USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 35 GLN : amide:sc= -0.807 K(o=-0.81,f=-0.19) USER MOD Set 1.2: A 49 GLN : amide:sc=-0.00377 X(o=-0.81,f=-1.1) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 72:sc= 0.0491 USER MOD Single : A 14 HIS : no HE2:sc= -2.94! C(o=-2.9!,f=-5.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.013) USER MOD Single : A 22 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-1.8) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0035 X(o=-0.0035,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.264 K(o=-0.26,f=-3.5!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.36 K(o=-1.4,f=-7.2!) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= -0.0353 (180deg=-0.247) USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00609) USER MOD Single : A 59 LYS NZ :NH3+ 147:sc= -0.0229 (180deg=-0.846) USER MOD Single : A 60 SER OG : rot 41:sc= 0.147 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -171:sc= -0.334 (180deg=-0.703) USER MOD Single : A 66 THR OG1 : rot 166:sc= 0.464 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.3!) USER MOD Single : A 77 CYS SG : rot 142:sc= -4.69! USER MOD Single : A 80 MET CE :methyl -140:sc= 0 (180deg=-1.3) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.044 10.833 11.310 1.00 0.00 N ATOM 60 CA GLY A 7 4.953 9.897 11.109 1.00 0.00 C ATOM 61 C GLY A 7 3.595 10.566 11.179 1.00 0.00 C ATOM 62 O GLY A 7 3.485 11.724 11.586 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.067 9.414 10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.008 9.113 11.864 1.00 0.00 H new ATOM 66 N LEU A 8 2.558 9.839 10.780 1.00 0.00 N ATOM 67 CA LEU A 8 1.199 10.369 10.797 1.00 0.00 C ATOM 68 C LEU A 8 0.241 9.391 11.469 1.00 0.00 C ATOM 69 O LEU A 8 0.457 8.179 11.448 1.00 0.00 O ATOM 70 CB LEU A 8 0.728 10.665 9.372 1.00 0.00 C ATOM 71 CG LEU A 8 0.789 9.495 8.389 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.289 9.635 7.325 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.166 9.410 7.747 1.00 0.00 C ATOM 0 H LEU A 8 2.632 8.880 10.440 1.00 0.00 H new ATOM 0 HA LEU A 8 1.204 11.296 11.371 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.301 11.022 9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.331 11.481 8.973 1.00 0.00 H new ATOM 0 HG LEU A 8 0.609 8.572 8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.230 8.794 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.270 9.647 7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.140 10.565 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.192 8.572 7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.375 10.335 7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.920 9.262 8.521 1.00 0.00 H new ATOM 85 N THR A 9 -0.821 9.925 12.064 1.00 0.00 N ATOM 86 CA THR A 9 -1.813 9.100 12.741 1.00 0.00 C ATOM 87 C THR A 9 -3.033 8.869 11.856 1.00 0.00 C ATOM 88 O THR A 9 -3.938 9.701 11.799 1.00 0.00 O ATOM 89 CB THR A 9 -2.269 9.743 14.065 1.00 0.00 C ATOM 90 OG1 THR A 9 -1.137 9.982 14.909 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.265 8.847 14.787 1.00 0.00 C ATOM 0 H THR A 9 -1.016 10.926 12.091 1.00 0.00 H new ATOM 0 HA THR A 9 -1.336 8.144 12.955 1.00 0.00 H new ATOM 0 HB THR A 9 -2.757 10.690 13.834 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.435 10.392 15.748 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.573 9.322 15.719 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.138 8.690 14.154 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.798 7.887 15.006 1.00 0.00 H new ATOM 99 N VAL A 10 -3.050 7.732 11.167 1.00 0.00 N ATOM 100 CA VAL A 10 -4.160 7.390 10.285 1.00 0.00 C ATOM 101 C VAL A 10 -4.804 6.071 10.699 1.00 0.00 C ATOM 102 O VAL A 10 -4.117 5.074 10.923 1.00 0.00 O ATOM 103 CB VAL A 10 -3.701 7.286 8.819 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.435 6.450 8.714 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.808 6.704 7.954 1.00 0.00 C ATOM 0 H VAL A 10 -2.308 7.033 11.203 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.892 8.193 10.372 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.477 8.289 8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.126 6.388 7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.642 6.915 9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.628 5.447 9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.466 6.638 6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.067 5.709 8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.686 7.348 8.005 1.00 0.00 H new ATOM 115 N THR A 11 -6.130 6.072 10.799 1.00 0.00 N ATOM 116 CA THR A 11 -6.868 4.876 11.186 1.00 0.00 C ATOM 117 C THR A 11 -7.169 4.000 9.976 1.00 0.00 C ATOM 118 O THR A 11 -7.363 4.499 8.868 1.00 0.00 O ATOM 119 CB THR A 11 -8.191 5.236 11.887 1.00 0.00 C ATOM 120 OG1 THR A 11 -7.958 6.223 12.898 1.00 0.00 O ATOM 121 CG2 THR A 11 -8.825 4.002 12.513 1.00 0.00 C ATOM 0 H THR A 11 -6.715 6.888 10.617 1.00 0.00 H new ATOM 0 HA THR A 11 -6.235 4.325 11.881 1.00 0.00 H new ATOM 0 HB THR A 11 -8.875 5.637 11.139 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.805 6.447 13.337 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.758 4.281 13.002 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.029 3.264 11.737 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.143 3.576 13.249 1.00 0.00 H new ATOM 129 N VAL A 12 -7.206 2.689 10.195 1.00 0.00 N ATOM 130 CA VAL A 12 -7.485 1.742 9.122 1.00 0.00 C ATOM 131 C VAL A 12 -8.741 0.930 9.419 1.00 0.00 C ATOM 132 O VAL A 12 -8.824 0.244 10.438 1.00 0.00 O ATOM 133 CB VAL A 12 -6.304 0.779 8.902 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.718 -0.378 8.006 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.114 1.521 8.313 1.00 0.00 C ATOM 0 H VAL A 12 -7.046 2.259 11.106 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.640 2.327 8.216 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.006 0.371 9.868 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.870 -1.048 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.537 -0.925 8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.043 0.008 7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.289 0.825 8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.396 1.959 7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.803 2.311 8.996 1.00 0.00 H new ATOM 145 N THR A 13 -9.718 1.012 8.521 1.00 0.00 N ATOM 146 CA THR A 13 -10.970 0.285 8.686 1.00 0.00 C ATOM 147 C THR A 13 -10.863 -1.129 8.126 1.00 0.00 C ATOM 148 O THR A 13 -10.978 -1.339 6.918 1.00 0.00 O ATOM 149 CB THR A 13 -12.137 1.013 7.993 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.144 2.395 8.366 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.468 0.376 8.363 1.00 0.00 C ATOM 0 H THR A 13 -9.666 1.575 7.672 1.00 0.00 H new ATOM 0 HA THR A 13 -11.168 0.234 9.757 1.00 0.00 H new ATOM 0 HB THR A 13 -11.999 0.929 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.391 2.853 7.938 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.277 0.907 7.862 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.471 -0.668 8.051 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.611 0.432 9.442 1.00 0.00 H new ATOM 159 N HIS A 14 -10.643 -2.096 9.010 1.00 0.00 N ATOM 160 CA HIS A 14 -10.523 -3.491 8.603 1.00 0.00 C ATOM 161 C HIS A 14 -11.628 -4.337 9.229 1.00 0.00 C ATOM 162 O HIS A 14 -12.006 -4.128 10.381 1.00 0.00 O ATOM 163 CB HIS A 14 -9.154 -4.044 9.002 1.00 0.00 C ATOM 164 CG HIS A 14 -8.767 -5.282 8.252 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.469 -6.476 8.874 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.631 -5.507 6.924 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.165 -7.381 7.962 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.256 -6.819 6.770 1.00 0.00 N ATOM 0 H HIS A 14 -10.544 -1.939 10.013 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.624 -3.538 7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.398 -3.276 8.835 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.156 -4.262 10.070 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.481 -6.635 9.881 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.788 -4.789 6.133 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.889 -8.407 8.157 1.00 0.00 H new ATOM 177 N SER A 15 -12.141 -5.293 8.461 1.00 0.00 N ATOM 178 CA SER A 15 -13.206 -6.168 8.939 1.00 0.00 C ATOM 179 C SER A 15 -14.303 -5.362 9.628 1.00 0.00 C ATOM 180 O SER A 15 -14.799 -5.746 10.686 1.00 0.00 O ATOM 181 CB SER A 15 -12.642 -7.212 9.904 1.00 0.00 C ATOM 182 OG SER A 15 -12.167 -8.349 9.204 1.00 0.00 O ATOM 0 H SER A 15 -11.837 -5.481 7.506 1.00 0.00 H new ATOM 0 HA SER A 15 -13.639 -6.676 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.831 -6.774 10.485 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.415 -7.513 10.611 1.00 0.00 H new ATOM 0 HG SER A 15 -11.810 -9.001 9.843 1.00 0.00 H new ATOM 188 N ASN A 16 -14.676 -4.240 9.019 1.00 0.00 N ATOM 189 CA ASN A 16 -15.714 -3.379 9.574 1.00 0.00 C ATOM 190 C ASN A 16 -15.364 -2.953 10.996 1.00 0.00 C ATOM 191 O ASN A 16 -16.239 -2.848 11.855 1.00 0.00 O ATOM 192 CB ASN A 16 -17.064 -4.098 9.562 1.00 0.00 C ATOM 193 CG ASN A 16 -17.457 -4.567 8.174 1.00 0.00 C ATOM 194 OD1 ASN A 16 -17.282 -3.846 7.191 1.00 0.00 O ATOM 195 ND2 ASN A 16 -17.992 -5.779 8.088 1.00 0.00 N ATOM 0 H ASN A 16 -14.275 -3.907 8.142 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.781 -2.486 8.952 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.022 -4.955 10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -17.833 -3.428 9.947 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.277 -6.148 7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.118 -6.342 8.929 1.00 0.00 H new ATOM 202 N GLU A 17 -14.080 -2.707 11.237 1.00 0.00 N ATOM 203 CA GLU A 17 -13.616 -2.293 12.555 1.00 0.00 C ATOM 204 C GLU A 17 -12.762 -1.031 12.460 1.00 0.00 C ATOM 205 O GLU A 17 -12.468 -0.548 11.366 1.00 0.00 O ATOM 206 CB GLU A 17 -12.813 -3.416 13.214 1.00 0.00 C ATOM 207 CG GLU A 17 -13.622 -4.678 13.462 1.00 0.00 C ATOM 208 CD GLU A 17 -14.310 -4.674 14.814 1.00 0.00 C ATOM 209 OE1 GLU A 17 -13.604 -4.558 15.838 1.00 0.00 O ATOM 210 OE2 GLU A 17 -15.553 -4.786 14.848 1.00 0.00 O ATOM 0 H GLU A 17 -13.343 -2.787 10.536 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.491 -2.074 13.167 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.959 -3.660 12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.414 -3.058 14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.371 -4.785 12.678 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.965 -5.545 13.395 1.00 0.00 H new ATOM 217 N LYS A 18 -12.368 -0.502 13.613 1.00 0.00 N ATOM 218 CA LYS A 18 -11.549 0.702 13.662 1.00 0.00 C ATOM 219 C LYS A 18 -10.238 0.439 14.397 1.00 0.00 C ATOM 220 O LYS A 18 -10.237 0.068 15.572 1.00 0.00 O ATOM 221 CB LYS A 18 -12.312 1.836 14.350 1.00 0.00 C ATOM 222 CG LYS A 18 -11.937 3.218 13.843 1.00 0.00 C ATOM 223 CD LYS A 18 -12.187 4.285 14.895 1.00 0.00 C ATOM 224 CE LYS A 18 -13.638 4.740 14.893 1.00 0.00 C ATOM 225 NZ LYS A 18 -13.884 5.813 15.896 1.00 0.00 N ATOM 0 H LYS A 18 -12.603 -0.889 14.527 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.319 0.996 12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.381 1.683 14.205 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.126 1.789 15.423 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.886 3.228 13.556 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.514 3.447 12.947 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.928 3.895 15.879 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.536 5.140 14.710 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.903 5.103 13.900 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.286 3.889 15.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.884 6.096 15.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.655 5.459 16.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.285 6.635 15.679 1.00 0.00 H new ATOM 239 N HIS A 19 -9.124 0.634 13.699 1.00 0.00 N ATOM 240 CA HIS A 19 -7.806 0.420 14.287 1.00 0.00 C ATOM 241 C HIS A 19 -6.863 1.568 13.941 1.00 0.00 C ATOM 242 O HIS A 19 -6.469 1.734 12.787 1.00 0.00 O ATOM 243 CB HIS A 19 -7.217 -0.904 13.800 1.00 0.00 C ATOM 244 CG HIS A 19 -8.055 -2.096 14.145 1.00 0.00 C ATOM 245 ND1 HIS A 19 -8.275 -2.511 15.441 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.730 -2.963 13.354 1.00 0.00 C ATOM 247 CE1 HIS A 19 -9.048 -3.583 15.433 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.338 -3.877 14.179 1.00 0.00 N ATOM 0 H HIS A 19 -9.107 0.940 12.726 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.920 0.382 15.370 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.091 -0.860 12.718 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.224 -1.031 14.232 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.781 -2.940 12.275 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.385 -4.126 16.304 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.920 -4.657 13.873 1.00 0.00 H new ATOM 257 N ASP A 20 -6.507 2.358 14.948 1.00 0.00 N ATOM 258 CA ASP A 20 -5.610 3.491 14.750 1.00 0.00 C ATOM 259 C ASP A 20 -4.164 3.024 14.621 1.00 0.00 C ATOM 260 O ASP A 20 -3.676 2.245 15.441 1.00 0.00 O ATOM 261 CB ASP A 20 -5.738 4.479 15.911 1.00 0.00 C ATOM 262 CG ASP A 20 -5.191 3.919 17.210 1.00 0.00 C ATOM 263 OD1 ASP A 20 -5.729 2.899 17.689 1.00 0.00 O ATOM 264 OD2 ASP A 20 -4.226 4.502 17.748 1.00 0.00 O ATOM 0 H ASP A 20 -6.826 2.235 15.909 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.895 3.991 13.824 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.207 5.398 15.663 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.787 4.743 16.046 1.00 0.00 H new ATOM 269 N LEU A 21 -3.484 3.502 13.585 1.00 0.00 N ATOM 270 CA LEU A 21 -2.093 3.132 13.346 1.00 0.00 C ATOM 271 C LEU A 21 -1.236 4.369 13.096 1.00 0.00 C ATOM 272 O LEU A 21 -1.692 5.342 12.497 1.00 0.00 O ATOM 273 CB LEU A 21 -1.995 2.180 12.153 1.00 0.00 C ATOM 274 CG LEU A 21 -2.939 0.977 12.175 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.857 0.211 10.864 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.615 0.065 13.349 1.00 0.00 C ATOM 0 H LEU A 21 -3.873 4.147 12.897 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.719 2.627 14.237 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.185 2.749 11.243 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.971 1.812 12.091 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.959 1.342 12.296 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.535 -0.642 10.898 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.140 0.867 10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.837 -0.143 10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.297 -0.785 13.348 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.589 -0.292 13.260 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.726 0.619 14.281 1.00 0.00 H new ATOM 288 N HIS A 22 0.010 4.322 13.558 1.00 0.00 N ATOM 289 CA HIS A 22 0.933 5.438 13.382 1.00 0.00 C ATOM 290 C HIS A 22 1.951 5.134 12.288 1.00 0.00 C ATOM 291 O HIS A 22 2.853 4.318 12.474 1.00 0.00 O ATOM 292 CB HIS A 22 1.654 5.743 14.695 1.00 0.00 C ATOM 293 CG HIS A 22 2.672 6.836 14.580 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.704 7.001 15.479 1.00 0.00 N ATOM 295 CD2 HIS A 22 2.813 7.821 13.663 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.435 8.041 15.121 1.00 0.00 C ATOM 297 NE2 HIS A 22 3.916 8.556 14.021 1.00 0.00 N ATOM 0 H HIS A 22 0.403 3.524 14.057 1.00 0.00 H new ATOM 0 HA HIS A 22 0.354 6.312 13.082 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.917 6.022 15.448 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.145 4.837 15.049 1.00 0.00 H new ATOM 0 HD1 HIS A 22 3.876 6.412 16.294 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.176 7.996 12.808 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.308 8.408 15.639 1.00 0.00 H new ATOM 306 N VAL A 23 1.799 5.795 11.144 1.00 0.00 N ATOM 307 CA VAL A 23 2.705 5.595 10.020 1.00 0.00 C ATOM 308 C VAL A 23 4.011 6.355 10.225 1.00 0.00 C ATOM 309 O VAL A 23 4.009 7.527 10.602 1.00 0.00 O ATOM 310 CB VAL A 23 2.064 6.048 8.695 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.935 5.646 7.515 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.664 5.469 8.556 1.00 0.00 C ATOM 0 H VAL A 23 1.057 6.473 10.972 1.00 0.00 H new ATOM 0 HA VAL A 23 2.913 4.526 9.968 1.00 0.00 H new ATOM 0 HB VAL A 23 1.984 7.135 8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.466 5.975 6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.915 6.113 7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.049 4.562 7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.226 5.799 7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.717 4.380 8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.044 5.812 9.385 1.00 0.00 H new ATOM 322 N THR A 24 5.128 5.679 9.974 1.00 0.00 N ATOM 323 CA THR A 24 6.443 6.289 10.131 1.00 0.00 C ATOM 324 C THR A 24 7.381 5.870 9.006 1.00 0.00 C ATOM 325 O THR A 24 7.344 4.729 8.545 1.00 0.00 O ATOM 326 CB THR A 24 7.079 5.911 11.482 1.00 0.00 C ATOM 327 OG1 THR A 24 7.027 4.492 11.669 1.00 0.00 O ATOM 328 CG2 THR A 24 6.362 6.605 12.631 1.00 0.00 C ATOM 0 H THR A 24 5.148 4.708 9.661 1.00 0.00 H new ATOM 0 HA THR A 24 6.297 7.369 10.095 1.00 0.00 H new ATOM 0 HB THR A 24 8.119 6.238 11.472 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.435 4.260 12.529 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.829 6.323 13.575 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.429 7.685 12.502 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.314 6.305 12.640 1.00 0.00 H new ATOM 336 N SER A 25 8.223 6.800 8.567 1.00 0.00 N ATOM 337 CA SER A 25 9.171 6.528 7.492 1.00 0.00 C ATOM 338 C SER A 25 10.110 5.388 7.872 1.00 0.00 C ATOM 339 O SER A 25 10.040 4.855 8.979 1.00 0.00 O ATOM 340 CB SER A 25 9.981 7.785 7.167 1.00 0.00 C ATOM 341 OG SER A 25 10.672 8.256 8.311 1.00 0.00 O ATOM 0 H SER A 25 8.268 7.749 8.939 1.00 0.00 H new ATOM 0 HA SER A 25 8.606 6.231 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.694 7.567 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.316 8.564 6.794 1.00 0.00 H new ATOM 0 HG SER A 25 11.183 9.059 8.077 1.00 0.00 H new ATOM 347 N GLN A 26 10.988 5.019 6.945 1.00 0.00 N ATOM 348 CA GLN A 26 11.942 3.942 7.182 1.00 0.00 C ATOM 349 C GLN A 26 13.280 4.494 7.662 1.00 0.00 C ATOM 350 O GLN A 26 14.339 4.059 7.211 1.00 0.00 O ATOM 351 CB GLN A 26 12.143 3.121 5.906 1.00 0.00 C ATOM 352 CG GLN A 26 10.878 2.434 5.419 1.00 0.00 C ATOM 353 CD GLN A 26 10.687 1.060 6.029 1.00 0.00 C ATOM 354 OE1 GLN A 26 11.000 0.044 5.408 1.00 0.00 O ATOM 355 NE2 GLN A 26 10.172 1.021 7.252 1.00 0.00 N ATOM 0 H GLN A 26 11.059 5.450 6.023 1.00 0.00 H new ATOM 0 HA GLN A 26 11.537 3.297 7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.518 3.775 5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.910 2.367 6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.016 3.057 5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.914 2.343 4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.927 1.888 7.730 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.022 0.124 7.714 1.00 0.00 H new ATOM 364 N GLN A 27 13.223 5.455 8.578 1.00 0.00 N ATOM 365 CA GLN A 27 14.431 6.068 9.117 1.00 0.00 C ATOM 366 C GLN A 27 15.417 6.401 8.003 1.00 0.00 C ATOM 367 O GLN A 27 16.612 6.130 8.115 1.00 0.00 O ATOM 368 CB GLN A 27 15.090 5.135 10.135 1.00 0.00 C ATOM 369 CG GLN A 27 14.313 5.006 11.435 1.00 0.00 C ATOM 370 CD GLN A 27 14.547 6.174 12.373 1.00 0.00 C ATOM 371 OE1 GLN A 27 14.619 7.325 11.944 1.00 0.00 O ATOM 372 NE2 GLN A 27 14.668 5.882 13.663 1.00 0.00 N ATOM 0 H GLN A 27 12.354 5.826 8.962 1.00 0.00 H new ATOM 0 HA GLN A 27 14.147 6.995 9.614 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.203 4.147 9.689 1.00 0.00 H new ATOM 0 HB3 GLN A 27 16.092 5.502 10.356 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.249 4.932 11.212 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.599 4.081 11.935 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.602 4.913 13.975 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.827 6.627 14.342 1.00 0.00 H new ATOM 381 N GLY A 28 14.908 6.992 6.926 1.00 0.00 N ATOM 382 CA GLY A 28 15.757 7.353 5.806 1.00 0.00 C ATOM 383 C GLY A 28 15.084 8.325 4.857 1.00 0.00 C ATOM 384 O GLY A 28 15.702 9.290 4.406 1.00 0.00 O ATOM 0 H GLY A 28 13.922 7.227 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.679 7.796 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.036 6.452 5.260 1.00 0.00 H new ATOM 388 N SER A 29 13.816 8.071 4.553 1.00 0.00 N ATOM 389 CA SER A 29 13.060 8.929 3.648 1.00 0.00 C ATOM 390 C SER A 29 12.541 10.164 4.376 1.00 0.00 C ATOM 391 O SER A 29 11.939 10.061 5.445 1.00 0.00 O ATOM 392 CB SER A 29 11.891 8.155 3.035 1.00 0.00 C ATOM 393 OG SER A 29 12.340 6.969 2.403 1.00 0.00 O ATOM 0 H SER A 29 13.290 7.278 4.920 1.00 0.00 H new ATOM 0 HA SER A 29 13.729 9.254 2.851 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.169 7.906 3.812 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.375 8.784 2.310 1.00 0.00 H new ATOM 0 HG SER A 29 11.574 6.492 2.021 1.00 0.00 H new ATOM 399 N SER A 30 12.779 11.333 3.790 1.00 0.00 N ATOM 400 CA SER A 30 12.340 12.590 4.384 1.00 0.00 C ATOM 401 C SER A 30 10.911 12.474 4.906 1.00 0.00 C ATOM 402 O SER A 30 10.627 12.825 6.051 1.00 0.00 O ATOM 403 CB SER A 30 12.430 13.722 3.359 1.00 0.00 C ATOM 404 OG SER A 30 13.728 13.797 2.794 1.00 0.00 O ATOM 0 H SER A 30 13.274 11.436 2.904 1.00 0.00 H new ATOM 0 HA SER A 30 12.998 12.816 5.223 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.695 13.562 2.570 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.183 14.670 3.837 1.00 0.00 H new ATOM 0 HG SER A 30 13.759 14.527 2.141 1.00 0.00 H new ATOM 410 N GLU A 31 10.016 11.979 4.057 1.00 0.00 N ATOM 411 CA GLU A 31 8.616 11.818 4.432 1.00 0.00 C ATOM 412 C GLU A 31 8.141 10.393 4.163 1.00 0.00 C ATOM 413 O GLU A 31 8.597 9.725 3.234 1.00 0.00 O ATOM 414 CB GLU A 31 7.741 12.812 3.665 1.00 0.00 C ATOM 415 CG GLU A 31 7.770 12.612 2.159 1.00 0.00 C ATOM 416 CD GLU A 31 6.818 13.539 1.430 1.00 0.00 C ATOM 417 OE1 GLU A 31 5.646 13.152 1.236 1.00 0.00 O ATOM 418 OE2 GLU A 31 7.243 14.651 1.052 1.00 0.00 O ATOM 0 H GLU A 31 10.235 11.683 3.106 1.00 0.00 H new ATOM 0 HA GLU A 31 8.528 12.017 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.713 12.723 4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.070 13.825 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.784 12.777 1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.513 11.578 1.928 1.00 0.00 H new ATOM 425 N PRO A 32 7.204 9.914 4.994 1.00 0.00 N ATOM 426 CA PRO A 32 6.647 8.565 4.867 1.00 0.00 C ATOM 427 C PRO A 32 5.766 8.415 3.631 1.00 0.00 C ATOM 428 O PRO A 32 5.052 9.343 3.249 1.00 0.00 O ATOM 429 CB PRO A 32 5.813 8.403 6.140 1.00 0.00 C ATOM 430 CG PRO A 32 5.454 9.794 6.537 1.00 0.00 C ATOM 431 CD PRO A 32 6.615 10.655 6.123 1.00 0.00 C ATOM 0 HA PRO A 32 7.427 7.812 4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.923 7.801 5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.380 7.901 6.924 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.535 10.115 6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.282 9.861 7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.290 11.651 5.824 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.330 10.784 6.936 1.00 0.00 H new ATOM 439 N VAL A 33 5.821 7.242 3.009 1.00 0.00 N ATOM 440 CA VAL A 33 5.027 6.971 1.816 1.00 0.00 C ATOM 441 C VAL A 33 4.075 5.802 2.044 1.00 0.00 C ATOM 442 O VAL A 33 4.088 5.173 3.103 1.00 0.00 O ATOM 443 CB VAL A 33 5.924 6.659 0.604 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.773 7.868 0.243 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.799 5.448 0.886 1.00 0.00 C ATOM 0 H VAL A 33 6.407 6.464 3.311 1.00 0.00 H new ATOM 0 HA VAL A 33 4.449 7.872 1.609 1.00 0.00 H new ATOM 0 HB VAL A 33 5.285 6.426 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.400 7.629 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.124 8.708 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.404 8.135 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.426 5.242 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.431 5.649 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.168 4.583 1.091 1.00 0.00 H new ATOM 455 N VAL A 34 3.249 5.514 1.043 1.00 0.00 N ATOM 456 CA VAL A 34 2.291 4.419 1.133 1.00 0.00 C ATOM 457 C VAL A 34 2.969 3.131 1.583 1.00 0.00 C ATOM 458 O VAL A 34 2.399 2.352 2.347 1.00 0.00 O ATOM 459 CB VAL A 34 1.591 4.174 -0.217 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.783 2.886 -0.173 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.706 5.356 -0.581 1.00 0.00 C ATOM 0 H VAL A 34 3.224 6.024 0.160 1.00 0.00 H new ATOM 0 HA VAL A 34 1.545 4.711 1.873 1.00 0.00 H new ATOM 0 HB VAL A 34 2.354 4.070 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.296 2.729 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.446 2.047 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.027 2.957 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.220 5.165 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.052 5.494 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.315 6.257 -0.657 1.00 0.00 H new ATOM 471 N GLN A 35 4.190 2.913 1.105 1.00 0.00 N ATOM 472 CA GLN A 35 4.947 1.717 1.459 1.00 0.00 C ATOM 473 C GLN A 35 4.940 1.496 2.968 1.00 0.00 C ATOM 474 O GLN A 35 4.777 0.370 3.439 1.00 0.00 O ATOM 475 CB GLN A 35 6.386 1.831 0.954 1.00 0.00 C ATOM 476 CG GLN A 35 7.288 0.703 1.428 1.00 0.00 C ATOM 477 CD GLN A 35 6.676 -0.666 1.205 1.00 0.00 C ATOM 478 OE1 GLN A 35 6.395 -1.056 0.071 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.466 -1.404 2.288 1.00 0.00 N ATOM 0 H GLN A 35 4.676 3.548 0.472 1.00 0.00 H new ATOM 0 HA GLN A 35 4.470 0.860 0.983 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.380 1.846 -0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.804 2.782 1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.242 0.760 0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.500 0.834 2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.714 -1.041 3.208 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.057 -2.334 2.200 1.00 0.00 H new ATOM 488 N ASP A 36 5.119 2.576 3.720 1.00 0.00 N ATOM 489 CA ASP A 36 5.133 2.500 5.176 1.00 0.00 C ATOM 490 C ASP A 36 3.762 2.099 5.712 1.00 0.00 C ATOM 491 O ASP A 36 3.656 1.268 6.615 1.00 0.00 O ATOM 492 CB ASP A 36 5.555 3.843 5.774 1.00 0.00 C ATOM 493 CG ASP A 36 7.020 4.150 5.531 1.00 0.00 C ATOM 494 OD1 ASP A 36 7.876 3.482 6.149 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.310 5.057 4.724 1.00 0.00 O ATOM 0 H ASP A 36 5.256 3.515 3.345 1.00 0.00 H new ATOM 0 HA ASP A 36 5.855 1.738 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.944 4.637 5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.361 3.837 6.847 1.00 0.00 H new ATOM 500 N LEU A 37 2.716 2.695 5.152 1.00 0.00 N ATOM 501 CA LEU A 37 1.351 2.401 5.575 1.00 0.00 C ATOM 502 C LEU A 37 1.055 0.909 5.463 1.00 0.00 C ATOM 503 O LEU A 37 0.544 0.296 6.399 1.00 0.00 O ATOM 504 CB LEU A 37 0.352 3.195 4.730 1.00 0.00 C ATOM 505 CG LEU A 37 -1.055 2.607 4.625 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.684 2.477 6.004 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.926 3.465 3.719 1.00 0.00 C ATOM 0 H LEU A 37 2.786 3.385 4.404 1.00 0.00 H new ATOM 0 HA LEU A 37 1.250 2.695 6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.274 4.200 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.758 3.296 3.723 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.980 1.612 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.685 2.057 5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.072 1.821 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.746 3.461 6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.924 3.031 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.994 4.473 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.485 3.506 2.723 1.00 0.00 H new ATOM 519 N ALA A 38 1.383 0.331 4.312 1.00 0.00 N ATOM 520 CA ALA A 38 1.158 -1.090 4.080 1.00 0.00 C ATOM 521 C ALA A 38 1.890 -1.939 5.114 1.00 0.00 C ATOM 522 O ALA A 38 1.362 -2.943 5.591 1.00 0.00 O ATOM 523 CB ALA A 38 1.597 -1.472 2.674 1.00 0.00 C ATOM 0 H ALA A 38 1.805 0.825 3.526 1.00 0.00 H new ATOM 0 HA ALA A 38 0.090 -1.284 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.423 -2.536 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.024 -0.898 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.658 -1.256 2.553 1.00 0.00 H new ATOM 529 N GLN A 39 3.108 -1.529 5.453 1.00 0.00 N ATOM 530 CA GLN A 39 3.912 -2.253 6.430 1.00 0.00 C ATOM 531 C GLN A 39 3.288 -2.170 7.819 1.00 0.00 C ATOM 532 O GLN A 39 3.046 -3.190 8.464 1.00 0.00 O ATOM 533 CB GLN A 39 5.337 -1.696 6.463 1.00 0.00 C ATOM 534 CG GLN A 39 6.282 -2.382 5.490 1.00 0.00 C ATOM 535 CD GLN A 39 6.975 -3.584 6.100 1.00 0.00 C ATOM 536 OE1 GLN A 39 8.154 -3.524 6.451 1.00 0.00 O ATOM 537 NE2 GLN A 39 6.245 -4.686 6.229 1.00 0.00 N ATOM 0 H GLN A 39 3.559 -0.700 5.066 1.00 0.00 H new ATOM 0 HA GLN A 39 3.946 -3.300 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.307 -0.630 6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.734 -1.796 7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.724 -2.698 4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.032 -1.667 5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.271 -4.691 5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.658 -5.527 6.632 1.00 0.00 H new ATOM 546 N VAL A 40 3.031 -0.948 8.274 1.00 0.00 N ATOM 547 CA VAL A 40 2.434 -0.731 9.587 1.00 0.00 C ATOM 548 C VAL A 40 1.221 -1.631 9.795 1.00 0.00 C ATOM 549 O VAL A 40 0.955 -2.086 10.907 1.00 0.00 O ATOM 550 CB VAL A 40 2.008 0.737 9.774 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.237 0.908 11.074 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.223 1.652 9.740 1.00 0.00 C ATOM 0 H VAL A 40 3.227 -0.093 7.753 1.00 0.00 H new ATOM 0 HA VAL A 40 3.197 -0.977 10.326 1.00 0.00 H new ATOM 0 HB VAL A 40 1.350 1.014 8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.944 1.952 11.189 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.345 0.281 11.053 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.868 0.614 11.913 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.904 2.686 9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.908 1.377 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.729 1.550 8.780 1.00 0.00 H new ATOM 562 N VAL A 41 0.488 -1.886 8.715 1.00 0.00 N ATOM 563 CA VAL A 41 -0.697 -2.733 8.778 1.00 0.00 C ATOM 564 C VAL A 41 -0.320 -4.185 9.050 1.00 0.00 C ATOM 565 O VAL A 41 -0.721 -4.762 10.060 1.00 0.00 O ATOM 566 CB VAL A 41 -1.509 -2.661 7.472 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.576 -3.744 7.445 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.132 -1.283 7.307 1.00 0.00 C ATOM 0 H VAL A 41 0.694 -1.518 7.786 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.310 -2.359 9.598 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.832 -2.831 6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.139 -3.677 6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.102 -4.723 7.512 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.253 -3.609 8.289 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.702 -1.250 6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.796 -1.081 8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.345 -0.529 7.276 1.00 0.00 H new ATOM 578 N GLU A 42 0.454 -4.770 8.141 1.00 0.00 N ATOM 579 CA GLU A 42 0.885 -6.156 8.283 1.00 0.00 C ATOM 580 C GLU A 42 1.742 -6.333 9.533 1.00 0.00 C ATOM 581 O GLU A 42 1.906 -7.446 10.032 1.00 0.00 O ATOM 582 CB GLU A 42 1.670 -6.598 7.046 1.00 0.00 C ATOM 583 CG GLU A 42 1.972 -8.087 7.018 1.00 0.00 C ATOM 584 CD GLU A 42 3.154 -8.426 6.130 1.00 0.00 C ATOM 585 OE1 GLU A 42 3.131 -8.042 4.942 1.00 0.00 O ATOM 586 OE2 GLU A 42 4.100 -9.075 6.623 1.00 0.00 O ATOM 0 H GLU A 42 0.795 -4.306 7.299 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.004 -6.779 8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.104 -6.334 6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.608 -6.045 7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.173 -8.432 8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.092 -8.626 6.667 1.00 0.00 H new ATOM 593 N GLU A 43 2.286 -5.228 10.033 1.00 0.00 N ATOM 594 CA GLU A 43 3.128 -5.262 11.223 1.00 0.00 C ATOM 595 C GLU A 43 2.285 -5.127 12.488 1.00 0.00 C ATOM 596 O GLU A 43 2.528 -5.808 13.485 1.00 0.00 O ATOM 597 CB GLU A 43 4.171 -4.144 11.170 1.00 0.00 C ATOM 598 CG GLU A 43 5.277 -4.392 10.158 1.00 0.00 C ATOM 599 CD GLU A 43 6.039 -5.675 10.429 1.00 0.00 C ATOM 600 OE1 GLU A 43 5.505 -6.760 10.117 1.00 0.00 O ATOM 601 OE2 GLU A 43 7.170 -5.593 10.952 1.00 0.00 O ATOM 0 H GLU A 43 2.159 -4.299 9.633 1.00 0.00 H new ATOM 0 HA GLU A 43 3.640 -6.224 11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.673 -3.205 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.614 -4.025 12.159 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.846 -4.434 9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.971 -3.552 10.171 1.00 0.00 H new ATOM 608 N VAL A 44 1.294 -4.243 12.441 1.00 0.00 N ATOM 609 CA VAL A 44 0.415 -4.018 13.582 1.00 0.00 C ATOM 610 C VAL A 44 -0.812 -4.921 13.517 1.00 0.00 C ATOM 611 O VAL A 44 -1.027 -5.756 14.396 1.00 0.00 O ATOM 612 CB VAL A 44 -0.045 -2.550 13.655 1.00 0.00 C ATOM 613 CG1 VAL A 44 -0.985 -2.342 14.833 1.00 0.00 C ATOM 614 CG2 VAL A 44 1.155 -1.620 13.749 1.00 0.00 C ATOM 0 H VAL A 44 1.080 -3.671 11.624 1.00 0.00 H new ATOM 0 HA VAL A 44 0.990 -4.256 14.477 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.589 -2.312 12.741 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.299 -1.299 14.868 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.860 -2.981 14.717 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.470 -2.597 15.759 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.811 -0.587 13.800 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.729 -1.856 14.645 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.786 -1.750 12.870 1.00 0.00 H new ATOM 624 N ILE A 45 -1.612 -4.749 12.471 1.00 0.00 N ATOM 625 CA ILE A 45 -2.816 -5.550 12.290 1.00 0.00 C ATOM 626 C ILE A 45 -2.476 -7.029 12.148 1.00 0.00 C ATOM 627 O ILE A 45 -2.968 -7.866 12.904 1.00 0.00 O ATOM 628 CB ILE A 45 -3.614 -5.096 11.053 1.00 0.00 C ATOM 629 CG1 ILE A 45 -4.042 -3.635 11.203 1.00 0.00 C ATOM 630 CG2 ILE A 45 -4.827 -5.991 10.848 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.856 -3.122 10.035 1.00 0.00 C ATOM 0 H ILE A 45 -1.448 -4.062 11.735 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.428 -5.405 13.180 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.973 -5.179 10.175 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.625 -3.528 12.117 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.153 -3.014 11.317 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.381 -5.658 9.970 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.499 -7.020 10.701 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.471 -5.937 11.726 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.125 -2.080 10.209 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.268 -3.197 9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.763 -3.719 9.933 1.00 0.00 H new ATOM 643 N GLY A 46 -1.629 -7.345 11.173 1.00 0.00 N ATOM 644 CA GLY A 46 -1.236 -8.724 10.951 1.00 0.00 C ATOM 645 C GLY A 46 -1.735 -9.263 9.624 1.00 0.00 C ATOM 646 O GLY A 46 -1.825 -10.475 9.432 1.00 0.00 O ATOM 0 H GLY A 46 -1.208 -6.671 10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.149 -8.799 10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.623 -9.344 11.760 1.00 0.00 H new ATOM 650 N VAL A 47 -2.062 -8.359 8.706 1.00 0.00 N ATOM 651 CA VAL A 47 -2.556 -8.749 7.391 1.00 0.00 C ATOM 652 C VAL A 47 -1.527 -8.449 6.306 1.00 0.00 C ATOM 653 O VAL A 47 -0.992 -7.344 6.213 1.00 0.00 O ATOM 654 CB VAL A 47 -3.873 -8.027 7.049 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.363 -8.437 5.668 1.00 0.00 C ATOM 656 CG2 VAL A 47 -4.928 -8.315 8.106 1.00 0.00 C ATOM 0 H VAL A 47 -1.994 -7.351 8.849 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.739 -9.823 7.427 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.687 -6.953 7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.294 -7.917 5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.612 -8.175 4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.534 -9.513 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.852 -7.797 7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.114 -9.388 8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.575 -7.967 9.077 1.00 0.00 H new ATOM 666 N PRO A 48 -1.243 -9.455 5.466 1.00 0.00 N ATOM 667 CA PRO A 48 -0.277 -9.322 4.371 1.00 0.00 C ATOM 668 C PRO A 48 -0.781 -8.407 3.261 1.00 0.00 C ATOM 669 O PRO A 48 -1.978 -8.359 2.980 1.00 0.00 O ATOM 670 CB PRO A 48 -0.127 -10.755 3.856 1.00 0.00 C ATOM 671 CG PRO A 48 -1.404 -11.427 4.226 1.00 0.00 C ATOM 672 CD PRO A 48 -1.843 -10.798 5.519 1.00 0.00 C ATOM 0 HA PRO A 48 0.659 -8.874 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.032 -10.773 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.729 -11.252 4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.157 -11.289 3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.260 -12.501 4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.929 -10.750 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.489 -11.363 6.381 1.00 0.00 H new ATOM 680 N GLN A 49 0.140 -7.682 2.634 1.00 0.00 N ATOM 681 CA GLN A 49 -0.213 -6.768 1.554 1.00 0.00 C ATOM 682 C GLN A 49 -0.964 -7.498 0.446 1.00 0.00 C ATOM 683 O GLN A 49 -1.558 -6.872 -0.432 1.00 0.00 O ATOM 684 CB GLN A 49 1.044 -6.107 0.985 1.00 0.00 C ATOM 685 CG GLN A 49 1.856 -5.349 2.023 1.00 0.00 C ATOM 686 CD GLN A 49 3.056 -4.643 1.424 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.086 -4.351 0.228 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.055 -4.365 2.254 1.00 0.00 N ATOM 0 H GLN A 49 1.135 -7.710 2.855 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.866 -5.998 1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.674 -6.873 0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.755 -5.420 0.190 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.216 -4.616 2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.194 -6.044 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.988 -4.625 3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.889 -3.891 1.907 1.00 0.00 H new ATOM 697 N SER A 50 -0.932 -8.826 0.492 1.00 0.00 N ATOM 698 CA SER A 50 -1.606 -9.643 -0.511 1.00 0.00 C ATOM 699 C SER A 50 -3.072 -9.854 -0.143 1.00 0.00 C ATOM 700 O SER A 50 -3.909 -10.115 -1.008 1.00 0.00 O ATOM 701 CB SER A 50 -0.905 -10.994 -0.654 1.00 0.00 C ATOM 702 OG SER A 50 0.347 -10.853 -1.304 1.00 0.00 O ATOM 0 H SER A 50 -0.446 -9.359 1.213 1.00 0.00 H new ATOM 0 HA SER A 50 -1.560 -9.116 -1.464 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.759 -11.437 0.331 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.538 -11.677 -1.221 1.00 0.00 H new ATOM 0 HG SER A 50 0.776 -11.731 -1.382 1.00 0.00 H new ATOM 708 N PHE A 51 -3.375 -9.740 1.146 1.00 0.00 N ATOM 709 CA PHE A 51 -4.739 -9.919 1.629 1.00 0.00 C ATOM 710 C PHE A 51 -5.388 -8.573 1.938 1.00 0.00 C ATOM 711 O PHE A 51 -6.596 -8.403 1.775 1.00 0.00 O ATOM 712 CB PHE A 51 -4.747 -10.801 2.880 1.00 0.00 C ATOM 713 CG PHE A 51 -4.510 -12.256 2.589 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.362 -12.666 1.932 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.436 -13.212 2.972 1.00 0.00 C ATOM 716 CE1 PHE A 51 -3.140 -14.004 1.663 1.00 0.00 C ATOM 717 CE2 PHE A 51 -5.220 -14.551 2.707 1.00 0.00 C ATOM 718 CZ PHE A 51 -4.071 -14.947 2.050 1.00 0.00 C ATOM 0 H PHE A 51 -2.694 -9.525 1.875 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.315 -10.408 0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.981 -10.447 3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.706 -10.691 3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.631 -11.932 1.626 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.337 -12.908 3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.240 -14.311 1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.949 -15.287 3.013 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.901 -15.993 1.839 1.00 0.00 H new ATOM 728 N GLN A 52 -4.576 -7.620 2.386 1.00 0.00 N ATOM 729 CA GLN A 52 -5.071 -6.290 2.719 1.00 0.00 C ATOM 730 C GLN A 52 -5.147 -5.410 1.475 1.00 0.00 C ATOM 731 O GLN A 52 -4.294 -5.492 0.591 1.00 0.00 O ATOM 732 CB GLN A 52 -4.170 -5.635 3.767 1.00 0.00 C ATOM 733 CG GLN A 52 -2.760 -5.360 3.271 1.00 0.00 C ATOM 734 CD GLN A 52 -2.133 -4.150 3.936 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.716 -3.066 3.954 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.939 -4.330 4.487 1.00 0.00 N ATOM 0 H GLN A 52 -3.573 -7.745 2.526 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.075 -6.396 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.623 -4.697 4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.118 -6.280 4.644 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.137 -6.235 3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.782 -5.206 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.492 -5.246 4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.468 -3.552 4.949 1.00 0.00 H new ATOM 745 N LYS A 53 -6.173 -4.569 1.413 1.00 0.00 N ATOM 746 CA LYS A 53 -6.361 -3.672 0.279 1.00 0.00 C ATOM 747 C LYS A 53 -6.694 -2.261 0.751 1.00 0.00 C ATOM 748 O LYS A 53 -7.745 -2.027 1.350 1.00 0.00 O ATOM 749 CB LYS A 53 -7.476 -4.194 -0.631 1.00 0.00 C ATOM 750 CG LYS A 53 -7.797 -3.268 -1.791 1.00 0.00 C ATOM 751 CD LYS A 53 -9.254 -3.381 -2.208 1.00 0.00 C ATOM 752 CE LYS A 53 -9.515 -4.667 -2.978 1.00 0.00 C ATOM 753 NZ LYS A 53 -8.855 -4.658 -4.313 1.00 0.00 N ATOM 0 H LYS A 53 -6.888 -4.490 2.136 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.428 -3.637 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.186 -5.168 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.378 -4.345 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.578 -2.239 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.155 -3.509 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.890 -3.350 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.524 -2.525 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.152 -5.517 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.589 -4.803 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.288 -5.384 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.974 -3.723 -4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.841 -4.861 -4.200 1.00 0.00 H new ATOM 767 N LEU A 54 -5.795 -1.322 0.475 1.00 0.00 N ATOM 768 CA LEU A 54 -5.995 0.068 0.870 1.00 0.00 C ATOM 769 C LEU A 54 -6.964 0.769 -0.076 1.00 0.00 C ATOM 770 O LEU A 54 -6.906 0.581 -1.291 1.00 0.00 O ATOM 771 CB LEU A 54 -4.657 0.810 0.890 1.00 0.00 C ATOM 772 CG LEU A 54 -3.907 0.806 2.223 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.815 1.281 3.347 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.363 -0.582 2.524 1.00 0.00 C ATOM 0 H LEU A 54 -4.921 -1.498 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.424 0.077 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.010 0.371 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.834 1.845 0.599 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.066 1.495 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.265 1.272 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.156 2.295 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.676 0.618 3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.832 -0.566 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.188 -1.292 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.678 -0.884 1.732 1.00 0.00 H new ATOM 786 N ILE A 55 -7.853 1.579 0.490 1.00 0.00 N ATOM 787 CA ILE A 55 -8.833 2.310 -0.304 1.00 0.00 C ATOM 788 C ILE A 55 -9.155 3.660 0.328 1.00 0.00 C ATOM 789 O ILE A 55 -9.834 3.732 1.353 1.00 0.00 O ATOM 790 CB ILE A 55 -10.138 1.508 -0.467 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.829 0.074 -0.902 1.00 0.00 C ATOM 792 CG2 ILE A 55 -11.055 2.187 -1.473 1.00 0.00 C ATOM 793 CD1 ILE A 55 -11.016 -0.858 -0.796 1.00 0.00 C ATOM 0 H ILE A 55 -7.915 1.745 1.494 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.388 2.468 -1.287 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.649 1.474 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.476 0.084 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.015 -0.316 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.973 1.608 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.297 3.191 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.553 2.249 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.724 -1.857 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.356 -0.897 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.824 -0.492 -1.430 1.00 0.00 H new ATOM 805 N PHE A 56 -8.664 4.729 -0.290 1.00 0.00 N ATOM 806 CA PHE A 56 -8.900 6.078 0.211 1.00 0.00 C ATOM 807 C PHE A 56 -9.678 6.908 -0.806 1.00 0.00 C ATOM 808 O PHE A 56 -9.251 7.070 -1.949 1.00 0.00 O ATOM 809 CB PHE A 56 -7.571 6.763 0.537 1.00 0.00 C ATOM 810 CG PHE A 56 -7.734 8.094 1.214 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.376 8.190 2.438 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.244 9.250 0.627 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.527 9.413 3.063 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.392 10.476 1.247 1.00 0.00 C ATOM 815 CZ PHE A 56 -8.033 10.558 2.467 1.00 0.00 C ATOM 0 H PHE A 56 -8.100 4.687 -1.139 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.495 6.002 1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.981 6.108 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.006 6.900 -0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.763 7.299 2.909 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.740 9.192 -0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.031 9.474 4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.007 11.369 0.778 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.148 11.515 2.955 1.00 0.00 H new ATOM 825 N LYS A 57 -10.823 7.431 -0.381 1.00 0.00 N ATOM 826 CA LYS A 57 -11.663 8.245 -1.252 1.00 0.00 C ATOM 827 C LYS A 57 -12.139 7.439 -2.457 1.00 0.00 C ATOM 828 O LYS A 57 -12.148 7.934 -3.583 1.00 0.00 O ATOM 829 CB LYS A 57 -10.895 9.482 -1.724 1.00 0.00 C ATOM 830 CG LYS A 57 -10.948 10.641 -0.744 1.00 0.00 C ATOM 831 CD LYS A 57 -9.754 11.567 -0.910 1.00 0.00 C ATOM 832 CE LYS A 57 -9.772 12.689 0.116 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.840 13.687 -0.172 1.00 0.00 N ATOM 0 H LYS A 57 -11.191 7.306 0.562 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.536 8.562 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.854 9.209 -1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.301 9.808 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.869 11.204 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.972 10.256 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.832 10.995 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.758 11.991 -1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.925 12.270 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.803 13.187 0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.787 14.462 0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.709 14.069 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.771 13.228 -0.107 1.00 0.00 H new ATOM 847 N GLY A 58 -12.536 6.194 -2.211 1.00 0.00 N ATOM 848 CA GLY A 58 -13.010 5.341 -3.285 1.00 0.00 C ATOM 849 C GLY A 58 -11.934 5.053 -4.314 1.00 0.00 C ATOM 850 O GLY A 58 -12.227 4.876 -5.497 1.00 0.00 O ATOM 0 H GLY A 58 -12.538 5.761 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.369 4.401 -2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.859 5.817 -3.775 1.00 0.00 H new ATOM 854 N LYS A 59 -10.685 5.008 -3.865 1.00 0.00 N ATOM 855 CA LYS A 59 -9.561 4.741 -4.754 1.00 0.00 C ATOM 856 C LYS A 59 -8.641 3.677 -4.163 1.00 0.00 C ATOM 857 O LYS A 59 -8.183 3.800 -3.027 1.00 0.00 O ATOM 858 CB LYS A 59 -8.771 6.026 -5.012 1.00 0.00 C ATOM 859 CG LYS A 59 -9.326 6.861 -6.153 1.00 0.00 C ATOM 860 CD LYS A 59 -9.099 6.190 -7.498 1.00 0.00 C ATOM 861 CE LYS A 59 -7.761 6.588 -8.101 1.00 0.00 C ATOM 862 NZ LYS A 59 -6.668 5.667 -7.683 1.00 0.00 N ATOM 0 H LYS A 59 -10.425 5.153 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.958 4.370 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.764 6.627 -4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.735 5.768 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.393 7.022 -6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.852 7.843 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.137 5.107 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.903 6.462 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.839 6.589 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.514 7.605 -7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.975 5.579 -8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.198 6.047 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.066 4.731 -7.467 1.00 0.00 H new ATOM 876 N SER A 60 -8.374 2.633 -4.942 1.00 0.00 N ATOM 877 CA SER A 60 -7.510 1.547 -4.495 1.00 0.00 C ATOM 878 C SER A 60 -6.046 1.973 -4.517 1.00 0.00 C ATOM 879 O SER A 60 -5.482 2.247 -5.577 1.00 0.00 O ATOM 880 CB SER A 60 -7.708 0.313 -5.378 1.00 0.00 C ATOM 881 OG SER A 60 -7.667 0.658 -6.752 1.00 0.00 O ATOM 0 H SER A 60 -8.744 2.517 -5.885 1.00 0.00 H new ATOM 0 HA SER A 60 -7.782 1.298 -3.469 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.933 -0.422 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.665 -0.155 -5.146 1.00 0.00 H new ATOM 0 HG SER A 60 -6.958 1.317 -6.903 1.00 0.00 H new ATOM 887 N LEU A 61 -5.434 2.026 -3.339 1.00 0.00 N ATOM 888 CA LEU A 61 -4.034 2.419 -3.220 1.00 0.00 C ATOM 889 C LEU A 61 -3.115 1.212 -3.380 1.00 0.00 C ATOM 890 O LEU A 61 -3.098 0.315 -2.536 1.00 0.00 O ATOM 891 CB LEU A 61 -3.784 3.089 -1.868 1.00 0.00 C ATOM 892 CG LEU A 61 -4.742 4.221 -1.493 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.490 4.683 -0.066 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.600 5.384 -2.465 1.00 0.00 C ATOM 0 H LEU A 61 -5.885 1.802 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.813 3.130 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.834 2.325 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.768 3.483 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.763 3.843 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.181 5.489 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.643 3.849 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.465 5.043 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.289 6.180 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.578 5.761 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.831 5.045 -3.475 1.00 0.00 H new ATOM 906 N LYS A 62 -2.350 1.197 -4.466 1.00 0.00 N ATOM 907 CA LYS A 62 -1.424 0.103 -4.735 1.00 0.00 C ATOM 908 C LYS A 62 0.014 0.607 -4.788 1.00 0.00 C ATOM 909 O LYS A 62 0.927 -0.041 -4.278 1.00 0.00 O ATOM 910 CB LYS A 62 -1.784 -0.583 -6.055 1.00 0.00 C ATOM 911 CG LYS A 62 -2.069 0.388 -7.188 1.00 0.00 C ATOM 912 CD LYS A 62 -2.771 -0.298 -8.348 1.00 0.00 C ATOM 913 CE LYS A 62 -3.680 0.664 -9.097 1.00 0.00 C ATOM 914 NZ LYS A 62 -2.945 1.414 -10.153 1.00 0.00 N ATOM 0 H LYS A 62 -2.353 1.931 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.507 -0.618 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.965 -1.240 -6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.659 -1.214 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.688 1.206 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.134 0.827 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.029 -0.707 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.357 -1.138 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.501 0.109 -9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.122 1.368 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.600 2.059 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.177 1.964 -9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.544 0.744 -10.840 1.00 0.00 H new ATOM 928 N GLU A 63 0.207 1.768 -5.406 1.00 0.00 N ATOM 929 CA GLU A 63 1.535 2.359 -5.524 1.00 0.00 C ATOM 930 C GLU A 63 2.115 2.672 -4.148 1.00 0.00 C ATOM 931 O GLU A 63 1.675 3.605 -3.475 1.00 0.00 O ATOM 932 CB GLU A 63 1.478 3.633 -6.368 1.00 0.00 C ATOM 933 CG GLU A 63 1.026 3.396 -7.799 1.00 0.00 C ATOM 934 CD GLU A 63 0.677 4.683 -8.522 1.00 0.00 C ATOM 935 OE1 GLU A 63 0.413 5.694 -7.840 1.00 0.00 O ATOM 936 OE2 GLU A 63 0.670 4.677 -9.771 1.00 0.00 O ATOM 0 H GLU A 63 -0.539 2.318 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 63 2.184 1.635 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.799 4.342 -5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.465 4.095 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.816 2.880 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.157 2.738 -7.797 1.00 0.00 H new ATOM 943 N MET A 64 3.104 1.887 -3.736 1.00 0.00 N ATOM 944 CA MET A 64 3.745 2.081 -2.440 1.00 0.00 C ATOM 945 C MET A 64 4.751 3.227 -2.497 1.00 0.00 C ATOM 946 O MET A 64 4.893 3.986 -1.540 1.00 0.00 O ATOM 947 CB MET A 64 4.444 0.795 -1.995 1.00 0.00 C ATOM 948 CG MET A 64 3.537 -0.425 -2.005 1.00 0.00 C ATOM 949 SD MET A 64 2.506 -0.535 -0.529 1.00 0.00 S ATOM 950 CE MET A 64 0.878 -0.289 -1.234 1.00 0.00 C ATOM 0 H MET A 64 3.480 1.110 -4.280 1.00 0.00 H new ATOM 0 HA MET A 64 2.972 2.335 -1.715 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.296 0.609 -2.649 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.839 0.935 -0.989 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.899 -0.391 -2.888 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.146 -1.325 -2.086 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.149 -0.170 -0.433 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.882 0.606 -1.856 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.611 -1.153 -1.843 1.00 0.00 H new ATOM 960 N GLU A 65 5.445 3.343 -3.625 1.00 0.00 N ATOM 961 CA GLU A 65 6.438 4.396 -3.804 1.00 0.00 C ATOM 962 C GLU A 65 5.786 5.774 -3.744 1.00 0.00 C ATOM 963 O GLU A 65 6.453 6.780 -3.496 1.00 0.00 O ATOM 964 CB GLU A 65 7.164 4.221 -5.140 1.00 0.00 C ATOM 965 CG GLU A 65 6.271 4.434 -6.350 1.00 0.00 C ATOM 966 CD GLU A 65 7.041 4.915 -7.565 1.00 0.00 C ATOM 967 OE1 GLU A 65 7.878 5.829 -7.415 1.00 0.00 O ATOM 968 OE2 GLU A 65 6.807 4.375 -8.667 1.00 0.00 O ATOM 0 H GLU A 65 5.338 2.722 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 65 7.162 4.320 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.997 4.922 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.589 3.218 -5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.764 3.500 -6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.498 5.161 -6.103 1.00 0.00 H new ATOM 975 N THR A 66 4.477 5.814 -3.974 1.00 0.00 N ATOM 976 CA THR A 66 3.735 7.068 -3.948 1.00 0.00 C ATOM 977 C THR A 66 3.567 7.579 -2.522 1.00 0.00 C ATOM 978 O THR A 66 3.083 6.873 -1.637 1.00 0.00 O ATOM 979 CB THR A 66 2.344 6.911 -4.592 1.00 0.00 C ATOM 980 OG1 THR A 66 2.479 6.670 -5.997 1.00 0.00 O ATOM 981 CG2 THR A 66 1.498 8.154 -4.364 1.00 0.00 C ATOM 0 H THR A 66 3.909 4.992 -4.180 1.00 0.00 H new ATOM 0 HA THR A 66 4.315 7.790 -4.523 1.00 0.00 H new ATOM 0 HB THR A 66 1.846 6.062 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.627 6.346 -6.357 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.521 8.019 -4.828 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.372 8.317 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.994 9.018 -4.807 1.00 0.00 H new ATOM 989 N PRO A 67 3.976 8.835 -2.290 1.00 0.00 N ATOM 990 CA PRO A 67 3.880 9.468 -0.972 1.00 0.00 C ATOM 991 C PRO A 67 2.437 9.760 -0.573 1.00 0.00 C ATOM 992 O PRO A 67 1.717 10.465 -1.280 1.00 0.00 O ATOM 993 CB PRO A 67 4.660 10.774 -1.147 1.00 0.00 C ATOM 994 CG PRO A 67 4.581 11.069 -2.606 1.00 0.00 C ATOM 995 CD PRO A 67 4.563 9.734 -3.298 1.00 0.00 C ATOM 0 HA PRO A 67 4.270 8.825 -0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.223 11.579 -0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.694 10.664 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.684 11.642 -2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.434 11.665 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.965 9.762 -4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.566 9.416 -3.585 1.00 0.00 H new ATOM 1003 N LEU A 68 2.021 9.214 0.565 1.00 0.00 N ATOM 1004 CA LEU A 68 0.663 9.416 1.059 1.00 0.00 C ATOM 1005 C LEU A 68 0.253 10.880 0.940 1.00 0.00 C ATOM 1006 O LEU A 68 -0.931 11.196 0.824 1.00 0.00 O ATOM 1007 CB LEU A 68 0.557 8.962 2.515 1.00 0.00 C ATOM 1008 CG LEU A 68 1.015 7.533 2.808 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.520 7.416 4.238 1.00 0.00 C ATOM 1010 CD2 LEU A 68 -0.117 6.547 2.558 1.00 0.00 C ATOM 0 H LEU A 68 2.604 8.628 1.163 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.013 8.818 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.144 9.644 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.482 9.061 2.831 1.00 0.00 H new ATOM 0 HG LEU A 68 1.836 7.291 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.841 6.392 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.362 8.093 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.719 7.679 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.228 5.535 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.959 6.788 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.431 6.611 1.516 1.00 0.00 H new ATOM 1022 N SER A 69 1.240 11.770 0.966 1.00 0.00 N ATOM 1023 CA SER A 69 0.981 13.202 0.863 1.00 0.00 C ATOM 1024 C SER A 69 0.309 13.538 -0.465 1.00 0.00 C ATOM 1025 O SER A 69 -0.656 14.300 -0.509 1.00 0.00 O ATOM 1026 CB SER A 69 2.287 13.988 1.000 1.00 0.00 C ATOM 1027 OG SER A 69 2.036 15.330 1.380 1.00 0.00 O ATOM 0 H SER A 69 2.226 11.525 1.057 1.00 0.00 H new ATOM 0 HA SER A 69 0.308 13.484 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.927 13.510 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.827 13.970 0.054 1.00 0.00 H new ATOM 0 HG SER A 69 2.886 15.811 1.463 1.00 0.00 H new ATOM 1033 N ALA A 70 0.827 12.963 -1.546 1.00 0.00 N ATOM 1034 CA ALA A 70 0.276 13.199 -2.874 1.00 0.00 C ATOM 1035 C ALA A 70 -1.194 12.801 -2.938 1.00 0.00 C ATOM 1036 O ALA A 70 -2.017 13.513 -3.516 1.00 0.00 O ATOM 1037 CB ALA A 70 1.077 12.438 -3.920 1.00 0.00 C ATOM 0 H ALA A 70 1.627 12.331 -1.527 1.00 0.00 H new ATOM 0 HA ALA A 70 0.345 14.266 -3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.654 12.623 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.114 12.774 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.037 11.371 -3.703 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.519 11.659 -2.342 1.00 0.00 N ATOM 1044 CA LEU A 71 -2.892 11.165 -2.332 1.00 0.00 C ATOM 1045 C LEU A 71 -3.793 12.078 -1.507 1.00 0.00 C ATOM 1046 O LEU A 71 -5.014 12.061 -1.656 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.939 9.742 -1.771 1.00 0.00 C ATOM 1048 CG LEU A 71 -2.089 8.704 -2.504 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.816 7.507 -1.606 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.776 8.263 -3.789 1.00 0.00 C ATOM 0 H LEU A 71 -0.851 11.058 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.256 11.157 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.621 9.773 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.975 9.404 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.135 9.162 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.210 6.779 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.282 7.835 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.761 7.048 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.157 7.524 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.744 7.823 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.919 9.126 -4.440 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.182 12.877 -0.638 1.00 0.00 N ATOM 1063 CA GLY A 72 -3.944 13.788 0.196 1.00 0.00 C ATOM 1064 C GLY A 72 -4.031 13.322 1.635 1.00 0.00 C ATOM 1065 O GLY A 72 -4.433 14.081 2.517 1.00 0.00 O ATOM 0 H GLY A 72 -2.172 12.910 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.484 14.776 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.950 13.892 -0.210 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.654 12.070 1.874 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.693 11.504 3.216 1.00 0.00 C ATOM 1071 C ILE A 73 -2.731 12.233 4.148 1.00 0.00 C ATOM 1072 O ILE A 73 -1.624 12.597 3.751 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.341 10.004 3.205 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.408 9.213 2.445 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.200 9.483 4.627 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.884 7.938 1.821 1.00 0.00 C ATOM 0 H ILE A 73 -3.318 11.429 1.155 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.713 11.627 3.581 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.387 9.873 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.221 8.966 3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.829 9.845 1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.951 8.422 4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.408 10.030 5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.140 9.623 5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.694 7.429 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.091 8.179 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.489 7.287 2.601 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.161 12.441 5.388 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.336 13.126 6.377 1.00 0.00 C ATOM 1090 C GLN A 74 -2.708 12.692 7.791 1.00 0.00 C ATOM 1091 O GLN A 74 -3.751 12.075 8.007 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.492 14.642 6.239 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.220 15.415 6.550 1.00 0.00 C ATOM 1094 CD GLN A 74 -1.498 16.786 7.133 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -2.467 16.976 7.868 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -0.646 17.752 6.807 1.00 0.00 N ATOM 0 H GLN A 74 -4.075 12.146 5.732 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.296 12.856 6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.810 14.875 5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.285 14.980 6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.614 14.842 7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.634 15.524 5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.144 17.550 6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.782 18.696 7.169 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.847 13.016 8.749 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.085 12.660 10.143 1.00 0.00 C ATOM 1107 C ASP A 75 -3.424 13.211 10.624 1.00 0.00 C ATOM 1108 O ASP A 75 -3.579 14.417 10.812 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.955 13.188 11.027 1.00 0.00 C ATOM 1110 CG ASP A 75 -0.945 14.702 11.111 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.713 15.353 10.071 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.171 15.236 12.217 1.00 0.00 O ATOM 0 H ASP A 75 -0.978 13.525 8.586 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.113 11.573 10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.057 12.772 12.029 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.001 12.842 10.634 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.390 12.318 10.821 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.703 12.734 11.277 1.00 0.00 C ATOM 1119 C GLY A 76 -6.798 12.384 10.289 1.00 0.00 C ATOM 1120 O GLY A 76 -7.797 13.096 10.180 1.00 0.00 O ATOM 0 H GLY A 76 -4.286 11.314 10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.918 12.261 12.235 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.701 13.811 11.446 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.611 11.285 9.567 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.590 10.842 8.580 1.00 0.00 C ATOM 1126 C CYS A 77 -8.033 9.409 8.859 1.00 0.00 C ATOM 1127 O CYS A 77 -7.559 8.775 9.802 1.00 0.00 O ATOM 1128 CB CYS A 77 -7.006 10.943 7.170 1.00 0.00 C ATOM 1129 SG CYS A 77 -5.959 9.545 6.703 1.00 0.00 S ATOM 0 H CYS A 77 -5.791 10.684 9.646 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.461 11.493 8.651 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.824 11.025 6.454 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.423 11.861 7.095 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.158 9.252 5.452 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.945 8.906 8.033 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.454 7.550 8.193 1.00 0.00 C ATOM 1137 C ARG A 78 -9.490 6.822 6.852 1.00 0.00 C ATOM 1138 O ARG A 78 -10.259 7.181 5.960 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.854 7.576 8.809 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.851 7.535 10.328 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.196 7.957 10.900 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.425 9.392 10.759 1.00 0.00 N ATOM 1143 CZ ARG A 78 -13.273 10.079 11.516 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -13.968 9.465 12.463 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -13.426 11.384 11.328 1.00 0.00 N ATOM 0 H ARG A 78 -9.346 9.417 7.247 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.781 7.013 8.862 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.370 8.478 8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.424 6.727 8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.611 6.527 10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.070 8.193 10.709 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.992 7.411 10.394 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.243 7.684 11.954 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.905 9.895 10.040 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.852 8.463 12.612 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.619 9.995 13.043 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.892 11.861 10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.078 11.910 11.910 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.654 5.798 6.717 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.591 5.019 5.486 1.00 0.00 C ATOM 1161 C VAL A 79 -9.311 3.685 5.643 1.00 0.00 C ATOM 1162 O VAL A 79 -9.470 3.180 6.754 1.00 0.00 O ATOM 1163 CB VAL A 79 -7.133 4.757 5.062 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -7.089 3.905 3.803 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.395 6.070 4.854 1.00 0.00 C ATOM 0 H VAL A 79 -8.011 5.488 7.445 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.086 5.607 4.713 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.633 4.209 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.052 3.730 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.579 2.950 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.605 4.423 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.367 5.866 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.892 6.647 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.396 6.639 5.783 1.00 0.00 H new ATOM 1175 N MET A 80 -9.744 3.117 4.522 1.00 0.00 N ATOM 1176 CA MET A 80 -10.447 1.839 4.534 1.00 0.00 C ATOM 1177 C MET A 80 -9.549 0.721 4.014 1.00 0.00 C ATOM 1178 O MET A 80 -8.884 0.871 2.989 1.00 0.00 O ATOM 1179 CB MET A 80 -11.718 1.924 3.688 1.00 0.00 C ATOM 1180 CG MET A 80 -12.431 0.591 3.526 1.00 0.00 C ATOM 1181 SD MET A 80 -14.147 0.779 3.007 1.00 0.00 S ATOM 1182 CE MET A 80 -14.657 -0.935 2.897 1.00 0.00 C ATOM 0 H MET A 80 -9.620 3.522 3.594 1.00 0.00 H new ATOM 0 HA MET A 80 -10.720 1.612 5.564 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.402 2.639 4.145 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.463 2.312 2.702 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.898 -0.015 2.793 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.399 0.049 4.471 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.291 -1.070 2.021 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.777 -1.572 2.810 1.00 0.00 H new ATOM 0 HE3 MET A 80 -15.214 -1.207 3.793 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.536 -0.400 4.727 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.720 -1.545 4.338 1.00 0.00 C ATOM 1194 C LEU A 81 -9.566 -2.810 4.243 1.00 0.00 C ATOM 1195 O LEU A 81 -10.452 -3.039 5.067 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.584 -1.752 5.342 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.538 -2.801 4.965 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.686 -2.313 3.804 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.666 -3.139 6.165 1.00 0.00 C ATOM 0 H LEU A 81 -10.081 -0.540 5.578 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.295 -1.339 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.077 -0.798 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.020 -2.031 6.301 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.056 -3.707 4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.947 -3.073 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.323 -2.123 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.176 -1.392 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.927 -3.887 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.156 -2.239 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.289 -3.533 6.968 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.286 -3.628 3.234 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.020 -4.872 3.034 1.00 0.00 C ATOM 1213 C ILE A 82 -9.069 -6.060 2.925 1.00 0.00 C ATOM 1214 O ILE A 82 -8.162 -6.068 2.094 1.00 0.00 O ATOM 1215 CB ILE A 82 -10.895 -4.812 1.768 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -11.897 -3.660 1.869 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.617 -6.134 1.560 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.780 -3.519 0.648 1.00 0.00 C ATOM 0 H ILE A 82 -8.557 -3.452 2.543 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.663 -5.003 3.904 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.251 -4.634 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.526 -3.812 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.353 -2.728 2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.231 -6.076 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.886 -6.934 1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.252 -6.341 2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.465 -2.683 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.160 -3.336 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.351 -4.436 0.504 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.285 -7.063 3.771 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.441 -8.243 3.753 1.00 0.00 C ATOM 1232 C GLY A 83 -8.780 -9.215 4.865 1.00 0.00 C ATOM 1233 O GLY A 83 -9.651 -8.945 5.693 1.00 0.00 O ATOM 0 H GLY A 83 -10.029 -7.079 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.545 -8.745 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.398 -7.941 3.844 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.093 -10.352 4.885 1.00 0.00 N ATOM 1238 CA LYS A 84 -8.325 -11.370 5.903 1.00 0.00 C ATOM 1239 C LYS A 84 -7.013 -11.803 6.548 1.00 0.00 C ATOM 1240 O LYS A 84 -6.190 -12.469 5.920 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.029 -12.583 5.290 1.00 0.00 C ATOM 1242 CG LYS A 84 -9.115 -13.775 6.227 1.00 0.00 C ATOM 1243 CD LYS A 84 -9.149 -15.086 5.460 1.00 0.00 C ATOM 1244 CE LYS A 84 -10.530 -15.358 4.884 1.00 0.00 C ATOM 1245 NZ LYS A 84 -10.602 -16.690 4.222 1.00 0.00 N ATOM 0 H LYS A 84 -7.370 -10.592 4.207 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.963 -10.938 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.036 -12.294 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.500 -12.881 4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.260 -13.770 6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.010 -13.690 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.416 -15.056 4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.862 -15.903 6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.272 -15.308 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.783 -14.580 4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.559 -16.838 3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.912 -16.729 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.386 -17.434 4.915 1.00 0.00 H new