USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 433 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 60 SER OG : rot -80:sc= 1.11 USER MOD Set 1.2: A 61 ASN :FLIP amide:sc= -0.377 F(o=0.025,f=0.74) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.36 USER MOD Single : A 23 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-2.2!) USER MOD Single : A 28 SER OG : rot -13:sc= 0.0884! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -162:sc= -7.35! (180deg=-10.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -0.539 K(o=-0.54,f=-1.9) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 170:sc= 0 USER MOD Single : A 52 THR OG1 : rot -76:sc= -3.65! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 151:sc= -0.163 (180deg=-0.83) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 15.841 -13.898 -16.381 1.00 0.00 N ATOM 26 CA ASP A 11 16.909 -14.838 -16.820 1.00 0.00 C ATOM 27 C ASP A 11 18.253 -14.108 -16.820 1.00 0.00 C ATOM 28 O ASP A 11 18.314 -12.902 -16.952 1.00 0.00 O ATOM 29 CB ASP A 11 16.601 -15.340 -18.232 1.00 0.00 C ATOM 30 CG ASP A 11 17.044 -16.799 -18.362 1.00 0.00 C ATOM 31 OD1 ASP A 11 18.241 -17.032 -18.405 1.00 0.00 O ATOM 32 OD2 ASP A 11 16.179 -17.657 -18.417 1.00 0.00 O ATOM 0 HA ASP A 11 16.952 -15.687 -16.137 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.534 -15.253 -18.436 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.117 -14.725 -18.969 1.00 0.00 H new ATOM 37 N ILE A 12 19.333 -14.827 -16.671 1.00 0.00 N ATOM 38 CA ILE A 12 20.667 -14.165 -16.663 1.00 0.00 C ATOM 39 C ILE A 12 21.387 -14.447 -17.984 1.00 0.00 C ATOM 40 O ILE A 12 21.481 -15.576 -18.423 1.00 0.00 O ATOM 41 CB ILE A 12 21.502 -14.704 -15.500 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.652 -14.729 -14.228 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.717 -13.799 -15.282 1.00 0.00 C ATOM 44 CD1 ILE A 12 20.264 -13.300 -13.846 1.00 0.00 C ATOM 0 H ILE A 12 19.348 -15.840 -16.555 1.00 0.00 H new ATOM 0 HA ILE A 12 20.535 -13.090 -16.544 1.00 0.00 H new ATOM 0 HB ILE A 12 21.837 -15.715 -15.733 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.757 -15.330 -14.388 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.208 -15.196 -13.415 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.312 -14.183 -14.453 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.324 -13.781 -16.187 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.381 -12.788 -15.050 1.00 0.00 H new ATOM 0 HD11 ILE A 12 19.658 -13.317 -12.940 1.00 0.00 H new ATOM 0 HD12 ILE A 12 21.165 -12.713 -13.669 1.00 0.00 H new ATOM 0 HD13 ILE A 12 19.691 -12.849 -14.657 1.00 0.00 H new ATOM 56 N VAL A 13 21.890 -13.426 -18.619 1.00 0.00 N ATOM 57 CA VAL A 13 22.600 -13.619 -19.913 1.00 0.00 C ATOM 58 C VAL A 13 23.939 -12.890 -19.855 1.00 0.00 C ATOM 59 O VAL A 13 24.108 -11.953 -19.101 1.00 0.00 O ATOM 60 CB VAL A 13 21.753 -13.030 -21.045 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.751 -14.079 -21.529 1.00 0.00 C ATOM 62 CG2 VAL A 13 20.998 -11.801 -20.534 1.00 0.00 C ATOM 0 H VAL A 13 21.839 -12.460 -18.295 1.00 0.00 H new ATOM 0 HA VAL A 13 22.763 -14.682 -20.093 1.00 0.00 H new ATOM 0 HB VAL A 13 22.403 -12.738 -21.870 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.147 -13.661 -22.335 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.288 -14.954 -21.894 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.102 -14.371 -20.703 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.396 -11.383 -21.340 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.348 -12.091 -19.708 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.712 -11.053 -20.189 1.00 0.00 H new ATOM 72 N VAL A 14 24.890 -13.295 -20.645 1.00 0.00 N ATOM 73 CA VAL A 14 26.201 -12.595 -20.619 1.00 0.00 C ATOM 74 C VAL A 14 26.414 -11.899 -21.961 1.00 0.00 C ATOM 75 O VAL A 14 26.180 -12.465 -23.012 1.00 0.00 O ATOM 76 CB VAL A 14 27.328 -13.597 -20.358 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.487 -14.515 -21.572 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.636 -12.842 -20.114 1.00 0.00 C ATOM 0 H VAL A 14 24.819 -14.072 -21.301 1.00 0.00 H new ATOM 0 HA VAL A 14 26.208 -11.856 -19.818 1.00 0.00 H new ATOM 0 HB VAL A 14 27.085 -14.196 -19.480 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.290 -15.229 -21.386 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.555 -15.054 -21.745 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.729 -13.917 -22.451 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.439 -13.556 -19.928 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.879 -12.243 -20.991 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.523 -12.189 -19.248 1.00 0.00 H new ATOM 88 N ALA A 15 26.846 -10.670 -21.930 1.00 0.00 N ATOM 89 CA ALA A 15 27.064 -9.925 -23.197 1.00 0.00 C ATOM 90 C ALA A 15 28.021 -10.703 -24.098 1.00 0.00 C ATOM 91 O ALA A 15 29.182 -10.878 -23.787 1.00 0.00 O ATOM 92 CB ALA A 15 27.663 -8.553 -22.883 1.00 0.00 C ATOM 0 H ALA A 15 27.058 -10.149 -21.079 1.00 0.00 H new ATOM 0 HA ALA A 15 26.110 -9.800 -23.709 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.824 -8.005 -23.811 1.00 0.00 H new ATOM 0 HB2 ALA A 15 26.978 -7.994 -22.246 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.615 -8.681 -22.368 1.00 0.00 H new ATOM 98 N LEU A 16 27.546 -11.149 -25.227 1.00 0.00 N ATOM 99 CA LEU A 16 28.433 -11.891 -26.163 1.00 0.00 C ATOM 100 C LEU A 16 29.113 -10.871 -27.071 1.00 0.00 C ATOM 101 O LEU A 16 30.214 -11.070 -27.542 1.00 0.00 O ATOM 102 CB LEU A 16 27.603 -12.861 -27.007 1.00 0.00 C ATOM 103 CG LEU A 16 26.753 -13.740 -26.089 1.00 0.00 C ATOM 104 CD1 LEU A 16 25.754 -14.538 -26.930 1.00 0.00 C ATOM 105 CD2 LEU A 16 27.660 -14.706 -25.324 1.00 0.00 C ATOM 0 H LEU A 16 26.583 -11.032 -25.541 1.00 0.00 H new ATOM 0 HA LEU A 16 29.176 -12.463 -25.608 1.00 0.00 H new ATOM 0 HB2 LEU A 16 26.962 -12.306 -27.692 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.259 -13.482 -27.617 1.00 0.00 H new ATOM 0 HG LEU A 16 26.213 -13.111 -25.381 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.147 -15.165 -26.277 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.108 -13.851 -27.476 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.295 -15.167 -27.637 1.00 0.00 H new ATOM 0 HD21 LEU A 16 27.054 -15.333 -24.669 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.200 -15.335 -26.031 1.00 0.00 H new ATOM 0 HD23 LEU A 16 28.373 -14.139 -24.725 1.00 0.00 H new ATOM 117 N TYR A 17 28.453 -9.772 -27.307 1.00 0.00 N ATOM 118 CA TYR A 17 29.034 -8.712 -28.172 1.00 0.00 C ATOM 119 C TYR A 17 28.784 -7.349 -27.523 1.00 0.00 C ATOM 120 O TYR A 17 27.723 -7.096 -26.989 1.00 0.00 O ATOM 121 CB TYR A 17 28.356 -8.749 -29.545 1.00 0.00 C ATOM 122 CG TYR A 17 29.042 -9.769 -30.422 1.00 0.00 C ATOM 123 CD1 TYR A 17 28.904 -11.135 -30.149 1.00 0.00 C ATOM 124 CD2 TYR A 17 29.817 -9.347 -31.510 1.00 0.00 C ATOM 125 CE1 TYR A 17 29.540 -12.080 -30.963 1.00 0.00 C ATOM 126 CE2 TYR A 17 30.453 -10.292 -32.324 1.00 0.00 C ATOM 127 CZ TYR A 17 30.314 -11.658 -32.051 1.00 0.00 C ATOM 128 OH TYR A 17 30.940 -12.589 -32.855 1.00 0.00 O ATOM 0 H TYR A 17 27.527 -9.562 -26.933 1.00 0.00 H new ATOM 0 HA TYR A 17 30.105 -8.877 -28.290 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.301 -9.001 -29.434 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.402 -7.765 -30.011 1.00 0.00 H new ATOM 0 HD1 TYR A 17 28.307 -11.460 -29.310 1.00 0.00 H new ATOM 0 HD2 TYR A 17 29.924 -8.293 -31.721 1.00 0.00 H new ATOM 0 HE1 TYR A 17 29.434 -13.134 -30.752 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.051 -9.967 -33.163 1.00 0.00 H new ATOM 0 HH TYR A 17 31.435 -12.128 -33.564 1.00 0.00 H new ATOM 138 N PRO A 18 29.776 -6.452 -27.580 1.00 0.00 N ATOM 139 CA PRO A 18 29.665 -5.102 -27.007 1.00 0.00 C ATOM 140 C PRO A 18 28.530 -4.303 -27.658 1.00 0.00 C ATOM 141 O PRO A 18 28.292 -4.396 -28.846 1.00 0.00 O ATOM 142 CB PRO A 18 31.027 -4.475 -27.323 1.00 0.00 C ATOM 143 CG PRO A 18 31.520 -5.259 -28.491 1.00 0.00 C ATOM 144 CD PRO A 18 31.085 -6.667 -28.209 1.00 0.00 C ATOM 0 HA PRO A 18 29.431 -5.115 -25.942 1.00 0.00 H new ATOM 0 HB2 PRO A 18 30.933 -3.416 -27.564 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.708 -4.550 -26.475 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.094 -4.891 -29.424 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.604 -5.190 -28.587 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.009 -7.262 -29.119 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.778 -7.185 -27.546 1.00 0.00 H new ATOM 152 N TYR A 19 27.818 -3.533 -26.881 1.00 0.00 N ATOM 153 CA TYR A 19 26.686 -2.741 -27.440 1.00 0.00 C ATOM 154 C TYR A 19 26.750 -1.305 -26.922 1.00 0.00 C ATOM 155 O TYR A 19 26.772 -1.070 -25.730 1.00 0.00 O ATOM 156 CB TYR A 19 25.368 -3.373 -26.987 1.00 0.00 C ATOM 157 CG TYR A 19 24.221 -2.790 -27.781 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.600 -1.609 -27.355 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.776 -3.435 -28.941 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.534 -1.073 -28.091 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.711 -2.899 -29.675 1.00 0.00 C ATOM 162 CZ TYR A 19 22.090 -1.720 -29.250 1.00 0.00 C ATOM 163 OH TYR A 19 21.040 -1.193 -29.974 1.00 0.00 O ATOM 0 H TYR A 19 27.972 -3.418 -25.879 1.00 0.00 H new ATOM 0 HA TYR A 19 26.750 -2.736 -28.528 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.406 -4.454 -27.125 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.214 -3.193 -25.923 1.00 0.00 H new ATOM 0 HD1 TYR A 19 23.942 -1.111 -26.460 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.254 -4.346 -29.270 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.056 -0.162 -27.764 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.369 -3.396 -30.570 1.00 0.00 H new ATOM 0 HH TYR A 19 20.858 -1.764 -30.750 1.00 0.00 H new ATOM 173 N ASP A 20 26.768 -0.340 -27.797 1.00 0.00 N ATOM 174 CA ASP A 20 26.815 1.072 -27.329 1.00 0.00 C ATOM 175 C ASP A 20 25.420 1.683 -27.465 1.00 0.00 C ATOM 176 O ASP A 20 24.932 1.900 -28.555 1.00 0.00 O ATOM 177 CB ASP A 20 27.817 1.869 -28.167 1.00 0.00 C ATOM 178 CG ASP A 20 27.771 1.383 -29.617 1.00 0.00 C ATOM 179 OD1 ASP A 20 28.485 0.445 -29.929 1.00 0.00 O ATOM 180 OD2 ASP A 20 27.022 1.958 -30.389 1.00 0.00 O ATOM 0 H ASP A 20 26.752 -0.466 -28.809 1.00 0.00 H new ATOM 0 HA ASP A 20 27.132 1.103 -26.287 1.00 0.00 H new ATOM 0 HB2 ASP A 20 27.581 2.932 -28.121 1.00 0.00 H new ATOM 0 HB3 ASP A 20 28.822 1.748 -27.763 1.00 0.00 H new ATOM 185 N GLY A 21 24.777 1.942 -26.358 1.00 0.00 N ATOM 186 CA GLY A 21 23.402 2.526 -26.386 1.00 0.00 C ATOM 187 C GLY A 21 23.186 3.336 -27.666 1.00 0.00 C ATOM 188 O GLY A 21 23.452 4.520 -27.715 1.00 0.00 O ATOM 0 H GLY A 21 25.150 1.772 -25.424 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.661 1.729 -26.325 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.255 3.165 -25.516 1.00 0.00 H new ATOM 192 N ILE A 22 22.688 2.709 -28.699 1.00 0.00 N ATOM 193 CA ILE A 22 22.440 3.450 -29.966 1.00 0.00 C ATOM 194 C ILE A 22 21.005 3.976 -29.948 1.00 0.00 C ATOM 195 O ILE A 22 20.627 4.827 -30.729 1.00 0.00 O ATOM 196 CB ILE A 22 22.625 2.511 -31.160 1.00 0.00 C ATOM 197 CG1 ILE A 22 24.002 1.847 -31.081 1.00 0.00 C ATOM 198 CG2 ILE A 22 22.518 3.311 -32.460 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.283 1.102 -32.387 1.00 0.00 C ATOM 0 H ILE A 22 22.444 1.719 -28.718 1.00 0.00 H new ATOM 0 HA ILE A 22 23.143 4.278 -30.055 1.00 0.00 H new ATOM 0 HB ILE A 22 21.851 1.744 -31.141 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.771 2.599 -30.906 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.036 1.155 -30.240 1.00 0.00 H new ATOM 0 HG21 ILE A 22 22.650 2.642 -33.311 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.537 3.782 -32.517 1.00 0.00 H new ATOM 0 HG23 ILE A 22 23.291 4.079 -32.479 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.263 0.629 -32.332 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.520 0.339 -32.542 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.266 1.806 -33.219 1.00 0.00 H new ATOM 211 N HIS A 23 20.207 3.471 -29.048 1.00 0.00 N ATOM 212 CA HIS A 23 18.794 3.925 -28.948 1.00 0.00 C ATOM 213 C HIS A 23 18.597 4.641 -27.611 1.00 0.00 C ATOM 214 O HIS A 23 19.493 4.698 -26.793 1.00 0.00 O ATOM 215 CB HIS A 23 17.864 2.712 -29.017 1.00 0.00 C ATOM 216 CG HIS A 23 17.045 2.779 -30.276 1.00 0.00 C ATOM 217 ND1 HIS A 23 15.855 2.084 -30.422 1.00 0.00 N ATOM 218 CD2 HIS A 23 17.231 3.455 -31.456 1.00 0.00 C ATOM 219 CE1 HIS A 23 15.375 2.355 -31.650 1.00 0.00 C ATOM 220 NE2 HIS A 23 16.175 3.186 -32.323 1.00 0.00 N ATOM 0 H HIS A 23 20.477 2.757 -28.372 1.00 0.00 H new ATOM 0 HA HIS A 23 18.564 4.604 -29.769 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.448 1.792 -28.999 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.210 2.692 -28.145 1.00 0.00 H new ATOM 0 HD2 HIS A 23 18.070 4.098 -31.678 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.455 1.950 -32.043 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.041 3.546 -33.268 1.00 0.00 H new ATOM 228 N PRO A 24 17.399 5.196 -27.386 1.00 0.00 N ATOM 229 CA PRO A 24 17.084 5.908 -26.144 1.00 0.00 C ATOM 230 C PRO A 24 16.949 4.951 -24.955 1.00 0.00 C ATOM 231 O PRO A 24 17.245 5.301 -23.829 1.00 0.00 O ATOM 232 CB PRO A 24 15.740 6.571 -26.440 1.00 0.00 C ATOM 233 CG PRO A 24 15.126 5.723 -27.505 1.00 0.00 C ATOM 234 CD PRO A 24 16.263 5.176 -28.323 1.00 0.00 C ATOM 0 HA PRO A 24 17.869 6.613 -25.868 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.111 6.606 -25.550 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.871 7.599 -26.779 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.539 4.915 -27.068 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.449 6.310 -28.126 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.053 4.167 -28.678 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.457 5.790 -29.203 1.00 0.00 H new ATOM 242 N ASP A 25 16.497 3.753 -25.192 1.00 0.00 N ATOM 243 CA ASP A 25 16.334 2.782 -24.071 1.00 0.00 C ATOM 244 C ASP A 25 17.341 1.635 -24.213 1.00 0.00 C ATOM 245 O ASP A 25 17.490 0.820 -23.322 1.00 0.00 O ATOM 246 CB ASP A 25 14.915 2.212 -24.101 1.00 0.00 C ATOM 247 CG ASP A 25 14.017 3.036 -23.175 1.00 0.00 C ATOM 248 OD1 ASP A 25 14.144 4.249 -23.184 1.00 0.00 O ATOM 249 OD2 ASP A 25 13.219 2.439 -22.471 1.00 0.00 O ATOM 0 H ASP A 25 16.233 3.402 -26.113 1.00 0.00 H new ATOM 0 HA ASP A 25 16.511 3.296 -23.126 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.524 2.233 -25.118 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.923 1.169 -23.784 1.00 0.00 H new ATOM 254 N ASP A 26 18.028 1.553 -25.319 1.00 0.00 N ATOM 255 CA ASP A 26 19.010 0.448 -25.502 1.00 0.00 C ATOM 256 C ASP A 26 20.079 0.522 -24.411 1.00 0.00 C ATOM 257 O ASP A 26 20.751 1.522 -24.260 1.00 0.00 O ATOM 258 CB ASP A 26 19.681 0.585 -26.869 1.00 0.00 C ATOM 259 CG ASP A 26 19.221 -0.555 -27.781 1.00 0.00 C ATOM 260 OD1 ASP A 26 19.706 -1.661 -27.602 1.00 0.00 O ATOM 261 OD2 ASP A 26 18.393 -0.303 -28.640 1.00 0.00 O ATOM 0 H ASP A 26 17.952 2.202 -26.102 1.00 0.00 H new ATOM 0 HA ASP A 26 18.490 -0.508 -25.439 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.428 1.547 -27.315 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.765 0.561 -26.758 1.00 0.00 H new ATOM 266 N LEU A 27 20.257 -0.528 -23.656 1.00 0.00 N ATOM 267 CA LEU A 27 21.298 -0.505 -22.591 1.00 0.00 C ATOM 268 C LEU A 27 22.624 -0.965 -23.203 1.00 0.00 C ATOM 269 O LEU A 27 22.673 -1.921 -23.950 1.00 0.00 O ATOM 270 CB LEU A 27 20.871 -1.434 -21.445 1.00 0.00 C ATOM 271 CG LEU A 27 22.083 -1.861 -20.611 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.848 -2.965 -21.345 1.00 0.00 C ATOM 273 CD2 LEU A 27 23.002 -0.660 -20.377 1.00 0.00 C ATOM 0 H LEU A 27 19.729 -1.397 -23.731 1.00 0.00 H new ATOM 0 HA LEU A 27 21.419 0.501 -22.188 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.147 -0.925 -20.809 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.374 -2.315 -21.851 1.00 0.00 H new ATOM 0 HG LEU A 27 21.741 -2.240 -19.648 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.710 -3.268 -20.750 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.193 -3.823 -21.497 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.187 -2.592 -22.311 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.862 -0.970 -19.783 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.344 -0.271 -21.336 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.455 0.118 -19.845 1.00 0.00 H new ATOM 285 N SER A 28 23.695 -0.283 -22.909 1.00 0.00 N ATOM 286 CA SER A 28 25.013 -0.666 -23.491 1.00 0.00 C ATOM 287 C SER A 28 25.661 -1.779 -22.664 1.00 0.00 C ATOM 288 O SER A 28 25.691 -1.730 -21.450 1.00 0.00 O ATOM 289 CB SER A 28 25.933 0.556 -23.494 1.00 0.00 C ATOM 290 OG SER A 28 26.604 0.646 -22.246 1.00 0.00 O ATOM 0 H SER A 28 23.715 0.526 -22.288 1.00 0.00 H new ATOM 0 HA SER A 28 24.859 -1.026 -24.508 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.658 0.477 -24.304 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.353 1.461 -23.673 1.00 0.00 H new ATOM 0 HG SER A 28 26.178 0.043 -21.601 1.00 0.00 H new ATOM 296 N PHE A 29 26.209 -2.767 -23.317 1.00 0.00 N ATOM 297 CA PHE A 29 26.885 -3.867 -22.575 1.00 0.00 C ATOM 298 C PHE A 29 28.169 -4.239 -23.315 1.00 0.00 C ATOM 299 O PHE A 29 28.249 -4.139 -24.523 1.00 0.00 O ATOM 300 CB PHE A 29 25.964 -5.089 -22.467 1.00 0.00 C ATOM 301 CG PHE A 29 25.270 -5.363 -23.781 1.00 0.00 C ATOM 302 CD1 PHE A 29 24.033 -4.769 -24.059 1.00 0.00 C ATOM 303 CD2 PHE A 29 25.850 -6.236 -24.710 1.00 0.00 C ATOM 304 CE1 PHE A 29 23.379 -5.043 -25.266 1.00 0.00 C ATOM 305 CE2 PHE A 29 25.193 -6.514 -25.915 1.00 0.00 C ATOM 306 CZ PHE A 29 23.958 -5.917 -26.194 1.00 0.00 C ATOM 0 H PHE A 29 26.217 -2.859 -24.333 1.00 0.00 H new ATOM 0 HA PHE A 29 27.122 -3.533 -21.565 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.546 -5.962 -22.170 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.221 -4.921 -21.687 1.00 0.00 H new ATOM 0 HD1 PHE A 29 23.583 -4.099 -23.342 1.00 0.00 H new ATOM 0 HD2 PHE A 29 26.804 -6.695 -24.497 1.00 0.00 H new ATOM 0 HE1 PHE A 29 22.427 -4.580 -25.481 1.00 0.00 H new ATOM 0 HE2 PHE A 29 25.639 -7.190 -26.630 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.452 -6.130 -27.124 1.00 0.00 H new ATOM 316 N LYS A 30 29.181 -4.656 -22.606 1.00 0.00 N ATOM 317 CA LYS A 30 30.458 -5.016 -23.283 1.00 0.00 C ATOM 318 C LYS A 30 30.648 -6.528 -23.243 1.00 0.00 C ATOM 319 O LYS A 30 30.361 -7.167 -22.251 1.00 0.00 O ATOM 320 CB LYS A 30 31.622 -4.343 -22.554 1.00 0.00 C ATOM 321 CG LYS A 30 32.699 -3.949 -23.567 1.00 0.00 C ATOM 322 CD LYS A 30 34.006 -3.645 -22.832 1.00 0.00 C ATOM 323 CE LYS A 30 34.090 -2.144 -22.542 1.00 0.00 C ATOM 324 NZ LYS A 30 35.505 -1.692 -22.672 1.00 0.00 N ATOM 0 H LYS A 30 29.179 -4.763 -21.592 1.00 0.00 H new ATOM 0 HA LYS A 30 30.427 -4.680 -24.320 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.269 -3.460 -22.020 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.039 -5.021 -21.809 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.852 -4.756 -24.283 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.377 -3.076 -24.134 1.00 0.00 H new ATOM 0 HD2 LYS A 30 34.052 -4.209 -21.901 1.00 0.00 H new ATOM 0 HD3 LYS A 30 34.857 -3.958 -23.437 1.00 0.00 H new ATOM 0 HE2 LYS A 30 33.455 -1.592 -23.236 1.00 0.00 H new ATOM 0 HE3 LYS A 30 33.721 -1.935 -21.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 35.563 -0.672 -22.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 36.099 -2.210 -21.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 35.841 -1.878 -23.638 1.00 0.00 H new ATOM 338 N LYS A 31 31.137 -7.112 -24.305 1.00 0.00 N ATOM 339 CA LYS A 31 31.347 -8.585 -24.292 1.00 0.00 C ATOM 340 C LYS A 31 31.955 -8.970 -22.944 1.00 0.00 C ATOM 341 O LYS A 31 32.631 -8.183 -22.311 1.00 0.00 O ATOM 342 CB LYS A 31 32.297 -8.996 -25.415 1.00 0.00 C ATOM 343 CG LYS A 31 33.557 -8.130 -25.363 1.00 0.00 C ATOM 344 CD LYS A 31 34.795 -9.027 -25.423 1.00 0.00 C ATOM 345 CE LYS A 31 35.030 -9.474 -26.867 1.00 0.00 C ATOM 346 NZ LYS A 31 36.492 -9.471 -27.157 1.00 0.00 N ATOM 0 H LYS A 31 31.397 -6.638 -25.170 1.00 0.00 H new ATOM 0 HA LYS A 31 30.394 -9.093 -24.442 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.562 -10.048 -25.314 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.805 -8.883 -26.381 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.563 -7.427 -26.196 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.567 -7.539 -24.447 1.00 0.00 H new ATOM 0 HD2 LYS A 31 35.666 -8.488 -25.051 1.00 0.00 H new ATOM 0 HD3 LYS A 31 34.659 -9.896 -24.779 1.00 0.00 H new ATOM 0 HE2 LYS A 31 34.620 -10.472 -27.021 1.00 0.00 H new ATOM 0 HE3 LYS A 31 34.511 -8.806 -27.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 36.652 -9.775 -28.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 36.870 -8.511 -27.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 36.976 -10.125 -26.509 1.00 0.00 H new ATOM 360 N GLY A 32 31.717 -10.168 -22.493 1.00 0.00 N ATOM 361 CA GLY A 32 32.276 -10.591 -21.178 1.00 0.00 C ATOM 362 C GLY A 32 31.421 -10.012 -20.041 1.00 0.00 C ATOM 363 O GLY A 32 31.491 -10.460 -18.913 1.00 0.00 O ATOM 0 H GLY A 32 31.160 -10.873 -22.976 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.296 -11.679 -21.113 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.306 -10.247 -21.082 1.00 0.00 H new ATOM 367 N GLU A 33 30.615 -9.020 -20.325 1.00 0.00 N ATOM 368 CA GLU A 33 29.762 -8.418 -19.258 1.00 0.00 C ATOM 369 C GLU A 33 28.498 -9.262 -19.069 1.00 0.00 C ATOM 370 O GLU A 33 28.035 -9.919 -19.978 1.00 0.00 O ATOM 371 CB GLU A 33 29.374 -6.991 -19.651 1.00 0.00 C ATOM 372 CG GLU A 33 29.048 -6.187 -18.391 1.00 0.00 C ATOM 373 CD GLU A 33 29.958 -4.959 -18.319 1.00 0.00 C ATOM 374 OE1 GLU A 33 31.058 -5.031 -18.841 1.00 0.00 O ATOM 375 OE2 GLU A 33 29.540 -3.968 -17.743 1.00 0.00 O ATOM 0 H GLU A 33 30.512 -8.602 -21.250 1.00 0.00 H new ATOM 0 HA GLU A 33 30.321 -8.394 -18.323 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.190 -6.518 -20.196 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.512 -7.007 -20.318 1.00 0.00 H new ATOM 0 HG2 GLU A 33 28.003 -5.878 -18.404 1.00 0.00 H new ATOM 0 HG3 GLU A 33 29.186 -6.807 -17.505 1.00 0.00 H new ATOM 382 N LYS A 34 27.946 -9.253 -17.883 1.00 0.00 N ATOM 383 CA LYS A 34 26.718 -10.058 -17.613 1.00 0.00 C ATOM 384 C LYS A 34 25.500 -9.137 -17.529 1.00 0.00 C ATOM 385 O LYS A 34 25.582 -8.013 -17.074 1.00 0.00 O ATOM 386 CB LYS A 34 26.882 -10.803 -16.287 1.00 0.00 C ATOM 387 CG LYS A 34 26.700 -12.304 -16.520 1.00 0.00 C ATOM 388 CD LYS A 34 27.041 -13.065 -15.237 1.00 0.00 C ATOM 389 CE LYS A 34 28.530 -13.417 -15.233 1.00 0.00 C ATOM 390 NZ LYS A 34 29.049 -13.371 -13.837 1.00 0.00 N ATOM 0 H LYS A 34 28.295 -8.720 -17.087 1.00 0.00 H new ATOM 0 HA LYS A 34 26.572 -10.773 -18.423 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.868 -10.606 -15.867 1.00 0.00 H new ATOM 0 HB3 LYS A 34 26.150 -10.445 -15.563 1.00 0.00 H new ATOM 0 HG2 LYS A 34 25.673 -12.515 -16.818 1.00 0.00 H new ATOM 0 HG3 LYS A 34 27.343 -12.637 -17.335 1.00 0.00 H new ATOM 0 HD2 LYS A 34 26.798 -12.457 -14.365 1.00 0.00 H new ATOM 0 HD3 LYS A 34 26.442 -13.973 -15.170 1.00 0.00 H new ATOM 0 HE2 LYS A 34 28.681 -14.410 -15.655 1.00 0.00 H new ATOM 0 HE3 LYS A 34 29.082 -12.717 -15.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 30.061 -13.610 -13.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 28.919 -12.415 -13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 28.530 -14.056 -13.251 1.00 0.00 H new ATOM 404 N MET A 35 24.372 -9.614 -17.973 1.00 0.00 N ATOM 405 CA MET A 35 23.132 -8.792 -17.939 1.00 0.00 C ATOM 406 C MET A 35 21.955 -9.656 -17.495 1.00 0.00 C ATOM 407 O MET A 35 21.941 -10.857 -17.678 1.00 0.00 O ATOM 408 CB MET A 35 22.832 -8.261 -19.338 1.00 0.00 C ATOM 409 CG MET A 35 23.398 -6.847 -19.483 1.00 0.00 C ATOM 410 SD MET A 35 23.225 -6.301 -21.200 1.00 0.00 S ATOM 411 CE MET A 35 23.936 -7.771 -21.982 1.00 0.00 C ATOM 0 H MET A 35 24.255 -10.549 -18.363 1.00 0.00 H new ATOM 0 HA MET A 35 23.276 -7.965 -17.243 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.271 -8.918 -20.089 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.756 -8.252 -19.512 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.871 -6.163 -18.818 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.448 -6.832 -19.189 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.224 -7.535 -23.006 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.815 -8.091 -21.423 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.198 -8.573 -21.988 1.00 0.00 H new ATOM 421 N LYS A 36 20.962 -9.040 -16.925 1.00 0.00 N ATOM 422 CA LYS A 36 19.763 -9.799 -16.475 1.00 0.00 C ATOM 423 C LYS A 36 18.548 -9.253 -17.219 1.00 0.00 C ATOM 424 O LYS A 36 18.376 -8.057 -17.335 1.00 0.00 O ATOM 425 CB LYS A 36 19.570 -9.617 -14.968 1.00 0.00 C ATOM 426 CG LYS A 36 18.610 -10.687 -14.445 1.00 0.00 C ATOM 427 CD LYS A 36 18.850 -10.901 -12.949 1.00 0.00 C ATOM 428 CE LYS A 36 17.943 -9.964 -12.149 1.00 0.00 C ATOM 429 NZ LYS A 36 18.715 -8.758 -11.738 1.00 0.00 N ATOM 0 H LYS A 36 20.928 -8.036 -16.749 1.00 0.00 H new ATOM 0 HA LYS A 36 19.889 -10.861 -16.685 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.529 -9.692 -14.456 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.174 -8.623 -14.758 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.578 -10.381 -14.618 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.761 -11.621 -14.986 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.646 -11.938 -12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.895 -10.708 -12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.083 -9.671 -12.751 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.556 -10.478 -11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.099 -8.120 -11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.522 -9.047 -11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.064 -8.264 -12.584 1.00 0.00 H new ATOM 443 N VAL A 37 17.708 -10.105 -17.736 1.00 0.00 N ATOM 444 CA VAL A 37 16.522 -9.598 -18.481 1.00 0.00 C ATOM 445 C VAL A 37 15.299 -9.569 -17.566 1.00 0.00 C ATOM 446 O VAL A 37 14.876 -10.579 -17.040 1.00 0.00 O ATOM 447 CB VAL A 37 16.242 -10.500 -19.683 1.00 0.00 C ATOM 448 CG1 VAL A 37 15.560 -9.685 -20.781 1.00 0.00 C ATOM 449 CG2 VAL A 37 17.559 -11.071 -20.212 1.00 0.00 C ATOM 0 H VAL A 37 17.789 -11.120 -17.676 1.00 0.00 H new ATOM 0 HA VAL A 37 16.730 -8.586 -18.828 1.00 0.00 H new ATOM 0 HB VAL A 37 15.590 -11.319 -19.380 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.360 -10.327 -21.639 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.621 -9.280 -20.404 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.212 -8.866 -21.085 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.359 -11.714 -21.069 1.00 0.00 H new ATOM 0 HG22 VAL A 37 18.214 -10.254 -20.516 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.045 -11.652 -19.428 1.00 0.00 H new ATOM 459 N LEU A 38 14.730 -8.411 -17.369 1.00 0.00 N ATOM 460 CA LEU A 38 13.536 -8.305 -16.485 1.00 0.00 C ATOM 461 C LEU A 38 12.265 -8.612 -17.282 1.00 0.00 C ATOM 462 O LEU A 38 11.240 -8.943 -16.720 1.00 0.00 O ATOM 463 CB LEU A 38 13.449 -6.887 -15.916 1.00 0.00 C ATOM 464 CG LEU A 38 14.831 -6.451 -15.421 1.00 0.00 C ATOM 465 CD1 LEU A 38 14.860 -4.929 -15.267 1.00 0.00 C ATOM 466 CD2 LEU A 38 15.118 -7.105 -14.069 1.00 0.00 C ATOM 0 H LEU A 38 15.042 -7.533 -17.783 1.00 0.00 H new ATOM 0 HA LEU A 38 13.629 -9.024 -15.671 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.091 -6.198 -16.681 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.731 -6.856 -15.097 1.00 0.00 H new ATOM 0 HG LEU A 38 15.589 -6.758 -16.142 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.843 -4.618 -14.915 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.655 -4.462 -16.230 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.102 -4.622 -14.546 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.102 -6.795 -13.716 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.360 -6.798 -13.348 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.097 -8.189 -14.178 1.00 0.00 H new ATOM 478 N GLU A 39 12.313 -8.507 -18.586 1.00 0.00 N ATOM 479 CA GLU A 39 11.092 -8.796 -19.389 1.00 0.00 C ATOM 480 C GLU A 39 11.492 -9.259 -20.789 1.00 0.00 C ATOM 481 O GLU A 39 12.424 -8.749 -21.380 1.00 0.00 O ATOM 482 CB GLU A 39 10.241 -7.529 -19.496 1.00 0.00 C ATOM 483 CG GLU A 39 8.808 -7.840 -19.062 1.00 0.00 C ATOM 484 CD GLU A 39 8.013 -8.361 -20.262 1.00 0.00 C ATOM 485 OE1 GLU A 39 8.493 -8.215 -21.374 1.00 0.00 O ATOM 486 OE2 GLU A 39 6.939 -8.898 -20.048 1.00 0.00 O ATOM 0 H GLU A 39 13.137 -8.236 -19.123 1.00 0.00 H new ATOM 0 HA GLU A 39 10.517 -9.583 -18.900 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.660 -6.742 -18.868 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.250 -7.158 -20.521 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.811 -8.583 -18.264 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.336 -6.943 -18.661 1.00 0.00 H new ATOM 493 N GLU A 40 10.788 -10.217 -21.327 1.00 0.00 N ATOM 494 CA GLU A 40 11.119 -10.707 -22.692 1.00 0.00 C ATOM 495 C GLU A 40 10.022 -10.260 -23.660 1.00 0.00 C ATOM 496 O GLU A 40 8.849 -10.327 -23.355 1.00 0.00 O ATOM 497 CB GLU A 40 11.206 -12.235 -22.683 1.00 0.00 C ATOM 498 CG GLU A 40 11.119 -12.763 -24.117 1.00 0.00 C ATOM 499 CD GLU A 40 12.111 -13.914 -24.298 1.00 0.00 C ATOM 500 OE1 GLU A 40 12.649 -14.368 -23.301 1.00 0.00 O ATOM 501 OE2 GLU A 40 12.317 -14.321 -25.429 1.00 0.00 O ATOM 0 H GLU A 40 9.998 -10.681 -20.879 1.00 0.00 H new ATOM 0 HA GLU A 40 12.078 -10.297 -23.008 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.142 -12.553 -22.224 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.398 -12.652 -22.082 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.106 -13.105 -24.329 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.340 -11.964 -24.824 1.00 0.00 H new ATOM 508 N HIS A 41 10.392 -9.805 -24.823 1.00 0.00 N ATOM 509 CA HIS A 41 9.370 -9.355 -25.805 1.00 0.00 C ATOM 510 C HIS A 41 9.546 -10.135 -27.106 1.00 0.00 C ATOM 511 O HIS A 41 9.362 -9.612 -28.187 1.00 0.00 O ATOM 512 CB HIS A 41 9.552 -7.864 -26.079 1.00 0.00 C ATOM 513 CG HIS A 41 9.357 -7.092 -24.803 1.00 0.00 C ATOM 514 ND1 HIS A 41 8.170 -6.439 -24.508 1.00 0.00 N ATOM 515 CD2 HIS A 41 10.189 -6.859 -23.736 1.00 0.00 C ATOM 516 CE1 HIS A 41 8.320 -5.851 -23.307 1.00 0.00 C ATOM 517 NE2 HIS A 41 9.532 -6.075 -22.793 1.00 0.00 N ATOM 0 H HIS A 41 11.360 -9.725 -25.136 1.00 0.00 H new ATOM 0 HA HIS A 41 8.372 -9.532 -25.403 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.547 -7.676 -26.482 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.836 -7.531 -26.831 1.00 0.00 H new ATOM 0 HD1 HIS A 41 7.336 -6.410 -25.094 1.00 0.00 H new ATOM 0 HD2 HIS A 41 11.200 -7.228 -23.643 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.553 -5.269 -22.818 1.00 0.00 H new ATOM 525 N GLY A 42 9.901 -11.387 -27.011 1.00 0.00 N ATOM 526 CA GLY A 42 10.090 -12.201 -28.242 1.00 0.00 C ATOM 527 C GLY A 42 11.558 -12.149 -28.671 1.00 0.00 C ATOM 528 O GLY A 42 12.407 -12.797 -28.094 1.00 0.00 O ATOM 0 H GLY A 42 10.068 -11.880 -26.134 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.791 -13.233 -28.057 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.453 -11.823 -29.042 1.00 0.00 H new ATOM 532 N GLU A 43 11.858 -11.392 -29.690 1.00 0.00 N ATOM 533 CA GLU A 43 13.267 -11.310 -30.168 1.00 0.00 C ATOM 534 C GLU A 43 14.008 -10.167 -29.468 1.00 0.00 C ATOM 535 O GLU A 43 15.207 -10.027 -29.606 1.00 0.00 O ATOM 536 CB GLU A 43 13.275 -11.067 -31.678 1.00 0.00 C ATOM 537 CG GLU A 43 12.779 -12.321 -32.401 1.00 0.00 C ATOM 538 CD GLU A 43 12.367 -11.958 -33.829 1.00 0.00 C ATOM 539 OE1 GLU A 43 13.079 -11.188 -34.453 1.00 0.00 O ATOM 540 OE2 GLU A 43 11.346 -12.456 -34.275 1.00 0.00 O ATOM 0 H GLU A 43 11.189 -10.827 -30.212 1.00 0.00 H new ATOM 0 HA GLU A 43 13.771 -12.248 -29.937 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.638 -10.217 -31.923 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.282 -10.817 -32.011 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.563 -13.078 -32.419 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.933 -12.752 -31.865 1.00 0.00 H new ATOM 547 N TRP A 44 13.319 -9.340 -28.727 1.00 0.00 N ATOM 548 CA TRP A 44 14.025 -8.214 -28.047 1.00 0.00 C ATOM 549 C TRP A 44 13.617 -8.141 -26.571 1.00 0.00 C ATOM 550 O TRP A 44 12.453 -8.050 -26.243 1.00 0.00 O ATOM 551 CB TRP A 44 13.664 -6.898 -28.738 1.00 0.00 C ATOM 552 CG TRP A 44 14.529 -6.717 -29.944 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.439 -7.445 -31.081 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.610 -5.762 -30.154 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.395 -6.999 -31.975 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.142 -5.962 -31.451 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.174 -4.752 -29.355 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.197 -5.189 -31.935 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.236 -3.971 -29.840 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.746 -4.189 -31.128 1.00 0.00 C ATOM 0 H TRP A 44 12.313 -9.393 -28.564 1.00 0.00 H new ATOM 0 HA TRP A 44 15.100 -8.383 -28.108 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.613 -6.903 -29.028 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.801 -6.064 -28.050 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.735 -8.244 -31.261 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.532 -7.388 -32.908 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.788 -4.575 -28.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 17.587 -5.362 -32.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.662 -3.198 -29.217 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.562 -3.585 -31.496 1.00 0.00 H new ATOM 571 N TRP A 45 14.569 -8.174 -25.679 1.00 0.00 N ATOM 572 CA TRP A 45 14.228 -8.096 -24.227 1.00 0.00 C ATOM 573 C TRP A 45 14.980 -6.933 -23.584 1.00 0.00 C ATOM 574 O TRP A 45 15.889 -6.373 -24.161 1.00 0.00 O ATOM 575 CB TRP A 45 14.631 -9.391 -23.521 1.00 0.00 C ATOM 576 CG TRP A 45 14.789 -10.495 -24.514 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.890 -10.822 -25.470 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.899 -11.425 -24.654 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.378 -11.902 -26.186 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.616 -12.308 -25.722 1.00 0.00 C ATOM 581 CE3 TRP A 45 17.113 -11.585 -23.962 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.508 -13.317 -26.090 1.00 0.00 C ATOM 583 CZ3 TRP A 45 18.013 -12.597 -24.331 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.712 -13.461 -25.391 1.00 0.00 C ATOM 0 H TRP A 45 15.564 -8.251 -25.890 1.00 0.00 H new ATOM 0 HA TRP A 45 13.153 -7.946 -24.129 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.566 -9.243 -22.980 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.875 -9.661 -22.783 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.948 -10.324 -25.646 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.884 -12.344 -26.961 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.354 -10.925 -23.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.271 -13.981 -26.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.943 -12.710 -23.794 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.409 -14.238 -25.669 1.00 0.00 H new ATOM 595 N LYS A 46 14.619 -6.580 -22.383 1.00 0.00 N ATOM 596 CA LYS A 46 15.324 -5.471 -21.687 1.00 0.00 C ATOM 597 C LYS A 46 16.116 -6.065 -20.522 1.00 0.00 C ATOM 598 O LYS A 46 15.594 -6.824 -19.729 1.00 0.00 O ATOM 599 CB LYS A 46 14.297 -4.453 -21.177 1.00 0.00 C ATOM 600 CG LYS A 46 14.612 -4.065 -19.728 1.00 0.00 C ATOM 601 CD LYS A 46 13.937 -2.731 -19.398 1.00 0.00 C ATOM 602 CE LYS A 46 14.871 -1.581 -19.778 1.00 0.00 C ATOM 603 NZ LYS A 46 14.133 -0.289 -19.678 1.00 0.00 N ATOM 0 H LYS A 46 13.864 -7.014 -21.852 1.00 0.00 H new ATOM 0 HA LYS A 46 16.004 -4.960 -22.368 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.309 -3.565 -21.810 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.294 -4.875 -21.238 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.260 -4.841 -19.048 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.690 -3.984 -19.588 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.995 -2.643 -19.940 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.699 -2.685 -18.335 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.738 -1.569 -19.118 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.245 -1.721 -20.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.767 0.494 -19.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.319 -0.303 -20.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.797 -0.155 -18.703 1.00 0.00 H new ATOM 617 N ALA A 47 17.373 -5.745 -20.421 1.00 0.00 N ATOM 618 CA ALA A 47 18.196 -6.315 -19.317 1.00 0.00 C ATOM 619 C ALA A 47 18.857 -5.198 -18.509 1.00 0.00 C ATOM 620 O ALA A 47 18.582 -4.029 -18.694 1.00 0.00 O ATOM 621 CB ALA A 47 19.282 -7.214 -19.912 1.00 0.00 C ATOM 0 H ALA A 47 17.867 -5.115 -21.053 1.00 0.00 H new ATOM 0 HA ALA A 47 17.548 -6.892 -18.657 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.887 -7.634 -19.109 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.817 -8.022 -20.476 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.917 -6.627 -20.576 1.00 0.00 H new ATOM 627 N LYS A 48 19.731 -5.563 -17.609 1.00 0.00 N ATOM 628 CA LYS A 48 20.427 -4.546 -16.773 1.00 0.00 C ATOM 629 C LYS A 48 21.898 -4.939 -16.635 1.00 0.00 C ATOM 630 O LYS A 48 22.236 -6.107 -16.619 1.00 0.00 O ATOM 631 CB LYS A 48 19.782 -4.499 -15.386 1.00 0.00 C ATOM 632 CG LYS A 48 19.240 -3.094 -15.121 1.00 0.00 C ATOM 633 CD LYS A 48 19.315 -2.792 -13.623 1.00 0.00 C ATOM 634 CE LYS A 48 17.901 -2.749 -13.040 1.00 0.00 C ATOM 635 NZ LYS A 48 17.952 -2.209 -11.652 1.00 0.00 N ATOM 0 H LYS A 48 19.993 -6.530 -17.417 1.00 0.00 H new ATOM 0 HA LYS A 48 20.348 -3.565 -17.242 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.975 -5.229 -15.324 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.514 -4.767 -14.624 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.818 -2.358 -15.680 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.209 -3.019 -15.467 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.906 -3.555 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.817 -1.839 -13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.259 -2.125 -13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.467 -3.749 -13.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.991 -2.180 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.551 -2.822 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.350 -1.248 -11.668 1.00 0.00 H new ATOM 649 N SER A 49 22.781 -3.981 -16.542 1.00 0.00 N ATOM 650 CA SER A 49 24.228 -4.318 -16.415 1.00 0.00 C ATOM 651 C SER A 49 24.583 -4.495 -14.938 1.00 0.00 C ATOM 652 O SER A 49 24.352 -3.620 -14.128 1.00 0.00 O ATOM 653 CB SER A 49 25.068 -3.187 -17.010 1.00 0.00 C ATOM 654 OG SER A 49 26.403 -3.634 -17.193 1.00 0.00 O ATOM 0 H SER A 49 22.564 -2.984 -16.548 1.00 0.00 H new ATOM 0 HA SER A 49 24.434 -5.245 -16.951 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.646 -2.869 -17.963 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.051 -2.320 -16.349 1.00 0.00 H new ATOM 0 HG SER A 49 26.900 -2.973 -17.718 1.00 0.00 H new ATOM 660 N LEU A 50 25.141 -5.617 -14.574 1.00 0.00 N ATOM 661 CA LEU A 50 25.498 -5.829 -13.142 1.00 0.00 C ATOM 662 C LEU A 50 26.674 -4.920 -12.770 1.00 0.00 C ATOM 663 O LEU A 50 26.993 -4.743 -11.612 1.00 0.00 O ATOM 664 CB LEU A 50 25.892 -7.292 -12.925 1.00 0.00 C ATOM 665 CG LEU A 50 25.300 -7.788 -11.605 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.584 -9.120 -11.834 1.00 0.00 C ATOM 667 CD2 LEU A 50 26.424 -7.983 -10.584 1.00 0.00 C ATOM 0 H LEU A 50 25.364 -6.391 -15.200 1.00 0.00 H new ATOM 0 HA LEU A 50 24.641 -5.588 -12.513 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.530 -7.904 -13.751 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.978 -7.389 -12.908 1.00 0.00 H new ATOM 0 HG LEU A 50 24.588 -7.054 -11.228 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.162 -9.473 -10.893 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.784 -8.983 -12.561 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.295 -9.855 -12.211 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.003 -8.337 -9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.135 -8.717 -10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 50 26.935 -7.034 -10.419 1.00 0.00 H new ATOM 679 N LEU A 51 27.320 -4.349 -13.749 1.00 0.00 N ATOM 680 CA LEU A 51 28.479 -3.452 -13.465 1.00 0.00 C ATOM 681 C LEU A 51 27.978 -2.065 -13.068 1.00 0.00 C ATOM 682 O LEU A 51 28.288 -1.561 -12.007 1.00 0.00 O ATOM 683 CB LEU A 51 29.347 -3.337 -14.720 1.00 0.00 C ATOM 684 CG LEU A 51 30.640 -2.594 -14.378 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.538 -3.496 -13.530 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.369 -2.220 -15.671 1.00 0.00 C ATOM 0 H LEU A 51 27.095 -4.465 -14.737 1.00 0.00 H new ATOM 0 HA LEU A 51 29.065 -3.869 -12.646 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.577 -4.329 -15.109 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.805 -2.806 -15.503 1.00 0.00 H new ATOM 0 HG LEU A 51 30.402 -1.689 -13.819 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.459 -2.967 -13.286 1.00 0.00 H new ATOM 0 HD12 LEU A 51 31.019 -3.764 -12.610 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.776 -4.401 -14.089 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.291 -1.690 -15.429 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.607 -3.125 -16.230 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.730 -1.577 -16.276 1.00 0.00 H new ATOM 698 N THR A 52 27.206 -1.443 -13.912 1.00 0.00 N ATOM 699 CA THR A 52 26.683 -0.084 -13.587 1.00 0.00 C ATOM 700 C THR A 52 25.187 -0.177 -13.286 1.00 0.00 C ATOM 701 O THR A 52 24.526 0.815 -13.055 1.00 0.00 O ATOM 702 CB THR A 52 26.912 0.860 -14.774 1.00 0.00 C ATOM 703 OG1 THR A 52 25.666 1.162 -15.385 1.00 0.00 O ATOM 704 CG2 THR A 52 27.834 0.193 -15.796 1.00 0.00 C ATOM 0 H THR A 52 26.913 -1.816 -14.815 1.00 0.00 H new ATOM 0 HA THR A 52 27.208 0.307 -12.715 1.00 0.00 H new ATOM 0 HB THR A 52 27.377 1.780 -14.418 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.371 0.397 -15.921 1.00 0.00 H new ATOM 0 HG21 THR A 52 27.993 0.868 -16.637 1.00 0.00 H new ATOM 0 HG22 THR A 52 28.791 -0.036 -15.328 1.00 0.00 H new ATOM 0 HG23 THR A 52 27.375 -0.729 -16.153 1.00 0.00 H new ATOM 712 N LYS A 53 24.649 -1.366 -13.281 1.00 0.00 N ATOM 713 CA LYS A 53 23.198 -1.527 -12.988 1.00 0.00 C ATOM 714 C LYS A 53 22.376 -0.728 -13.997 1.00 0.00 C ATOM 715 O LYS A 53 21.255 -0.340 -13.728 1.00 0.00 O ATOM 716 CB LYS A 53 22.904 -1.019 -11.575 1.00 0.00 C ATOM 717 CG LYS A 53 24.076 -1.365 -10.654 1.00 0.00 C ATOM 718 CD LYS A 53 23.539 -1.820 -9.296 1.00 0.00 C ATOM 719 CE LYS A 53 24.643 -2.552 -8.531 1.00 0.00 C ATOM 720 NZ LYS A 53 24.342 -2.521 -7.072 1.00 0.00 N ATOM 0 H LYS A 53 25.153 -2.233 -13.467 1.00 0.00 H new ATOM 0 HA LYS A 53 22.931 -2.581 -13.060 1.00 0.00 H new ATOM 0 HB2 LYS A 53 22.746 0.059 -11.590 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.986 -1.470 -11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 53 24.683 -2.153 -11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 53 24.723 -0.497 -10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 53 23.193 -0.960 -8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 53 22.680 -2.477 -9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 53 24.717 -3.583 -8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.607 -2.082 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.093 -3.019 -6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.293 -1.534 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 23.430 -2.989 -6.896 1.00 0.00 H new ATOM 734 N LYS A 54 22.911 -0.489 -15.161 1.00 0.00 N ATOM 735 CA LYS A 54 22.142 0.272 -16.183 1.00 0.00 C ATOM 736 C LYS A 54 21.125 -0.671 -16.821 1.00 0.00 C ATOM 737 O LYS A 54 21.403 -1.830 -17.046 1.00 0.00 O ATOM 738 CB LYS A 54 23.096 0.804 -17.254 1.00 0.00 C ATOM 739 CG LYS A 54 23.704 2.127 -16.783 1.00 0.00 C ATOM 740 CD LYS A 54 22.866 3.292 -17.315 1.00 0.00 C ATOM 741 CE LYS A 54 23.772 4.497 -17.572 1.00 0.00 C ATOM 742 NZ LYS A 54 24.709 4.185 -18.687 1.00 0.00 N ATOM 0 H LYS A 54 23.844 -0.786 -15.448 1.00 0.00 H new ATOM 0 HA LYS A 54 21.631 1.115 -15.718 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.885 0.077 -17.447 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.561 0.951 -18.192 1.00 0.00 H new ATOM 0 HG2 LYS A 54 23.737 2.157 -15.694 1.00 0.00 H new ATOM 0 HG3 LYS A 54 24.732 2.213 -17.136 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.361 3.000 -18.236 1.00 0.00 H new ATOM 0 HD3 LYS A 54 22.090 3.554 -16.596 1.00 0.00 H new ATOM 0 HE2 LYS A 54 23.170 5.371 -17.822 1.00 0.00 H new ATOM 0 HE3 LYS A 54 24.332 4.743 -16.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 24.960 5.063 -19.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 25.570 3.745 -18.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 24.252 3.529 -19.352 1.00 0.00 H new ATOM 756 N GLU A 55 19.949 -0.193 -17.115 1.00 0.00 N ATOM 757 CA GLU A 55 18.932 -1.085 -17.736 1.00 0.00 C ATOM 758 C GLU A 55 18.498 -0.505 -19.082 1.00 0.00 C ATOM 759 O GLU A 55 18.330 0.689 -19.233 1.00 0.00 O ATOM 760 CB GLU A 55 17.721 -1.211 -16.806 1.00 0.00 C ATOM 761 CG GLU A 55 16.778 -0.023 -17.018 1.00 0.00 C ATOM 762 CD GLU A 55 15.583 -0.146 -16.071 1.00 0.00 C ATOM 763 OE1 GLU A 55 15.069 -1.243 -15.936 1.00 0.00 O ATOM 764 OE2 GLU A 55 15.203 0.862 -15.495 1.00 0.00 O ATOM 0 H GLU A 55 19.650 0.769 -16.954 1.00 0.00 H new ATOM 0 HA GLU A 55 19.363 -2.073 -17.894 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.195 -2.145 -17.004 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.050 -1.245 -15.768 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.307 0.912 -16.834 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.435 0.003 -18.052 1.00 0.00 H new ATOM 771 N GLY A 56 18.319 -1.345 -20.062 1.00 0.00 N ATOM 772 CA GLY A 56 17.902 -0.850 -21.402 1.00 0.00 C ATOM 773 C GLY A 56 17.340 -2.008 -22.221 1.00 0.00 C ATOM 774 O GLY A 56 17.008 -3.054 -21.699 1.00 0.00 O ATOM 0 H GLY A 56 18.444 -2.355 -19.992 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.150 -0.068 -21.295 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.753 -0.405 -21.918 1.00 0.00 H new ATOM 778 N PHE A 57 17.234 -1.824 -23.504 1.00 0.00 N ATOM 779 CA PHE A 57 16.698 -2.909 -24.369 1.00 0.00 C ATOM 780 C PHE A 57 17.860 -3.662 -25.019 1.00 0.00 C ATOM 781 O PHE A 57 18.799 -3.072 -25.512 1.00 0.00 O ATOM 782 CB PHE A 57 15.802 -2.307 -25.453 1.00 0.00 C ATOM 783 CG PHE A 57 14.378 -2.760 -25.237 1.00 0.00 C ATOM 784 CD1 PHE A 57 14.083 -4.127 -25.156 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.353 -1.815 -25.116 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.763 -4.547 -24.955 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.033 -2.235 -24.915 1.00 0.00 C ATOM 788 CZ PHE A 57 11.738 -3.602 -24.835 1.00 0.00 C ATOM 0 H PHE A 57 17.496 -0.968 -23.993 1.00 0.00 H new ATOM 0 HA PHE A 57 16.112 -3.601 -23.764 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.857 -1.219 -25.423 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.148 -2.617 -26.439 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.874 -4.857 -25.249 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.581 -0.761 -25.178 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.536 -5.601 -24.892 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.242 -1.505 -24.822 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.720 -3.927 -24.681 1.00 0.00 H new ATOM 798 N ILE A 58 17.799 -4.965 -25.023 1.00 0.00 N ATOM 799 CA ILE A 58 18.895 -5.766 -25.643 1.00 0.00 C ATOM 800 C ILE A 58 18.295 -6.726 -26.671 1.00 0.00 C ATOM 801 O ILE A 58 17.225 -7.266 -26.469 1.00 0.00 O ATOM 802 CB ILE A 58 19.612 -6.572 -24.557 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.598 -7.433 -23.802 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.296 -5.614 -23.578 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.331 -8.567 -23.080 1.00 0.00 C ATOM 0 H ILE A 58 17.036 -5.512 -24.623 1.00 0.00 H new ATOM 0 HA ILE A 58 19.606 -5.099 -26.132 1.00 0.00 H new ATOM 0 HB ILE A 58 20.360 -7.216 -25.020 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.051 -6.823 -23.083 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.864 -7.843 -24.496 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.807 -6.188 -22.804 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.021 -5.002 -24.114 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.548 -4.969 -23.117 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.610 -9.182 -22.541 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.858 -9.182 -23.809 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.047 -8.146 -22.375 1.00 0.00 H new ATOM 817 N PRO A 59 18.995 -6.949 -27.795 1.00 0.00 N ATOM 818 CA PRO A 59 18.511 -7.852 -28.841 1.00 0.00 C ATOM 819 C PRO A 59 18.697 -9.315 -28.424 1.00 0.00 C ATOM 820 O PRO A 59 19.516 -9.618 -27.579 1.00 0.00 O ATOM 821 CB PRO A 59 19.397 -7.524 -30.040 1.00 0.00 C ATOM 822 CG PRO A 59 20.656 -6.974 -29.452 1.00 0.00 C ATOM 823 CD PRO A 59 20.295 -6.346 -28.129 1.00 0.00 C ATOM 0 HA PRO A 59 17.448 -7.725 -29.048 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.596 -8.413 -30.638 1.00 0.00 H new ATOM 0 HB3 PRO A 59 18.919 -6.798 -30.697 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.393 -7.765 -29.314 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.102 -6.236 -30.119 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.043 -6.562 -27.367 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.224 -5.261 -28.208 1.00 0.00 H new ATOM 831 N SER A 60 17.952 -10.225 -28.986 1.00 0.00 N ATOM 832 CA SER A 60 18.119 -11.647 -28.576 1.00 0.00 C ATOM 833 C SER A 60 19.189 -12.322 -29.438 1.00 0.00 C ATOM 834 O SER A 60 19.157 -13.517 -29.659 1.00 0.00 O ATOM 835 CB SER A 60 16.790 -12.384 -28.727 1.00 0.00 C ATOM 836 OG SER A 60 16.395 -12.373 -30.091 1.00 0.00 O ATOM 0 H SER A 60 17.245 -10.051 -29.700 1.00 0.00 H new ATOM 0 HA SER A 60 18.434 -11.682 -27.533 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.889 -13.411 -28.374 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.026 -11.908 -28.112 1.00 0.00 H new ATOM 0 HG SER A 60 15.994 -11.506 -30.308 1.00 0.00 H new ATOM 842 N ASN A 61 20.144 -11.573 -29.920 1.00 0.00 N ATOM 843 CA ASN A 61 21.217 -12.186 -30.753 1.00 0.00 C ATOM 844 C ASN A 61 22.575 -11.595 -30.364 1.00 0.00 C ATOM 845 O ASN A 61 23.598 -11.953 -30.913 1.00 0.00 O ATOM 846 CB ASN A 61 20.942 -11.909 -32.231 1.00 0.00 C ATOM 847 CG ASN A 61 19.496 -12.283 -32.561 1.00 0.00 C ATOM 848 OD1 ASN A 61 18.536 -11.445 -32.281 1.00 0.00 O flip ATOM 849 ND2 ASN A 61 19.236 -13.352 -33.079 1.00 0.00 N flip ATOM 0 H ASN A 61 20.227 -10.567 -29.773 1.00 0.00 H new ATOM 0 HA ASN A 61 21.231 -13.263 -30.584 1.00 0.00 H new ATOM 0 HB2 ASN A 61 21.116 -10.856 -32.453 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.628 -12.483 -32.853 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.986 -14.008 -33.298 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.268 -13.593 -33.294 1.00 0.00 H new ATOM 856 N TYR A 62 22.597 -10.698 -29.416 1.00 0.00 N ATOM 857 CA TYR A 62 23.893 -10.093 -28.991 1.00 0.00 C ATOM 858 C TYR A 62 24.308 -10.678 -27.638 1.00 0.00 C ATOM 859 O TYR A 62 25.475 -10.731 -27.307 1.00 0.00 O ATOM 860 CB TYR A 62 23.736 -8.577 -28.858 1.00 0.00 C ATOM 861 CG TYR A 62 23.814 -7.938 -30.225 1.00 0.00 C ATOM 862 CD1 TYR A 62 22.953 -8.359 -31.245 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.748 -6.924 -30.469 1.00 0.00 C ATOM 864 CE1 TYR A 62 23.027 -7.765 -32.512 1.00 0.00 C ATOM 865 CE2 TYR A 62 24.821 -6.330 -31.735 1.00 0.00 C ATOM 866 CZ TYR A 62 23.961 -6.751 -32.756 1.00 0.00 C ATOM 867 OH TYR A 62 24.032 -6.165 -34.003 1.00 0.00 O ATOM 0 H TYR A 62 21.775 -10.358 -28.917 1.00 0.00 H new ATOM 0 HA TYR A 62 24.656 -10.315 -29.738 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.781 -8.340 -28.388 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.517 -8.175 -28.213 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.232 -9.141 -31.056 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.412 -6.600 -29.681 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.364 -8.089 -33.300 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.541 -5.547 -31.924 1.00 0.00 H new ATOM 0 HH TYR A 62 24.732 -5.479 -34.003 1.00 0.00 H new ATOM 877 N VAL A 63 23.361 -11.119 -26.855 1.00 0.00 N ATOM 878 CA VAL A 63 23.701 -11.702 -25.526 1.00 0.00 C ATOM 879 C VAL A 63 23.159 -13.129 -25.437 1.00 0.00 C ATOM 880 O VAL A 63 22.325 -13.537 -26.221 1.00 0.00 O ATOM 881 CB VAL A 63 23.067 -10.859 -24.419 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.512 -9.404 -24.566 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.541 -10.942 -24.525 1.00 0.00 C ATOM 0 H VAL A 63 22.366 -11.101 -27.079 1.00 0.00 H new ATOM 0 HA VAL A 63 24.784 -11.712 -25.407 1.00 0.00 H new ATOM 0 HB VAL A 63 23.384 -11.237 -23.447 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.060 -8.804 -23.777 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.598 -9.346 -24.489 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.196 -9.023 -25.537 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.088 -10.341 -23.736 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.223 -10.564 -25.497 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.225 -11.980 -24.418 1.00 0.00 H new