USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 702 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 61 SER OG : rot -107:sc= 0.52 USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.486 USER MOD Set 2.1: A 60 GLN : amide:sc= -0.464! K(o=-0.014!,f=-0.85) USER MOD Set 2.2: A 68 GLN : amide:sc= 0.45 K(o=-0.014,f=-1.7) USER MOD Set 3.1: A 48 GLN : amide:sc= 0.898 K(o=2.1,f=-2.8!) USER MOD Set 3.2: A 86 HIS : no HE2:sc= 1.17 K(o=2.1,f=-6.6!) USER MOD Single : A 1 MET CE :methyl -136:sc= -0.0681 (180deg=-0.466) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 23:sc= 0.944 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.64! X(o=-1.6!,f=-1.7) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 73:sc= 0.52 USER MOD Single : A 33 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.78) USER MOD Single : A 34 SER OG : rot 71:sc= 0.729 USER MOD Single : A 35 GLN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.03 (180deg=-0.243) USER MOD Single : A 45 SER OG : rot 48:sc= 0.156 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 130:sc= -1.06 USER MOD Single : A 66 THR OG1 : rot 95:sc= 1.23 USER MOD Single : A 71 SER OG : rot 74:sc= 1.23 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.904 -19.614 -0.800 1.00 0.00 N ATOM 2 CA MET A 1 -17.462 -19.775 -0.636 1.00 0.00 C ATOM 3 C MET A 1 -16.727 -18.960 -1.664 1.00 0.00 C ATOM 4 O MET A 1 -16.535 -19.391 -2.805 1.00 0.00 O ATOM 5 CB MET A 1 -17.032 -21.251 -0.737 1.00 0.00 C ATOM 6 CG MET A 1 -17.443 -22.124 0.435 1.00 0.00 C ATOM 7 SD MET A 1 -16.642 -21.651 1.989 1.00 0.00 S ATOM 8 CE MET A 1 -14.911 -21.964 1.617 1.00 0.00 C ATOM 0 H1 MET A 1 -19.400 -20.182 -0.084 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.157 -18.612 -0.683 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.183 -19.933 -1.750 1.00 0.00 H new ATOM 0 HA MET A 1 -17.207 -19.420 0.363 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.452 -21.674 -1.650 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.947 -21.291 -0.837 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.524 -22.069 0.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.200 -23.162 0.209 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.444 -22.472 2.460 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.837 -22.592 0.729 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.401 -21.018 1.436 1.00 0.00 H new ATOM 20 N GLU A 2 -16.365 -17.775 -1.288 1.00 0.00 N ATOM 21 CA GLU A 2 -15.635 -16.892 -2.141 1.00 0.00 C ATOM 22 C GLU A 2 -14.404 -16.428 -1.399 1.00 0.00 C ATOM 23 O GLU A 2 -14.474 -16.190 -0.198 1.00 0.00 O ATOM 24 CB GLU A 2 -16.504 -15.679 -2.604 1.00 0.00 C ATOM 25 CG GLU A 2 -17.052 -14.755 -1.495 1.00 0.00 C ATOM 26 CD GLU A 2 -18.045 -15.429 -0.572 1.00 0.00 C ATOM 27 OE1 GLU A 2 -19.243 -15.487 -0.898 1.00 0.00 O ATOM 28 OE2 GLU A 2 -17.643 -15.931 0.495 1.00 0.00 O ATOM 0 H GLU A 2 -16.571 -17.388 -0.367 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.346 -17.424 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.907 -15.074 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.349 -16.064 -3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.217 -14.379 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.529 -13.891 -1.958 1.00 0.00 H new ATOM 35 N PRO A 3 -13.252 -16.375 -2.056 1.00 0.00 N ATOM 36 CA PRO A 3 -12.038 -15.881 -1.438 1.00 0.00 C ATOM 37 C PRO A 3 -12.165 -14.392 -1.121 1.00 0.00 C ATOM 38 O PRO A 3 -12.614 -13.606 -1.972 1.00 0.00 O ATOM 39 CB PRO A 3 -10.954 -16.112 -2.503 1.00 0.00 C ATOM 40 CG PRO A 3 -11.690 -16.236 -3.785 1.00 0.00 C ATOM 41 CD PRO A 3 -13.034 -16.803 -3.442 1.00 0.00 C ATOM 0 HA PRO A 3 -11.815 -16.381 -0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.248 -15.282 -2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.378 -17.013 -2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.789 -15.266 -4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.158 -16.888 -4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.810 -16.421 -4.105 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.044 -17.889 -3.531 1.00 0.00 H new ATOM 49 N PRO A 4 -11.805 -13.981 0.099 1.00 0.00 N ATOM 50 CA PRO A 4 -11.862 -12.582 0.487 1.00 0.00 C ATOM 51 C PRO A 4 -10.847 -11.772 -0.316 1.00 0.00 C ATOM 52 O PRO A 4 -9.795 -12.323 -0.710 1.00 0.00 O ATOM 53 CB PRO A 4 -11.475 -12.596 1.967 1.00 0.00 C ATOM 54 CG PRO A 4 -10.731 -13.866 2.160 1.00 0.00 C ATOM 55 CD PRO A 4 -11.320 -14.840 1.194 1.00 0.00 C ATOM 0 HA PRO A 4 -12.838 -12.132 0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.857 -11.735 2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.357 -12.555 2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.666 -13.727 1.973 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.830 -14.224 3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.578 -15.558 0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.130 -15.413 1.644 1.00 0.00 H new ATOM 63 N PRO A 5 -11.120 -10.484 -0.572 1.00 0.00 N ATOM 64 CA PRO A 5 -10.233 -9.633 -1.358 1.00 0.00 C ATOM 65 C PRO A 5 -8.840 -9.547 -0.747 1.00 0.00 C ATOM 66 O PRO A 5 -8.663 -9.077 0.397 1.00 0.00 O ATOM 67 CB PRO A 5 -10.910 -8.258 -1.328 1.00 0.00 C ATOM 68 CG PRO A 5 -12.332 -8.544 -1.006 1.00 0.00 C ATOM 69 CD PRO A 5 -12.317 -9.752 -0.120 1.00 0.00 C ATOM 0 HA PRO A 5 -10.091 -10.022 -2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.457 -7.610 -0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.816 -7.749 -2.287 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.797 -7.696 -0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -12.908 -8.731 -1.912 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -12.249 -9.479 0.933 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -13.222 -10.348 -0.236 1.00 0.00 H new ATOM 77 N LYS A 6 -7.876 -10.065 -1.456 1.00 0.00 N ATOM 78 CA LYS A 6 -6.515 -10.000 -1.034 1.00 0.00 C ATOM 79 C LYS A 6 -5.844 -8.890 -1.776 1.00 0.00 C ATOM 80 O LYS A 6 -5.869 -8.839 -3.003 1.00 0.00 O ATOM 81 CB LYS A 6 -5.808 -11.348 -1.220 1.00 0.00 C ATOM 82 CG LYS A 6 -4.325 -11.345 -0.852 1.00 0.00 C ATOM 83 CD LYS A 6 -3.757 -12.763 -0.748 1.00 0.00 C ATOM 84 CE LYS A 6 -3.986 -13.592 -2.011 1.00 0.00 C ATOM 85 NZ LYS A 6 -3.374 -12.997 -3.220 1.00 0.00 N ATOM 0 H LYS A 6 -8.018 -10.545 -2.345 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.464 -9.788 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.318 -12.097 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.910 -11.656 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.767 -10.785 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.188 -10.829 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.687 -12.706 -0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.215 -13.271 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.578 -14.592 -1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.058 -13.706 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.565 -13.606 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.780 -12.054 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.347 -12.912 -3.083 1.00 0.00 H new ATOM 99 N LEU A 7 -5.265 -8.010 -1.039 1.00 0.00 N ATOM 100 CA LEU A 7 -4.707 -6.831 -1.581 1.00 0.00 C ATOM 101 C LEU A 7 -3.305 -7.075 -2.053 1.00 0.00 C ATOM 102 O LEU A 7 -2.413 -7.399 -1.261 1.00 0.00 O ATOM 103 CB LEU A 7 -4.763 -5.672 -0.564 1.00 0.00 C ATOM 104 CG LEU A 7 -6.168 -5.172 -0.145 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.037 -4.916 -1.342 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.862 -6.107 0.823 1.00 0.00 C ATOM 0 H LEU A 7 -5.166 -8.094 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.305 -6.539 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.232 -5.984 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.214 -4.828 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.009 -4.230 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.016 -4.566 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.574 -4.157 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.154 -5.838 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.841 -5.703 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.983 -7.086 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.262 -6.205 1.727 1.00 0.00 H new ATOM 118 N VAL A 8 -3.141 -6.996 -3.346 1.00 0.00 N ATOM 119 CA VAL A 8 -1.857 -7.115 -3.958 1.00 0.00 C ATOM 120 C VAL A 8 -1.325 -5.715 -4.156 1.00 0.00 C ATOM 121 O VAL A 8 -1.889 -4.928 -4.928 1.00 0.00 O ATOM 122 CB VAL A 8 -1.944 -7.829 -5.335 1.00 0.00 C ATOM 123 CG1 VAL A 8 -0.558 -8.039 -5.936 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.680 -9.154 -5.212 1.00 0.00 C ATOM 0 H VAL A 8 -3.905 -6.846 -4.005 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.204 -7.711 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.509 -7.184 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.651 -8.541 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.072 -7.073 -6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.041 -8.653 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.728 -9.635 -6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.149 -9.802 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.691 -8.976 -4.845 1.00 0.00 H new ATOM 134 N LEU A 9 -0.297 -5.396 -3.438 1.00 0.00 N ATOM 135 CA LEU A 9 0.320 -4.105 -3.513 1.00 0.00 C ATOM 136 C LEU A 9 1.642 -4.285 -4.251 1.00 0.00 C ATOM 137 O LEU A 9 2.544 -4.970 -3.767 1.00 0.00 O ATOM 138 CB LEU A 9 0.490 -3.547 -2.067 1.00 0.00 C ATOM 139 CG LEU A 9 0.871 -2.055 -1.885 1.00 0.00 C ATOM 140 CD1 LEU A 9 0.625 -1.637 -0.446 1.00 0.00 C ATOM 141 CD2 LEU A 9 2.330 -1.807 -2.214 1.00 0.00 C ATOM 0 H LEU A 9 0.146 -6.031 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.280 -3.377 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.446 -3.716 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.252 -4.146 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 9 0.253 -1.472 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.894 -0.588 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.429 -1.773 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.233 -2.249 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.560 -0.751 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.959 -2.405 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.522 -2.087 -3.250 1.00 0.00 H new ATOM 153 N ASP A 10 1.712 -3.744 -5.439 1.00 0.00 N ATOM 154 CA ASP A 10 2.880 -3.889 -6.301 1.00 0.00 C ATOM 155 C ASP A 10 4.036 -3.047 -5.771 1.00 0.00 C ATOM 156 O ASP A 10 4.014 -1.817 -5.852 1.00 0.00 O ATOM 157 CB ASP A 10 2.530 -3.464 -7.725 1.00 0.00 C ATOM 158 CG ASP A 10 3.561 -3.880 -8.733 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.679 -3.340 -8.744 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.278 -4.777 -9.540 1.00 0.00 O ATOM 0 H ASP A 10 0.963 -3.186 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 10 3.186 -4.935 -6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.567 -3.894 -8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.416 -2.380 -7.757 1.00 0.00 H new ATOM 165 N LEU A 11 5.039 -3.704 -5.245 1.00 0.00 N ATOM 166 CA LEU A 11 6.144 -3.022 -4.596 1.00 0.00 C ATOM 167 C LEU A 11 7.114 -2.418 -5.595 1.00 0.00 C ATOM 168 O LEU A 11 7.844 -1.478 -5.268 1.00 0.00 O ATOM 169 CB LEU A 11 6.887 -3.956 -3.633 1.00 0.00 C ATOM 170 CG LEU A 11 6.078 -4.525 -2.458 1.00 0.00 C ATOM 171 CD1 LEU A 11 6.953 -5.405 -1.584 1.00 0.00 C ATOM 172 CD2 LEU A 11 5.475 -3.410 -1.631 1.00 0.00 C ATOM 0 H LEU A 11 5.118 -4.721 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 11 5.709 -2.204 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.284 -4.792 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.742 -3.415 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 11 5.269 -5.130 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.362 -5.799 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.344 -6.232 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.782 -4.817 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.907 -3.837 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.271 -2.778 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.813 -2.811 -2.256 1.00 0.00 H new ATOM 184 N GLU A 12 7.114 -2.916 -6.805 1.00 0.00 N ATOM 185 CA GLU A 12 8.030 -2.405 -7.795 1.00 0.00 C ATOM 186 C GLU A 12 7.465 -1.141 -8.420 1.00 0.00 C ATOM 187 O GLU A 12 8.183 -0.163 -8.619 1.00 0.00 O ATOM 188 CB GLU A 12 8.402 -3.467 -8.826 1.00 0.00 C ATOM 189 CG GLU A 12 8.976 -4.725 -8.183 1.00 0.00 C ATOM 190 CD GLU A 12 9.616 -5.676 -9.162 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.902 -6.436 -9.855 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.854 -5.693 -9.246 1.00 0.00 O ATOM 0 H GLU A 12 6.500 -3.664 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 12 8.966 -2.138 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.518 -3.730 -9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.131 -3.053 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.716 -4.434 -7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.178 -5.247 -7.654 1.00 0.00 H new ATOM 199 N ARG A 13 6.159 -1.136 -8.662 1.00 0.00 N ATOM 200 CA ARG A 13 5.476 0.057 -9.137 1.00 0.00 C ATOM 201 C ARG A 13 5.523 1.121 -8.042 1.00 0.00 C ATOM 202 O ARG A 13 5.614 2.315 -8.324 1.00 0.00 O ATOM 203 CB ARG A 13 4.015 -0.254 -9.541 1.00 0.00 C ATOM 204 CG ARG A 13 3.191 0.970 -9.948 1.00 0.00 C ATOM 205 CD ARG A 13 3.774 1.683 -11.154 1.00 0.00 C ATOM 206 NE ARG A 13 3.107 2.965 -11.395 1.00 0.00 N ATOM 207 CZ ARG A 13 3.678 4.028 -11.974 1.00 0.00 C ATOM 208 NH1 ARG A 13 4.886 3.919 -12.535 1.00 0.00 N ATOM 209 NH2 ARG A 13 3.029 5.186 -12.021 1.00 0.00 N ATOM 0 H ARG A 13 5.553 -1.947 -8.536 1.00 0.00 H new ATOM 0 HA ARG A 13 5.982 0.427 -10.029 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.024 -0.961 -10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.519 -0.748 -8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.170 0.660 -10.171 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.137 1.664 -9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.840 1.850 -10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.675 1.049 -12.035 1.00 0.00 H new ATOM 0 HE ARG A 13 2.135 3.054 -11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.375 3.024 -12.523 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.319 4.731 -12.976 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.096 5.265 -11.616 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.463 5.997 -12.462 1.00 0.00 H new ATOM 223 N LEU A 14 5.509 0.666 -6.797 1.00 0.00 N ATOM 224 CA LEU A 14 5.599 1.539 -5.630 1.00 0.00 C ATOM 225 C LEU A 14 6.930 2.311 -5.628 1.00 0.00 C ATOM 226 O LEU A 14 7.007 3.447 -5.153 1.00 0.00 O ATOM 227 CB LEU A 14 5.484 0.710 -4.348 1.00 0.00 C ATOM 228 CG LEU A 14 5.492 1.490 -3.038 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.264 2.373 -2.940 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.579 0.545 -1.851 1.00 0.00 C ATOM 0 H LEU A 14 5.435 -0.324 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 14 4.780 2.256 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.562 0.131 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.308 -0.004 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 14 6.374 2.131 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.285 2.923 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.255 3.077 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.367 1.755 -2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.583 1.122 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.720 -0.126 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.496 -0.040 -1.918 1.00 0.00 H new ATOM 242 N ALA A 15 7.965 1.695 -6.173 1.00 0.00 N ATOM 243 CA ALA A 15 9.276 2.318 -6.242 1.00 0.00 C ATOM 244 C ALA A 15 9.280 3.461 -7.249 1.00 0.00 C ATOM 245 O ALA A 15 9.965 4.461 -7.071 1.00 0.00 O ATOM 246 CB ALA A 15 10.339 1.293 -6.588 1.00 0.00 C ATOM 0 H ALA A 15 7.922 0.759 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 15 9.508 2.731 -5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.313 1.780 -6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.358 0.516 -5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.111 0.845 -7.555 1.00 0.00 H new ATOM 252 N THR A 16 8.478 3.323 -8.281 1.00 0.00 N ATOM 253 CA THR A 16 8.389 4.328 -9.315 1.00 0.00 C ATOM 254 C THR A 16 7.368 5.436 -8.978 1.00 0.00 C ATOM 255 O THR A 16 7.085 6.319 -9.807 1.00 0.00 O ATOM 256 CB THR A 16 8.100 3.679 -10.688 1.00 0.00 C ATOM 257 OG1 THR A 16 7.053 2.698 -10.560 1.00 0.00 O ATOM 258 CG2 THR A 16 9.353 3.009 -11.239 1.00 0.00 C ATOM 0 H THR A 16 7.872 2.515 -8.426 1.00 0.00 H new ATOM 0 HA THR A 16 9.360 4.819 -9.372 1.00 0.00 H new ATOM 0 HB THR A 16 7.784 4.463 -11.376 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.518 2.893 -9.762 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.129 2.558 -12.206 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.141 3.753 -11.359 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.687 2.236 -10.547 1.00 0.00 H new ATOM 266 N VAL A 17 6.836 5.393 -7.771 1.00 0.00 N ATOM 267 CA VAL A 17 5.929 6.417 -7.287 1.00 0.00 C ATOM 268 C VAL A 17 6.752 7.428 -6.489 1.00 0.00 C ATOM 269 O VAL A 17 7.568 7.019 -5.655 1.00 0.00 O ATOM 270 CB VAL A 17 4.799 5.815 -6.390 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.890 6.903 -5.828 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.973 4.818 -7.181 1.00 0.00 C ATOM 0 H VAL A 17 7.020 4.648 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 17 5.439 6.895 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 17 5.280 5.307 -5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.117 6.447 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.479 7.593 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.424 7.448 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.190 4.407 -6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.519 5.319 -8.036 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.616 4.011 -7.532 1.00 0.00 H new ATOM 282 N PRO A 18 6.591 8.750 -6.777 1.00 0.00 N ATOM 283 CA PRO A 18 7.336 9.842 -6.114 1.00 0.00 C ATOM 284 C PRO A 18 7.456 9.696 -4.592 1.00 0.00 C ATOM 285 O PRO A 18 6.493 9.290 -3.898 1.00 0.00 O ATOM 286 CB PRO A 18 6.508 11.072 -6.460 1.00 0.00 C ATOM 287 CG PRO A 18 5.963 10.766 -7.804 1.00 0.00 C ATOM 288 CD PRO A 18 5.674 9.288 -7.808 1.00 0.00 C ATOM 0 HA PRO A 18 8.372 9.870 -6.453 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.712 11.235 -5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.119 11.975 -6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.058 11.341 -7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.679 11.026 -8.584 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.632 9.083 -7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.866 8.845 -8.785 1.00 0.00 H new ATOM 296 N ALA A 19 8.618 10.087 -4.084 1.00 0.00 N ATOM 297 CA ALA A 19 8.984 9.997 -2.674 1.00 0.00 C ATOM 298 C ALA A 19 8.040 10.806 -1.808 1.00 0.00 C ATOM 299 O ALA A 19 7.838 10.490 -0.640 1.00 0.00 O ATOM 300 CB ALA A 19 10.412 10.473 -2.481 1.00 0.00 C ATOM 0 H ALA A 19 9.357 10.489 -4.661 1.00 0.00 H new ATOM 0 HA ALA A 19 8.907 8.954 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.679 10.403 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.086 9.849 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.498 11.509 -2.809 1.00 0.00 H new ATOM 306 N GLU A 20 7.460 11.840 -2.398 1.00 0.00 N ATOM 307 CA GLU A 20 6.463 12.685 -1.748 1.00 0.00 C ATOM 308 C GLU A 20 5.318 11.827 -1.207 1.00 0.00 C ATOM 309 O GLU A 20 4.827 12.036 -0.104 1.00 0.00 O ATOM 310 CB GLU A 20 5.865 13.637 -2.772 1.00 0.00 C ATOM 311 CG GLU A 20 6.848 14.542 -3.479 1.00 0.00 C ATOM 312 CD GLU A 20 6.173 15.289 -4.597 1.00 0.00 C ATOM 313 OE1 GLU A 20 5.566 16.358 -4.346 1.00 0.00 O ATOM 314 OE2 GLU A 20 6.180 14.798 -5.736 1.00 0.00 O ATOM 0 H GLU A 20 7.670 12.122 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 20 6.949 13.229 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.336 13.049 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.122 14.258 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.275 15.249 -2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.674 13.951 -3.876 1.00 0.00 H new ATOM 321 N LYS A 21 4.941 10.836 -1.991 1.00 0.00 N ATOM 322 CA LYS A 21 3.798 10.012 -1.681 1.00 0.00 C ATOM 323 C LYS A 21 4.206 8.661 -1.108 1.00 0.00 C ATOM 324 O LYS A 21 3.735 8.262 -0.049 1.00 0.00 O ATOM 325 CB LYS A 21 2.953 9.793 -2.941 1.00 0.00 C ATOM 326 CG LYS A 21 2.372 11.059 -3.552 1.00 0.00 C ATOM 327 CD LYS A 21 1.566 10.726 -4.798 1.00 0.00 C ATOM 328 CE LYS A 21 0.858 11.940 -5.383 1.00 0.00 C ATOM 329 NZ LYS A 21 1.791 12.980 -5.865 1.00 0.00 N ATOM 0 H LYS A 21 5.418 10.583 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 21 3.215 10.537 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.568 9.295 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.134 9.116 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.736 11.563 -2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.176 11.750 -3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.229 10.300 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.827 9.962 -4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.223 11.620 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.203 12.371 -4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.250 13.780 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.381 13.311 -5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.400 12.583 -6.609 1.00 0.00 H new ATOM 343 N ALA A 22 5.102 7.977 -1.794 1.00 0.00 N ATOM 344 CA ALA A 22 5.448 6.609 -1.437 1.00 0.00 C ATOM 345 C ALA A 22 6.670 6.512 -0.537 1.00 0.00 C ATOM 346 O ALA A 22 7.052 5.418 -0.158 1.00 0.00 O ATOM 347 CB ALA A 22 5.665 5.790 -2.694 1.00 0.00 C ATOM 0 H ALA A 22 5.605 8.344 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 22 4.609 6.212 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.924 4.767 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.751 5.787 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.476 6.226 -3.277 1.00 0.00 H new ATOM 353 N GLY A 23 7.232 7.650 -0.165 1.00 0.00 N ATOM 354 CA GLY A 23 8.478 7.706 0.622 1.00 0.00 C ATOM 355 C GLY A 23 8.518 6.779 1.838 1.00 0.00 C ATOM 356 O GLY A 23 9.260 5.775 1.826 1.00 0.00 O ATOM 0 H GLY A 23 6.847 8.566 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.314 7.459 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.630 8.731 0.960 1.00 0.00 H new ATOM 360 N PRO A 24 7.728 7.059 2.894 1.00 0.00 N ATOM 361 CA PRO A 24 7.701 6.226 4.108 1.00 0.00 C ATOM 362 C PRO A 24 7.075 4.852 3.844 1.00 0.00 C ATOM 363 O PRO A 24 7.315 3.881 4.578 1.00 0.00 O ATOM 364 CB PRO A 24 6.817 7.028 5.078 1.00 0.00 C ATOM 365 CG PRO A 24 6.749 8.403 4.505 1.00 0.00 C ATOM 366 CD PRO A 24 6.837 8.228 3.025 1.00 0.00 C ATOM 0 HA PRO A 24 8.703 6.028 4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.824 6.587 5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.245 7.041 6.081 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.820 8.899 4.786 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.566 9.022 4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.859 8.045 2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.250 9.110 2.536 1.00 0.00 H new ATOM 374 N LEU A 25 6.320 4.772 2.776 1.00 0.00 N ATOM 375 CA LEU A 25 5.608 3.570 2.403 1.00 0.00 C ATOM 376 C LEU A 25 6.572 2.515 1.854 1.00 0.00 C ATOM 377 O LEU A 25 6.453 1.332 2.175 1.00 0.00 O ATOM 378 CB LEU A 25 4.471 3.926 1.426 1.00 0.00 C ATOM 379 CG LEU A 25 3.626 2.782 0.851 1.00 0.00 C ATOM 380 CD1 LEU A 25 3.045 1.914 1.953 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.502 3.359 0.015 1.00 0.00 C ATOM 0 H LEU A 25 6.179 5.550 2.131 1.00 0.00 H new ATOM 0 HA LEU A 25 5.147 3.123 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.797 4.614 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.909 4.470 0.589 1.00 0.00 H new ATOM 0 HG LEU A 25 4.272 2.158 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.452 1.113 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.855 1.483 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.411 2.522 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.900 2.548 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.875 3.997 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.921 3.948 -0.801 1.00 0.00 H new ATOM 393 N GLN A 26 7.563 2.959 1.081 1.00 0.00 N ATOM 394 CA GLN A 26 8.604 2.061 0.564 1.00 0.00 C ATOM 395 C GLN A 26 9.396 1.484 1.735 1.00 0.00 C ATOM 396 O GLN A 26 9.795 0.322 1.732 1.00 0.00 O ATOM 397 CB GLN A 26 9.551 2.808 -0.383 1.00 0.00 C ATOM 398 CG GLN A 26 8.865 3.421 -1.597 1.00 0.00 C ATOM 399 CD GLN A 26 9.807 4.230 -2.468 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.803 4.786 -1.989 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.473 4.367 -3.725 1.00 0.00 N ATOM 0 H GLN A 26 7.670 3.933 0.798 1.00 0.00 H new ATOM 0 HA GLN A 26 8.127 1.257 0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.054 3.599 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.323 2.119 -0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.420 2.626 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.050 4.062 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.645 3.894 -4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.041 4.947 -4.343 1.00 0.00 H new ATOM 410 N ARG A 27 9.573 2.307 2.761 1.00 0.00 N ATOM 411 CA ARG A 27 10.274 1.887 3.969 1.00 0.00 C ATOM 412 C ARG A 27 9.474 0.861 4.738 1.00 0.00 C ATOM 413 O ARG A 27 10.028 -0.125 5.215 1.00 0.00 O ATOM 414 CB ARG A 27 10.649 3.066 4.882 1.00 0.00 C ATOM 415 CG ARG A 27 11.931 3.803 4.499 1.00 0.00 C ATOM 416 CD ARG A 27 11.836 4.460 3.146 1.00 0.00 C ATOM 417 NE ARG A 27 13.103 5.050 2.723 1.00 0.00 N ATOM 418 CZ ARG A 27 13.223 5.953 1.755 1.00 0.00 C ATOM 419 NH1 ARG A 27 12.135 6.484 1.206 1.00 0.00 N ATOM 420 NH2 ARG A 27 14.428 6.349 1.353 1.00 0.00 N ATOM 0 H ARG A 27 9.240 3.271 2.781 1.00 0.00 H new ATOM 0 HA ARG A 27 11.206 1.430 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.825 3.780 4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.752 2.696 5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.150 4.560 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.765 3.101 4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.518 3.723 2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.069 5.234 3.174 1.00 0.00 H new ATOM 0 HE ARG A 27 13.952 4.749 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.210 6.198 1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.225 7.177 0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.264 5.959 1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.515 7.042 0.610 1.00 0.00 H new ATOM 434 N TYR A 28 8.166 1.071 4.831 1.00 0.00 N ATOM 435 CA TYR A 28 7.308 0.133 5.535 1.00 0.00 C ATOM 436 C TYR A 28 7.308 -1.201 4.808 1.00 0.00 C ATOM 437 O TYR A 28 7.344 -2.257 5.432 1.00 0.00 O ATOM 438 CB TYR A 28 5.878 0.671 5.685 1.00 0.00 C ATOM 439 CG TYR A 28 4.996 -0.224 6.544 1.00 0.00 C ATOM 440 CD1 TYR A 28 5.111 -0.219 7.927 1.00 0.00 C ATOM 441 CD2 TYR A 28 4.081 -1.093 5.974 1.00 0.00 C ATOM 442 CE1 TYR A 28 4.340 -1.049 8.718 1.00 0.00 C ATOM 443 CE2 TYR A 28 3.312 -1.929 6.757 1.00 0.00 C ATOM 444 CZ TYR A 28 3.442 -1.902 8.127 1.00 0.00 C ATOM 445 OH TYR A 28 2.678 -2.755 8.906 1.00 0.00 O ATOM 0 H TYR A 28 7.683 1.875 4.431 1.00 0.00 H new ATOM 0 HA TYR A 28 7.705 -0.004 6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.914 1.667 6.125 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.429 0.775 4.697 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.819 0.449 8.395 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.968 -1.117 4.900 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.443 -1.027 9.793 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.608 -2.605 6.295 1.00 0.00 H new ATOM 0 HH TYR A 28 2.094 -3.290 8.329 1.00 0.00 H new ATOM 455 N ALA A 29 7.307 -1.133 3.488 1.00 0.00 N ATOM 456 CA ALA A 29 7.378 -2.313 2.642 1.00 0.00 C ATOM 457 C ALA A 29 8.647 -3.111 2.946 1.00 0.00 C ATOM 458 O ALA A 29 8.603 -4.336 3.074 1.00 0.00 O ATOM 459 CB ALA A 29 7.331 -1.920 1.178 1.00 0.00 C ATOM 0 H ALA A 29 7.257 -0.255 2.971 1.00 0.00 H new ATOM 0 HA ALA A 29 6.515 -2.945 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.385 -2.816 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.399 -1.393 0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.175 -1.269 0.949 1.00 0.00 H new ATOM 465 N ALA A 30 9.765 -2.406 3.106 1.00 0.00 N ATOM 466 CA ALA A 30 11.032 -3.043 3.449 1.00 0.00 C ATOM 467 C ALA A 30 10.943 -3.691 4.827 1.00 0.00 C ATOM 468 O ALA A 30 11.422 -4.809 5.037 1.00 0.00 O ATOM 469 CB ALA A 30 12.164 -2.037 3.403 1.00 0.00 C ATOM 0 H ALA A 30 9.818 -1.393 3.003 1.00 0.00 H new ATOM 0 HA ALA A 30 11.239 -3.821 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.101 -2.531 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.239 -1.620 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.968 -1.236 4.115 1.00 0.00 H new ATOM 475 N THR A 31 10.305 -2.996 5.756 1.00 0.00 N ATOM 476 CA THR A 31 10.081 -3.506 7.089 1.00 0.00 C ATOM 477 C THR A 31 9.221 -4.795 7.035 1.00 0.00 C ATOM 478 O THR A 31 9.454 -5.743 7.790 1.00 0.00 O ATOM 479 CB THR A 31 9.418 -2.418 7.972 1.00 0.00 C ATOM 480 OG1 THR A 31 10.256 -1.245 7.963 1.00 0.00 O ATOM 481 CG2 THR A 31 9.254 -2.893 9.410 1.00 0.00 C ATOM 0 H THR A 31 9.929 -2.061 5.601 1.00 0.00 H new ATOM 0 HA THR A 31 11.040 -3.765 7.538 1.00 0.00 H new ATOM 0 HB THR A 31 8.430 -2.199 7.568 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.188 -0.801 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.786 -2.106 10.002 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.626 -3.784 9.430 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.232 -3.129 9.829 1.00 0.00 H new ATOM 489 N ILE A 32 8.264 -4.833 6.118 1.00 0.00 N ATOM 490 CA ILE A 32 7.443 -6.018 5.919 1.00 0.00 C ATOM 491 C ILE A 32 8.295 -7.152 5.390 1.00 0.00 C ATOM 492 O ILE A 32 8.215 -8.262 5.884 1.00 0.00 O ATOM 493 CB ILE A 32 6.249 -5.771 4.954 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.320 -4.700 5.508 1.00 0.00 C ATOM 495 CG2 ILE A 32 5.469 -7.062 4.708 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.719 -5.051 6.849 1.00 0.00 C ATOM 0 H ILE A 32 8.037 -4.055 5.499 1.00 0.00 H new ATOM 0 HA ILE A 32 7.024 -6.279 6.891 1.00 0.00 H new ATOM 0 HB ILE A 32 6.656 -5.425 4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.873 -3.765 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.515 -4.525 4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.639 -6.862 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.129 -7.807 4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.081 -7.439 5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.069 -4.241 7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.138 -5.969 6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.516 -5.197 7.578 1.00 0.00 H new ATOM 508 N GLN A 33 9.130 -6.850 4.416 1.00 0.00 N ATOM 509 CA GLN A 33 10.038 -7.831 3.833 1.00 0.00 C ATOM 510 C GLN A 33 10.961 -8.419 4.874 1.00 0.00 C ATOM 511 O GLN A 33 11.182 -9.634 4.913 1.00 0.00 O ATOM 512 CB GLN A 33 10.837 -7.214 2.703 1.00 0.00 C ATOM 513 CG GLN A 33 10.014 -6.934 1.477 1.00 0.00 C ATOM 514 CD GLN A 33 9.409 -8.203 0.947 1.00 0.00 C ATOM 515 OE1 GLN A 33 8.289 -8.583 1.294 1.00 0.00 O ATOM 516 NE2 GLN A 33 10.157 -8.896 0.159 1.00 0.00 N ATOM 0 H GLN A 33 9.202 -5.920 4.003 1.00 0.00 H new ATOM 0 HA GLN A 33 9.432 -8.642 3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.286 -6.284 3.051 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.655 -7.884 2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.225 -6.221 1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.638 -6.474 0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.079 -8.548 -0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.827 -9.792 -0.200 1.00 0.00 H new ATOM 525 N SER A 34 11.453 -7.568 5.743 1.00 0.00 N ATOM 526 CA SER A 34 12.305 -7.991 6.822 1.00 0.00 C ATOM 527 C SER A 34 11.526 -8.905 7.801 1.00 0.00 C ATOM 528 O SER A 34 12.087 -9.821 8.387 1.00 0.00 O ATOM 529 CB SER A 34 12.873 -6.771 7.531 1.00 0.00 C ATOM 530 OG SER A 34 13.577 -5.926 6.615 1.00 0.00 O ATOM 0 H SER A 34 11.272 -6.564 5.720 1.00 0.00 H new ATOM 0 HA SER A 34 13.135 -8.573 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.065 -6.210 8.001 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.545 -7.089 8.328 1.00 0.00 H new ATOM 0 HG SER A 34 12.937 -5.487 6.017 1.00 0.00 H new ATOM 536 N GLN A 35 10.230 -8.674 7.929 1.00 0.00 N ATOM 537 CA GLN A 35 9.389 -9.506 8.771 1.00 0.00 C ATOM 538 C GLN A 35 9.019 -10.811 8.058 1.00 0.00 C ATOM 539 O GLN A 35 8.885 -11.848 8.692 1.00 0.00 O ATOM 540 CB GLN A 35 8.128 -8.754 9.214 1.00 0.00 C ATOM 541 CG GLN A 35 8.402 -7.588 10.156 1.00 0.00 C ATOM 542 CD GLN A 35 7.147 -6.833 10.538 1.00 0.00 C ATOM 543 OE1 GLN A 35 6.476 -7.162 11.519 1.00 0.00 O ATOM 544 NE2 GLN A 35 6.823 -5.821 9.786 1.00 0.00 N ATOM 0 H GLN A 35 9.737 -7.915 7.459 1.00 0.00 H new ATOM 0 HA GLN A 35 9.961 -9.756 9.664 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.611 -8.380 8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.453 -9.455 9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.884 -7.962 11.059 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.103 -6.901 9.682 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.401 -5.577 8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.991 -5.272 10.001 1.00 0.00 H new ATOM 553 N ARG A 36 8.882 -10.759 6.739 1.00 0.00 N ATOM 554 CA ARG A 36 8.523 -11.942 5.946 1.00 0.00 C ATOM 555 C ARG A 36 9.695 -12.920 5.858 1.00 0.00 C ATOM 556 O ARG A 36 9.491 -14.136 5.722 1.00 0.00 O ATOM 557 CB ARG A 36 8.105 -11.540 4.515 1.00 0.00 C ATOM 558 CG ARG A 36 6.810 -10.737 4.391 1.00 0.00 C ATOM 559 CD ARG A 36 5.597 -11.530 4.855 1.00 0.00 C ATOM 560 NE ARG A 36 4.323 -10.843 4.550 1.00 0.00 N ATOM 561 CZ ARG A 36 3.118 -11.203 5.042 1.00 0.00 C ATOM 562 NH1 ARG A 36 3.031 -12.188 5.931 1.00 0.00 N ATOM 563 NH2 ARG A 36 2.000 -10.578 4.627 1.00 0.00 N ATOM 0 H ARG A 36 9.013 -9.910 6.189 1.00 0.00 H new ATOM 0 HA ARG A 36 7.685 -12.424 6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.913 -10.957 4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.004 -12.448 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.893 -9.824 4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.669 -10.435 3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.602 -12.509 4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.667 -11.700 5.929 1.00 0.00 H new ATOM 0 HE ARG A 36 4.357 -10.039 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.874 -12.671 6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.121 -12.460 6.303 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.061 -9.829 3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.092 -10.854 5.002 1.00 0.00 H new ATOM 577 N GLY A 37 10.910 -12.387 5.956 1.00 0.00 N ATOM 578 CA GLY A 37 12.109 -13.208 5.886 1.00 0.00 C ATOM 579 C GLY A 37 12.236 -13.890 4.537 1.00 0.00 C ATOM 580 O GLY A 37 12.710 -15.035 4.438 1.00 0.00 O ATOM 0 H GLY A 37 11.087 -11.391 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.987 -12.588 6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.083 -13.960 6.674 1.00 0.00 H new ATOM 584 N ASP A 38 11.824 -13.192 3.506 1.00 0.00 N ATOM 585 CA ASP A 38 11.810 -13.722 2.156 1.00 0.00 C ATOM 586 C ASP A 38 12.134 -12.578 1.241 1.00 0.00 C ATOM 587 O ASP A 38 11.872 -11.430 1.598 1.00 0.00 O ATOM 588 CB ASP A 38 10.421 -14.276 1.826 1.00 0.00 C ATOM 589 CG ASP A 38 10.408 -15.118 0.575 1.00 0.00 C ATOM 590 OD1 ASP A 38 10.651 -16.343 0.680 1.00 0.00 O ATOM 591 OD2 ASP A 38 10.151 -14.593 -0.530 1.00 0.00 O ATOM 0 H ASP A 38 11.486 -12.232 3.577 1.00 0.00 H new ATOM 0 HA ASP A 38 12.531 -14.532 2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.065 -14.875 2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.723 -13.447 1.707 1.00 0.00 H new ATOM 596 N TYR A 39 12.698 -12.844 0.083 1.00 0.00 N ATOM 597 CA TYR A 39 13.108 -11.747 -0.765 1.00 0.00 C ATOM 598 C TYR A 39 12.083 -11.382 -1.829 1.00 0.00 C ATOM 599 O TYR A 39 12.316 -10.458 -2.614 1.00 0.00 O ATOM 600 CB TYR A 39 14.508 -11.946 -1.372 1.00 0.00 C ATOM 601 CG TYR A 39 14.666 -13.086 -2.367 1.00 0.00 C ATOM 602 CD1 TYR A 39 14.384 -12.896 -3.717 1.00 0.00 C ATOM 603 CD2 TYR A 39 15.130 -14.328 -1.967 1.00 0.00 C ATOM 604 CE1 TYR A 39 14.553 -13.908 -4.630 1.00 0.00 C ATOM 605 CE2 TYR A 39 15.311 -15.349 -2.882 1.00 0.00 C ATOM 606 CZ TYR A 39 15.017 -15.131 -4.212 1.00 0.00 C ATOM 607 OH TYR A 39 15.206 -16.136 -5.135 1.00 0.00 O ATOM 0 H TYR A 39 12.879 -13.778 -0.284 1.00 0.00 H new ATOM 0 HA TYR A 39 13.171 -10.890 -0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.799 -11.020 -1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 39 15.213 -12.106 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.025 -11.934 -4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.354 -14.502 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.322 -13.743 -5.672 1.00 0.00 H new ATOM 0 HE2 TYR A 39 15.680 -16.311 -2.557 1.00 0.00 H new ATOM 0 HH TYR A 39 15.539 -16.938 -4.681 1.00 0.00 H new ATOM 617 N ASN A 40 10.953 -12.073 -1.861 1.00 0.00 N ATOM 618 CA ASN A 40 9.911 -11.731 -2.833 1.00 0.00 C ATOM 619 C ASN A 40 9.258 -10.433 -2.444 1.00 0.00 C ATOM 620 O ASN A 40 8.364 -10.399 -1.605 1.00 0.00 O ATOM 621 CB ASN A 40 8.839 -12.816 -2.981 1.00 0.00 C ATOM 622 CG ASN A 40 7.731 -12.424 -3.975 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.965 -11.689 -4.953 1.00 0.00 O ATOM 624 ND2 ASN A 40 6.533 -12.888 -3.735 1.00 0.00 N ATOM 0 H ASN A 40 10.732 -12.855 -1.245 1.00 0.00 H new ATOM 0 HA ASN A 40 10.406 -11.639 -3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.308 -13.742 -3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.393 -13.016 -2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.760 -12.650 -4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.371 -13.488 -2.926 1.00 0.00 H new ATOM 631 N GLY A 41 9.763 -9.368 -2.991 1.00 0.00 N ATOM 632 CA GLY A 41 9.234 -8.072 -2.716 1.00 0.00 C ATOM 633 C GLY A 41 8.865 -7.397 -3.971 1.00 0.00 C ATOM 634 O GLY A 41 9.128 -6.220 -4.161 1.00 0.00 O ATOM 0 H GLY A 41 10.551 -9.376 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.360 -8.157 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.972 -7.477 -2.178 1.00 0.00 H new ATOM 638 N LYS A 42 8.286 -8.149 -4.857 1.00 0.00 N ATOM 639 CA LYS A 42 7.877 -7.609 -6.122 1.00 0.00 C ATOM 640 C LYS A 42 6.455 -7.112 -5.981 1.00 0.00 C ATOM 641 O LYS A 42 6.072 -6.067 -6.510 1.00 0.00 O ATOM 642 CB LYS A 42 7.980 -8.674 -7.208 1.00 0.00 C ATOM 643 CG LYS A 42 9.322 -9.415 -7.231 1.00 0.00 C ATOM 644 CD LYS A 42 10.515 -8.464 -7.278 1.00 0.00 C ATOM 645 CE LYS A 42 11.830 -9.219 -7.396 1.00 0.00 C ATOM 646 NZ LYS A 42 11.930 -9.961 -8.672 1.00 0.00 N ATOM 0 H LYS A 42 8.085 -9.141 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 42 8.527 -6.783 -6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.179 -9.399 -7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.819 -8.205 -8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.400 -10.046 -6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.354 -10.075 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.407 -7.786 -8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.527 -7.850 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.660 -8.516 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.924 -9.916 -6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.917 -10.248 -8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.326 -10.807 -8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.617 -9.351 -9.454 1.00 0.00 H new ATOM 660 N VAL A 43 5.698 -7.866 -5.228 1.00 0.00 N ATOM 661 CA VAL A 43 4.340 -7.569 -4.879 1.00 0.00 C ATOM 662 C VAL A 43 4.168 -7.987 -3.434 1.00 0.00 C ATOM 663 O VAL A 43 4.923 -8.845 -2.949 1.00 0.00 O ATOM 664 CB VAL A 43 3.290 -8.327 -5.767 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.350 -7.879 -7.223 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.474 -9.840 -5.673 1.00 0.00 C ATOM 0 H VAL A 43 6.029 -8.742 -4.825 1.00 0.00 H new ATOM 0 HA VAL A 43 4.158 -6.506 -5.039 1.00 0.00 H new ATOM 0 HB VAL A 43 2.305 -8.072 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.608 -8.427 -7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.141 -6.811 -7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.344 -8.078 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.732 -10.336 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.474 -10.107 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.347 -10.158 -4.638 1.00 0.00 H new ATOM 676 N LEU A 44 3.260 -7.379 -2.750 1.00 0.00 N ATOM 677 CA LEU A 44 2.997 -7.712 -1.381 1.00 0.00 C ATOM 678 C LEU A 44 1.534 -8.071 -1.218 1.00 0.00 C ATOM 679 O LEU A 44 0.667 -7.411 -1.785 1.00 0.00 O ATOM 680 CB LEU A 44 3.354 -6.535 -0.474 1.00 0.00 C ATOM 681 CG LEU A 44 3.198 -6.765 1.028 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.115 -7.890 1.496 1.00 0.00 C ATOM 683 CD2 LEU A 44 3.478 -5.480 1.791 1.00 0.00 C ATOM 0 H LEU A 44 2.673 -6.632 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 44 3.610 -8.568 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.388 -6.253 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.733 -5.685 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 44 2.170 -7.064 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.990 -8.039 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.860 -8.810 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.151 -7.626 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.363 -5.659 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.496 -5.150 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.776 -4.709 1.475 1.00 0.00 H new ATOM 695 N SER A 45 1.276 -9.122 -0.489 1.00 0.00 N ATOM 696 CA SER A 45 -0.063 -9.558 -0.216 1.00 0.00 C ATOM 697 C SER A 45 -0.465 -9.192 1.212 1.00 0.00 C ATOM 698 O SER A 45 0.200 -9.612 2.182 1.00 0.00 O ATOM 699 CB SER A 45 -0.129 -11.063 -0.426 1.00 0.00 C ATOM 700 OG SER A 45 0.948 -11.714 0.257 1.00 0.00 O ATOM 0 H SER A 45 1.998 -9.705 -0.064 1.00 0.00 H new ATOM 0 HA SER A 45 -0.761 -9.062 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.082 -11.445 -0.061 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.081 -11.290 -1.491 1.00 0.00 H new ATOM 0 HG SER A 45 1.007 -11.373 1.174 1.00 0.00 H new ATOM 706 N ILE A 46 -1.506 -8.399 1.338 1.00 0.00 N ATOM 707 CA ILE A 46 -2.035 -7.994 2.629 1.00 0.00 C ATOM 708 C ILE A 46 -3.561 -7.975 2.588 1.00 0.00 C ATOM 709 O ILE A 46 -4.167 -8.167 1.525 1.00 0.00 O ATOM 710 CB ILE A 46 -1.520 -6.585 3.068 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.753 -5.535 1.958 1.00 0.00 C ATOM 712 CG2 ILE A 46 -0.057 -6.629 3.509 1.00 0.00 C ATOM 713 CD1 ILE A 46 -1.322 -4.126 2.325 1.00 0.00 C ATOM 0 H ILE A 46 -2.016 -8.012 0.544 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.683 -8.724 3.358 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.103 -6.278 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.214 -5.845 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.813 -5.523 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.264 -5.631 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.048 -7.310 4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.562 -6.977 2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.522 -3.455 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.879 -3.791 3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.255 -4.119 2.549 1.00 0.00 H new ATOM 725 N ARG A 47 -4.171 -7.798 3.729 1.00 0.00 N ATOM 726 CA ARG A 47 -5.602 -7.646 3.839 1.00 0.00 C ATOM 727 C ARG A 47 -5.898 -6.220 4.222 1.00 0.00 C ATOM 728 O ARG A 47 -4.983 -5.461 4.557 1.00 0.00 O ATOM 729 CB ARG A 47 -6.168 -8.593 4.902 1.00 0.00 C ATOM 730 CG ARG A 47 -5.916 -10.058 4.618 1.00 0.00 C ATOM 731 CD ARG A 47 -6.547 -10.489 3.314 1.00 0.00 C ATOM 732 NE ARG A 47 -6.286 -11.896 3.015 1.00 0.00 N ATOM 733 CZ ARG A 47 -6.919 -12.598 2.078 1.00 0.00 C ATOM 734 NH1 ARG A 47 -7.869 -12.019 1.343 1.00 0.00 N ATOM 735 NH2 ARG A 47 -6.603 -13.865 1.870 1.00 0.00 N ATOM 0 H ARG A 47 -3.683 -7.754 4.624 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.068 -7.891 2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.731 -8.340 5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.242 -8.429 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.842 -10.243 4.582 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.316 -10.661 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.623 -10.322 3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.163 -9.869 2.504 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.569 -12.373 3.562 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.109 -11.040 1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.355 -12.555 0.624 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.873 -14.307 2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.090 -14.401 1.151 1.00 0.00 H new ATOM 749 N GLN A 48 -7.164 -5.855 4.198 1.00 0.00 N ATOM 750 CA GLN A 48 -7.609 -4.505 4.562 1.00 0.00 C ATOM 751 C GLN A 48 -7.272 -4.233 6.028 1.00 0.00 C ATOM 752 O GLN A 48 -6.978 -3.110 6.428 1.00 0.00 O ATOM 753 CB GLN A 48 -9.114 -4.382 4.334 1.00 0.00 C ATOM 754 CG GLN A 48 -9.944 -5.328 5.192 1.00 0.00 C ATOM 755 CD GLN A 48 -11.399 -5.233 4.906 1.00 0.00 C ATOM 756 OE1 GLN A 48 -12.101 -4.431 5.505 1.00 0.00 O ATOM 757 NE2 GLN A 48 -11.865 -6.063 4.011 1.00 0.00 N ATOM 0 H GLN A 48 -7.923 -6.480 3.926 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.097 -3.771 3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -9.421 -3.356 4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.330 -4.575 3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.611 -6.352 5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.769 -5.105 6.245 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -11.235 -6.712 3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.859 -6.062 3.783 1.00 0.00 H new ATOM 766 N ASP A 49 -7.277 -5.304 6.792 1.00 0.00 N ATOM 767 CA ASP A 49 -6.974 -5.300 8.209 1.00 0.00 C ATOM 768 C ASP A 49 -5.518 -4.923 8.442 1.00 0.00 C ATOM 769 O ASP A 49 -5.174 -4.271 9.428 1.00 0.00 O ATOM 770 CB ASP A 49 -7.273 -6.690 8.770 1.00 0.00 C ATOM 771 CG ASP A 49 -6.879 -6.859 10.208 1.00 0.00 C ATOM 772 OD1 ASP A 49 -7.585 -6.351 11.094 1.00 0.00 O ATOM 773 OD2 ASP A 49 -5.870 -7.539 10.480 1.00 0.00 O ATOM 0 H ASP A 49 -7.499 -6.233 6.433 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.589 -4.559 8.719 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.340 -6.891 8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.750 -7.434 8.170 1.00 0.00 H new ATOM 778 N ASP A 50 -4.675 -5.293 7.499 1.00 0.00 N ATOM 779 CA ASP A 50 -3.256 -4.991 7.578 1.00 0.00 C ATOM 780 C ASP A 50 -3.033 -3.603 7.028 1.00 0.00 C ATOM 781 O ASP A 50 -2.308 -2.797 7.613 1.00 0.00 O ATOM 782 CB ASP A 50 -2.419 -5.980 6.761 1.00 0.00 C ATOM 783 CG ASP A 50 -2.674 -7.425 7.096 1.00 0.00 C ATOM 784 OD1 ASP A 50 -2.327 -7.874 8.203 1.00 0.00 O ATOM 785 OD2 ASP A 50 -3.243 -8.135 6.259 1.00 0.00 O ATOM 0 H ASP A 50 -4.949 -5.807 6.662 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.947 -5.063 8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.622 -5.823 5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.363 -5.763 6.919 1.00 0.00 H new ATOM 790 N LEU A 51 -3.707 -3.323 5.905 1.00 0.00 N ATOM 791 CA LEU A 51 -3.645 -2.039 5.193 1.00 0.00 C ATOM 792 C LEU A 51 -4.023 -0.875 6.122 1.00 0.00 C ATOM 793 O LEU A 51 -3.492 0.236 5.997 1.00 0.00 O ATOM 794 CB LEU A 51 -4.590 -2.086 3.981 1.00 0.00 C ATOM 795 CG LEU A 51 -4.576 -0.875 3.041 1.00 0.00 C ATOM 796 CD1 LEU A 51 -3.206 -0.695 2.407 1.00 0.00 C ATOM 797 CD2 LEU A 51 -5.643 -1.028 1.969 1.00 0.00 C ATOM 0 H LEU A 51 -4.325 -3.998 5.455 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.623 -1.873 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.346 -2.972 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.607 -2.217 4.349 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.796 0.016 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.222 0.171 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.461 -0.540 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.951 -1.586 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.622 -0.161 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.450 -1.931 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.623 -1.102 2.439 1.00 0.00 H new ATOM 809 N ARG A 52 -4.919 -1.163 7.062 1.00 0.00 N ATOM 810 CA ARG A 52 -5.371 -0.215 8.079 1.00 0.00 C ATOM 811 C ARG A 52 -4.178 0.408 8.822 1.00 0.00 C ATOM 812 O ARG A 52 -4.137 1.614 9.026 1.00 0.00 O ATOM 813 CB ARG A 52 -6.298 -0.938 9.065 1.00 0.00 C ATOM 814 CG ARG A 52 -6.825 -0.081 10.207 1.00 0.00 C ATOM 815 CD ARG A 52 -7.747 -0.892 11.098 1.00 0.00 C ATOM 816 NE ARG A 52 -8.233 -0.132 12.254 1.00 0.00 N ATOM 817 CZ ARG A 52 -9.105 -0.598 13.156 1.00 0.00 C ATOM 818 NH1 ARG A 52 -9.646 -1.798 12.994 1.00 0.00 N ATOM 819 NH2 ARG A 52 -9.445 0.144 14.208 1.00 0.00 N ATOM 0 H ARG A 52 -5.360 -2.079 7.141 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.916 0.594 7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.147 -1.340 8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.761 -1.787 9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.992 0.307 10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.361 0.780 9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.599 -1.238 10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.219 -1.779 11.448 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.882 0.818 12.379 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.397 -2.364 12.183 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.311 -2.155 13.681 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.040 1.072 14.329 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.110 -0.216 14.892 1.00 0.00 H new ATOM 833 N THR A 53 -3.193 -0.422 9.150 1.00 0.00 N ATOM 834 CA THR A 53 -2.001 0.008 9.864 1.00 0.00 C ATOM 835 C THR A 53 -1.245 1.085 9.065 1.00 0.00 C ATOM 836 O THR A 53 -0.821 2.096 9.619 1.00 0.00 O ATOM 837 CB THR A 53 -1.072 -1.204 10.102 1.00 0.00 C ATOM 838 OG1 THR A 53 -1.812 -2.248 10.762 1.00 0.00 O ATOM 839 CG2 THR A 53 0.142 -0.827 10.946 1.00 0.00 C ATOM 0 H THR A 53 -3.202 -1.417 8.926 1.00 0.00 H new ATOM 0 HA THR A 53 -2.306 0.433 10.820 1.00 0.00 H new ATOM 0 HB THR A 53 -0.711 -1.550 9.133 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.226 -3.019 10.913 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.771 -1.705 11.091 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.714 -0.052 10.435 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.190 -0.454 11.915 1.00 0.00 H new ATOM 847 N LEU A 54 -1.145 0.880 7.759 1.00 0.00 N ATOM 848 CA LEU A 54 -0.406 1.779 6.878 1.00 0.00 C ATOM 849 C LEU A 54 -1.047 3.147 6.845 1.00 0.00 C ATOM 850 O LEU A 54 -0.366 4.162 6.965 1.00 0.00 O ATOM 851 CB LEU A 54 -0.288 1.214 5.438 1.00 0.00 C ATOM 852 CG LEU A 54 0.610 -0.027 5.218 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.091 -1.255 5.937 1.00 0.00 C ATOM 854 CD2 LEU A 54 0.770 -0.316 3.740 1.00 0.00 C ATOM 0 H LEU A 54 -1.572 0.088 7.279 1.00 0.00 H new ATOM 0 HA LEU A 54 0.601 1.867 7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.292 0.966 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.082 2.013 4.795 1.00 0.00 H new ATOM 0 HG LEU A 54 1.584 0.211 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.758 -2.096 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.048 -1.058 7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.908 -1.495 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.405 -1.192 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.208 -0.506 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.229 0.542 3.249 1.00 0.00 H new ATOM 866 N ALA A 55 -2.368 3.162 6.746 1.00 0.00 N ATOM 867 CA ALA A 55 -3.132 4.401 6.679 1.00 0.00 C ATOM 868 C ALA A 55 -2.912 5.257 7.924 1.00 0.00 C ATOM 869 O ALA A 55 -2.756 6.482 7.831 1.00 0.00 O ATOM 870 CB ALA A 55 -4.608 4.094 6.496 1.00 0.00 C ATOM 0 H ALA A 55 -2.940 2.318 6.710 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.780 4.971 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.170 5.027 6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.751 3.535 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.963 3.500 7.338 1.00 0.00 H new ATOM 876 N VAL A 56 -2.822 4.595 9.067 1.00 0.00 N ATOM 877 CA VAL A 56 -2.651 5.261 10.353 1.00 0.00 C ATOM 878 C VAL A 56 -1.292 5.972 10.421 1.00 0.00 C ATOM 879 O VAL A 56 -1.187 7.085 10.946 1.00 0.00 O ATOM 880 CB VAL A 56 -2.799 4.251 11.538 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.571 4.924 12.885 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.179 3.609 11.513 1.00 0.00 C ATOM 0 H VAL A 56 -2.865 3.578 9.131 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.439 6.009 10.446 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.036 3.483 11.411 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.683 4.189 13.682 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.566 5.344 12.916 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.301 5.721 13.022 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.269 2.908 12.343 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.942 4.382 11.606 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.316 3.076 10.572 1.00 0.00 H new ATOM 892 N ILE A 57 -0.284 5.366 9.810 1.00 0.00 N ATOM 893 CA ILE A 57 1.081 5.914 9.817 1.00 0.00 C ATOM 894 C ILE A 57 1.129 7.249 9.061 1.00 0.00 C ATOM 895 O ILE A 57 1.921 8.141 9.371 1.00 0.00 O ATOM 896 CB ILE A 57 2.095 4.929 9.152 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.949 3.532 9.754 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.535 5.429 9.331 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.866 2.488 9.141 1.00 0.00 C ATOM 0 H ILE A 57 -0.379 4.489 9.298 1.00 0.00 H new ATOM 0 HA ILE A 57 1.361 6.065 10.860 1.00 0.00 H new ATOM 0 HB ILE A 57 1.874 4.881 8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.146 3.588 10.825 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.916 3.205 9.637 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.225 4.728 8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.640 6.409 8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.764 5.505 10.394 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.698 1.526 9.626 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.655 2.399 8.075 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.904 2.788 9.281 1.00 0.00 H new ATOM 911 N TYR A 58 0.264 7.395 8.083 1.00 0.00 N ATOM 912 CA TYR A 58 0.285 8.589 7.254 1.00 0.00 C ATOM 913 C TYR A 58 -0.833 9.528 7.674 1.00 0.00 C ATOM 914 O TYR A 58 -1.065 10.567 7.043 1.00 0.00 O ATOM 915 CB TYR A 58 0.176 8.207 5.761 1.00 0.00 C ATOM 916 CG TYR A 58 1.077 7.038 5.388 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.392 6.970 5.843 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.590 5.970 4.650 1.00 0.00 C ATOM 919 CE1 TYR A 58 3.184 5.882 5.565 1.00 0.00 C ATOM 920 CE2 TYR A 58 1.384 4.872 4.378 1.00 0.00 C ATOM 921 CZ TYR A 58 2.681 4.840 4.844 1.00 0.00 C ATOM 922 OH TYR A 58 3.471 3.750 4.602 1.00 0.00 O ATOM 0 H TYR A 58 -0.456 6.714 7.840 1.00 0.00 H new ATOM 0 HA TYR A 58 1.233 9.109 7.392 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.858 7.952 5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.436 9.071 5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.796 7.786 6.424 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.425 5.997 4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.204 5.852 5.918 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.991 4.045 3.805 1.00 0.00 H new ATOM 0 HH TYR A 58 2.984 2.934 4.841 1.00 0.00 H new ATOM 932 N ASP A 59 -1.514 9.140 8.771 1.00 0.00 N ATOM 933 CA ASP A 59 -2.628 9.899 9.384 1.00 0.00 C ATOM 934 C ASP A 59 -3.783 10.052 8.381 1.00 0.00 C ATOM 935 O ASP A 59 -4.536 11.026 8.383 1.00 0.00 O ATOM 936 CB ASP A 59 -2.116 11.271 9.913 1.00 0.00 C ATOM 937 CG ASP A 59 -3.143 12.047 10.726 1.00 0.00 C ATOM 938 OD1 ASP A 59 -3.508 11.607 11.831 1.00 0.00 O ATOM 939 OD2 ASP A 59 -3.563 13.142 10.300 1.00 0.00 O ATOM 0 H ASP A 59 -1.303 8.274 9.267 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.017 9.347 10.240 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.232 11.104 10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.803 11.881 9.066 1.00 0.00 H new ATOM 944 N GLN A 60 -3.955 9.038 7.567 1.00 0.00 N ATOM 945 CA GLN A 60 -4.959 9.052 6.534 1.00 0.00 C ATOM 946 C GLN A 60 -6.038 8.027 6.810 1.00 0.00 C ATOM 947 O GLN A 60 -5.858 7.123 7.629 1.00 0.00 O ATOM 948 CB GLN A 60 -4.342 8.759 5.173 1.00 0.00 C ATOM 949 CG GLN A 60 -3.290 9.757 4.715 1.00 0.00 C ATOM 950 CD GLN A 60 -2.936 9.590 3.253 1.00 0.00 C ATOM 951 OE1 GLN A 60 -1.804 9.830 2.834 1.00 0.00 O ATOM 952 NE2 GLN A 60 -3.911 9.249 2.453 1.00 0.00 N ATOM 0 H GLN A 60 -3.403 8.181 7.603 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.400 10.049 6.528 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.892 7.767 5.201 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.138 8.727 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.655 10.770 4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.391 9.637 5.320 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.838 9.057 2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.745 9.175 1.449 1.00 0.00 H new ATOM 961 N SER A 61 -7.146 8.162 6.125 1.00 0.00 N ATOM 962 CA SER A 61 -8.212 7.208 6.223 1.00 0.00 C ATOM 963 C SER A 61 -7.908 6.062 5.250 1.00 0.00 C ATOM 964 O SER A 61 -7.368 6.312 4.150 1.00 0.00 O ATOM 965 CB SER A 61 -9.560 7.874 5.896 1.00 0.00 C ATOM 966 OG SER A 61 -10.630 6.950 5.985 1.00 0.00 O ATOM 0 H SER A 61 -7.330 8.936 5.486 1.00 0.00 H new ATOM 0 HA SER A 61 -8.285 6.819 7.238 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.734 8.702 6.583 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.525 8.296 4.892 1.00 0.00 H new ATOM 0 HG SER A 61 -10.948 6.730 5.085 1.00 0.00 H new ATOM 972 N PRO A 62 -8.209 4.796 5.637 1.00 0.00 N ATOM 973 CA PRO A 62 -7.947 3.617 4.805 1.00 0.00 C ATOM 974 C PRO A 62 -8.550 3.730 3.411 1.00 0.00 C ATOM 975 O PRO A 62 -7.933 3.313 2.439 1.00 0.00 O ATOM 976 CB PRO A 62 -8.607 2.470 5.578 1.00 0.00 C ATOM 977 CG PRO A 62 -8.599 2.927 6.991 1.00 0.00 C ATOM 978 CD PRO A 62 -8.812 4.412 6.934 1.00 0.00 C ATOM 0 HA PRO A 62 -6.879 3.479 4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.622 2.285 5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.053 1.539 5.458 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.387 2.439 7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.654 2.685 7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.871 4.668 6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.328 4.920 7.768 1.00 0.00 H new ATOM 986 N SER A 63 -9.719 4.337 3.318 1.00 0.00 N ATOM 987 CA SER A 63 -10.420 4.502 2.062 1.00 0.00 C ATOM 988 C SER A 63 -9.603 5.380 1.096 1.00 0.00 C ATOM 989 O SER A 63 -9.302 4.981 -0.036 1.00 0.00 O ATOM 990 CB SER A 63 -11.765 5.130 2.374 1.00 0.00 C ATOM 991 OG SER A 63 -11.577 6.228 3.250 1.00 0.00 O ATOM 0 H SER A 63 -10.211 4.732 4.120 1.00 0.00 H new ATOM 0 HA SER A 63 -10.561 3.540 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.246 5.462 1.454 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.426 4.394 2.832 1.00 0.00 H new ATOM 0 HG SER A 63 -12.444 6.637 3.452 1.00 0.00 H new ATOM 997 N VAL A 64 -9.206 6.540 1.588 1.00 0.00 N ATOM 998 CA VAL A 64 -8.412 7.498 0.832 1.00 0.00 C ATOM 999 C VAL A 64 -7.064 6.886 0.454 1.00 0.00 C ATOM 1000 O VAL A 64 -6.604 7.016 -0.686 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.183 8.794 1.652 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.359 9.807 0.864 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -9.512 9.403 2.082 1.00 0.00 C ATOM 0 H VAL A 64 -9.427 6.849 2.535 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.961 7.750 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.621 8.527 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.215 10.705 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.389 9.375 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.884 10.066 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.327 10.311 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.104 9.646 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.057 8.689 2.699 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.466 6.196 1.417 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.187 5.527 1.234 1.00 0.00 C ATOM 1015 C LEU A 65 -5.309 4.506 0.086 1.00 0.00 C ATOM 1016 O LEU A 65 -4.497 4.502 -0.845 1.00 0.00 O ATOM 1017 CB LEU A 65 -4.775 4.868 2.586 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.337 4.298 2.751 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.118 3.017 1.964 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.296 5.344 2.379 1.00 0.00 C ATOM 0 H LEU A 65 -6.858 6.085 2.352 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.404 6.232 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.925 5.610 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.474 4.054 2.779 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.220 4.043 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.098 2.666 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.819 2.256 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.280 3.209 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.298 4.924 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.438 5.645 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.406 6.213 3.027 1.00 0.00 H new ATOM 1032 N THR A 66 -6.360 3.707 0.134 1.00 0.00 N ATOM 1033 CA THR A 66 -6.643 2.706 -0.876 1.00 0.00 C ATOM 1034 C THR A 66 -6.770 3.343 -2.275 1.00 0.00 C ATOM 1035 O THR A 66 -6.097 2.915 -3.229 1.00 0.00 O ATOM 1036 CB THR A 66 -7.948 1.947 -0.518 1.00 0.00 C ATOM 1037 OG1 THR A 66 -7.794 1.295 0.748 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.305 0.918 -1.567 1.00 0.00 C ATOM 0 H THR A 66 -7.049 3.736 0.886 1.00 0.00 H new ATOM 0 HA THR A 66 -5.810 2.003 -0.899 1.00 0.00 H new ATOM 0 HB THR A 66 -8.755 2.679 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.152 1.869 1.457 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.225 0.409 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.450 1.413 -2.527 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.498 0.190 -1.652 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.570 4.403 -2.371 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.834 5.063 -3.642 1.00 0.00 C ATOM 1048 C GLU A 67 -6.567 5.627 -4.271 1.00 0.00 C ATOM 1049 O GLU A 67 -6.414 5.609 -5.507 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.913 6.134 -3.500 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.274 5.575 -3.127 1.00 0.00 C ATOM 1052 CD GLU A 67 -11.343 6.632 -3.061 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.522 7.257 -1.994 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -12.049 6.852 -4.072 1.00 0.00 O ATOM 0 H GLU A 67 -8.049 4.824 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.212 4.301 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.603 6.852 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.998 6.680 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.563 4.818 -3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.204 5.076 -2.161 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.651 6.099 -3.436 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.371 6.588 -3.898 1.00 0.00 C ATOM 1063 C GLN A 68 -3.569 5.464 -4.531 1.00 0.00 C ATOM 1064 O GLN A 68 -3.167 5.556 -5.688 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.577 7.174 -2.754 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.108 8.476 -2.206 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.230 9.035 -1.103 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -3.708 9.707 -0.206 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -1.948 8.778 -1.164 1.00 0.00 N ATOM 0 H GLN A 68 -5.779 6.151 -2.425 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.560 7.364 -4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.543 6.444 -1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.551 7.330 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.182 9.205 -3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.117 8.322 -1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.577 8.212 -1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.320 9.144 -0.448 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.387 4.390 -3.777 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.617 3.231 -4.219 1.00 0.00 C ATOM 1080 C LEU A 69 -3.156 2.638 -5.522 1.00 0.00 C ATOM 1081 O LEU A 69 -2.377 2.218 -6.391 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.547 2.164 -3.116 1.00 0.00 C ATOM 1083 CG LEU A 69 -1.447 2.303 -2.035 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.079 2.085 -2.642 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -1.492 3.653 -1.339 1.00 0.00 C ATOM 0 H LEU A 69 -3.770 4.295 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.605 3.581 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.512 2.145 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.420 1.194 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.640 1.537 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.683 2.186 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.027 1.085 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.095 2.826 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.702 3.703 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.347 4.446 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.460 3.780 -0.854 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.471 2.616 -5.665 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.095 2.129 -6.892 1.00 0.00 C ATOM 1099 C ILE A 70 -4.769 3.077 -8.065 1.00 0.00 C ATOM 1100 O ILE A 70 -4.408 2.636 -9.150 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.640 2.002 -6.751 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.012 1.064 -5.597 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.243 1.482 -8.051 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.506 0.982 -5.337 1.00 0.00 C ATOM 0 H ILE A 70 -5.129 2.928 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.689 1.136 -7.088 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.042 2.992 -6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.634 0.065 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.512 1.402 -4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.324 1.397 -7.942 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.013 2.174 -8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.823 0.503 -8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.694 0.300 -4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.887 1.972 -5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.011 0.614 -6.230 1.00 0.00 H new ATOM 1116 N SER A 71 -4.832 4.379 -7.806 1.00 0.00 N ATOM 1117 CA SER A 71 -4.605 5.395 -8.834 1.00 0.00 C ATOM 1118 C SER A 71 -3.169 5.384 -9.381 1.00 0.00 C ATOM 1119 O SER A 71 -2.935 5.740 -10.541 1.00 0.00 O ATOM 1120 CB SER A 71 -4.965 6.785 -8.303 1.00 0.00 C ATOM 1121 OG SER A 71 -6.348 6.855 -7.951 1.00 0.00 O ATOM 0 H SER A 71 -5.041 4.761 -6.883 1.00 0.00 H new ATOM 0 HA SER A 71 -5.260 5.147 -9.669 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.352 7.016 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.740 7.537 -9.059 1.00 0.00 H new ATOM 0 HG SER A 71 -6.499 6.360 -7.119 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.218 4.964 -8.567 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.825 4.924 -9.008 1.00 0.00 C ATOM 1129 C TRP A 72 -0.531 3.598 -9.715 1.00 0.00 C ATOM 1130 O TRP A 72 0.575 3.373 -10.220 1.00 0.00 O ATOM 1131 CB TRP A 72 0.131 5.071 -7.833 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.141 6.213 -6.901 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.670 7.446 -7.188 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.156 6.217 -5.514 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.750 8.195 -6.034 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.233 7.459 -4.995 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.710 5.270 -4.660 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 -0.079 7.778 -3.651 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.867 5.585 -3.328 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.475 6.829 -2.834 1.00 0.00 C ATOM 0 H TRP A 72 -2.375 4.649 -7.610 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.676 5.757 -9.695 1.00 0.00 H new ATOM 0 HB2 TRP A 72 0.112 4.146 -7.257 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.142 5.181 -8.225 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.977 7.779 -8.169 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.130 9.139 -5.963 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.012 4.303 -5.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.385 8.739 -3.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.300 4.858 -2.657 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.611 7.048 -1.785 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.515 2.711 -9.699 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.383 1.418 -10.339 1.00 0.00 C ATOM 1153 C GLY A 73 -0.613 0.455 -9.471 1.00 0.00 C ATOM 1154 O GLY A 73 -0.056 -0.542 -9.952 1.00 0.00 O ATOM 0 H GLY A 73 -2.416 2.868 -9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.372 1.011 -10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.876 1.534 -11.297 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.574 0.748 -8.199 1.00 0.00 N ATOM 1159 CA VAL A 74 0.164 -0.052 -7.254 1.00 0.00 C ATOM 1160 C VAL A 74 -0.734 -1.122 -6.655 1.00 0.00 C ATOM 1161 O VAL A 74 -0.360 -2.287 -6.568 1.00 0.00 O ATOM 1162 CB VAL A 74 0.761 0.831 -6.124 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.505 -0.011 -5.116 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.692 1.875 -6.698 1.00 0.00 C ATOM 0 H VAL A 74 -1.053 1.549 -7.786 1.00 0.00 H new ATOM 0 HA VAL A 74 0.985 -0.531 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.068 1.330 -5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.913 0.631 -4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.822 -0.734 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.318 -0.540 -5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.099 2.483 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.507 1.383 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.141 2.513 -7.390 1.00 0.00 H new ATOM 1174 N LEU A 75 -1.911 -0.731 -6.272 1.00 0.00 N ATOM 1175 CA LEU A 75 -2.838 -1.637 -5.647 1.00 0.00 C ATOM 1176 C LEU A 75 -3.917 -2.030 -6.631 1.00 0.00 C ATOM 1177 O LEU A 75 -4.310 -1.221 -7.477 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.444 -0.969 -4.408 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.459 -1.772 -3.595 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -3.822 -3.018 -3.014 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.040 -0.911 -2.489 1.00 0.00 C ATOM 0 H LEU A 75 -2.260 0.221 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.316 -2.542 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.626 -0.690 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.925 -0.044 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.264 -2.082 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.564 -3.572 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.446 -3.645 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.997 -2.734 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.762 -1.493 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.239 -0.576 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.537 -0.045 -2.925 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.349 -3.278 -6.543 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.434 -3.803 -7.370 1.00 0.00 C ATOM 1195 C ASP A 76 -6.709 -3.021 -7.061 1.00 0.00 C ATOM 1196 O ASP A 76 -6.994 -2.719 -5.888 1.00 0.00 O ATOM 1197 CB ASP A 76 -5.665 -5.297 -7.065 1.00 0.00 C ATOM 1198 CG ASP A 76 -6.623 -5.981 -8.035 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -7.800 -5.603 -8.119 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -6.206 -6.941 -8.714 1.00 0.00 O ATOM 0 H ASP A 76 -3.958 -3.961 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.170 -3.697 -8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.707 -5.816 -7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.056 -5.396 -6.052 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.476 -2.721 -8.086 1.00 0.00 N ATOM 1206 CA ALA A 77 -8.685 -1.923 -7.950 1.00 0.00 C ATOM 1207 C ALA A 77 -9.782 -2.636 -7.151 1.00 0.00 C ATOM 1208 O ALA A 77 -10.667 -1.989 -6.616 1.00 0.00 O ATOM 1209 CB ALA A 77 -9.202 -1.507 -9.312 1.00 0.00 C ATOM 0 H ALA A 77 -7.283 -3.022 -9.041 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.413 -1.033 -7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.107 -0.911 -9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.443 -0.915 -9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.429 -2.395 -9.902 1.00 0.00 H new ATOM 1215 N ASP A 78 -9.682 -3.963 -7.039 1.00 0.00 N ATOM 1216 CA ASP A 78 -10.679 -4.819 -6.331 1.00 0.00 C ATOM 1217 C ASP A 78 -10.821 -4.422 -4.866 1.00 0.00 C ATOM 1218 O ASP A 78 -11.827 -4.712 -4.217 1.00 0.00 O ATOM 1219 CB ASP A 78 -10.319 -6.310 -6.430 1.00 0.00 C ATOM 1220 CG ASP A 78 -11.446 -7.217 -5.983 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -12.474 -7.285 -6.716 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -11.314 -7.909 -4.951 1.00 0.00 O ATOM 0 H ASP A 78 -8.906 -4.493 -7.435 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.635 -4.658 -6.830 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.055 -6.548 -7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.437 -6.507 -5.821 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.808 -3.724 -4.363 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.755 -3.208 -2.993 1.00 0.00 C ATOM 1229 C ALA A 79 -11.029 -2.445 -2.615 1.00 0.00 C ATOM 1230 O ALA A 79 -11.426 -2.411 -1.454 1.00 0.00 O ATOM 1231 CB ALA A 79 -8.563 -2.295 -2.857 1.00 0.00 C ATOM 0 H ALA A 79 -8.978 -3.494 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.668 -4.058 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.516 -1.907 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.652 -2.852 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.658 -1.466 -3.558 1.00 0.00 H new ATOM 1237 N ARG A 80 -11.672 -1.876 -3.616 1.00 0.00 N ATOM 1238 CA ARG A 80 -12.910 -1.135 -3.459 1.00 0.00 C ATOM 1239 C ARG A 80 -14.026 -1.979 -2.797 1.00 0.00 C ATOM 1240 O ARG A 80 -14.837 -1.444 -2.031 1.00 0.00 O ATOM 1241 CB ARG A 80 -13.349 -0.567 -4.813 1.00 0.00 C ATOM 1242 CG ARG A 80 -13.554 -1.613 -5.898 1.00 0.00 C ATOM 1243 CD ARG A 80 -13.683 -0.970 -7.265 1.00 0.00 C ATOM 1244 NE ARG A 80 -14.882 -0.110 -7.359 1.00 0.00 N ATOM 1245 CZ ARG A 80 -14.944 1.097 -7.936 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -13.841 1.710 -8.341 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -16.122 1.696 -8.079 1.00 0.00 N ATOM 0 H ARG A 80 -11.343 -1.916 -4.581 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.723 -0.306 -2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.279 -0.015 -4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.600 0.149 -5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.715 -2.309 -5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.450 -2.194 -5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.793 -0.376 -7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.733 -1.747 -8.028 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.742 -0.470 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.933 1.263 -8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.900 2.629 -8.779 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.971 1.236 -7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.177 2.615 -8.517 1.00 0.00 H new ATOM 1261 N ARG A 81 -14.048 -3.298 -3.041 1.00 0.00 N ATOM 1262 CA ARG A 81 -15.066 -4.131 -2.406 1.00 0.00 C ATOM 1263 C ARG A 81 -14.643 -4.517 -0.997 1.00 0.00 C ATOM 1264 O ARG A 81 -15.465 -4.897 -0.186 1.00 0.00 O ATOM 1265 CB ARG A 81 -15.451 -5.386 -3.224 1.00 0.00 C ATOM 1266 CG ARG A 81 -14.339 -6.406 -3.428 1.00 0.00 C ATOM 1267 CD ARG A 81 -14.855 -7.661 -4.128 1.00 0.00 C ATOM 1268 NE ARG A 81 -15.512 -7.368 -5.417 1.00 0.00 N ATOM 1269 CZ ARG A 81 -16.043 -8.288 -6.240 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -15.933 -9.578 -5.962 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -16.682 -7.913 -7.342 1.00 0.00 N ATOM 0 H ARG A 81 -13.396 -3.792 -3.651 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.966 -3.518 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -16.286 -5.880 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.808 -5.064 -4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.539 -5.961 -4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.910 -6.676 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.023 -8.345 -4.297 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.561 -8.172 -3.474 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.567 -6.391 -5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.443 -9.878 -5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.338 -10.272 -6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.772 -6.922 -7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.083 -8.616 -7.963 1.00 0.00 H new ATOM 1285 N ALA A 82 -13.363 -4.370 -0.697 1.00 0.00 N ATOM 1286 CA ALA A 82 -12.847 -4.689 0.635 1.00 0.00 C ATOM 1287 C ALA A 82 -13.213 -3.572 1.597 1.00 0.00 C ATOM 1288 O ALA A 82 -13.454 -3.794 2.769 1.00 0.00 O ATOM 1289 CB ALA A 82 -11.339 -4.896 0.597 1.00 0.00 C ATOM 0 H ALA A 82 -12.659 -4.033 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.299 -5.620 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.979 -5.132 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.102 -5.719 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.856 -3.986 0.243 1.00 0.00 H new ATOM 1295 N VAL A 83 -13.313 -2.365 1.062 1.00 0.00 N ATOM 1296 CA VAL A 83 -13.708 -1.198 1.850 1.00 0.00 C ATOM 1297 C VAL A 83 -15.261 -1.184 1.994 1.00 0.00 C ATOM 1298 O VAL A 83 -15.865 -0.288 2.586 1.00 0.00 O ATOM 1299 CB VAL A 83 -13.182 0.131 1.194 1.00 0.00 C ATOM 1300 CG1 VAL A 83 -13.388 1.336 2.109 1.00 0.00 C ATOM 1301 CG2 VAL A 83 -11.708 0.003 0.827 1.00 0.00 C ATOM 0 H VAL A 83 -13.126 -2.163 0.080 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.259 -1.262 2.841 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.764 0.295 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.011 2.234 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.451 1.456 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.849 1.180 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.364 0.933 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.126 -0.201 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.579 -0.815 0.118 1.00 0.00 H new ATOM 1311 N ALA A 84 -15.882 -2.198 1.446 1.00 0.00 N ATOM 1312 CA ALA A 84 -17.300 -2.389 1.558 1.00 0.00 C ATOM 1313 C ALA A 84 -17.559 -3.605 2.437 1.00 0.00 C ATOM 1314 O ALA A 84 -18.207 -3.513 3.479 1.00 0.00 O ATOM 1315 CB ALA A 84 -17.921 -2.570 0.183 1.00 0.00 C ATOM 0 H ALA A 84 -15.409 -2.921 0.904 1.00 0.00 H new ATOM 0 HA ALA A 84 -17.758 -1.510 2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -18.997 -2.714 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -17.729 -1.684 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -17.483 -3.442 -0.302 1.00 0.00 H new ATOM 1321 N SER A 85 -17.031 -4.733 2.029 1.00 0.00 N ATOM 1322 CA SER A 85 -17.156 -5.945 2.775 1.00 0.00 C ATOM 1323 C SER A 85 -15.953 -6.105 3.697 1.00 0.00 C ATOM 1324 O SER A 85 -14.869 -6.536 3.277 1.00 0.00 O ATOM 1325 CB SER A 85 -17.277 -7.128 1.819 1.00 0.00 C ATOM 1326 OG SER A 85 -18.348 -6.910 0.910 1.00 0.00 O ATOM 0 H SER A 85 -16.500 -4.829 1.163 1.00 0.00 H new ATOM 0 HA SER A 85 -18.056 -5.909 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.344 -7.260 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 85 -17.448 -8.045 2.382 1.00 0.00 H new ATOM 0 HG SER A 85 -18.418 -7.673 0.299 1.00 0.00 H new ATOM 1332 N HIS A 86 -16.132 -5.689 4.921 1.00 0.00 N ATOM 1333 CA HIS A 86 -15.090 -5.779 5.918 1.00 0.00 C ATOM 1334 C HIS A 86 -15.238 -7.076 6.679 1.00 0.00 C ATOM 1335 O HIS A 86 -14.255 -7.765 6.973 1.00 0.00 O ATOM 1336 CB HIS A 86 -15.184 -4.629 6.936 1.00 0.00 C ATOM 1337 CG HIS A 86 -15.212 -3.241 6.370 1.00 0.00 C ATOM 1338 ND1 HIS A 86 -14.124 -2.610 5.838 1.00 0.00 N ATOM 1339 CD2 HIS A 86 -16.226 -2.351 6.308 1.00 0.00 C ATOM 1340 CE1 HIS A 86 -14.484 -1.379 5.484 1.00 0.00 C ATOM 1341 NE2 HIS A 86 -15.762 -1.166 5.751 1.00 0.00 N ATOM 0 H HIS A 86 -17.002 -5.278 5.259 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.132 -5.726 5.401 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.085 -4.773 7.533 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.336 -4.704 7.616 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -13.194 -3.014 5.730 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -17.238 -2.532 6.639 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -13.822 -0.651 5.039 1.00 0.00 H new ATOM 1349 N ASP A 87 -16.478 -7.408 6.993 1.00 0.00 N ATOM 1350 CA ASP A 87 -16.778 -8.567 7.818 1.00 0.00 C ATOM 1351 C ASP A 87 -16.814 -9.840 7.021 1.00 0.00 C ATOM 1352 O ASP A 87 -17.261 -9.868 5.858 1.00 0.00 O ATOM 1353 CB ASP A 87 -18.094 -8.405 8.604 1.00 0.00 C ATOM 1354 CG ASP A 87 -19.337 -8.395 7.742 1.00 0.00 C ATOM 1355 OD1 ASP A 87 -19.656 -7.344 7.148 1.00 0.00 O ATOM 1356 OD2 ASP A 87 -20.041 -9.422 7.676 1.00 0.00 O ATOM 0 H ASP A 87 -17.300 -6.887 6.687 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.960 -8.634 8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -18.174 -9.217 9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.052 -7.475 9.172 1.00 0.00 H new ATOM 1361 N GLU A 88 -16.324 -10.874 7.651 1.00 0.00 N ATOM 1362 CA GLU A 88 -16.283 -12.203 7.127 1.00 0.00 C ATOM 1363 C GLU A 88 -15.882 -13.106 8.287 1.00 0.00 C ATOM 1364 O GLU A 88 -15.441 -12.604 9.329 1.00 0.00 O ATOM 1365 CB GLU A 88 -15.248 -12.305 5.988 1.00 0.00 C ATOM 1366 CG GLU A 88 -15.207 -13.661 5.312 1.00 0.00 C ATOM 1367 CD GLU A 88 -14.160 -13.748 4.265 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -12.981 -13.951 4.615 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -14.505 -13.652 3.068 1.00 0.00 O ATOM 0 H GLU A 88 -15.925 -10.804 8.587 1.00 0.00 H new ATOM 0 HA GLU A 88 -17.248 -12.492 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.470 -11.544 5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.259 -12.080 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.029 -14.431 6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.179 -13.869 4.866 1.00 0.00 H new ATOM 1376 N LEU A 89 -16.059 -14.386 8.129 1.00 0.00 N ATOM 1377 CA LEU A 89 -15.671 -15.348 9.122 1.00 0.00 C ATOM 1378 C LEU A 89 -14.213 -15.693 8.888 1.00 0.00 C ATOM 1379 O LEU A 89 -13.350 -15.299 9.699 1.00 0.00 O ATOM 1380 CB LEU A 89 -16.546 -16.630 9.065 1.00 0.00 C ATOM 1381 CG LEU A 89 -18.072 -16.479 9.311 1.00 0.00 C ATOM 1382 CD1 LEU A 89 -18.364 -15.672 10.568 1.00 0.00 C ATOM 1383 CD2 LEU A 89 -18.805 -15.909 8.096 1.00 0.00 C ATOM 1384 OXT LEU A 89 -13.902 -16.259 7.835 1.00 0.00 O ATOM 0 H LEU A 89 -16.482 -14.797 7.297 1.00 0.00 H new ATOM 0 HA LEU A 89 -15.815 -14.918 10.113 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.409 -17.085 8.084 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -16.157 -17.334 9.801 1.00 0.00 H new ATOM 0 HG LEU A 89 -18.461 -17.485 9.470 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -19.442 -15.589 10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -17.926 -16.172 11.432 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -17.933 -14.676 10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -19.868 -15.823 8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -18.404 -14.924 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -18.666 -16.573 7.243 1.00 0.00 H new TER 1396 LEU A 89