USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=12 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 Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -16:sc= 0.555 USER MOD Single : A 23 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-2.6!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.356) 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 -161:sc= -7.37! (180deg=-10.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= 0.908 K(o=0.91,f=-3.4!) USER MOD Single : A 46 LYS NZ :NH3+ 133:sc= -0.238 (180deg=-2.34!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 160:sc= 0.15 USER MOD Single : A 52 THR OG1 : rot 9:sc= 0.8! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= -0.16 (180deg=-1.05) USER MOD Single : A 60 SER OG : rot 64:sc= -0.22! USER MOD Single : A 61 ASN :FLIP amide:sc= 0.136 F(o=-0.61,f=0.14) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 15.902 -13.880 -16.376 1.00 0.00 N ATOM 26 CA ASP A 11 16.968 -14.781 -16.897 1.00 0.00 C ATOM 27 C ASP A 11 18.304 -14.037 -16.900 1.00 0.00 C ATOM 28 O ASP A 11 18.353 -12.831 -17.034 1.00 0.00 O ATOM 29 CB ASP A 11 16.619 -15.209 -18.324 1.00 0.00 C ATOM 30 CG ASP A 11 17.202 -16.597 -18.597 1.00 0.00 C ATOM 31 OD1 ASP A 11 16.785 -17.534 -17.936 1.00 0.00 O ATOM 32 OD2 ASP A 11 18.056 -16.699 -19.463 1.00 0.00 O ATOM 0 HA ASP A 11 17.044 -15.663 -16.261 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.537 -15.225 -18.456 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.017 -14.489 -19.039 1.00 0.00 H new ATOM 37 N ILE A 12 19.391 -14.745 -16.755 1.00 0.00 N ATOM 38 CA ILE A 12 20.720 -14.071 -16.753 1.00 0.00 C ATOM 39 C ILE A 12 21.432 -14.350 -18.079 1.00 0.00 C ATOM 40 O ILE A 12 21.537 -15.480 -18.514 1.00 0.00 O ATOM 41 CB ILE A 12 21.564 -14.595 -15.586 1.00 0.00 C ATOM 42 CG1 ILE A 12 22.523 -13.498 -15.119 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.372 -15.816 -16.035 1.00 0.00 C ATOM 44 CD1 ILE A 12 21.952 -12.816 -13.874 1.00 0.00 C ATOM 0 H ILE A 12 19.416 -15.758 -16.638 1.00 0.00 H new ATOM 0 HA ILE A 12 20.583 -12.996 -16.636 1.00 0.00 H new ATOM 0 HB ILE A 12 20.904 -14.881 -14.767 1.00 0.00 H new ATOM 0 HG12 ILE A 12 23.501 -13.926 -14.896 1.00 0.00 H new ATOM 0 HG13 ILE A 12 22.669 -12.766 -15.913 1.00 0.00 H new ATOM 0 HG21 ILE A 12 22.970 -16.184 -15.201 1.00 0.00 H new ATOM 0 HG22 ILE A 12 21.692 -16.600 -16.367 1.00 0.00 H new ATOM 0 HG23 ILE A 12 23.030 -15.534 -16.857 1.00 0.00 H new ATOM 0 HD11 ILE A 12 22.635 -12.035 -13.541 1.00 0.00 H new ATOM 0 HD12 ILE A 12 20.984 -12.375 -14.112 1.00 0.00 H new ATOM 0 HD13 ILE A 12 21.829 -13.552 -13.080 1.00 0.00 H new ATOM 56 N VAL A 13 21.919 -13.328 -18.723 1.00 0.00 N ATOM 57 CA VAL A 13 22.622 -13.524 -20.019 1.00 0.00 C ATOM 58 C VAL A 13 23.968 -12.808 -19.964 1.00 0.00 C ATOM 59 O VAL A 13 24.138 -11.854 -19.231 1.00 0.00 O ATOM 60 CB VAL A 13 21.779 -12.925 -21.148 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.763 -13.961 -21.631 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.041 -11.688 -20.632 1.00 0.00 C ATOM 0 H VAL A 13 21.860 -12.360 -18.405 1.00 0.00 H new ATOM 0 HA VAL A 13 22.773 -14.588 -20.201 1.00 0.00 H new ATOM 0 HB VAL A 13 22.429 -12.641 -21.976 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.163 -13.535 -22.435 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.289 -14.842 -21.999 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.112 -14.246 -20.804 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.441 -11.261 -21.435 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.391 -11.971 -19.804 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.765 -10.949 -20.288 1.00 0.00 H new ATOM 72 N VAL A 14 24.924 -13.240 -20.733 1.00 0.00 N ATOM 73 CA VAL A 14 26.239 -12.550 -20.706 1.00 0.00 C ATOM 74 C VAL A 14 26.468 -11.873 -22.055 1.00 0.00 C ATOM 75 O VAL A 14 26.242 -12.452 -23.100 1.00 0.00 O ATOM 76 CB VAL A 14 27.358 -13.555 -20.421 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.233 -14.743 -21.376 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.715 -12.879 -20.623 1.00 0.00 C ATOM 0 H VAL A 14 24.854 -14.032 -21.372 1.00 0.00 H new ATOM 0 HA VAL A 14 26.244 -11.801 -19.915 1.00 0.00 H new ATOM 0 HB VAL A 14 27.277 -13.906 -19.392 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.030 -15.458 -21.173 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.266 -15.226 -21.232 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.314 -14.393 -22.405 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.512 -13.595 -20.420 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.797 -12.527 -21.651 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.805 -12.033 -19.942 1.00 0.00 H new ATOM 88 N ALA A 15 26.899 -10.644 -22.037 1.00 0.00 N ATOM 89 CA ALA A 15 27.129 -9.916 -23.312 1.00 0.00 C ATOM 90 C ALA A 15 28.104 -10.701 -24.187 1.00 0.00 C ATOM 91 O ALA A 15 29.260 -10.871 -23.852 1.00 0.00 O ATOM 92 CB ALA A 15 27.714 -8.535 -23.012 1.00 0.00 C ATOM 0 H ALA A 15 27.102 -10.112 -21.191 1.00 0.00 H new ATOM 0 HA ALA A 15 26.181 -9.806 -23.839 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.883 -8.001 -23.947 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.017 -7.971 -22.393 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.660 -8.648 -22.482 1.00 0.00 H new ATOM 98 N LEU A 16 27.652 -11.159 -25.319 1.00 0.00 N ATOM 99 CA LEU A 16 28.558 -11.906 -26.231 1.00 0.00 C ATOM 100 C LEU A 16 29.243 -10.891 -27.141 1.00 0.00 C ATOM 101 O LEU A 16 30.346 -11.093 -27.608 1.00 0.00 O ATOM 102 CB LEU A 16 27.748 -12.896 -27.071 1.00 0.00 C ATOM 103 CG LEU A 16 27.162 -13.977 -26.160 1.00 0.00 C ATOM 104 CD1 LEU A 16 26.037 -14.708 -26.895 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.258 -14.975 -25.783 1.00 0.00 C ATOM 0 H LEU A 16 26.694 -11.048 -25.652 1.00 0.00 H new ATOM 0 HA LEU A 16 29.299 -12.465 -25.660 1.00 0.00 H new ATOM 0 HB2 LEU A 16 26.948 -12.375 -27.596 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.384 -13.351 -27.830 1.00 0.00 H new ATOM 0 HG LEU A 16 26.765 -13.515 -25.256 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.619 -15.478 -26.247 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.256 -13.997 -27.164 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.433 -15.171 -27.799 1.00 0.00 H new ATOM 0 HD21 LEU A 16 27.841 -15.745 -25.134 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.655 -15.438 -26.686 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.060 -14.454 -25.259 1.00 0.00 H new ATOM 117 N TYR A 17 28.587 -9.790 -27.380 1.00 0.00 N ATOM 118 CA TYR A 17 29.173 -8.732 -28.243 1.00 0.00 C ATOM 119 C TYR A 17 28.919 -7.370 -27.592 1.00 0.00 C ATOM 120 O TYR A 17 27.859 -7.122 -27.054 1.00 0.00 O ATOM 121 CB TYR A 17 28.504 -8.769 -29.619 1.00 0.00 C ATOM 122 CG TYR A 17 29.024 -9.952 -30.400 1.00 0.00 C ATOM 123 CD1 TYR A 17 28.485 -11.226 -30.184 1.00 0.00 C ATOM 124 CD2 TYR A 17 30.045 -9.774 -31.341 1.00 0.00 C ATOM 125 CE1 TYR A 17 28.967 -12.322 -30.908 1.00 0.00 C ATOM 126 CE2 TYR A 17 30.528 -10.871 -32.065 1.00 0.00 C ATOM 127 CZ TYR A 17 29.989 -12.145 -31.849 1.00 0.00 C ATOM 128 OH TYR A 17 30.464 -13.225 -32.563 1.00 0.00 O ATOM 0 H TYR A 17 27.661 -9.578 -27.010 1.00 0.00 H new ATOM 0 HA TYR A 17 30.244 -8.897 -28.358 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.422 -8.841 -29.507 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.708 -7.845 -30.159 1.00 0.00 H new ATOM 0 HD1 TYR A 17 27.697 -11.363 -29.458 1.00 0.00 H new ATOM 0 HD2 TYR A 17 30.460 -8.791 -31.509 1.00 0.00 H new ATOM 0 HE1 TYR A 17 28.551 -13.305 -30.741 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.317 -10.734 -32.790 1.00 0.00 H new ATOM 0 HH TYR A 17 31.171 -12.928 -33.174 1.00 0.00 H new ATOM 138 N PRO A 18 29.908 -6.470 -27.649 1.00 0.00 N ATOM 139 CA PRO A 18 29.792 -5.123 -27.072 1.00 0.00 C ATOM 140 C PRO A 18 28.658 -4.321 -27.718 1.00 0.00 C ATOM 141 O PRO A 18 28.421 -4.402 -28.907 1.00 0.00 O ATOM 142 CB PRO A 18 31.154 -4.491 -27.383 1.00 0.00 C ATOM 143 CG PRO A 18 31.651 -5.268 -28.554 1.00 0.00 C ATOM 144 CD PRO A 18 31.216 -6.678 -28.284 1.00 0.00 C ATOM 0 HA PRO A 18 29.555 -5.143 -26.008 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.058 -3.431 -27.618 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.834 -4.569 -26.534 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.228 -4.894 -29.486 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.735 -5.198 -28.645 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.138 -7.265 -29.199 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.911 -7.202 -27.628 1.00 0.00 H new ATOM 152 N TYR A 19 27.948 -3.555 -26.934 1.00 0.00 N ATOM 153 CA TYR A 19 26.818 -2.753 -27.482 1.00 0.00 C ATOM 154 C TYR A 19 26.905 -1.321 -26.955 1.00 0.00 C ATOM 155 O TYR A 19 26.929 -1.094 -25.761 1.00 0.00 O ATOM 156 CB TYR A 19 25.497 -3.373 -27.023 1.00 0.00 C ATOM 157 CG TYR A 19 24.350 -2.774 -27.806 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.752 -1.581 -27.377 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.881 -3.416 -28.958 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.686 -1.031 -28.101 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.815 -2.866 -29.682 1.00 0.00 C ATOM 162 CZ TYR A 19 22.218 -1.674 -29.254 1.00 0.00 C ATOM 163 OH TYR A 19 21.169 -1.133 -29.967 1.00 0.00 O ATOM 0 H TYR A 19 28.104 -3.450 -25.931 1.00 0.00 H new ATOM 0 HA TYR A 19 26.870 -2.746 -28.571 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.522 -4.453 -27.167 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.353 -3.197 -25.957 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.113 -1.086 -26.488 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.341 -4.335 -29.289 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.225 -0.112 -27.770 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.454 -3.362 -30.571 1.00 0.00 H new ATOM 0 HH TYR A 19 20.708 -0.467 -29.416 1.00 0.00 H new ATOM 173 N ASP A 20 26.943 -0.350 -27.823 1.00 0.00 N ATOM 174 CA ASP A 20 27.017 1.058 -27.345 1.00 0.00 C ATOM 175 C ASP A 20 25.633 1.695 -27.461 1.00 0.00 C ATOM 176 O ASP A 20 25.130 1.914 -28.544 1.00 0.00 O ATOM 177 CB ASP A 20 28.026 1.842 -28.187 1.00 0.00 C ATOM 178 CG ASP A 20 28.959 2.627 -27.264 1.00 0.00 C ATOM 179 OD1 ASP A 20 28.466 3.474 -26.537 1.00 0.00 O ATOM 180 OD2 ASP A 20 30.151 2.368 -27.299 1.00 0.00 O ATOM 0 H ASP A 20 26.926 -0.469 -28.836 1.00 0.00 H new ATOM 0 HA ASP A 20 27.342 1.076 -26.305 1.00 0.00 H new ATOM 0 HB2 ASP A 20 28.604 1.160 -28.811 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.504 2.523 -28.859 1.00 0.00 H new ATOM 185 N GLY A 21 25.014 1.976 -26.343 1.00 0.00 N ATOM 186 CA GLY A 21 23.652 2.587 -26.351 1.00 0.00 C ATOM 187 C GLY A 21 23.439 3.419 -27.618 1.00 0.00 C ATOM 188 O GLY A 21 23.705 4.604 -27.647 1.00 0.00 O ATOM 0 H GLY A 21 25.400 1.806 -25.414 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.896 1.804 -26.293 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.526 3.217 -25.471 1.00 0.00 H new ATOM 192 N ILE A 22 22.944 2.809 -28.661 1.00 0.00 N ATOM 193 CA ILE A 22 22.696 3.567 -29.917 1.00 0.00 C ATOM 194 C ILE A 22 21.239 4.028 -29.925 1.00 0.00 C ATOM 195 O ILE A 22 20.843 4.877 -30.700 1.00 0.00 O ATOM 196 CB ILE A 22 22.957 2.664 -31.125 1.00 0.00 C ATOM 197 CG1 ILE A 22 24.458 2.400 -31.250 1.00 0.00 C ATOM 198 CG2 ILE A 22 22.453 3.353 -32.394 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.718 0.893 -31.182 1.00 0.00 C ATOM 0 H ILE A 22 22.701 1.819 -28.696 1.00 0.00 H new ATOM 0 HA ILE A 22 23.361 4.429 -29.971 1.00 0.00 H new ATOM 0 HB ILE A 22 22.432 1.718 -30.992 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.832 2.802 -32.192 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.996 2.909 -30.450 1.00 0.00 H new ATOM 0 HG21 ILE A 22 22.638 2.711 -33.255 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.383 3.541 -32.305 1.00 0.00 H new ATOM 0 HG23 ILE A 22 22.978 4.299 -32.527 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.788 0.704 -31.271 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.359 0.504 -30.229 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.193 0.396 -31.998 1.00 0.00 H new ATOM 211 N HIS A 23 20.441 3.471 -29.055 1.00 0.00 N ATOM 212 CA HIS A 23 19.008 3.864 -28.984 1.00 0.00 C ATOM 213 C HIS A 23 18.751 4.563 -27.649 1.00 0.00 C ATOM 214 O HIS A 23 19.622 4.646 -26.806 1.00 0.00 O ATOM 215 CB HIS A 23 18.133 2.613 -29.080 1.00 0.00 C ATOM 216 CG HIS A 23 17.330 2.660 -30.351 1.00 0.00 C ATOM 217 ND1 HIS A 23 16.018 2.216 -30.413 1.00 0.00 N ATOM 218 CD2 HIS A 23 17.638 3.096 -31.616 1.00 0.00 C ATOM 219 CE1 HIS A 23 15.590 2.393 -31.676 1.00 0.00 C ATOM 220 NE2 HIS A 23 16.538 2.927 -32.451 1.00 0.00 N ATOM 0 H HIS A 23 20.724 2.755 -28.386 1.00 0.00 H new ATOM 0 HA HIS A 23 18.767 4.538 -29.806 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.756 1.718 -29.063 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.468 2.554 -28.219 1.00 0.00 H new ATOM 0 HD2 HIS A 23 18.590 3.508 -31.917 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.600 2.135 -32.022 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.470 3.161 -33.442 1.00 0.00 H new ATOM 228 N PRO A 24 17.530 5.077 -27.455 1.00 0.00 N ATOM 229 CA PRO A 24 17.155 5.773 -26.220 1.00 0.00 C ATOM 230 C PRO A 24 17.009 4.809 -25.038 1.00 0.00 C ATOM 231 O PRO A 24 17.300 5.150 -23.909 1.00 0.00 O ATOM 232 CB PRO A 24 15.801 6.395 -26.556 1.00 0.00 C ATOM 233 CG PRO A 24 15.246 5.532 -27.640 1.00 0.00 C ATOM 234 CD PRO A 24 16.422 5.022 -28.425 1.00 0.00 C ATOM 0 HA PRO A 24 17.911 6.498 -25.917 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.145 6.409 -25.686 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.911 7.427 -26.889 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.671 4.706 -27.222 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.570 6.099 -28.279 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.254 4.007 -28.786 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.622 5.643 -29.299 1.00 0.00 H new ATOM 242 N ASP A 25 16.548 3.615 -25.284 1.00 0.00 N ATOM 243 CA ASP A 25 16.369 2.641 -24.168 1.00 0.00 C ATOM 244 C ASP A 25 17.362 1.481 -24.301 1.00 0.00 C ATOM 245 O ASP A 25 17.509 0.678 -23.401 1.00 0.00 O ATOM 246 CB ASP A 25 14.944 2.086 -24.211 1.00 0.00 C ATOM 247 CG ASP A 25 13.968 3.212 -24.558 1.00 0.00 C ATOM 248 OD1 ASP A 25 13.595 3.944 -23.656 1.00 0.00 O ATOM 249 OD2 ASP A 25 13.610 3.322 -25.719 1.00 0.00 O ATOM 0 H ASP A 25 16.287 3.270 -26.208 1.00 0.00 H new ATOM 0 HA ASP A 25 16.548 3.153 -23.222 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.875 1.289 -24.952 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.683 1.649 -23.247 1.00 0.00 H new ATOM 254 N ASP A 26 18.038 1.374 -25.412 1.00 0.00 N ATOM 255 CA ASP A 26 19.003 0.252 -25.584 1.00 0.00 C ATOM 256 C ASP A 26 20.086 0.332 -24.507 1.00 0.00 C ATOM 257 O ASP A 26 20.857 1.271 -24.465 1.00 0.00 O ATOM 258 CB ASP A 26 19.658 0.351 -26.962 1.00 0.00 C ATOM 259 CG ASP A 26 18.764 -0.330 -28.001 1.00 0.00 C ATOM 260 OD1 ASP A 26 17.722 -0.835 -27.616 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.135 -0.334 -29.163 1.00 0.00 O ATOM 0 H ASP A 26 17.964 2.012 -26.205 1.00 0.00 H new ATOM 0 HA ASP A 26 18.471 -0.695 -25.495 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.813 1.396 -27.229 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.640 -0.122 -26.945 1.00 0.00 H new ATOM 266 N LEU A 27 20.168 -0.642 -23.642 1.00 0.00 N ATOM 267 CA LEU A 27 21.219 -0.607 -22.588 1.00 0.00 C ATOM 268 C LEU A 27 22.548 -1.041 -23.214 1.00 0.00 C ATOM 269 O LEU A 27 22.610 -1.999 -23.959 1.00 0.00 O ATOM 270 CB LEU A 27 20.815 -1.552 -21.445 1.00 0.00 C ATOM 271 CG LEU A 27 22.044 -1.998 -20.646 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.792 -3.090 -21.415 1.00 0.00 C ATOM 273 CD2 LEU A 27 22.969 -0.803 -20.411 1.00 0.00 C ATOM 0 H LEU A 27 19.555 -1.457 -23.620 1.00 0.00 H new ATOM 0 HA LEU A 27 21.329 0.398 -22.181 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.109 -1.049 -20.784 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.304 -2.425 -21.852 1.00 0.00 H new ATOM 0 HG LEU A 27 21.722 -2.395 -19.683 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.665 -3.404 -20.843 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.132 -3.944 -21.569 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.112 -2.700 -22.381 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.842 -1.125 -19.842 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.290 -0.397 -21.370 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.435 -0.034 -19.852 1.00 0.00 H new ATOM 285 N SER A 28 23.609 -0.336 -22.930 1.00 0.00 N ATOM 286 CA SER A 28 24.930 -0.695 -23.521 1.00 0.00 C ATOM 287 C SER A 28 25.600 -1.797 -22.697 1.00 0.00 C ATOM 288 O SER A 28 25.625 -1.755 -21.484 1.00 0.00 O ATOM 289 CB SER A 28 25.830 0.542 -23.525 1.00 0.00 C ATOM 290 OG SER A 28 26.616 0.560 -22.342 1.00 0.00 O ATOM 0 H SER A 28 23.618 0.476 -22.312 1.00 0.00 H new ATOM 0 HA SER A 28 24.777 -1.055 -24.539 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.476 0.532 -24.403 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.224 1.446 -23.585 1.00 0.00 H new ATOM 0 HG SER A 28 27.194 1.352 -22.345 1.00 0.00 H new ATOM 296 N PHE A 29 26.168 -2.771 -23.353 1.00 0.00 N ATOM 297 CA PHE A 29 26.862 -3.861 -22.615 1.00 0.00 C ATOM 298 C PHE A 29 28.151 -4.213 -23.357 1.00 0.00 C ATOM 299 O PHE A 29 28.227 -4.109 -24.565 1.00 0.00 O ATOM 300 CB PHE A 29 25.960 -5.097 -22.513 1.00 0.00 C ATOM 301 CG PHE A 29 25.277 -5.367 -23.834 1.00 0.00 C ATOM 302 CD1 PHE A 29 24.029 -4.794 -24.108 1.00 0.00 C ATOM 303 CD2 PHE A 29 25.883 -6.207 -24.775 1.00 0.00 C ATOM 304 CE1 PHE A 29 23.389 -5.058 -25.325 1.00 0.00 C ATOM 305 CE2 PHE A 29 25.242 -6.474 -25.991 1.00 0.00 C ATOM 306 CZ PHE A 29 23.995 -5.899 -26.267 1.00 0.00 C ATOM 0 H PHE A 29 26.181 -2.858 -24.369 1.00 0.00 H new ATOM 0 HA PHE A 29 27.095 -3.525 -21.605 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.553 -5.963 -22.220 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.212 -4.945 -21.735 1.00 0.00 H new ATOM 0 HD1 PHE A 29 23.560 -4.148 -23.380 1.00 0.00 H new ATOM 0 HD2 PHE A 29 26.845 -6.649 -24.563 1.00 0.00 H new ATOM 0 HE1 PHE A 29 22.428 -4.613 -25.537 1.00 0.00 H new ATOM 0 HE2 PHE A 29 25.709 -7.124 -26.716 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.501 -6.104 -27.205 1.00 0.00 H new ATOM 316 N LYS A 30 29.170 -4.616 -22.651 1.00 0.00 N ATOM 317 CA LYS A 30 30.450 -4.956 -23.331 1.00 0.00 C ATOM 318 C LYS A 30 30.659 -6.467 -23.297 1.00 0.00 C ATOM 319 O LYS A 30 30.390 -7.112 -22.304 1.00 0.00 O ATOM 320 CB LYS A 30 31.606 -4.271 -22.600 1.00 0.00 C ATOM 321 CG LYS A 30 32.827 -4.210 -23.520 1.00 0.00 C ATOM 322 CD LYS A 30 34.063 -4.696 -22.760 1.00 0.00 C ATOM 323 CE LYS A 30 35.059 -5.312 -23.745 1.00 0.00 C ATOM 324 NZ LYS A 30 35.333 -4.345 -24.846 1.00 0.00 N ATOM 0 H LYS A 30 29.172 -4.724 -21.637 1.00 0.00 H new ATOM 0 HA LYS A 30 30.414 -4.616 -24.366 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.314 -3.265 -22.298 1.00 0.00 H new ATOM 0 HB3 LYS A 30 31.850 -4.819 -21.690 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.662 -4.829 -24.402 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.981 -3.190 -23.871 1.00 0.00 H new ATOM 0 HD2 LYS A 30 34.527 -3.864 -22.230 1.00 0.00 H new ATOM 0 HD3 LYS A 30 33.775 -5.432 -22.009 1.00 0.00 H new ATOM 0 HE2 LYS A 30 35.986 -5.566 -23.230 1.00 0.00 H new ATOM 0 HE3 LYS A 30 34.657 -6.239 -24.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 36.191 -4.635 -25.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 34.527 -4.330 -25.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 35.472 -3.395 -24.447 1.00 0.00 H new ATOM 338 N LYS A 31 31.147 -7.041 -24.365 1.00 0.00 N ATOM 339 CA LYS A 31 31.377 -8.511 -24.359 1.00 0.00 C ATOM 340 C LYS A 31 31.988 -8.897 -23.013 1.00 0.00 C ATOM 341 O LYS A 31 32.648 -8.104 -22.371 1.00 0.00 O ATOM 342 CB LYS A 31 32.332 -8.903 -25.485 1.00 0.00 C ATOM 343 CG LYS A 31 33.545 -7.971 -25.473 1.00 0.00 C ATOM 344 CD LYS A 31 34.333 -8.142 -26.773 1.00 0.00 C ATOM 345 CE LYS A 31 35.209 -9.394 -26.678 1.00 0.00 C ATOM 346 NZ LYS A 31 35.966 -9.568 -27.949 1.00 0.00 N ATOM 0 H LYS A 31 31.393 -6.560 -25.230 1.00 0.00 H new ATOM 0 HA LYS A 31 30.431 -9.031 -24.511 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.653 -9.937 -25.360 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.822 -8.841 -26.446 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.221 -6.936 -25.365 1.00 0.00 H new ATOM 0 HG3 LYS A 31 34.181 -8.196 -24.617 1.00 0.00 H new ATOM 0 HD2 LYS A 31 33.649 -8.227 -27.617 1.00 0.00 H new ATOM 0 HD3 LYS A 31 34.953 -7.264 -26.953 1.00 0.00 H new ATOM 0 HE2 LYS A 31 35.900 -9.304 -25.840 1.00 0.00 H new ATOM 0 HE3 LYS A 31 34.590 -10.271 -26.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 36.561 -10.418 -27.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 35.298 -9.672 -28.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 36.568 -8.736 -28.111 1.00 0.00 H new ATOM 360 N GLY A 32 31.765 -10.102 -22.572 1.00 0.00 N ATOM 361 CA GLY A 32 32.325 -10.528 -21.258 1.00 0.00 C ATOM 362 C GLY A 32 31.463 -9.962 -20.119 1.00 0.00 C ATOM 363 O GLY A 32 31.540 -10.410 -18.992 1.00 0.00 O ATOM 0 H GLY A 32 31.220 -10.811 -23.063 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.353 -11.616 -21.199 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.352 -10.177 -21.159 1.00 0.00 H new ATOM 367 N GLU A 33 30.644 -8.982 -20.402 1.00 0.00 N ATOM 368 CA GLU A 33 29.783 -8.391 -19.334 1.00 0.00 C ATOM 369 C GLU A 33 28.529 -9.250 -19.146 1.00 0.00 C ATOM 370 O GLU A 33 28.074 -9.916 -20.054 1.00 0.00 O ATOM 371 CB GLU A 33 29.378 -6.969 -19.726 1.00 0.00 C ATOM 372 CG GLU A 33 29.128 -6.143 -18.463 1.00 0.00 C ATOM 373 CD GLU A 33 29.999 -4.885 -18.495 1.00 0.00 C ATOM 374 OE1 GLU A 33 31.202 -5.025 -18.637 1.00 0.00 O ATOM 375 OE2 GLU A 33 29.447 -3.803 -18.379 1.00 0.00 O ATOM 0 H GLU A 33 30.534 -8.565 -21.327 1.00 0.00 H new ATOM 0 HA GLU A 33 30.342 -8.361 -18.399 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.163 -6.508 -20.325 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.479 -6.992 -20.342 1.00 0.00 H new ATOM 0 HG2 GLU A 33 28.075 -5.868 -18.398 1.00 0.00 H new ATOM 0 HG3 GLU A 33 29.358 -6.735 -17.577 1.00 0.00 H new ATOM 382 N LYS A 34 27.975 -9.243 -17.961 1.00 0.00 N ATOM 383 CA LYS A 34 26.756 -10.060 -17.690 1.00 0.00 C ATOM 384 C LYS A 34 25.528 -9.153 -17.605 1.00 0.00 C ATOM 385 O LYS A 34 25.598 -8.028 -17.152 1.00 0.00 O ATOM 386 CB LYS A 34 26.930 -10.803 -16.364 1.00 0.00 C ATOM 387 CG LYS A 34 27.319 -12.257 -16.640 1.00 0.00 C ATOM 388 CD LYS A 34 28.365 -12.708 -15.618 1.00 0.00 C ATOM 389 CE LYS A 34 27.671 -13.059 -14.300 1.00 0.00 C ATOM 390 NZ LYS A 34 28.662 -13.659 -13.362 1.00 0.00 N ATOM 0 H LYS A 34 28.317 -8.703 -17.166 1.00 0.00 H new ATOM 0 HA LYS A 34 26.617 -10.776 -18.500 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.698 -10.318 -15.761 1.00 0.00 H new ATOM 0 HB3 LYS A 34 26.004 -10.766 -15.790 1.00 0.00 H new ATOM 0 HG2 LYS A 34 26.439 -12.897 -16.582 1.00 0.00 H new ATOM 0 HG3 LYS A 34 27.717 -12.353 -17.650 1.00 0.00 H new ATOM 0 HD2 LYS A 34 28.910 -13.573 -15.996 1.00 0.00 H new ATOM 0 HD3 LYS A 34 29.097 -11.916 -15.457 1.00 0.00 H new ATOM 0 HE2 LYS A 34 27.231 -12.165 -13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 34 26.855 -13.759 -14.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 28.191 -13.898 -12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 29.061 -14.522 -13.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 29.426 -12.977 -13.181 1.00 0.00 H new ATOM 404 N MET A 35 24.403 -9.642 -18.045 1.00 0.00 N ATOM 405 CA MET A 35 23.154 -8.833 -18.009 1.00 0.00 C ATOM 406 C MET A 35 21.985 -9.705 -17.559 1.00 0.00 C ATOM 407 O MET A 35 21.980 -10.907 -17.735 1.00 0.00 O ATOM 408 CB MET A 35 22.843 -8.306 -19.407 1.00 0.00 C ATOM 409 CG MET A 35 23.342 -6.864 -19.535 1.00 0.00 C ATOM 410 SD MET A 35 23.192 -6.322 -21.257 1.00 0.00 S ATOM 411 CE MET A 35 23.963 -7.769 -22.025 1.00 0.00 C ATOM 0 H MET A 35 24.295 -10.579 -18.433 1.00 0.00 H new ATOM 0 HA MET A 35 23.295 -8.005 -17.314 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.321 -8.935 -20.158 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.770 -8.348 -19.592 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.763 -6.209 -18.885 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.381 -6.797 -19.211 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.282 -7.517 -23.036 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.828 -8.075 -21.437 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.243 -8.587 -22.065 1.00 0.00 H new ATOM 421 N LYS A 36 20.988 -9.093 -16.990 1.00 0.00 N ATOM 422 CA LYS A 36 19.795 -9.855 -16.530 1.00 0.00 C ATOM 423 C LYS A 36 18.565 -9.288 -17.236 1.00 0.00 C ATOM 424 O LYS A 36 18.416 -8.091 -17.359 1.00 0.00 O ATOM 425 CB LYS A 36 19.636 -9.699 -15.016 1.00 0.00 C ATOM 426 CG LYS A 36 18.406 -10.481 -14.549 1.00 0.00 C ATOM 427 CD LYS A 36 17.833 -9.827 -13.290 1.00 0.00 C ATOM 428 CE LYS A 36 17.750 -10.864 -12.169 1.00 0.00 C ATOM 429 NZ LYS A 36 19.071 -10.966 -11.488 1.00 0.00 N ATOM 0 H LYS A 36 20.947 -8.088 -16.822 1.00 0.00 H new ATOM 0 HA LYS A 36 19.911 -10.913 -16.764 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.528 -10.064 -14.506 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.530 -8.645 -14.757 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.653 -10.500 -15.337 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.677 -11.516 -14.343 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.463 -8.993 -12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.843 -9.420 -13.497 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.980 -10.579 -11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.463 -11.833 -12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.015 -11.671 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.795 -11.257 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.327 -10.041 -11.086 1.00 0.00 H new ATOM 443 N VAL A 37 17.690 -10.128 -17.714 1.00 0.00 N ATOM 444 CA VAL A 37 16.489 -9.604 -18.424 1.00 0.00 C ATOM 445 C VAL A 37 15.292 -9.566 -17.473 1.00 0.00 C ATOM 446 O VAL A 37 14.874 -10.575 -16.940 1.00 0.00 O ATOM 447 CB VAL A 37 16.168 -10.500 -19.619 1.00 0.00 C ATOM 448 CG1 VAL A 37 15.467 -9.675 -20.696 1.00 0.00 C ATOM 449 CG2 VAL A 37 17.465 -11.083 -20.183 1.00 0.00 C ATOM 0 H VAL A 37 17.752 -11.144 -17.645 1.00 0.00 H new ATOM 0 HA VAL A 37 16.696 -8.593 -18.774 1.00 0.00 H new ATOM 0 HB VAL A 37 15.515 -11.313 -19.301 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.237 -10.312 -21.550 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.543 -9.260 -20.293 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.120 -8.863 -21.015 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.236 -11.722 -21.036 1.00 0.00 H new ATOM 0 HG22 VAL A 37 18.120 -10.272 -20.503 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.965 -11.671 -19.413 1.00 0.00 H new ATOM 459 N LEU A 38 14.741 -8.404 -17.256 1.00 0.00 N ATOM 460 CA LEU A 38 13.574 -8.289 -16.339 1.00 0.00 C ATOM 461 C LEU A 38 12.277 -8.555 -17.109 1.00 0.00 C ATOM 462 O LEU A 38 11.250 -8.836 -16.525 1.00 0.00 O ATOM 463 CB LEU A 38 13.530 -6.879 -15.745 1.00 0.00 C ATOM 464 CG LEU A 38 14.815 -6.612 -14.958 1.00 0.00 C ATOM 465 CD1 LEU A 38 15.142 -7.825 -14.084 1.00 0.00 C ATOM 466 CD2 LEU A 38 15.968 -6.360 -15.932 1.00 0.00 C ATOM 0 H LEU A 38 15.050 -7.527 -17.676 1.00 0.00 H new ATOM 0 HA LEU A 38 13.674 -9.023 -15.539 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.419 -6.142 -16.540 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.664 -6.776 -15.092 1.00 0.00 H new ATOM 0 HG LEU A 38 14.676 -5.736 -14.325 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.057 -7.634 -13.524 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.322 -8.004 -13.389 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.280 -8.702 -14.716 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.883 -6.170 -15.371 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.106 -7.236 -16.566 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.737 -5.495 -16.553 1.00 0.00 H new ATOM 478 N GLU A 39 12.307 -8.470 -18.413 1.00 0.00 N ATOM 479 CA GLU A 39 11.063 -8.719 -19.194 1.00 0.00 C ATOM 480 C GLU A 39 11.423 -9.193 -20.602 1.00 0.00 C ATOM 481 O GLU A 39 12.357 -8.711 -21.211 1.00 0.00 O ATOM 482 CB GLU A 39 10.250 -7.427 -19.282 1.00 0.00 C ATOM 483 CG GLU A 39 8.757 -7.763 -19.280 1.00 0.00 C ATOM 484 CD GLU A 39 7.953 -6.521 -19.668 1.00 0.00 C ATOM 485 OE1 GLU A 39 8.555 -5.577 -20.154 1.00 0.00 O ATOM 486 OE2 GLU A 39 6.749 -6.534 -19.473 1.00 0.00 O ATOM 0 H GLU A 39 13.133 -8.241 -18.966 1.00 0.00 H new ATOM 0 HA GLU A 39 10.473 -9.488 -18.696 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.488 -6.777 -18.440 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.510 -6.882 -20.190 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.555 -8.573 -19.981 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.453 -8.112 -18.293 1.00 0.00 H new ATOM 493 N GLU A 40 10.682 -10.129 -21.126 1.00 0.00 N ATOM 494 CA GLU A 40 10.972 -10.631 -22.497 1.00 0.00 C ATOM 495 C GLU A 40 9.883 -10.141 -23.451 1.00 0.00 C ATOM 496 O GLU A 40 8.707 -10.196 -23.148 1.00 0.00 O ATOM 497 CB GLU A 40 10.996 -12.161 -22.489 1.00 0.00 C ATOM 498 CG GLU A 40 11.111 -12.679 -23.924 1.00 0.00 C ATOM 499 CD GLU A 40 12.017 -13.912 -23.950 1.00 0.00 C ATOM 500 OE1 GLU A 40 11.803 -14.798 -23.140 1.00 0.00 O ATOM 501 OE2 GLU A 40 12.911 -13.948 -24.780 1.00 0.00 O ATOM 0 H GLU A 40 9.887 -10.569 -20.663 1.00 0.00 H new ATOM 0 HA GLU A 40 11.942 -10.259 -22.826 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.836 -12.519 -21.894 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.089 -12.547 -22.024 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.124 -12.932 -24.311 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.518 -11.902 -24.571 1.00 0.00 H new ATOM 508 N HIS A 41 10.262 -9.661 -24.602 1.00 0.00 N ATOM 509 CA HIS A 41 9.253 -9.167 -25.576 1.00 0.00 C ATOM 510 C HIS A 41 9.381 -9.958 -26.878 1.00 0.00 C ATOM 511 O HIS A 41 9.193 -9.432 -27.957 1.00 0.00 O ATOM 512 CB HIS A 41 9.507 -7.686 -25.855 1.00 0.00 C ATOM 513 CG HIS A 41 8.998 -6.863 -24.704 1.00 0.00 C ATOM 514 ND1 HIS A 41 7.689 -6.412 -24.638 1.00 0.00 N ATOM 515 CD2 HIS A 41 9.611 -6.401 -23.565 1.00 0.00 C ATOM 516 CE1 HIS A 41 7.558 -5.713 -23.496 1.00 0.00 C ATOM 517 NE2 HIS A 41 8.700 -5.675 -22.804 1.00 0.00 N ATOM 0 H HIS A 41 11.232 -9.590 -24.910 1.00 0.00 H new ATOM 0 HA HIS A 41 8.251 -9.296 -25.167 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.573 -7.510 -25.998 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.008 -7.388 -26.777 1.00 0.00 H new ATOM 0 HD2 HIS A 41 10.644 -6.575 -23.300 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.641 -5.240 -23.177 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.868 -5.213 -21.910 1.00 0.00 H new ATOM 525 N GLY A 42 9.703 -11.219 -26.786 1.00 0.00 N ATOM 526 CA GLY A 42 9.847 -12.042 -28.018 1.00 0.00 C ATOM 527 C GLY A 42 11.318 -12.069 -28.441 1.00 0.00 C ATOM 528 O GLY A 42 12.149 -12.674 -27.794 1.00 0.00 O ATOM 0 H GLY A 42 9.872 -11.714 -25.911 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.491 -13.056 -27.835 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.234 -11.628 -28.819 1.00 0.00 H new ATOM 532 N GLU A 43 11.644 -11.423 -29.527 1.00 0.00 N ATOM 533 CA GLU A 43 13.060 -11.417 -29.994 1.00 0.00 C ATOM 534 C GLU A 43 13.833 -10.295 -29.296 1.00 0.00 C ATOM 535 O GLU A 43 15.035 -10.183 -29.433 1.00 0.00 O ATOM 536 CB GLU A 43 13.095 -11.193 -31.507 1.00 0.00 C ATOM 537 CG GLU A 43 14.164 -12.092 -32.130 1.00 0.00 C ATOM 538 CD GLU A 43 13.537 -13.429 -32.529 1.00 0.00 C ATOM 539 OE1 GLU A 43 12.357 -13.439 -32.837 1.00 0.00 O ATOM 540 OE2 GLU A 43 14.248 -14.420 -32.520 1.00 0.00 O ATOM 0 H GLU A 43 10.992 -10.899 -30.111 1.00 0.00 H new ATOM 0 HA GLU A 43 13.522 -12.375 -29.753 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.120 -11.415 -31.941 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.311 -10.147 -31.726 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.598 -11.607 -33.004 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.975 -12.256 -31.421 1.00 0.00 H new ATOM 547 N TRP A 44 13.159 -9.460 -28.553 1.00 0.00 N ATOM 548 CA TRP A 44 13.871 -8.349 -27.859 1.00 0.00 C ATOM 549 C TRP A 44 13.477 -8.325 -26.380 1.00 0.00 C ATOM 550 O TRP A 44 12.337 -8.550 -26.028 1.00 0.00 O ATOM 551 CB TRP A 44 13.489 -7.017 -28.507 1.00 0.00 C ATOM 552 CG TRP A 44 14.308 -6.809 -29.740 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.096 -7.423 -30.927 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.461 -5.938 -29.931 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.046 -6.986 -31.833 1.00 0.00 N ATOM 556 CE2 TRP A 44 15.909 -6.070 -31.266 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.154 -5.056 -29.082 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.006 -5.352 -31.743 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.259 -4.332 -29.560 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.684 -4.479 -30.887 1.00 0.00 C ATOM 0 H TRP A 44 12.152 -9.498 -28.397 1.00 0.00 H new ATOM 0 HA TRP A 44 14.947 -8.503 -27.943 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.428 -7.013 -28.757 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.654 -6.199 -27.806 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.313 -8.138 -31.134 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.102 -7.302 -32.801 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.835 -4.935 -28.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 17.329 -5.470 -32.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.784 -3.658 -28.900 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.534 -3.919 -31.248 1.00 0.00 H new ATOM 571 N TRP A 45 14.411 -8.041 -25.512 1.00 0.00 N ATOM 572 CA TRP A 45 14.083 -7.992 -24.058 1.00 0.00 C ATOM 573 C TRP A 45 14.816 -6.819 -23.407 1.00 0.00 C ATOM 574 O TRP A 45 15.715 -6.238 -23.981 1.00 0.00 O ATOM 575 CB TRP A 45 14.527 -9.284 -23.368 1.00 0.00 C ATOM 576 CG TRP A 45 14.637 -10.400 -24.355 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.646 -10.828 -25.169 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.789 -11.247 -24.630 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.117 -11.885 -25.928 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.434 -12.180 -25.631 1.00 0.00 C ATOM 581 CE3 TRP A 45 17.096 -11.294 -24.112 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.343 -13.127 -26.101 1.00 0.00 C ATOM 583 CZ3 TRP A 45 18.014 -12.245 -24.583 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.638 -13.161 -25.575 1.00 0.00 C ATOM 0 H TRP A 45 15.384 -7.841 -25.746 1.00 0.00 H new ATOM 0 HA TRP A 45 13.005 -7.872 -23.951 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.489 -9.129 -22.879 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.812 -9.550 -22.589 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.650 -10.413 -25.219 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.560 -12.385 -26.621 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.395 -10.593 -23.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.049 -13.830 -26.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 19.015 -12.271 -24.179 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.348 -13.892 -25.933 1.00 0.00 H new ATOM 595 N LYS A 46 14.453 -6.483 -22.202 1.00 0.00 N ATOM 596 CA LYS A 46 15.141 -5.367 -21.498 1.00 0.00 C ATOM 597 C LYS A 46 15.956 -5.953 -20.346 1.00 0.00 C ATOM 598 O LYS A 46 15.425 -6.578 -19.450 1.00 0.00 O ATOM 599 CB LYS A 46 14.105 -4.382 -20.959 1.00 0.00 C ATOM 600 CG LYS A 46 14.701 -2.974 -20.932 1.00 0.00 C ATOM 601 CD LYS A 46 13.656 -1.989 -20.403 1.00 0.00 C ATOM 602 CE LYS A 46 13.993 -0.579 -20.892 1.00 0.00 C ATOM 603 NZ LYS A 46 13.465 -0.392 -22.272 1.00 0.00 N ATOM 0 H LYS A 46 13.707 -6.935 -21.673 1.00 0.00 H new ATOM 0 HA LYS A 46 15.800 -4.837 -22.186 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.213 -4.398 -21.585 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.796 -4.676 -19.956 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.588 -2.955 -20.299 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.018 -2.682 -21.933 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.662 -2.277 -20.746 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.636 -2.013 -19.313 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.559 0.163 -20.222 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.072 -0.427 -20.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.963 0.517 -22.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.254 -0.397 -22.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.808 -1.166 -22.500 1.00 0.00 H new ATOM 617 N ALA A 47 17.246 -5.773 -20.373 1.00 0.00 N ATOM 618 CA ALA A 47 18.099 -6.338 -19.291 1.00 0.00 C ATOM 619 C ALA A 47 18.766 -5.216 -18.495 1.00 0.00 C ATOM 620 O ALA A 47 18.484 -4.050 -18.680 1.00 0.00 O ATOM 621 CB ALA A 47 19.177 -7.231 -19.909 1.00 0.00 C ATOM 0 H ALA A 47 17.747 -5.259 -21.098 1.00 0.00 H new ATOM 0 HA ALA A 47 17.472 -6.923 -18.618 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.803 -7.646 -19.119 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.704 -8.043 -20.461 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.793 -6.641 -20.588 1.00 0.00 H new ATOM 627 N LYS A 48 19.656 -5.572 -17.608 1.00 0.00 N ATOM 628 CA LYS A 48 20.357 -4.545 -16.787 1.00 0.00 C ATOM 629 C LYS A 48 21.824 -4.950 -16.625 1.00 0.00 C ATOM 630 O LYS A 48 22.156 -6.120 -16.637 1.00 0.00 O ATOM 631 CB LYS A 48 19.696 -4.453 -15.411 1.00 0.00 C ATOM 632 CG LYS A 48 20.052 -3.114 -14.761 1.00 0.00 C ATOM 633 CD LYS A 48 19.836 -3.208 -13.249 1.00 0.00 C ATOM 634 CE LYS A 48 18.521 -2.518 -12.879 1.00 0.00 C ATOM 635 NZ LYS A 48 18.679 -1.816 -11.574 1.00 0.00 N ATOM 0 H LYS A 48 19.929 -6.536 -17.416 1.00 0.00 H new ATOM 0 HA LYS A 48 20.296 -3.575 -17.280 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.614 -4.545 -15.509 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.031 -5.276 -14.780 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.089 -2.858 -14.976 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.434 -2.319 -15.179 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.811 -4.253 -12.938 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.667 -2.738 -12.722 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.240 -1.806 -13.655 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.718 -3.252 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.786 -1.347 -11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.928 -2.506 -10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.434 -1.105 -11.652 1.00 0.00 H new ATOM 649 N SER A 49 22.708 -3.999 -16.489 1.00 0.00 N ATOM 650 CA SER A 49 24.150 -4.348 -16.344 1.00 0.00 C ATOM 651 C SER A 49 24.499 -4.506 -14.863 1.00 0.00 C ATOM 652 O SER A 49 24.257 -3.623 -14.065 1.00 0.00 O ATOM 653 CB SER A 49 25.007 -3.236 -16.953 1.00 0.00 C ATOM 654 OG SER A 49 26.324 -3.312 -16.427 1.00 0.00 O ATOM 0 H SER A 49 22.496 -3.001 -16.472 1.00 0.00 H new ATOM 0 HA SER A 49 24.346 -5.287 -16.862 1.00 0.00 H new ATOM 0 HB2 SER A 49 25.031 -3.334 -18.038 1.00 0.00 H new ATOM 0 HB3 SER A 49 24.570 -2.262 -16.730 1.00 0.00 H new ATOM 0 HG SER A 49 26.942 -2.839 -17.022 1.00 0.00 H new ATOM 660 N LEU A 50 25.063 -5.619 -14.486 1.00 0.00 N ATOM 661 CA LEU A 50 25.418 -5.816 -13.052 1.00 0.00 C ATOM 662 C LEU A 50 26.568 -4.876 -12.680 1.00 0.00 C ATOM 663 O LEU A 50 26.888 -4.697 -11.522 1.00 0.00 O ATOM 664 CB LEU A 50 25.847 -7.266 -12.824 1.00 0.00 C ATOM 665 CG LEU A 50 25.071 -7.847 -11.641 1.00 0.00 C ATOM 666 CD1 LEU A 50 23.725 -8.387 -12.129 1.00 0.00 C ATOM 667 CD2 LEU A 50 25.878 -8.982 -11.009 1.00 0.00 C ATOM 0 H LEU A 50 25.293 -6.397 -15.104 1.00 0.00 H new ATOM 0 HA LEU A 50 24.551 -5.595 -12.429 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.660 -7.857 -13.721 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.918 -7.313 -12.628 1.00 0.00 H new ATOM 0 HG LEU A 50 24.901 -7.066 -10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.172 -8.801 -11.286 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.150 -7.578 -12.578 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.894 -9.168 -12.871 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.325 -9.396 -10.166 1.00 0.00 H new ATOM 0 HD22 LEU A 50 26.049 -9.763 -11.750 1.00 0.00 H new ATOM 0 HD23 LEU A 50 26.836 -8.597 -10.660 1.00 0.00 H new ATOM 679 N LEU A 51 27.194 -4.276 -13.657 1.00 0.00 N ATOM 680 CA LEU A 51 28.325 -3.350 -13.367 1.00 0.00 C ATOM 681 C LEU A 51 27.780 -1.966 -13.013 1.00 0.00 C ATOM 682 O LEU A 51 28.075 -1.418 -11.970 1.00 0.00 O ATOM 683 CB LEU A 51 29.223 -3.242 -14.602 1.00 0.00 C ATOM 684 CG LEU A 51 30.233 -2.111 -14.401 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.199 -2.484 -13.275 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.020 -1.894 -15.696 1.00 0.00 C ATOM 0 H LEU A 51 26.970 -4.388 -14.646 1.00 0.00 H new ATOM 0 HA LEU A 51 28.902 -3.737 -12.527 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.745 -4.184 -14.769 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.619 -3.051 -15.489 1.00 0.00 H new ATOM 0 HG LEU A 51 29.705 -1.195 -14.138 1.00 0.00 H new ATOM 0 HD11 LEU A 51 31.919 -1.678 -13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.640 -2.640 -12.352 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.728 -3.400 -13.538 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.740 -1.088 -15.554 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.548 -2.810 -15.959 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.333 -1.629 -16.499 1.00 0.00 H new ATOM 698 N THR A 52 26.985 -1.400 -13.874 1.00 0.00 N ATOM 699 CA THR A 52 26.415 -0.052 -13.592 1.00 0.00 C ATOM 700 C THR A 52 24.922 -0.188 -13.291 1.00 0.00 C ATOM 701 O THR A 52 24.211 0.790 -13.167 1.00 0.00 O ATOM 702 CB THR A 52 26.614 0.855 -14.809 1.00 0.00 C ATOM 703 OG1 THR A 52 25.734 1.967 -14.717 1.00 0.00 O ATOM 704 CG2 THR A 52 26.316 0.069 -16.086 1.00 0.00 C ATOM 0 H THR A 52 26.703 -1.812 -14.764 1.00 0.00 H new ATOM 0 HA THR A 52 26.922 0.386 -12.732 1.00 0.00 H new ATOM 0 HB THR A 52 27.645 1.209 -14.836 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.303 1.971 -13.837 1.00 0.00 H new ATOM 0 HG21 THR A 52 26.458 0.715 -16.952 1.00 0.00 H new ATOM 0 HG22 THR A 52 26.992 -0.783 -16.155 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.286 -0.286 -16.063 1.00 0.00 H new ATOM 712 N LYS A 53 24.443 -1.394 -13.166 1.00 0.00 N ATOM 713 CA LYS A 53 22.999 -1.602 -12.865 1.00 0.00 C ATOM 714 C LYS A 53 22.142 -0.803 -13.845 1.00 0.00 C ATOM 715 O LYS A 53 21.014 -0.457 -13.555 1.00 0.00 O ATOM 716 CB LYS A 53 22.707 -1.136 -11.438 1.00 0.00 C ATOM 717 CG LYS A 53 23.846 -1.575 -10.516 1.00 0.00 C ATOM 718 CD LYS A 53 23.317 -1.733 -9.089 1.00 0.00 C ATOM 719 CE LYS A 53 23.350 -0.378 -8.380 1.00 0.00 C ATOM 720 NZ LYS A 53 23.000 -0.560 -6.943 1.00 0.00 N ATOM 0 H LYS A 53 24.992 -2.249 -13.260 1.00 0.00 H new ATOM 0 HA LYS A 53 22.761 -2.661 -12.963 1.00 0.00 H new ATOM 0 HB2 LYS A 53 22.601 -0.051 -11.412 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.762 -1.556 -11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 53 24.268 -2.518 -10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 53 24.650 -0.839 -10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 53 22.298 -2.121 -9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 53 23.923 -2.456 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 53 24.341 0.068 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 53 22.647 0.309 -8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 23.022 0.361 -6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 22.046 -0.967 -6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 23.687 -1.201 -6.497 1.00 0.00 H new ATOM 734 N LYS A 54 22.656 -0.518 -15.008 1.00 0.00 N ATOM 735 CA LYS A 54 21.851 0.244 -16.000 1.00 0.00 C ATOM 736 C LYS A 54 20.925 -0.732 -16.720 1.00 0.00 C ATOM 737 O LYS A 54 21.281 -1.867 -16.963 1.00 0.00 O ATOM 738 CB LYS A 54 22.781 0.915 -17.013 1.00 0.00 C ATOM 739 CG LYS A 54 22.330 2.359 -17.238 1.00 0.00 C ATOM 740 CD LYS A 54 23.360 3.087 -18.104 1.00 0.00 C ATOM 741 CE LYS A 54 22.786 4.430 -18.559 1.00 0.00 C ATOM 742 NZ LYS A 54 21.566 4.195 -19.382 1.00 0.00 N ATOM 0 H LYS A 54 23.594 -0.778 -15.313 1.00 0.00 H new ATOM 0 HA LYS A 54 21.266 1.014 -15.496 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.808 0.896 -16.649 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.767 0.367 -17.955 1.00 0.00 H new ATOM 0 HG2 LYS A 54 21.354 2.375 -17.724 1.00 0.00 H new ATOM 0 HG3 LYS A 54 22.218 2.869 -16.281 1.00 0.00 H new ATOM 0 HD2 LYS A 54 24.279 3.245 -17.540 1.00 0.00 H new ATOM 0 HD3 LYS A 54 23.618 2.478 -18.970 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.541 5.045 -17.693 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.529 4.978 -19.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.438 4.985 -20.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.672 3.308 -19.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 20.735 4.127 -18.760 1.00 0.00 H new ATOM 756 N GLU A 55 19.740 -0.312 -17.063 1.00 0.00 N ATOM 757 CA GLU A 55 18.807 -1.237 -17.762 1.00 0.00 C ATOM 758 C GLU A 55 18.426 -0.646 -19.120 1.00 0.00 C ATOM 759 O GLU A 55 18.312 0.554 -19.277 1.00 0.00 O ATOM 760 CB GLU A 55 17.549 -1.433 -16.913 1.00 0.00 C ATOM 761 CG GLU A 55 16.752 -2.626 -17.445 1.00 0.00 C ATOM 762 CD GLU A 55 15.313 -2.546 -16.933 1.00 0.00 C ATOM 763 OE1 GLU A 55 15.120 -2.033 -15.844 1.00 0.00 O ATOM 764 OE2 GLU A 55 14.428 -3.000 -17.640 1.00 0.00 O ATOM 0 H GLU A 55 19.379 0.626 -16.891 1.00 0.00 H new ATOM 0 HA GLU A 55 19.294 -2.201 -17.911 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.823 -1.601 -15.872 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.936 -0.532 -16.940 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.762 -2.627 -18.535 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.213 -3.559 -17.121 1.00 0.00 H new ATOM 771 N GLY A 56 18.234 -1.480 -20.104 1.00 0.00 N ATOM 772 CA GLY A 56 17.869 -0.967 -21.453 1.00 0.00 C ATOM 773 C GLY A 56 17.339 -2.116 -22.306 1.00 0.00 C ATOM 774 O GLY A 56 17.051 -3.189 -21.815 1.00 0.00 O ATOM 0 H GLY A 56 18.314 -2.494 -20.032 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.113 -0.186 -21.365 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.739 -0.516 -21.930 1.00 0.00 H new ATOM 778 N PHE A 57 17.213 -1.901 -23.583 1.00 0.00 N ATOM 779 CA PHE A 57 16.704 -2.983 -24.468 1.00 0.00 C ATOM 780 C PHE A 57 17.884 -3.707 -25.118 1.00 0.00 C ATOM 781 O PHE A 57 18.813 -3.095 -25.606 1.00 0.00 O ATOM 782 CB PHE A 57 15.804 -2.384 -25.551 1.00 0.00 C ATOM 783 CG PHE A 57 14.526 -3.185 -25.647 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.904 -3.653 -24.483 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.964 -3.458 -26.899 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.719 -4.394 -24.573 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.780 -4.199 -26.989 1.00 0.00 C ATOM 788 CZ PHE A 57 12.157 -4.667 -25.826 1.00 0.00 C ATOM 0 H PHE A 57 17.440 -1.024 -24.053 1.00 0.00 H new ATOM 0 HA PHE A 57 16.126 -3.693 -23.876 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.577 -1.344 -25.315 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.321 -2.388 -26.511 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.338 -3.443 -23.517 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.444 -3.097 -27.796 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.239 -4.755 -23.676 1.00 0.00 H new ATOM 0 HE2 PHE A 57 12.347 -4.410 -27.956 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.243 -5.238 -25.895 1.00 0.00 H new ATOM 798 N ILE A 58 17.850 -5.010 -25.123 1.00 0.00 N ATOM 799 CA ILE A 58 18.965 -5.789 -25.737 1.00 0.00 C ATOM 800 C ILE A 58 18.393 -6.762 -26.769 1.00 0.00 C ATOM 801 O ILE A 58 17.336 -7.328 -26.573 1.00 0.00 O ATOM 802 CB ILE A 58 19.689 -6.580 -24.645 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.686 -7.474 -23.911 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.330 -5.609 -23.652 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.421 -8.664 -23.292 1.00 0.00 C ATOM 0 H ILE A 58 17.096 -5.572 -24.727 1.00 0.00 H new ATOM 0 HA ILE A 58 19.664 -5.108 -26.223 1.00 0.00 H new ATOM 0 HB ILE A 58 20.463 -7.200 -25.098 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.175 -6.904 -23.134 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.921 -7.826 -24.604 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.846 -6.172 -22.874 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.045 -4.973 -24.175 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.557 -4.989 -23.199 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.707 -9.301 -22.769 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.911 -9.238 -24.078 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.169 -8.303 -22.587 1.00 0.00 H new ATOM 817 N PRO A 59 19.102 -6.963 -27.892 1.00 0.00 N ATOM 818 CA PRO A 59 18.644 -7.874 -28.942 1.00 0.00 C ATOM 819 C PRO A 59 18.858 -9.333 -28.528 1.00 0.00 C ATOM 820 O PRO A 59 19.677 -9.622 -27.678 1.00 0.00 O ATOM 821 CB PRO A 59 19.532 -7.526 -30.133 1.00 0.00 C ATOM 822 CG PRO A 59 20.775 -6.951 -29.534 1.00 0.00 C ATOM 823 CD PRO A 59 20.387 -6.324 -28.220 1.00 0.00 C ATOM 0 HA PRO A 59 17.580 -7.769 -29.155 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.754 -8.410 -30.731 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.044 -6.809 -30.793 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.524 -7.728 -29.383 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.215 -6.208 -30.200 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.135 -6.512 -27.450 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.285 -5.242 -28.307 1.00 0.00 H new ATOM 831 N SER A 60 18.138 -10.259 -29.098 1.00 0.00 N ATOM 832 CA SER A 60 18.331 -11.678 -28.693 1.00 0.00 C ATOM 833 C SER A 60 19.410 -12.333 -29.560 1.00 0.00 C ATOM 834 O SER A 60 19.394 -13.528 -29.782 1.00 0.00 O ATOM 835 CB SER A 60 17.016 -12.436 -28.845 1.00 0.00 C ATOM 836 OG SER A 60 17.204 -13.790 -28.462 1.00 0.00 O ATOM 0 H SER A 60 17.433 -10.098 -29.817 1.00 0.00 H new ATOM 0 HA SER A 60 18.650 -11.710 -27.651 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.245 -11.976 -28.227 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.671 -12.383 -29.878 1.00 0.00 H new ATOM 0 HG SER A 60 17.437 -13.832 -27.511 1.00 0.00 H new ATOM 842 N ASN A 61 20.353 -11.571 -30.042 1.00 0.00 N ATOM 843 CA ASN A 61 21.430 -12.171 -30.880 1.00 0.00 C ATOM 844 C ASN A 61 22.785 -11.582 -30.477 1.00 0.00 C ATOM 845 O ASN A 61 23.812 -11.939 -31.020 1.00 0.00 O ATOM 846 CB ASN A 61 21.162 -11.879 -32.355 1.00 0.00 C ATOM 847 CG ASN A 61 21.944 -12.867 -33.222 1.00 0.00 C ATOM 848 OD1 ASN A 61 21.306 -13.829 -33.832 1.00 0.00 O flip ATOM 849 ND2 ASN A 61 23.148 -12.764 -33.346 1.00 0.00 N flip ATOM 0 H ASN A 61 20.425 -10.564 -29.893 1.00 0.00 H new ATOM 0 HA ASN A 61 21.445 -13.250 -30.725 1.00 0.00 H new ATOM 0 HB2 ASN A 61 20.095 -11.960 -32.565 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.457 -10.857 -32.594 1.00 0.00 H new ATOM 0 HD21 ASN A 61 23.647 -12.013 -32.870 1.00 0.00 H new ATOM 0 HD22 ASN A 61 23.660 -13.429 -33.926 1.00 0.00 H new ATOM 856 N TYR A 62 22.800 -10.691 -29.524 1.00 0.00 N ATOM 857 CA TYR A 62 24.092 -10.092 -29.084 1.00 0.00 C ATOM 858 C TYR A 62 24.475 -10.667 -27.717 1.00 0.00 C ATOM 859 O TYR A 62 25.634 -10.718 -27.356 1.00 0.00 O ATOM 860 CB TYR A 62 23.945 -8.574 -28.975 1.00 0.00 C ATOM 861 CG TYR A 62 24.064 -7.955 -30.347 1.00 0.00 C ATOM 862 CD1 TYR A 62 23.154 -8.302 -31.353 1.00 0.00 C ATOM 863 CD2 TYR A 62 25.085 -7.035 -30.614 1.00 0.00 C ATOM 864 CE1 TYR A 62 23.265 -7.728 -32.626 1.00 0.00 C ATOM 865 CE2 TYR A 62 25.196 -6.461 -31.887 1.00 0.00 C ATOM 866 CZ TYR A 62 24.286 -6.808 -32.893 1.00 0.00 C ATOM 867 OH TYR A 62 24.395 -6.243 -34.147 1.00 0.00 O ATOM 0 H TYR A 62 21.974 -10.352 -29.031 1.00 0.00 H new ATOM 0 HA TYR A 62 24.868 -10.327 -29.812 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.981 -8.322 -28.534 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.713 -8.170 -28.315 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.367 -9.012 -31.148 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.787 -6.768 -29.838 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.563 -7.995 -33.402 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.983 -5.751 -32.092 1.00 0.00 H new ATOM 0 HH TYR A 62 25.156 -5.626 -34.163 1.00 0.00 H new ATOM 877 N VAL A 63 23.507 -11.101 -26.955 1.00 0.00 N ATOM 878 CA VAL A 63 23.809 -11.676 -25.612 1.00 0.00 C ATOM 879 C VAL A 63 23.239 -13.092 -25.523 1.00 0.00 C ATOM 880 O VAL A 63 22.415 -13.491 -26.322 1.00 0.00 O ATOM 881 CB VAL A 63 23.167 -10.806 -24.530 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.657 -9.365 -24.676 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.644 -10.847 -24.681 1.00 0.00 C ATOM 0 H VAL A 63 22.518 -11.082 -27.205 1.00 0.00 H new ATOM 0 HA VAL A 63 24.889 -11.707 -25.466 1.00 0.00 H new ATOM 0 HB VAL A 63 23.445 -11.185 -23.546 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.199 -8.745 -23.905 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.741 -9.337 -24.568 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.380 -8.984 -25.659 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.185 -10.227 -23.910 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.366 -10.468 -25.665 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.295 -11.874 -24.576 1.00 0.00 H new