153 7.121 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.053 11.787 8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.475 10.205 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.196 9.590 9.023 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.345 9.722 7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.524 9.792 4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.701 11.331 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.113 10.274 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.532 7.698 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.099 7.974 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.649 7.640 7.785 1.00 0.00 H new ATOM 449 N ASP A 27 -0.054 11.689 10.593 1.00 0.00 N ATOM 450 CA ASP A 27 -0.184 11.816 12.028 1.00 0.00 C ATOM 451 C ASP A 27 0.440 10.582 12.660 1.00 0.00 C ATOM 452 O ASP A 27 0.738 9.605 11.956 1.00 0.00 O ATOM 453 CB ASP A 27 -1.668 11.888 12.431 1.00 0.00 C ATOM 454 CG ASP A 27 -2.469 12.923 11.666 1.00 0.00 C ATOM 455 OD1 ASP A 27 -2.826 12.666 10.488 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.780 13.997 12.221 1.00 0.00 O ATOM 0 H ASP A 27 -0.930 11.466 10.120 1.00 0.00 H new ATOM 0 HA ASP A 27 0.311 12.727 12.364 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.122 10.909 12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.734 12.109 13.496 1.00 0.00 H new ATOM 461 N HIS A 28 0.583 10.588 13.961 1.00 0.00 N ATOM 462 CA HIS A 28 1.233 9.483 14.683 1.00 0.00 C ATOM 463 C HIS A 28 0.468 8.172 14.446 1.00 0.00 C ATOM 464 O HIS A 28 1.062 7.124 14.108 1.00 0.00 O ATOM 465 CB HIS A 28 1.285 9.780 16.197 1.00 0.00 C ATOM 466 CG HIS A 28 1.933 11.079 16.570 1.00 0.00 C ATOM 467 ND1 HIS A 28 1.264 12.124 17.176 1.00 0.00 N ATOM 468 CD2 HIS A 28 3.214 11.481 16.448 1.00 0.00 C ATOM 469 CE1 HIS A 28 2.133 13.105 17.396 1.00 0.00 C ATOM 470 NE2 HIS A 28 3.340 12.769 16.974 1.00 0.00 N ATOM 0 H HIS A 28 0.260 11.346 14.562 1.00 0.00 H new ATOM 0 HA HIS A 28 2.251 9.382 14.306 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.267 9.775 16.587 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.820 8.970 16.692 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.014 10.900 16.013 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.886 14.050 17.858 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.188 13.334 17.022 1.00 0.00 H new ATOM 478 N ASP A 29 -0.847 8.253 14.588 1.00 0.00 N ATOM 479 CA ASP A 29 -1.750 7.110 14.404 1.00 0.00 C ATOM 480 C ASP A 29 -1.707 6.629 12.971 1.00 0.00 C ATOM 481 O ASP A 29 -1.777 5.435 12.702 1.00 0.00 O ATOM 482 CB ASP A 29 -3.205 7.476 14.774 1.00 0.00 C ATOM 483 CG ASP A 29 -3.849 8.500 13.843 1.00 0.00 C ATOM 484 OD1 ASP A 29 -3.574 9.709 13.983 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.652 8.115 12.968 1.00 0.00 O ATOM 0 H ASP A 29 -1.328 9.118 14.836 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.410 6.315 15.068 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.808 6.568 14.770 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.222 7.866 15.792 1.00 0.00 H new ATOM 490 N LYS A 30 -1.538 7.568 12.067 1.00 0.00 N ATOM 491 CA LYS A 30 -1.503 7.290 10.647 1.00 0.00 C ATOM 492 C LYS A 30 -0.333 6.430 10.285 1.00 0.00 C ATOM 493 O LYS A 30 -0.489 5.476 9.550 1.00 0.00 O ATOM 494 CB LYS A 30 -1.493 8.577 9.831 1.00 0.00 C ATOM 495 CG LYS A 30 -2.759 9.391 9.943 1.00 0.00 C ATOM 496 CD LYS A 30 -3.964 8.635 9.428 1.00 0.00 C ATOM 497 CE LYS A 30 -5.227 9.435 9.632 1.00 0.00 C ATOM 498 NZ LYS A 30 -5.431 9.771 11.060 1.00 0.00 N ATOM 0 H LYS A 30 -1.420 8.555 12.298 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.412 6.740 10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.651 9.190 10.151 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.326 8.328 8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.922 9.667 10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.645 10.318 9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.835 8.415 8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.047 7.679 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.177 10.352 9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.082 8.867 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.447 9.743 11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.928 9.082 11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.062 10.725 11.248 1.00 0.00 H new ATOM 512 N VAL A 31 0.825 6.744 10.835 1.00 0.00 N ATOM 513 CA VAL A 31 2.028 5.982 10.564 1.00 0.00 C ATOM 514 C VAL A 31 1.832 4.538 11.025 1.00 0.00 C ATOM 515 O VAL A 31 2.195 3.591 10.316 1.00 0.00 O ATOM 516 CB VAL A 31 3.266 6.603 11.267 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.543 5.851 10.917 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.395 8.078 10.919 1.00 0.00 C ATOM 0 H VAL A 31 0.957 7.526 11.476 1.00 0.00 H new ATOM 0 HA VAL A 31 2.212 6.004 9.490 1.00 0.00 H new ATOM 0 HB VAL A 31 3.117 6.513 12.343 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.389 6.313 11.426 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.452 4.812 11.234 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.704 5.889 9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.268 8.495 11.421 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.509 8.189 9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.501 8.608 11.246 1.00 0.00 H new ATOM 528 N LEU A 32 1.188 4.379 12.181 1.00 0.00 N ATOM 529 CA LEU A 32 0.930 3.058 12.729 1.00 0.00 C ATOM 530 C LEU A 32 -0.019 2.297 11.836 1.00 0.00 C ATOM 531 O LEU A 32 0.313 1.219 11.347 1.00 0.00 O ATOM 532 CB LEU A 32 0.318 3.153 14.121 1.00 0.00 C ATOM 533 CG LEU A 32 1.106 3.926 15.161 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.409 3.849 16.500 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.536 3.417 15.255 1.00 0.00 C ATOM 0 H LEU A 32 0.838 5.149 12.751 1.00 0.00 H new ATOM 0 HA LEU A 32 1.885 2.535 12.791 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.666 3.612 14.029 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.164 2.141 14.494 1.00 0.00 H new ATOM 0 HG LEU A 32 1.153 4.971 14.855 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.982 4.407 17.241 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.590 4.278 16.416 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.332 2.807 16.811 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.077 3.990 16.008 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.530 2.364 15.535 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.028 3.533 14.289 1.00 0.00 H new ATOM 547 N LEU A 33 -1.160 2.897 11.560 1.00 0.00 N ATOM 548 CA LEU A 33 -2.203 2.266 10.760 1.00 0.00 C ATOM 549 C LEU A 33 -1.706 1.945 9.372 1.00 0.00 C ATOM 550 O LEU A 33 -1.989 0.869 8.843 1.00 0.00 O ATOM 551 CB LEU A 33 -3.442 3.151 10.687 1.00 0.00 C ATOM 552 CG LEU A 33 -4.101 3.486 12.021 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.268 4.424 11.808 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.552 2.220 12.736 1.00 0.00 C ATOM 0 H LEU A 33 -1.395 3.836 11.882 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.474 1.331 11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.170 4.084 10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.179 2.659 10.053 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.366 3.985 12.652 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.729 4.655 12.768 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.915 5.345 11.344 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.003 3.949 11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.019 2.485 13.685 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.271 1.687 12.114 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.689 1.580 12.922 1.00 0.00 H new ATOM 566 N PHE A 34 -0.937 2.857 8.806 1.00 0.00 N ATOM 567 CA PHE A 34 -0.370 2.663 7.503 1.00 0.00 C ATOM 568 C PHE A 34 0.573 1.477 7.506 1.00 0.00 C ATOM 569 O PHE A 34 0.429 0.589 6.687 1.00 0.00 O ATOM 570 CB PHE A 34 0.340 3.926 7.001 1.00 0.00 C ATOM 571 CG PHE A 34 0.982 3.749 5.664 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.216 3.718 4.511 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.350 3.593 5.559 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.806 3.530 3.286 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.941 3.410 4.340 1.00 0.00 C ATOM 576 CZ PHE A 34 2.173 3.377 3.205 1.00 0.00 C ATOM 0 H PHE A 34 -0.694 3.746 9.242 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.187 2.454 6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.380 4.742 6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.100 4.220 7.725 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.855 3.843 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.960 3.616 6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.202 3.502 2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.012 3.292 4.271 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.641 3.230 2.243 1.00 0.00 H new ATOM 586 N SER A 35 1.506 1.439 8.462 1.00 0.00 N ATOM 587 CA SER A 35 2.471 0.355 8.527 1.00 0.00 C ATOM 588 C SER A 35 1.778 -1.008 8.692 1.00 0.00 C ATOM 589 O SER A 35 2.188 -2.000 8.085 1.00 0.00 O ATOM 590 CB SER A 35 3.512 0.607 9.642 1.00 0.00 C ATOM 591 OG SER A 35 2.925 0.698 10.937 1.00 0.00 O ATOM 0 H SER A 35 1.608 2.143 9.193 1.00 0.00 H new ATOM 0 HA SER A 35 3.006 0.327 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.245 -0.199 9.637 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.051 1.530 9.427 1.00 0.00 H new ATOM 0 HG SER A 35 1.963 0.863 10.849 1.00 0.00 H new ATOM 597 N ARG A 36 0.704 -1.019 9.465 1.00 0.00 N ATOM 598 CA ARG A 36 -0.077 -2.220 9.732 1.00 0.00 C ATOM 599 C ARG A 36 -0.775 -2.707 8.475 1.00 0.00 C ATOM 600 O ARG A 36 -0.653 -3.878 8.097 1.00 0.00 O ATOM 601 CB ARG A 36 -1.111 -1.918 10.827 1.00 0.00 C ATOM 602 CG ARG A 36 -0.481 -1.599 12.162 1.00 0.00 C ATOM 603 CD ARG A 36 -1.461 -0.979 13.159 1.00 0.00 C ATOM 604 NE ARG A 36 -2.687 -1.759 13.329 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.363 -1.919 14.475 1.00 0.00 C ATOM 606 NH1 ARG A 36 -2.859 -1.494 15.631 1.00 0.00 N ATOM 607 NH2 ARG A 36 -4.543 -2.515 14.454 1.00 0.00 N ATOM 0 H ARG A 36 0.345 -0.186 9.931 1.00 0.00 H new ATOM 0 HA ARG A 36 0.596 -3.009 10.068 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.729 -1.077 10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.774 -2.776 10.940 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.068 -2.513 12.589 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.353 -0.914 12.008 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.968 -0.876 14.126 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.721 0.025 12.825 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.061 -2.223 12.501 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.946 -1.039 15.653 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.386 -1.623 16.495 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.931 -2.848 13.571 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.066 -2.642 15.321 1.00 0.00 H new ATOM 621 N ASP A 37 -1.464 -1.794 7.814 1.00 0.00 N ATOM 622 CA ASP A 37 -2.258 -2.114 6.627 1.00 0.00 C ATOM 623 C ASP A 37 -1.341 -2.477 5.472 1.00 0.00 C ATOM 624 O ASP A 37 -1.589 -3.438 4.747 1.00 0.00 O ATOM 625 CB ASP A 37 -3.125 -0.916 6.258 1.00 0.00 C ATOM 626 CG ASP A 37 -4.310 -1.270 5.355 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.126 -1.582 4.170 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.478 -1.250 5.849 1.00 0.00 O ATOM 0 H ASP A 37 -1.493 -0.810 8.079 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.902 -2.967 6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.500 -0.455 7.172 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.507 -0.172 5.756 1.00 0.00 H new ATOM 633 N LEU A 38 -0.263 -1.719 5.337 1.00 0.00 N ATOM 634 CA LEU A 38 0.761 -1.947 4.321 1.00 0.00 C ATOM 635 C LEU A 38 1.360 -3.336 4.461 1.00 0.00 C ATOM 636 O LEU A 38 1.441 -4.082 3.492 1.00 0.00 O ATOM 637 CB LEU A 38 1.854 -0.864 4.437 1.00 0.00 C ATOM 638 CG LEU A 38 3.175 -1.087 3.688 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.965 -1.275 2.209 1.00 0.00 C ATOM 640 CD2 LEU A 38 4.110 0.070 3.935 1.00 0.00 C ATOM 0 H LEU A 38 -0.070 -0.917 5.937 1.00 0.00 H new ATOM 0 HA LEU A 38 0.302 -1.883 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.429 0.078 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.087 -0.738 5.494 1.00 0.00 H new ATOM 0 HG LEU A 38 3.618 -2.005 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.928 -1.429 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.329 -2.144 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.486 -0.388 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.045 -0.097 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.649 0.992 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.313 0.152 5.003 1.00 0.00 H new ATOM 652 N ASP A 39 1.739 -3.683 5.672 1.00 0.00 N ATOM 653 CA ASP A 39 2.341 -4.985 5.954 1.00 0.00 C ATOM 654 C ASP A 39 1.363 -6.095 5.617 1.00 0.00 C ATOM 655 O ASP A 39 1.721 -7.069 4.967 1.00 0.00 O ATOM 656 CB ASP A 39 2.756 -5.064 7.421 1.00 0.00 C ATOM 657 CG ASP A 39 3.434 -6.364 7.797 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.630 -6.551 7.456 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.797 -7.203 8.464 1.00 0.00 O ATOM 0 H ASP A 39 1.643 -3.081 6.490 1.00 0.00 H new ATOM 0 HA ASP A 39 3.230 -5.107 5.335 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.430 -4.237 7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.873 -4.932 8.046 1.00 0.00 H new ATOM 664 N LYS A 40 0.114 -5.895 6.006 1.00 0.00 N ATOM 665 CA LYS A 40 -0.952 -6.805 5.772 1.00 0.00 C ATOM 666 C LYS A 40 -1.206 -6.979 4.266 1.00 0.00 C ATOM 667 O LYS A 40 -1.450 -8.090 3.790 1.00 0.00 O ATOM 668 CB LYS A 40 -2.164 -6.233 6.453 1.00 0.00 C ATOM 669 CG LYS A 40 -3.324 -7.149 6.503 1.00 0.00 C ATOM 670 CD LYS A 40 -4.477 -6.535 7.278 1.00 0.00 C ATOM 671 CE LYS A 40 -5.654 -7.491 7.411 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.285 -8.736 8.126 1.00 0.00 N ATOM 0 H LYS A 40 -0.177 -5.058 6.511 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.711 -7.792 6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.895 -5.951 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.459 -5.320 5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.648 -7.384 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.029 -8.089 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.132 -6.246 8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.805 -5.624 6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.465 -6.995 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.031 -7.741 6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.148 -9.246 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.712 -9.338 7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.736 -8.498 8.977 1.00 0.00 H new ATOM 686 N LEU A 41 -1.126 -5.882 3.533 1.00 0.00 N ATOM 687 CA LEU A 41 -1.297 -5.891 2.089 1.00 0.00 C ATOM 688 C LEU A 41 -0.176 -6.688 1.449 1.00 0.00 C ATOM 689 O LEU A 41 -0.402 -7.488 0.537 1.00 0.00 O ATOM 690 CB LEU A 41 -1.316 -4.451 1.545 1.00 0.00 C ATOM 691 CG LEU A 41 -1.375 -4.291 0.022 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.611 -4.955 -0.554 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.330 -2.824 -0.357 1.00 0.00 C ATOM 0 H LEU A 41 -0.940 -4.958 3.922 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.249 -6.361 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.175 -3.936 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.424 -3.939 1.907 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.503 -4.788 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.624 -4.824 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.596 -6.019 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.503 -4.500 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.373 -2.727 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.181 -2.307 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.404 -2.381 0.011 1.00 0.00 H new ATOM 705 N ILE A 42 1.009 -6.504 1.968 1.00 0.00 N ATOM 706 CA ILE A 42 2.170 -7.205 1.478 1.00 0.00 C ATOM 707 C ILE A 42 2.024 -8.697 1.753 1.00 0.00 C ATOM 708 O ILE A 42 2.063 -9.498 0.834 1.00 0.00 O ATOM 709 CB ILE A 42 3.490 -6.627 2.082 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.692 -5.185 1.602 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.694 -7.477 1.712 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.935 -4.513 2.138 1.00 0.00 C ATOM 0 H ILE A 42 1.198 -5.866 2.741 1.00 0.00 H new ATOM 0 HA ILE A 42 2.237 -7.059 0.400 1.00 0.00 H new ATOM 0 HB ILE A 42 3.399 -6.640 3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.733 -5.181 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.822 -4.595 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.593 -7.044 2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.556 -8.489 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.797 -7.509 0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.997 -3.497 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.890 -4.480 3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.815 -5.076 1.828 1.00 0.00 H new ATOM 724 N ASN A 43 1.777 -9.040 3.002 1.00 0.00 N ATOM 725 CA ASN A 43 1.585 -10.438 3.450 1.00 0.00 C ATOM 726 C ASN A 43 0.489 -11.136 2.664 1.00 0.00 C ATOM 727 O ASN A 43 0.587 -12.328 2.390 1.00 0.00 O ATOM 728 CB ASN A 43 1.251 -10.522 4.948 1.00 0.00 C ATOM 729 CG ASN A 43 2.348 -9.987 5.844 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.531 -10.043 5.505 1.00 0.00 O ATOM 731 ND2 ASN A 43 1.969 -9.469 6.983 1.00 0.00 N ATOM 0 H ASN A 43 1.700 -8.359 3.757 1.00 0.00 H new ATOM 0 HA ASN A 43 2.534 -10.942 3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.333 -9.965 5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.054 -11.561 5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.663 -9.092 7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.979 -9.442 7.226 1.00 0.00 H new ATOM 738 N LYS A 44 -0.544 -10.380 2.295 1.00 0.00 N ATOM 739 CA LYS A 44 -1.660 -10.886 1.495 1.00 0.00 C ATOM 740 C LYS A 44 -1.146 -11.410 0.161 1.00 0.00 C ATOM 741 O LYS A 44 -1.442 -12.540 -0.244 1.00 0.00 O ATOM 742 CB LYS A 44 -2.662 -9.751 1.230 1.00 0.00 C ATOM 743 CG LYS A 44 -3.895 -10.160 0.421 1.00 0.00 C ATOM 744 CD LYS A 44 -4.703 -8.946 -0.053 1.00 0.00 C ATOM 745 CE LYS A 44 -5.153 -8.057 1.096 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.960 -6.914 0.625 1.00 0.00 N ATOM 0 H LYS A 44 -0.631 -9.395 2.543 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.149 -11.692 2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.991 -9.345 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.148 -8.948 0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.583 -10.747 -0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.531 -10.803 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.099 -8.360 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.578 -9.290 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.736 -8.646 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.279 -7.688 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.247 -6.333 1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.395 -6.337 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.807 -7.266 0.135 1.00 0.00 H new ATOM 760 N PHE A 45 -0.354 -10.603 -0.495 1.00 0.00 N ATOM 761 CA PHE A 45 0.182 -10.948 -1.786 1.00 0.00 C ATOM 762 C PHE A 45 1.336 -11.921 -1.691 1.00 0.00 C ATOM 763 O PHE A 45 1.493 -12.790 -2.546 1.00 0.00 O ATOM 764 CB PHE A 45 0.549 -9.699 -2.581 1.00 0.00 C ATOM 765 CG PHE A 45 -0.651 -9.037 -3.188 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.460 -8.193 -2.449 1.00 0.00 C ATOM 767 CD2 PHE A 45 -0.981 -9.284 -4.504 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.569 -7.609 -3.017 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.091 -8.706 -5.075 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.885 -7.867 -4.332 1.00 0.00 C ATOM 0 H PHE A 45 -0.062 -9.689 -0.150 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.606 -11.466 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.059 -8.992 -1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.251 -9.967 -3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.219 -7.990 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.359 -9.940 -5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.191 -6.948 -2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.338 -8.912 -6.106 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.756 -7.410 -4.779 1.00 0.00 H new ATOM 780 N MET A 46 2.113 -11.814 -0.634 1.00 0.00 N ATOM 781 CA MET A 46 3.254 -12.699 -0.456 1.00 0.00 C ATOM 782 C MET A 46 2.778 -14.088 -0.052 1.00 0.00 C ATOM 783 O MET A 46 3.493 -15.079 -0.206 1.00 0.00 O ATOM 784 CB MET A 46 4.195 -12.207 0.634 1.00 0.00 C ATOM 785 CG MET A 46 4.688 -10.795 0.483 1.00 0.00 C ATOM 786 SD MET A 46 6.260 -10.532 1.300 1.00 0.00 S ATOM 787 CE MET A 46 7.291 -11.556 0.265 1.00 0.00 C ATOM 0 H MET A 46 1.981 -11.130 0.111 1.00 0.00 H new ATOM 0 HA MET A 46 3.784 -12.721 -1.408 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.686 -12.294 1.594 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.058 -12.872 0.670 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.788 -10.559 -0.576 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.948 -10.108 0.894 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.338 -11.395 0.521 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.036 -12.604 0.421 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.129 -11.296 -0.781 1.00 0.00 H new ATOM 1151 N LEU B 6 9.673 14.894 -2.710 1.00 0.00 N ATOM 1152 CA LEU B 6 9.356 13.997 -1.617 1.00 0.00 C ATOM 1153 C LEU B 6 8.423 12.882 -2.106 1.00 0.00 C ATOM 1154 O LEU B 6 8.667 11.703 -1.844 1.00 0.00 O ATOM 1155 CB LEU B 6 8.764 14.828 -0.432 1.00 0.00 C ATOM 1156 CG LEU B 6 8.431 14.125 0.912 1.00 0.00 C ATOM 1157 CD1 LEU B 6 7.149 13.322 0.845 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.592 13.251 1.373 1.00 0.00 C ATOM 0 HA LEU B 6 10.254 13.502 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.469 15.630 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.847 15.297 -0.790 1.00 0.00 H new ATOM 0 HG LEU B 6 8.274 14.914 1.648 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.963 12.852 1.811 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.318 13.983 0.598 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.241 12.553 0.078 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.333 12.770 2.316 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.795 12.489 0.621 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.479 13.868 1.512 1.00 0.00 H new ATOM 1170 N LYS B 7 7.381 13.252 -2.843 1.00 0.00 N ATOM 1171 CA LYS B 7 6.479 12.261 -3.423 1.00 0.00 C ATOM 1172 C LYS B 7 7.196 11.400 -4.427 1.00 0.00 C ATOM 1173 O LYS B 7 6.932 10.217 -4.520 1.00 0.00 O ATOM 1174 CB LYS B 7 5.241 12.902 -4.052 1.00 0.00 C ATOM 1175 CG LYS B 7 3.956 12.614 -3.281 1.00 0.00 C ATOM 1176 CD LYS B 7 3.474 11.143 -3.411 1.00 0.00 C ATOM 1177 CE LYS B 7 2.795 10.882 -4.746 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.108 9.551 -4.814 1.00 0.00 N ATOM 0 H LYS B 7 7.141 14.221 -3.052 1.00 0.00 H new ATOM 0 HA LYS B 7 6.136 11.629 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.388 13.980 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.132 12.540 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS B 7 4.114 12.845 -2.227 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.170 13.279 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.325 10.471 -3.300 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.781 10.916 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.065 11.669 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.538 10.940 -5.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.623 9.457 -5.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.812 8.792 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.412 9.480 -4.045 1.00 0.00 H new ATOM 1192 N ASN B 8 8.140 11.986 -5.135 1.00 0.00 N ATOM 1193 CA ASN B 8 8.919 11.262 -6.130 1.00 0.00 C ATOM 1194 C ASN B 8 9.793 10.191 -5.437 1.00 0.00 C ATOM 1195 O ASN B 8 10.046 9.109 -5.996 1.00 0.00 O ATOM 1196 CB ASN B 8 9.769 12.243 -6.952 1.00 0.00 C ATOM 1197 CG ASN B 8 10.469 11.599 -8.137 1.00 0.00 C ATOM 1198 OD1 ASN B 8 9.983 10.623 -8.713 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.590 12.145 -8.526 1.00 0.00 N ATOM 0 H ASN B 8 8.391 12.970 -5.041 1.00 0.00 H new ATOM 0 HA ASN B 8 8.246 10.751 -6.818 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.131 13.049 -7.313 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.517 12.696 -6.301 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.091 11.764 -9.329 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.964 12.952 -8.027 1.00 0.00 H new ATOM 1206 N LYS B 9 10.233 10.491 -4.208 1.00 0.00 N ATOM 1207 CA LYS B 9 10.960 9.526 -3.376 1.00 0.00 C ATOM 1208 C LYS B 9 10.028 8.420 -2.918 1.00 0.00 C ATOM 1209 O LYS B 9 10.391 7.244 -2.940 1.00 0.00 O ATOM 1210 CB LYS B 9 11.608 10.193 -2.157 1.00 0.00 C ATOM 1211 CG LYS B 9 12.753 11.130 -2.484 1.00 0.00 C ATOM 1212 CD LYS B 9 13.381 11.679 -1.216 1.00 0.00 C ATOM 1213 CE LYS B 9 14.604 12.521 -1.525 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.232 13.049 -0.298 1.00 0.00 N ATOM 0 H LYS B 9 10.096 11.400 -3.767 1.00 0.00 H new ATOM 0 HA LYS B 9 11.756 9.105 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.844 10.750 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.973 9.416 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.506 10.601 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.391 11.952 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.650 12.281 -0.677 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.661 10.855 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.329 11.921 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.320 13.350 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.064 13.619 -0.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.549 13.643 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.526 12.258 0.309 1.00 0.00 H new ATOM 1228 N ILE B 10 8.831 8.807 -2.521 1.00 0.00 N ATOM 1229 CA ILE B 10 7.791 7.868 -2.105 1.00 0.00 C ATOM 1230 C ILE B 10 7.454 6.919 -3.235 1.00 0.00 C ATOM 1231 O ILE B 10 7.439 5.705 -3.047 1.00 0.00 O ATOM 1232 CB ILE B 10 6.521 8.621 -1.629 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.853 9.358 -0.349 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.338 7.670 -1.422 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.759 10.208 0.194 1.00 0.00 C ATOM 0 H ILE B 10 8.545 9.785 -2.476 1.00 0.00 H new ATOM 0 HA ILE B 10 8.173 7.287 -1.265 1.00 0.00 H new ATOM 0 HB ILE B 10 6.217 9.329 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.135 8.628 0.409 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.726 9.986 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.469 8.237 -1.089 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.106 7.169 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.597 6.926 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.096 10.693 1.110 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.490 10.967 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.889 9.588 0.410 1.00 0.00 H new ATOM 1247 N GLU B 11 7.216 7.484 -4.409 1.00 0.00 N ATOM 1248 CA GLU B 11 6.946 6.719 -5.609 1.00 0.00 C ATOM 1249 C GLU B 11 8.092 5.760 -5.877 1.00 0.00 C ATOM 1250 O GLU B 11 7.873 4.583 -6.096 1.00 0.00 O ATOM 1251 CB GLU B 11 6.749 7.656 -6.806 1.00 0.00 C ATOM 1252 CG GLU B 11 5.531 8.564 -6.693 1.00 0.00 C ATOM 1253 CD GLU B 11 4.235 7.803 -6.729 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.768 7.464 -7.832 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.652 7.514 -5.652 1.00 0.00 O ATOM 0 H GLU B 11 7.206 8.494 -4.553 1.00 0.00 H new ATOM 0 HA GLU B 11 6.030 6.147 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.640 8.274 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.659 7.056 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.590 9.130 -5.763 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.545 9.288 -7.508 1.00 0.00 H new ATOM 1262 N ASN B 12 9.312 6.262 -5.777 1.00 0.00 N ATOM 1263 CA ASN B 12 10.505 5.460 -6.035 1.00 0.00 C ATOM 1264 C ASN B 12 10.635 4.309 -5.051 1.00 0.00 C ATOM 1265 O ASN B 12 10.897 3.178 -5.455 1.00 0.00 O ATOM 1266 CB ASN B 12 11.776 6.329 -6.017 1.00 0.00 C ATOM 1267 CG ASN B 12 13.049 5.540 -6.303 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.404 5.324 -7.465 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.773 5.166 -5.278 1.00 0.00 N ATOM 0 H ASN B 12 9.507 7.229 -5.517 1.00 0.00 H new ATOM 0 HA ASN B 12 10.393 5.035 -7.032 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.675 7.124 -6.756 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.866 6.810 -5.043 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.658 4.681 -5.428 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.452 5.359 -4.329 1.00 0.00 H new ATOM 1276 N LYS B 13 10.420 4.592 -3.777 1.00 0.00 N ATOM 1277 CA LYS B 13 10.555 3.601 -2.731 1.00 0.00 C ATOM 1278 C LYS B 13 9.465 2.532 -2.861 1.00 0.00 C ATOM 1279 O LYS B 13 9.736 1.337 -2.727 1.00 0.00 O ATOM 1280 CB LYS B 13 10.484 4.298 -1.380 1.00 0.00 C ATOM 1281 CG LYS B 13 11.048 3.496 -0.225 1.00 0.00 C ATOM 1282 CD LYS B 13 12.506 3.134 -0.456 1.00 0.00 C ATOM 1283 CE LYS B 13 13.378 4.335 -0.753 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.767 3.931 -0.998 1.00 0.00 N ATOM 0 H LYS B 13 10.147 5.516 -3.442 1.00 0.00 H new ATOM 0 HA LYS B 13 11.518 3.098 -2.822 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.022 5.244 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.443 4.538 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.957 4.070 0.697 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.463 2.586 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.891 2.623 0.426 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.572 2.431 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS B 13 12.991 4.863 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.341 5.031 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.347 4.775 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.136 3.433 -0.163 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.804 3.299 -1.823 1.00 0.00 H new ATOM 1298 N LYS B 14 8.253 2.990 -3.133 1.00 0.00 N ATOM 1299 CA LYS B 14 7.097 2.156 -3.397 1.00 0.00 C ATOM 1300 C LYS B 14 7.441 1.190 -4.531 1.00 0.00 C ATOM 1301 O LYS B 14 7.307 -0.016 -4.398 1.00 0.00 O ATOM 1302 CB LYS B 14 5.947 3.086 -3.831 1.00 0.00 C ATOM 1303 CG LYS B 14 4.591 2.439 -4.048 1.00 0.00 C ATOM 1304 CD LYS B 14 3.557 3.464 -4.540 1.00 0.00 C ATOM 1305 CE LYS B 14 3.837 3.901 -5.968 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.945 4.996 -6.425 1.00 0.00 N ATOM 0 H LYS B 14 8.043 3.987 -3.177 1.00 0.00 H new ATOM 0 HA LYS B 14 6.808 1.583 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.836 3.864 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.240 3.580 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.682 1.633 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.247 1.990 -3.117 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.558 3.031 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.567 4.335 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.874 4.228 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.723 3.045 -6.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.194 5.263 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.957 4.674 -6.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.059 5.820 -5.800 1.00 0.00 H new ATOM 1320 N LYS B 15 7.951 1.752 -5.616 1.00 0.00 N ATOM 1321 CA LYS B 15 8.342 1.002 -6.807 1.00 0.00 C ATOM 1322 C LYS B 15 9.464 0.004 -6.522 1.00 0.00 C ATOM 1323 O LYS B 15 9.465 -1.100 -7.091 1.00 0.00 O ATOM 1324 CB LYS B 15 8.706 1.960 -7.940 1.00 0.00 C ATOM 1325 CG LYS B 15 7.502 2.731 -8.478 1.00 0.00 C ATOM 1326 CD LYS B 15 7.904 3.915 -9.355 1.00 0.00 C ATOM 1327 CE LYS B 15 8.648 3.497 -10.620 1.00 0.00 C ATOM 1328 NZ LYS B 15 7.816 2.682 -11.530 1.00 0.00 N ATOM 0 H LYS B 15 8.109 2.756 -5.698 1.00 0.00 H new ATOM 0 HA LYS B 15 7.484 0.409 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.454 2.668 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.162 1.396 -8.753 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.871 2.055 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.903 3.091 -7.642 1.00 0.00 H new ATOM 0 HD2 LYS B 15 7.010 4.473 -9.634 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.534 4.591 -8.777 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.989 4.388 -11.147 1.00 0.00 H new ATOM 0 HE3 LYS B 15 9.537 2.931 -10.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 8.341 2.498 -12.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.582 1.779 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.939 3.195 -11.752 1.00 0.00 H new ATOM 1342 N GLU B 16 10.408 0.377 -5.647 1.00 0.00 N ATOM 1343 CA GLU B 16 11.470 -0.543 -5.235 1.00 0.00 C ATOM 1344 C GLU B 16 10.866 -1.743 -4.525 1.00 0.00 C ATOM 1345 O GLU B 16 11.211 -2.890 -4.805 1.00 0.00 O ATOM 1346 CB GLU B 16 12.510 0.129 -4.311 1.00 0.00 C ATOM 1347 CG GLU B 16 13.356 1.220 -4.935 1.00 0.00 C ATOM 1348 CD GLU B 16 14.558 1.565 -4.073 1.00 0.00 C ATOM 1349 OE1 GLU B 16 14.397 2.084 -2.936 1.00 0.00 O ATOM 1350 OE2 GLU B 16 15.699 1.269 -4.494 1.00 0.00 O ATOM 0 H GLU B 16 10.456 1.300 -5.216 1.00 0.00 H new ATOM 0 HA GLU B 16 11.989 -0.859 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.985 0.551 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.176 -0.643 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.695 0.898 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.747 2.112 -5.083 1.00 0.00 H new ATOM 1357 N LEU B 17 9.926 -1.465 -3.657 1.00 0.00 N ATOM 1358 CA LEU B 17 9.262 -2.479 -2.876 1.00 0.00 C ATOM 1359 C LEU B 17 8.412 -3.392 -3.738 1.00 0.00 C ATOM 1360 O LEU B 17 8.440 -4.616 -3.558 1.00 0.00 O ATOM 1361 CB LEU B 17 8.468 -1.814 -1.718 1.00 0.00 C ATOM 1362 CG LEU B 17 7.422 -2.637 -0.952 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.123 -2.729 -1.687 1.00 0.00 C ATOM 1364 CD2 LEU B 17 7.947 -3.994 -0.530 1.00 0.00 C ATOM 0 H LEU B 17 9.596 -0.518 -3.470 1.00 0.00 H new ATOM 0 HA LEU B 17 10.013 -3.129 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.194 -1.449 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.961 -0.941 -2.128 1.00 0.00 H new ATOM 0 HG LEU B 17 7.216 -2.092 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.417 -3.321 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.719 -1.728 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.285 -3.206 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.168 -4.534 0.008 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.239 -4.562 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.812 -3.863 0.120 1.00 0.00 H new ATOM 1376 N ILE B 18 7.661 -2.814 -4.657 1.00 0.00 N ATOM 1377 CA ILE B 18 6.786 -3.601 -5.513 1.00 0.00 C ATOM 1378 C ILE B 18 7.611 -4.633 -6.278 1.00 0.00 C ATOM 1379 O ILE B 18 7.219 -5.781 -6.406 1.00 0.00 O ATOM 1380 CB ILE B 18 6.000 -2.728 -6.515 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.174 -1.685 -5.774 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.079 -3.612 -7.361 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.650 -0.576 -6.658 1.00 0.00 C ATOM 0 H ILE B 18 7.637 -1.809 -4.831 1.00 0.00 H new ATOM 0 HA ILE B 18 6.060 -4.095 -4.868 1.00 0.00 H new ATOM 0 HB ILE B 18 6.709 -2.217 -7.166 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.331 -2.180 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.784 -1.248 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.526 -2.991 -8.067 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.677 -4.340 -7.909 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.377 -4.134 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.072 0.126 -6.057 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.487 -0.054 -7.121 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.012 -1.000 -7.434 1.00 0.00 H new ATOM 1395 N GLN B 19 8.783 -4.210 -6.728 1.00 0.00 N ATOM 1396 CA GLN B 19 9.698 -5.081 -7.429 1.00 0.00 C ATOM 1397 C GLN B 19 10.158 -6.230 -6.538 1.00 0.00 C ATOM 1398 O GLN B 19 10.283 -7.369 -7.005 1.00 0.00 O ATOM 1399 CB GLN B 19 10.880 -4.289 -7.972 1.00 0.00 C ATOM 1400 CG GLN B 19 10.505 -3.388 -9.128 1.00 0.00 C ATOM 1401 CD GLN B 19 11.622 -2.472 -9.558 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.444 -2.824 -10.395 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.653 -1.297 -8.998 1.00 0.00 N ATOM 0 H GLN B 19 9.121 -3.254 -6.615 1.00 0.00 H new ATOM 0 HA GLN B 19 9.170 -5.520 -8.276 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.305 -3.685 -7.170 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.657 -4.982 -8.295 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.203 -4.003 -9.975 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.640 -2.787 -8.846 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.949 -1.044 -8.305 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.381 -0.630 -9.252 1.00 0.00 H new ATOM 1412 N LEU B 20 10.360 -5.943 -5.267 1.00 0.00 N ATOM 1413 CA LEU B 20 10.744 -6.958 -4.302 1.00 0.00 C ATOM 1414 C LEU B 20 9.644 -7.995 -4.090 1.00 0.00 C ATOM 1415 O LEU B 20 9.904 -9.192 -4.242 1.00 0.00 O ATOM 1416 CB LEU B 20 11.180 -6.362 -2.970 1.00 0.00 C ATOM 1417 CG LEU B 20 12.676 -6.078 -2.763 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.241 -5.203 -3.819 1.00 0.00 C ATOM 1419 CD2 LEU B 20 12.901 -5.434 -1.430 1.00 0.00 C ATOM 0 H LEU B 20 10.264 -5.006 -4.875 1.00 0.00 H new ATOM 0 HA LEU B 20 11.607 -7.466 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.640 -5.426 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU B 20 10.856 -7.038 -2.179 1.00 0.00 H new ATOM 0 HG LEU B 20 13.186 -7.040 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU B 20 14.300 -5.035 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU B 20 13.123 -5.683 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.716 -4.248 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU B 20 13.965 -5.238 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU B 20 12.350 -4.495 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU B 20 12.552 -6.100 -0.641 1.00 0.00 H new ATOM 1431 N VAL B 21 8.409 -7.567 -3.745 1.00 0.00 N ATOM 1432 CA VAL B 21 7.333 -8.535 -3.587 1.00 0.00 C ATOM 1433 C VAL B 21 7.047 -9.287 -4.904 1.00 0.00 C ATOM 1434 O VAL B 21 6.619 -10.437 -4.894 1.00 0.00 O ATOM 1435 CB VAL B 21 6.033 -7.898 -3.068 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.258 -7.082 -1.842 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.285 -7.131 -4.121 1.00 0.00 C ATOM 0 H VAL B 21 8.151 -6.594 -3.579 1.00 0.00 H new ATOM 0 HA VAL B 21 7.683 -9.245 -2.838 1.00 0.00 H new ATOM 0 HB VAL B 21 5.388 -8.731 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.312 -6.652 -1.512 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.664 -7.715 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL B 21 6.963 -6.281 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.379 -6.708 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL B 21 5.915 -6.327 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL B 21 5.018 -7.801 -4.938 1.00 0.00 H new ATOM 1447 N ALA B 22 7.303 -8.632 -6.017 1.00 0.00 N ATOM 1448 CA ALA B 22 7.083 -9.211 -7.312 1.00 0.00 C ATOM 1449 C ALA B 22 8.051 -10.355 -7.569 1.00 0.00 C ATOM 1450 O ALA B 22 7.636 -11.459 -7.945 1.00 0.00 O ATOM 1451 CB ALA B 22 7.198 -8.147 -8.375 1.00 0.00 C ATOM 0 H ALA B 22 7.670 -7.681 -6.042 1.00 0.00 H new ATOM 0 HA ALA B 22 6.075 -9.626 -7.345 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.030 -8.593 -9.355 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.453 -7.372 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.194 -7.706 -8.343 1.00 0.00 H new ATOM 1457 N ARG B 23 9.334 -10.121 -7.277 1.00 0.00 N ATOM 1458 CA ARG B 23 10.376 -11.119 -7.508 1.00 0.00 C ATOM 1459 C ARG B 23 10.298 -12.258 -6.492 1.00 0.00 C ATOM 1460 O ARG B 23 10.998 -13.268 -6.618 1.00 0.00 O ATOM 1461 CB ARG B 23 11.770 -10.486 -7.551 1.00 0.00 C ATOM 1462 CG ARG B 23 12.211 -9.833 -6.260 1.00 0.00 C ATOM 1463 CD ARG B 23 13.495 -9.049 -6.448 1.00 0.00 C ATOM 1464 NE ARG B 23 13.334 -7.990 -7.454 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.133 -6.933 -7.610 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.193 -6.758 -6.822 1.00 0.00 N ATOM 1467 NH2 ARG B 23 13.865 -6.057 -8.573 1.00 0.00 N ATOM 0 H ARG B 23 9.674 -9.246 -6.879 1.00 0.00 H new ATOM 0 HA ARG B 23 10.195 -11.553 -8.491 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.495 -11.255 -7.819 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.790 -9.739 -8.345 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.426 -9.168 -5.900 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.357 -10.596 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.796 -8.608 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.294 -9.724 -6.753 1.00 0.00 H new ATOM 0 HE ARG B 23 12.540 -8.070 -8.090 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.401 -7.436 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG B 23 15.796 -5.946 -6.951 1.00 0.00 H new ATOM 0 HH21 ARG B 23 13.058 -6.198 -9.180 1.00 0.00 H new ATOM 0 HH22 ARG B 23 14.467 -5.244 -8.705 1.00 0.00 H new ATOM 1481 N HIS B 24 9.454 -12.082 -5.478 1.00 0.00 N ATOM 1482 CA HIS B 24 9.135 -13.156 -4.547 1.00 0.00 C ATOM 1483 C HIS B 24 8.493 -14.298 -5.329 1.00 0.00 C ATOM 1484 O HIS B 24 8.772 -15.478 -5.085 1.00 0.00 O ATOM 1485 CB HIS B 24 8.170 -12.654 -3.441 1.00 0.00 C ATOM 1486 CG HIS B 24 7.557 -13.745 -2.592 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.279 -14.239 -2.775 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.070 -14.437 -1.546 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.067 -15.180 -1.867 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.119 -15.346 -1.091 1.00 0.00 N ATOM 0 H HIS B 24 8.978 -11.201 -5.282 1.00 0.00 H new ATOM 0 HA HIS B 24 10.047 -13.502 -4.061 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.711 -11.967 -2.790 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.368 -12.084 -3.910 1.00 0.00 H new ATOM 0 HD2 HIS B 24 9.059 -14.304 -1.132 1.00 0.00 H new ATOM 0 HE1 HIS B 24 5.148 -15.740 -1.774 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.216 -16.004 -0.318 1.00 0.00 H new ATOM 1498 N GLY B 25 7.673 -13.928 -6.282 1.00 0.00 N ATOM 1499 CA GLY B 25 7.007 -14.894 -7.094 1.00 0.00 C ATOM 1500 C GLY B 25 5.589 -14.498 -7.384 1.00 0.00 C ATOM 1501 O GLY B 25 4.695 -15.348 -7.391 1.00 0.00 O ATOM 0 H GLY B 25 7.456 -12.958 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.549 -15.016 -8.032 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.018 -15.861 -6.591 1.00 0.00 H new ATOM 1505 N LEU B 26 5.350 -13.214 -7.594 1.00 0.00 N ATOM 1506 CA LEU B 26 4.021 -12.777 -7.934 1.00 0.00 C ATOM 1507 C LEU B 26 3.780 -12.903 -9.387 1.00 0.00 C ATOM 1508 O LEU B 26 4.702 -12.786 -10.207 1.00 0.00 O ATOM 1509 CB LEU B 26 3.721 -11.335 -7.530 1.00 0.00 C ATOM 1510 CG LEU B 26 3.512 -11.048 -6.065 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.081 -9.611 -5.835 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.561 -12.037 -5.415 1.00 0.00 C ATOM 0 H LEU B 26 6.049 -12.474 -7.535 1.00 0.00 H new ATOM 0 HA LEU B 26 3.358 -13.430 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.543 -10.710 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.827 -11.016 -8.065 1.00 0.00 H new ATOM 0 HG LEU B 26 4.477 -11.179 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.940 -9.440 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.849 -8.936 -6.212 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.144 -9.424 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.443 -11.789 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.591 -11.988 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.965 -13.045 -5.507 1.00 0.00 H new ATOM 1524 N ASP B 27 2.562 -13.174 -9.705 1.00 0.00 N ATOM 1525 CA ASP B 27 2.115 -13.189 -11.069 1.00 0.00 C ATOM 1526 C ASP B 27 1.994 -11.764 -11.524 1.00 0.00 C ATOM 1527 O ASP B 27 1.900 -10.860 -10.680 1.00 0.00 O ATOM 1528 CB ASP B 27 0.762 -13.889 -11.197 1.00 0.00 C ATOM 1529 CG ASP B 27 0.824 -15.354 -10.860 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.071 -16.170 -11.769 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.636 -15.716 -9.681 1.00 0.00 O ATOM 0 H ASP B 27 1.835 -13.395 -9.024 1.00 0.00 H new ATOM 0 HA ASP B 27 2.829 -13.737 -11.684 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.043 -13.401 -10.539 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.393 -13.771 -12.216 1.00 0.00 H new ATOM 1536 N HIS B 28 1.985 -11.551 -12.824 1.00 0.00 N ATOM 1537 CA HIS B 28 1.889 -10.206 -13.407 1.00 0.00 C ATOM 1538 C HIS B 28 0.699 -9.443 -12.810 1.00 0.00 C ATOM 1539 O HIS B 28 0.823 -8.278 -12.430 1.00 0.00 O ATOM 1540 CB HIS B 28 1.765 -10.303 -14.945 1.00 0.00 C ATOM 1541 CG HIS B 28 1.693 -8.977 -15.664 1.00 0.00 C ATOM 1542 ND1 HIS B 28 2.657 -8.057 -15.901 1.00 0.00 N flip ATOM 1543 CD2 HIS B 28 0.547 -8.479 -16.244 1.00 0.00 C flip ATOM 1544 CE1 HIS B 28 2.112 -6.993 -16.621 1.00 0.00 C flip ATOM 1545 NE2 HIS B 28 0.836 -7.305 -16.801 1.00 0.00 N flip ATOM 0 H HIS B 28 2.044 -12.298 -13.516 1.00 0.00 H new ATOM 0 HA HIS B 28 2.797 -9.653 -13.167 1.00 0.00 H new ATOM 0 HB2 HIS B 28 2.619 -10.862 -15.329 1.00 0.00 H new ATOM 0 HB3 HIS B 28 0.872 -10.879 -15.187 1.00 0.00 H new ATOM 0 HD2 HIS B 28 -0.420 -8.959 -16.246 1.00 0.00 H new ATOM 0 HE1 HIS B 28 2.622 -6.103 -16.960 1.00 0.00 H new ATOM 0 HE2 HIS B 28 0.164 -6.722 -17.301 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.419 -10.141 -12.678 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.653 -9.576 -12.125 1.00 0.00 C ATOM 1555 C ASP B 29 -1.492 -9.211 -10.676 1.00 0.00 C ATOM 1556 O ASP B 29 -1.983 -8.185 -10.241 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.823 -10.542 -12.274 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.165 -10.805 -13.702 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -2.531 -11.698 -14.323 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -4.040 -10.119 -14.248 1.00 0.00 O ATOM 0 H ASP B 29 -0.502 -11.120 -12.951 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.865 -8.671 -12.695 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.578 -11.484 -11.783 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.695 -10.133 -11.764 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.770 -10.038 -9.942 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.529 -9.810 -8.524 1.00 0.00 C ATOM 1567 C LYS B 30 0.230 -8.520 -8.324 1.00 0.00 C ATOM 1568 O LYS B 30 -0.137 -7.710 -7.491 1.00 0.00 O ATOM 1569 CB LYS B 30 0.243 -10.979 -7.912 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.551 -12.265 -7.763 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.652 -12.145 -6.721 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.348 -13.477 -6.503 1.00 0.00 C ATOM 1573 NZ LYS B 30 -3.444 -13.377 -5.524 1.00 0.00 N ATOM 0 H LYS B 30 -0.334 -10.885 -10.308 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.492 -9.733 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.118 -11.180 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.608 -10.679 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.991 -12.532 -8.724 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.123 -13.075 -7.485 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.229 -11.794 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.380 -11.399 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.743 -13.839 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.621 -14.213 -6.159 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.891 -14.309 -5.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -3.065 -13.057 -4.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -4.151 -12.694 -5.863 1.00 0.00 H new ATOM 1587 N VAL B 31 1.262 -8.327 -9.131 1.00 0.00 N ATOM 1588 CA VAL B 31 2.079 -7.126 -9.081 1.00 0.00 C ATOM 1589 C VAL B 31 1.206 -5.896 -9.366 1.00 0.00 C ATOM 1590 O VAL B 31 1.314 -4.871 -8.689 1.00 0.00 O ATOM 1591 CB VAL B 31 3.234 -7.192 -10.118 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.184 -6.015 -9.970 1.00 0.00 C ATOM 1593 CG2 VAL B 31 3.986 -8.505 -10.014 1.00 0.00 C ATOM 0 H VAL B 31 1.556 -9.000 -9.839 1.00 0.00 H new ATOM 0 HA VAL B 31 2.514 -7.050 -8.084 1.00 0.00 H new ATOM 0 HB VAL B 31 2.785 -7.134 -11.109 1.00 0.00 H new ATOM 0 HG11 VAL B 31 4.979 -6.094 -10.711 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.637 -5.085 -10.122 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.618 -6.021 -8.970 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.789 -8.524 -10.751 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.409 -8.604 -9.014 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.301 -9.332 -10.202 1.00 0.00 H new ATOM 1603 N LEU B 32 0.311 -6.032 -10.339 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.600 -4.960 -10.722 1.00 0.00 C ATOM 1605 C LEU B 32 -1.557 -4.633 -9.597 1.00 0.00 C ATOM 1606 O LEU B 32 -1.611 -3.502 -9.132 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.396 -5.343 -11.967 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.581 -5.700 -13.204 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.495 -6.035 -14.349 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.369 -4.581 -13.580 1.00 0.00 C ATOM 0 H LEU B 32 0.197 -6.887 -10.883 1.00 0.00 H new ATOM 0 HA LEU B 32 0.005 -4.080 -10.940 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.032 -6.193 -11.719 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.057 -4.514 -12.220 1.00 0.00 H new ATOM 0 HG LEU B 32 0.023 -6.577 -12.972 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.901 -6.288 -15.227 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.122 -6.884 -14.078 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.126 -5.175 -14.574 1.00 0.00 H new ATOM 0 HD21 LEU B 32 0.936 -4.867 -14.466 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.200 -3.676 -13.790 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.056 -4.394 -12.755 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.269 -5.636 -9.135 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.270 -5.465 -8.097 1.00 0.00 C ATOM 1624 C LEU B 33 -2.653 -4.933 -6.809 1.00 0.00 C ATOM 1625 O LEU B 33 -3.257 -4.101 -6.122 1.00 0.00 O ATOM 1626 CB LEU B 33 -4.017 -6.774 -7.858 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.741 -7.353 -9.079 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.424 -8.650 -8.728 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.744 -6.362 -9.641 1.00 0.00 C ATOM 0 H LEU B 33 -2.173 -6.596 -9.466 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.989 -4.720 -8.438 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.307 -7.516 -7.493 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.748 -6.615 -7.065 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.993 -7.551 -9.847 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.932 -9.044 -9.609 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.682 -9.371 -8.384 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -6.153 -8.475 -7.937 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.242 -6.800 -10.506 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.485 -6.122 -8.878 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.226 -5.452 -9.943 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.448 -5.380 -6.515 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.724 -4.921 -5.354 1.00 0.00 C ATOM 1643 C PHE B 34 -0.341 -3.450 -5.497 1.00 0.00 C ATOM 1644 O PHE B 34 -0.651 -2.645 -4.629 1.00 0.00 O ATOM 1645 CB PHE B 34 0.525 -5.785 -5.122 1.00 0.00 C ATOM 1646 CG PHE B 34 1.384 -5.321 -3.987 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.037 -5.597 -2.678 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.540 -4.602 -4.233 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.822 -5.160 -1.639 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.326 -4.166 -3.198 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.969 -4.445 -1.902 1.00 0.00 C ATOM 0 H PHE B 34 -0.947 -6.070 -7.075 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.377 -5.017 -4.486 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.214 -6.812 -4.932 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.121 -5.796 -6.034 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.140 -6.162 -2.470 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.826 -4.382 -5.251 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.540 -5.377 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.225 -3.604 -3.402 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.589 -4.103 -1.087 1.00 0.00 H new ATOM 1661 N SER B 35 0.286 -3.103 -6.614 1.00 0.00 N ATOM 1662 CA SER B 35 0.771 -1.749 -6.836 1.00 0.00 C ATOM 1663 C SER B 35 -0.360 -0.724 -6.855 1.00 0.00 C ATOM 1664 O SER B 35 -0.196 0.388 -6.369 1.00 0.00 O ATOM 1665 CB SER B 35 1.626 -1.685 -8.104 1.00 0.00 C ATOM 1666 OG SER B 35 0.963 -2.275 -9.204 1.00 0.00 O ATOM 0 H SER B 35 0.471 -3.746 -7.384 1.00 0.00 H new ATOM 0 HA SER B 35 1.405 -1.482 -5.990 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.861 -0.646 -8.334 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.573 -2.196 -7.932 1.00 0.00 H new ATOM 0 HG SER B 35 1.265 -3.201 -9.310 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.502 -1.120 -7.393 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.688 -0.262 -7.441 1.00 0.00 C ATOM 1674 C ARG B 36 -3.185 0.023 -6.039 1.00 0.00 C ATOM 1675 O ARG B 36 -3.338 1.179 -5.652 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.799 -0.948 -8.212 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.478 -1.226 -9.658 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.515 -2.146 -10.275 1.00 0.00 C ATOM 1679 NE ARG B 36 -4.252 -2.442 -11.688 1.00 0.00 N ATOM 1680 CZ ARG B 36 -5.021 -3.255 -12.443 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.187 -3.697 -11.972 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -4.647 -3.581 -13.678 1.00 0.00 N ATOM 0 H ARG B 36 -1.639 -2.041 -7.809 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.413 0.670 -7.934 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.038 -1.890 -7.719 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -4.694 -0.327 -8.165 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.441 -0.289 -10.213 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -2.491 -1.681 -9.735 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.544 -3.080 -9.713 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.500 -1.688 -10.183 1.00 0.00 H new ATOM 0 HE ARG B 36 -3.440 -2.008 -12.126 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.499 -3.421 -11.041 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -6.768 -4.311 -12.543 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -3.774 -3.216 -14.060 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -5.233 -4.196 -14.243 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.395 -1.050 -5.274 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.930 -0.965 -3.903 1.00 0.00 C ATOM 1698 C ASP B 37 -2.967 -0.162 -3.042 1.00 0.00 C ATOM 1699 O ASP B 37 -3.369 0.733 -2.306 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.085 -2.379 -3.331 1.00 0.00 C ATOM 1701 CG ASP B 37 -4.919 -2.467 -2.039 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -4.873 -1.566 -1.179 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.636 -3.476 -1.861 1.00 0.00 O ATOM 0 H ASP B 37 -3.201 -2.003 -5.582 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.903 -0.474 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.546 -3.013 -4.088 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.093 -2.787 -3.135 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.686 -0.472 -3.194 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.602 0.201 -2.500 1.00 0.00 C ATOM 1710 C LEU B 38 -0.582 1.695 -2.821 1.00 0.00 C ATOM 1711 O LEU B 38 -0.458 2.522 -1.925 1.00 0.00 O ATOM 1712 CB LEU B 38 0.730 -0.461 -2.891 1.00 0.00 C ATOM 1713 CG LEU B 38 2.026 0.207 -2.428 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.077 0.348 -0.928 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.215 -0.588 -2.911 1.00 0.00 C ATOM 0 H LEU B 38 -1.368 -1.214 -3.817 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.754 0.105 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.723 -1.480 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.761 -0.533 -3.978 1.00 0.00 H new ATOM 0 HG LEU B 38 2.056 1.209 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU B 38 3.013 0.827 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.238 0.957 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.017 -0.638 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.134 -0.106 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.167 -1.598 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.204 -0.634 -4.000 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.727 2.024 -4.092 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.734 3.419 -4.548 1.00 0.00 C ATOM 1729 C ASP B 39 -1.882 4.173 -3.889 1.00 0.00 C ATOM 1730 O ASP B 39 -1.702 5.273 -3.354 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.873 3.468 -6.077 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.739 4.859 -6.655 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -1.742 5.569 -6.786 1.00 0.00 O ATOM 1734 OD2 ASP B 39 0.393 5.243 -7.038 1.00 0.00 O ATOM 0 H ASP B 39 -0.843 1.342 -4.841 1.00 0.00 H new ATOM 0 HA ASP B 39 0.206 3.893 -4.266 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.115 2.824 -6.523 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.844 3.059 -6.358 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.044 3.537 -3.883 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.247 4.085 -3.272 1.00 0.00 C ATOM 1741 C LYS B 40 -4.055 4.260 -1.771 1.00 0.00 C ATOM 1742 O LYS B 40 -4.341 5.319 -1.229 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.439 3.156 -3.505 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.801 2.925 -4.966 1.00 0.00 C ATOM 1745 CD LYS B 40 -6.914 1.881 -5.116 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.268 2.376 -4.604 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.745 3.568 -5.345 1.00 0.00 N ATOM 0 H LYS B 40 -3.180 2.619 -4.305 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.439 5.054 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.225 2.192 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.308 3.569 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.121 3.865 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -4.917 2.596 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.007 1.605 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.634 0.978 -4.573 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -9.003 1.576 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.188 2.617 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -9.747 3.737 -5.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -8.184 4.398 -5.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.639 3.407 -6.367 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.561 3.211 -1.126 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.336 3.180 0.317 1.00 0.00 C ATOM 1763 C LEU B 41 -2.410 4.301 0.746 1.00 0.00 C ATOM 1764 O LEU B 41 -2.683 5.006 1.727 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.750 1.820 0.734 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.433 1.634 2.225 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.694 1.725 3.066 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.723 0.312 2.455 1.00 0.00 C ATOM 0 H LEU B 41 -3.301 2.344 -1.596 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.296 3.321 0.814 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.452 1.041 0.436 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.833 1.657 0.168 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.768 2.440 2.535 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.441 1.590 4.117 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.155 2.703 2.927 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.393 0.948 2.758 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.505 0.196 3.517 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.362 -0.507 2.124 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.791 0.296 1.890 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.342 4.478 -0.005 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.383 5.516 0.279 1.00 0.00 C ATOM 1782 C ILE B 42 -1.028 6.880 0.172 1.00 0.00 C ATOM 1783 O ILE B 42 -1.115 7.595 1.167 1.00 0.00 O ATOM 1784 CB ILE B 42 0.888 5.420 -0.620 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.668 4.155 -0.274 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.778 6.649 -0.460 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.940 3.965 -1.065 1.00 0.00 C ATOM 0 H ILE B 42 -1.119 3.909 -0.822 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.046 5.370 1.305 1.00 0.00 H new ATOM 0 HB ILE B 42 0.567 5.376 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.915 4.175 0.787 1.00 0.00 H new ATOM 0 HG13 ILE B 42 1.023 3.291 -0.435 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.654 6.549 -1.100 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.220 7.541 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE B 42 2.096 6.735 0.579 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.428 3.042 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.703 3.909 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.609 4.807 -0.886 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.552 7.196 -1.005 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.168 8.505 -1.278 1.00 0.00 C ATOM 1801 C ASN B 43 -3.294 8.820 -0.297 1.00 0.00 C ATOM 1802 O ASN B 43 -3.474 9.978 0.101 1.00 0.00 O ATOM 1803 CB ASN B 43 -2.680 8.597 -2.723 1.00 0.00 C ATOM 1804 CG ASN B 43 -1.567 8.559 -3.773 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -0.429 9.017 -3.543 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -1.873 8.010 -4.922 1.00 0.00 N ATOM 0 H ASN B 43 -1.566 6.559 -1.802 1.00 0.00 H new ATOM 0 HA ASN B 43 -1.385 9.252 -1.143 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.370 7.774 -2.908 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -3.247 9.521 -2.840 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.172 7.948 -5.660 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.812 7.645 -5.079 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.017 7.779 0.118 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.095 7.887 1.097 1.00 0.00 C ATOM 1815 C LYS B 44 -4.570 8.497 2.391 1.00 0.00 C ATOM 1816 O LYS B 44 -5.116 9.486 2.895 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.664 6.495 1.394 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.822 6.476 2.386 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.222 5.057 2.766 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.726 4.264 1.575 1.00 0.00 C ATOM 1821 NZ LYS B 44 -8.925 4.870 0.948 1.00 0.00 N ATOM 0 H LYS B 44 -3.868 6.828 -0.221 1.00 0.00 H new ATOM 0 HA LYS B 44 -5.877 8.526 0.688 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -5.998 6.047 0.458 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.863 5.865 1.780 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.540 7.026 3.284 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.679 6.991 1.953 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.365 4.545 3.205 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.998 5.093 3.531 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -6.932 4.188 0.832 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -7.962 3.249 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -9.316 4.215 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.641 5.059 1.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.660 5.762 0.483 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.494 7.915 2.898 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.871 8.356 4.132 1.00 0.00 C ATOM 1837 C PHE B 45 -2.168 9.681 3.987 1.00 0.00 C ATOM 1838 O PHE B 45 -2.122 10.478 4.930 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.910 7.306 4.656 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.572 6.265 5.478 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.188 5.169 4.906 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.586 6.402 6.838 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.804 4.222 5.698 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.195 5.463 7.638 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.811 4.373 7.067 1.00 0.00 C ATOM 0 H PHE B 45 -3.028 7.120 2.461 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.676 8.496 4.853 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.408 6.830 3.814 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.139 7.794 5.252 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.187 5.053 3.832 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.112 7.260 7.291 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.280 3.364 5.246 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.190 5.581 8.712 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.298 3.638 7.690 1.00 0.00 H new ATOM 1855 N MET B 46 -1.617 9.915 2.809 1.00 0.00 N ATOM 1856 CA MET B 46 -0.934 11.165 2.516 1.00 0.00 C ATOM 1857 C MET B 46 -1.942 12.304 2.562 1.00 0.00 C ATOM 1858 O MET B 46 -1.610 13.429 2.918 1.00 0.00 O ATOM 1859 CB MET B 46 -0.302 11.124 1.137 1.00 0.00 C ATOM 1860 CG MET B 46 0.598 9.935 0.908 1.00 0.00 C ATOM 1861 SD MET B 46 1.579 10.080 -0.568 1.00 0.00 S ATOM 1862 CE MET B 46 2.664 11.347 -0.003 1.00 0.00 C ATOM 0 H MET B 46 -1.629 9.252 2.034 1.00 0.00 H new ATOM 0 HA MET B 46 -0.150 11.316 3.258 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.093 11.118 0.387 1.00 0.00 H new ATOM 0 HB3 MET B 46 0.274 12.037 0.986 1.00 0.00 H new ATOM 0 HG2 MET B 46 1.259 9.816 1.767 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.010 9.033 0.846 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.582 11.328 -0.590 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.180 12.317 -0.116 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.902 11.181 1.048 1.00 0.00 H new