USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=9 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 -86:sc= -0.412 USER MOD Single : A 23 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=-0.0066) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0238 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 -174:sc= -9.22! (180deg=-11.3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -8.48! C(o=-11!,f=-8.5!) 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 160:sc= 0.188 USER MOD Single : A 52 THR OG1 : rot 23:sc= 0.473! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -91:sc= 0.353 USER MOD Single : A 61 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 15.911 -14.205 -16.193 1.00 0.00 N ATOM 26 CA ASP A 11 17.051 -15.084 -16.580 1.00 0.00 C ATOM 27 C ASP A 11 18.339 -14.258 -16.623 1.00 0.00 C ATOM 28 O ASP A 11 18.309 -13.048 -16.716 1.00 0.00 O ATOM 29 CB ASP A 11 16.784 -15.686 -17.961 1.00 0.00 C ATOM 30 CG ASP A 11 16.788 -17.214 -17.860 1.00 0.00 C ATOM 31 OD1 ASP A 11 16.318 -17.722 -16.856 1.00 0.00 O ATOM 32 OD2 ASP A 11 17.261 -17.847 -18.790 1.00 0.00 O ATOM 0 HA ASP A 11 17.158 -15.885 -15.849 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.824 -15.338 -18.342 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.546 -15.355 -18.667 1.00 0.00 H new ATOM 37 N ILE A 12 19.472 -14.904 -16.554 1.00 0.00 N ATOM 38 CA ILE A 12 20.761 -14.155 -16.591 1.00 0.00 C ATOM 39 C ILE A 12 21.469 -14.419 -17.921 1.00 0.00 C ATOM 40 O ILE A 12 21.565 -15.543 -18.371 1.00 0.00 O ATOM 41 CB ILE A 12 21.652 -14.620 -15.437 1.00 0.00 C ATOM 42 CG1 ILE A 12 21.059 -14.143 -14.109 1.00 0.00 C ATOM 43 CG2 ILE A 12 23.055 -14.036 -15.609 1.00 0.00 C ATOM 44 CD1 ILE A 12 21.066 -12.614 -14.068 1.00 0.00 C ATOM 0 H ILE A 12 19.561 -15.917 -16.474 1.00 0.00 H new ATOM 0 HA ILE A 12 20.564 -13.088 -16.492 1.00 0.00 H new ATOM 0 HB ILE A 12 21.709 -15.709 -15.438 1.00 0.00 H new ATOM 0 HG12 ILE A 12 20.041 -14.516 -13.998 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.637 -14.543 -13.276 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.690 -14.367 -14.787 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.478 -14.377 -16.554 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.999 -12.947 -15.608 1.00 0.00 H new ATOM 0 HD11 ILE A 12 20.644 -12.273 -13.123 1.00 0.00 H new ATOM 0 HD12 ILE A 12 22.090 -12.252 -14.159 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.469 -12.225 -14.893 1.00 0.00 H new ATOM 56 N VAL A 13 21.959 -13.391 -18.558 1.00 0.00 N ATOM 57 CA VAL A 13 22.653 -13.578 -19.861 1.00 0.00 C ATOM 58 C VAL A 13 23.984 -12.829 -19.833 1.00 0.00 C ATOM 59 O VAL A 13 24.163 -11.898 -19.073 1.00 0.00 O ATOM 60 CB VAL A 13 21.780 -13.010 -20.983 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.783 -14.077 -21.444 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.016 -11.789 -20.467 1.00 0.00 C ATOM 0 H VAL A 13 21.908 -12.427 -18.230 1.00 0.00 H new ATOM 0 HA VAL A 13 22.831 -14.639 -20.034 1.00 0.00 H new ATOM 0 HB VAL A 13 22.412 -12.716 -21.821 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.161 -13.673 -22.243 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.326 -14.948 -21.812 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.151 -14.371 -20.606 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.394 -11.384 -21.266 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.384 -12.083 -19.629 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.724 -11.029 -20.138 1.00 0.00 H new ATOM 72 N VAL A 14 24.917 -13.213 -20.658 1.00 0.00 N ATOM 73 CA VAL A 14 26.223 -12.500 -20.668 1.00 0.00 C ATOM 74 C VAL A 14 26.407 -11.817 -22.021 1.00 0.00 C ATOM 75 O VAL A 14 26.167 -12.398 -23.061 1.00 0.00 O ATOM 76 CB VAL A 14 27.362 -13.489 -20.420 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.519 -14.402 -21.638 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.665 -12.719 -20.190 1.00 0.00 C ATOM 0 H VAL A 14 24.833 -13.984 -21.321 1.00 0.00 H new ATOM 0 HA VAL A 14 26.236 -11.751 -19.876 1.00 0.00 H new ATOM 0 HB VAL A 14 27.135 -14.091 -19.540 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.331 -15.107 -21.462 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.592 -14.950 -21.804 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.746 -13.800 -22.517 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.478 -13.424 -20.013 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.892 -12.117 -21.070 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.554 -12.068 -19.323 1.00 0.00 H new ATOM 88 N ALA A 15 26.822 -10.582 -22.015 1.00 0.00 N ATOM 89 CA ALA A 15 27.013 -9.852 -23.297 1.00 0.00 C ATOM 90 C ALA A 15 27.916 -10.661 -24.228 1.00 0.00 C ATOM 91 O ALA A 15 29.089 -10.844 -23.967 1.00 0.00 O ATOM 92 CB ALA A 15 27.662 -8.495 -23.017 1.00 0.00 C ATOM 0 H ALA A 15 27.038 -10.046 -21.175 1.00 0.00 H new ATOM 0 HA ALA A 15 26.044 -9.706 -23.774 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.803 -7.959 -23.955 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.017 -7.912 -22.359 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.629 -8.646 -22.537 1.00 0.00 H new ATOM 98 N LEU A 16 27.387 -11.124 -25.326 1.00 0.00 N ATOM 99 CA LEU A 16 28.228 -11.893 -26.282 1.00 0.00 C ATOM 100 C LEU A 16 28.942 -10.891 -27.186 1.00 0.00 C ATOM 101 O LEU A 16 30.034 -11.126 -27.660 1.00 0.00 O ATOM 102 CB LEU A 16 27.353 -12.823 -27.127 1.00 0.00 C ATOM 103 CG LEU A 16 26.443 -13.642 -26.209 1.00 0.00 C ATOM 104 CD1 LEU A 16 25.399 -14.378 -27.051 1.00 0.00 C ATOM 105 CD2 LEU A 16 27.282 -14.659 -25.433 1.00 0.00 C ATOM 0 H LEU A 16 26.412 -11.003 -25.601 1.00 0.00 H new ATOM 0 HA LEU A 16 28.950 -12.504 -25.741 1.00 0.00 H new ATOM 0 HB2 LEU A 16 26.753 -12.240 -27.825 1.00 0.00 H new ATOM 0 HB3 LEU A 16 27.979 -13.487 -27.723 1.00 0.00 H new ATOM 0 HG LEU A 16 25.940 -12.976 -25.508 1.00 0.00 H new ATOM 0 HD11 LEU A 16 24.750 -14.962 -26.398 1.00 0.00 H new ATOM 0 HD12 LEU A 16 24.801 -13.654 -27.603 1.00 0.00 H new ATOM 0 HD13 LEU A 16 25.901 -15.044 -27.753 1.00 0.00 H new ATOM 0 HD21 LEU A 16 26.634 -15.242 -24.779 1.00 0.00 H new ATOM 0 HD22 LEU A 16 27.785 -15.325 -26.133 1.00 0.00 H new ATOM 0 HD23 LEU A 16 28.026 -14.135 -24.833 1.00 0.00 H new ATOM 117 N TYR A 17 28.323 -9.766 -27.419 1.00 0.00 N ATOM 118 CA TYR A 17 28.945 -8.726 -28.281 1.00 0.00 C ATOM 119 C TYR A 17 28.727 -7.354 -27.638 1.00 0.00 C ATOM 120 O TYR A 17 27.671 -7.076 -27.104 1.00 0.00 O ATOM 121 CB TYR A 17 28.278 -8.746 -29.659 1.00 0.00 C ATOM 122 CG TYR A 17 28.762 -9.946 -30.437 1.00 0.00 C ATOM 123 CD1 TYR A 17 30.118 -10.067 -30.763 1.00 0.00 C ATOM 124 CD2 TYR A 17 27.856 -10.935 -30.832 1.00 0.00 C ATOM 125 CE1 TYR A 17 30.567 -11.178 -31.486 1.00 0.00 C ATOM 126 CE2 TYR A 17 28.304 -12.048 -31.555 1.00 0.00 C ATOM 127 CZ TYR A 17 29.660 -12.170 -31.881 1.00 0.00 C ATOM 128 OH TYR A 17 30.103 -13.266 -32.593 1.00 0.00 O ATOM 0 H TYR A 17 27.406 -9.523 -27.045 1.00 0.00 H new ATOM 0 HA TYR A 17 30.012 -8.923 -28.388 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.194 -8.784 -29.549 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.512 -7.830 -30.201 1.00 0.00 H new ATOM 0 HD1 TYR A 17 30.817 -9.303 -30.457 1.00 0.00 H new ATOM 0 HD2 TYR A 17 26.810 -10.841 -30.580 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.613 -11.271 -31.739 1.00 0.00 H new ATOM 0 HE2 TYR A 17 27.604 -12.811 -31.861 1.00 0.00 H new ATOM 0 HH TYR A 17 29.346 -13.858 -32.786 1.00 0.00 H new ATOM 138 N PRO A 18 29.737 -6.475 -27.700 1.00 0.00 N ATOM 139 CA PRO A 18 29.649 -5.122 -27.134 1.00 0.00 C ATOM 140 C PRO A 18 28.508 -4.318 -27.766 1.00 0.00 C ATOM 141 O PRO A 18 28.256 -4.401 -28.951 1.00 0.00 O ATOM 142 CB PRO A 18 31.011 -4.509 -27.477 1.00 0.00 C ATOM 143 CG PRO A 18 31.474 -5.311 -28.646 1.00 0.00 C ATOM 144 CD PRO A 18 31.044 -6.711 -28.326 1.00 0.00 C ATOM 0 HA PRO A 18 29.436 -5.126 -26.065 1.00 0.00 H new ATOM 0 HB2 PRO A 18 30.923 -3.452 -27.726 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.706 -4.583 -26.640 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.024 -4.959 -29.574 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.555 -5.245 -28.771 1.00 0.00 H new ATOM 0 HD2 PRO A 18 30.966 -7.331 -29.219 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.739 -7.210 -27.651 1.00 0.00 H new ATOM 152 N TYR A 19 27.806 -3.558 -26.972 1.00 0.00 N ATOM 153 CA TYR A 19 26.664 -2.764 -27.505 1.00 0.00 C ATOM 154 C TYR A 19 26.727 -1.337 -26.963 1.00 0.00 C ATOM 155 O TYR A 19 26.770 -1.126 -25.767 1.00 0.00 O ATOM 156 CB TYR A 19 25.360 -3.412 -27.036 1.00 0.00 C ATOM 157 CG TYR A 19 24.197 -2.854 -27.823 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.560 -1.681 -27.397 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.751 -3.512 -28.975 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.479 -1.168 -28.124 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.671 -3.000 -29.702 1.00 0.00 C ATOM 162 CZ TYR A 19 22.035 -1.828 -29.277 1.00 0.00 C ATOM 163 OH TYR A 19 20.969 -1.322 -29.993 1.00 0.00 O ATOM 0 H TYR A 19 27.975 -3.452 -25.972 1.00 0.00 H new ATOM 0 HA TYR A 19 26.712 -2.740 -28.594 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.413 -4.493 -27.166 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.213 -3.226 -25.972 1.00 0.00 H new ATOM 0 HD1 TYR A 19 23.903 -1.173 -26.508 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.241 -4.417 -29.303 1.00 0.00 H new ATOM 0 HE1 TYR A 19 21.988 -0.264 -27.796 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.328 -3.509 -30.591 1.00 0.00 H new ATOM 0 HH TYR A 19 20.130 -1.655 -29.610 1.00 0.00 H new ATOM 173 N ASP A 20 26.714 -0.351 -27.817 1.00 0.00 N ATOM 174 CA ASP A 20 26.752 1.049 -27.310 1.00 0.00 C ATOM 175 C ASP A 20 25.341 1.632 -27.384 1.00 0.00 C ATOM 176 O ASP A 20 24.822 1.903 -28.447 1.00 0.00 O ATOM 177 CB ASP A 20 27.717 1.890 -28.148 1.00 0.00 C ATOM 178 CG ASP A 20 29.150 1.661 -27.662 1.00 0.00 C ATOM 179 OD1 ASP A 20 29.645 0.560 -27.837 1.00 0.00 O ATOM 180 OD2 ASP A 20 29.727 2.590 -27.122 1.00 0.00 O ATOM 0 H ASP A 20 26.679 -0.452 -28.831 1.00 0.00 H new ATOM 0 HA ASP A 20 27.102 1.059 -26.278 1.00 0.00 H new ATOM 0 HB2 ASP A 20 27.631 1.620 -29.201 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.459 2.946 -28.068 1.00 0.00 H new ATOM 185 N GLY A 21 24.716 1.799 -26.248 1.00 0.00 N ATOM 186 CA GLY A 21 23.326 2.337 -26.204 1.00 0.00 C ATOM 187 C GLY A 21 23.065 3.285 -27.372 1.00 0.00 C ATOM 188 O GLY A 21 23.246 4.482 -27.268 1.00 0.00 O ATOM 0 H GLY A 21 25.117 1.582 -25.336 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.613 1.513 -26.234 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.166 2.863 -25.263 1.00 0.00 H new ATOM 192 N ILE A 22 22.613 2.762 -28.475 1.00 0.00 N ATOM 193 CA ILE A 22 22.305 3.633 -29.640 1.00 0.00 C ATOM 194 C ILE A 22 20.929 4.252 -29.414 1.00 0.00 C ATOM 195 O ILE A 22 20.768 5.456 -29.392 1.00 0.00 O ATOM 196 CB ILE A 22 22.284 2.792 -30.919 1.00 0.00 C ATOM 197 CG1 ILE A 22 23.698 2.298 -31.229 1.00 0.00 C ATOM 198 CG2 ILE A 22 21.777 3.647 -32.083 1.00 0.00 C ATOM 199 CD1 ILE A 22 23.660 1.378 -32.451 1.00 0.00 C ATOM 0 H ILE A 22 22.443 1.767 -28.620 1.00 0.00 H new ATOM 0 HA ILE A 22 23.061 4.411 -29.743 1.00 0.00 H new ATOM 0 HB ILE A 22 21.623 1.937 -30.780 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.357 3.145 -31.418 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.104 1.763 -30.370 1.00 0.00 H new ATOM 0 HG21 ILE A 22 21.762 3.049 -32.994 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.769 4.000 -31.863 1.00 0.00 H new ATOM 0 HG23 ILE A 22 22.438 4.502 -32.221 1.00 0.00 H new ATOM 0 HD11 ILE A 22 24.667 1.026 -32.673 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.014 0.525 -32.244 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.271 1.928 -33.308 1.00 0.00 H new ATOM 211 N HIS A 23 19.938 3.427 -29.243 1.00 0.00 N ATOM 212 CA HIS A 23 18.561 3.942 -29.009 1.00 0.00 C ATOM 213 C HIS A 23 18.501 4.616 -27.638 1.00 0.00 C ATOM 214 O HIS A 23 19.429 4.539 -26.858 1.00 0.00 O ATOM 215 CB HIS A 23 17.571 2.776 -29.057 1.00 0.00 C ATOM 216 CG HIS A 23 17.045 2.625 -30.457 1.00 0.00 C ATOM 217 ND1 HIS A 23 17.808 2.082 -31.478 1.00 0.00 N ATOM 218 CD2 HIS A 23 15.834 2.944 -31.022 1.00 0.00 C ATOM 219 CE1 HIS A 23 17.056 2.089 -32.594 1.00 0.00 C ATOM 220 NE2 HIS A 23 15.844 2.605 -32.372 1.00 0.00 N ATOM 0 H HIS A 23 20.022 2.411 -29.255 1.00 0.00 H new ATOM 0 HA HIS A 23 18.301 4.668 -29.780 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.061 1.855 -28.739 1.00 0.00 H new ATOM 0 HB3 HIS A 23 16.748 2.954 -28.365 1.00 0.00 H new ATOM 0 HD2 HIS A 23 15.001 3.390 -30.498 1.00 0.00 H new ATOM 0 HE1 HIS A 23 17.392 1.722 -33.553 1.00 0.00 H new ATOM 0 HE2 HIS A 23 15.088 2.725 -33.047 1.00 0.00 H new ATOM 228 N PRO A 24 17.383 5.297 -27.340 1.00 0.00 N ATOM 229 CA PRO A 24 17.197 5.994 -26.061 1.00 0.00 C ATOM 230 C PRO A 24 17.076 5.022 -24.883 1.00 0.00 C ATOM 231 O PRO A 24 17.392 5.354 -23.757 1.00 0.00 O ATOM 232 CB PRO A 24 15.879 6.746 -26.254 1.00 0.00 C ATOM 233 CG PRO A 24 15.155 5.967 -27.298 1.00 0.00 C ATOM 234 CD PRO A 24 16.213 5.441 -28.225 1.00 0.00 C ATOM 0 HA PRO A 24 18.044 6.637 -25.823 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.309 6.792 -25.326 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.051 7.774 -26.574 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.585 5.152 -26.852 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.444 6.597 -27.833 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.923 4.489 -28.670 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.410 6.130 -29.046 1.00 0.00 H new ATOM 242 N ASP A 25 16.611 3.829 -25.131 1.00 0.00 N ATOM 243 CA ASP A 25 16.460 2.844 -24.022 1.00 0.00 C ATOM 244 C ASP A 25 17.460 1.697 -24.196 1.00 0.00 C ATOM 245 O ASP A 25 17.601 0.855 -23.332 1.00 0.00 O ATOM 246 CB ASP A 25 15.039 2.278 -24.042 1.00 0.00 C ATOM 247 CG ASP A 25 14.855 1.320 -22.862 1.00 0.00 C ATOM 248 OD1 ASP A 25 15.359 1.626 -21.794 1.00 0.00 O ATOM 249 OD2 ASP A 25 14.213 0.300 -23.046 1.00 0.00 O ATOM 0 H ASP A 25 16.329 3.493 -26.052 1.00 0.00 H new ATOM 0 HA ASP A 25 16.651 3.344 -23.072 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.312 3.088 -23.983 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.858 1.755 -24.981 1.00 0.00 H new ATOM 254 N ASP A 26 18.148 1.649 -25.302 1.00 0.00 N ATOM 255 CA ASP A 26 19.127 0.547 -25.519 1.00 0.00 C ATOM 256 C ASP A 26 20.207 0.591 -24.435 1.00 0.00 C ATOM 257 O ASP A 26 20.878 1.589 -24.262 1.00 0.00 O ATOM 258 CB ASP A 26 19.785 0.718 -26.888 1.00 0.00 C ATOM 259 CG ASP A 26 19.344 -0.420 -27.811 1.00 0.00 C ATOM 260 OD1 ASP A 26 19.960 -1.472 -27.759 1.00 0.00 O ATOM 261 OD2 ASP A 26 18.396 -0.222 -28.553 1.00 0.00 O ATOM 0 H ASP A 26 18.075 2.323 -26.064 1.00 0.00 H new ATOM 0 HA ASP A 26 18.607 -0.410 -25.473 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.507 1.679 -27.320 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.870 0.717 -26.785 1.00 0.00 H new ATOM 266 N LEU A 27 20.395 -0.479 -23.711 1.00 0.00 N ATOM 267 CA LEU A 27 21.447 -0.482 -22.656 1.00 0.00 C ATOM 268 C LEU A 27 22.758 -0.971 -23.278 1.00 0.00 C ATOM 269 O LEU A 27 22.784 -1.936 -24.015 1.00 0.00 O ATOM 270 CB LEU A 27 21.015 -1.400 -21.502 1.00 0.00 C ATOM 271 CG LEU A 27 22.228 -1.840 -20.674 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.965 -2.968 -21.398 1.00 0.00 C ATOM 273 CD2 LEU A 27 23.174 -0.655 -20.466 1.00 0.00 C ATOM 0 H LEU A 27 19.868 -1.347 -23.804 1.00 0.00 H new ATOM 0 HA LEU A 27 21.591 0.522 -22.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.303 -0.878 -20.863 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.503 -2.276 -21.900 1.00 0.00 H new ATOM 0 HG LEU A 27 21.886 -2.198 -19.703 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.826 -3.278 -20.807 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.292 -3.815 -21.531 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.302 -2.615 -22.373 1.00 0.00 H new ATOM 0 HD21 LEU A 27 24.034 -0.975 -19.877 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.514 -0.287 -21.434 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.649 0.142 -19.939 1.00 0.00 H new ATOM 285 N SER A 28 23.843 -0.300 -23.002 1.00 0.00 N ATOM 286 CA SER A 28 25.151 -0.707 -23.594 1.00 0.00 C ATOM 287 C SER A 28 25.789 -1.829 -22.771 1.00 0.00 C ATOM 288 O SER A 28 25.826 -1.781 -21.558 1.00 0.00 O ATOM 289 CB SER A 28 26.091 0.500 -23.602 1.00 0.00 C ATOM 290 OG SER A 28 26.975 0.421 -22.493 1.00 0.00 O ATOM 0 H SER A 28 23.881 0.515 -22.390 1.00 0.00 H new ATOM 0 HA SER A 28 24.982 -1.066 -24.609 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.659 0.526 -24.532 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.514 1.424 -23.555 1.00 0.00 H new ATOM 0 HG SER A 28 27.578 1.194 -22.499 1.00 0.00 H new ATOM 296 N PHE A 29 26.322 -2.824 -23.428 1.00 0.00 N ATOM 297 CA PHE A 29 26.991 -3.929 -22.690 1.00 0.00 C ATOM 298 C PHE A 29 28.270 -4.314 -23.436 1.00 0.00 C ATOM 299 O PHE A 29 28.342 -4.224 -24.645 1.00 0.00 O ATOM 300 CB PHE A 29 26.060 -5.144 -22.573 1.00 0.00 C ATOM 301 CG PHE A 29 25.318 -5.387 -23.867 1.00 0.00 C ATOM 302 CD1 PHE A 29 24.074 -4.783 -24.088 1.00 0.00 C ATOM 303 CD2 PHE A 29 25.861 -6.240 -24.835 1.00 0.00 C ATOM 304 CE1 PHE A 29 23.376 -5.030 -25.276 1.00 0.00 C ATOM 305 CE2 PHE A 29 25.161 -6.491 -26.021 1.00 0.00 C ATOM 306 CZ PHE A 29 23.918 -5.885 -26.242 1.00 0.00 C ATOM 0 H PHE A 29 26.322 -2.918 -24.444 1.00 0.00 H new ATOM 0 HA PHE A 29 27.236 -3.595 -21.682 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.642 -6.028 -22.312 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.346 -4.983 -21.765 1.00 0.00 H new ATOM 0 HD1 PHE A 29 23.653 -4.126 -23.341 1.00 0.00 H new ATOM 0 HD2 PHE A 29 26.821 -6.705 -24.667 1.00 0.00 H new ATOM 0 HE1 PHE A 29 22.419 -4.560 -25.447 1.00 0.00 H new ATOM 0 HE2 PHE A 29 25.580 -7.152 -26.766 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.378 -6.077 -27.157 1.00 0.00 H new ATOM 316 N LYS A 30 29.286 -4.724 -22.728 1.00 0.00 N ATOM 317 CA LYS A 30 30.563 -5.093 -23.402 1.00 0.00 C ATOM 318 C LYS A 30 30.761 -6.606 -23.344 1.00 0.00 C ATOM 319 O LYS A 30 30.377 -7.252 -22.390 1.00 0.00 O ATOM 320 CB LYS A 30 31.726 -4.410 -22.677 1.00 0.00 C ATOM 321 CG LYS A 30 31.810 -2.947 -23.114 1.00 0.00 C ATOM 322 CD LYS A 30 32.134 -2.880 -24.608 1.00 0.00 C ATOM 323 CE LYS A 30 33.424 -2.083 -24.815 1.00 0.00 C ATOM 324 NZ LYS A 30 33.237 -1.117 -25.935 1.00 0.00 N ATOM 0 H LYS A 30 29.287 -4.819 -21.712 1.00 0.00 H new ATOM 0 HA LYS A 30 30.528 -4.772 -24.443 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.582 -4.471 -21.598 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.661 -4.923 -22.903 1.00 0.00 H new ATOM 0 HG2 LYS A 30 30.866 -2.441 -22.912 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.578 -2.428 -22.541 1.00 0.00 H new ATOM 0 HD2 LYS A 30 32.247 -3.886 -25.012 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.313 -2.410 -25.148 1.00 0.00 H new ATOM 0 HE2 LYS A 30 33.686 -1.550 -23.901 1.00 0.00 H new ATOM 0 HE3 LYS A 30 34.250 -2.759 -25.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 34.113 -0.575 -26.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 33.007 -1.636 -26.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 32.460 -0.465 -25.705 1.00 0.00 H new ATOM 338 N LYS A 31 31.368 -7.185 -24.347 1.00 0.00 N ATOM 339 CA LYS A 31 31.589 -8.654 -24.308 1.00 0.00 C ATOM 340 C LYS A 31 32.140 -9.026 -22.933 1.00 0.00 C ATOM 341 O LYS A 31 32.793 -8.239 -22.277 1.00 0.00 O ATOM 342 CB LYS A 31 32.597 -9.082 -25.369 1.00 0.00 C ATOM 343 CG LYS A 31 31.863 -9.601 -26.605 1.00 0.00 C ATOM 344 CD LYS A 31 32.499 -10.917 -27.059 1.00 0.00 C ATOM 345 CE LYS A 31 34.012 -10.732 -27.199 1.00 0.00 C ATOM 346 NZ LYS A 31 34.306 -9.949 -28.432 1.00 0.00 N ATOM 0 H LYS A 31 31.715 -6.709 -25.180 1.00 0.00 H new ATOM 0 HA LYS A 31 30.642 -9.158 -24.501 1.00 0.00 H new ATOM 0 HB2 LYS A 31 33.233 -8.239 -25.640 1.00 0.00 H new ATOM 0 HB3 LYS A 31 33.250 -9.858 -24.970 1.00 0.00 H new ATOM 0 HG2 LYS A 31 30.808 -9.754 -26.378 1.00 0.00 H new ATOM 0 HG3 LYS A 31 31.913 -8.865 -27.407 1.00 0.00 H new ATOM 0 HD2 LYS A 31 32.284 -11.705 -26.337 1.00 0.00 H new ATOM 0 HD3 LYS A 31 32.071 -11.231 -28.011 1.00 0.00 H new ATOM 0 HE2 LYS A 31 34.408 -10.216 -26.325 1.00 0.00 H new ATOM 0 HE3 LYS A 31 34.505 -11.703 -27.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 35.334 -9.824 -28.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 33.941 -10.459 -29.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 33.848 -9.017 -28.369 1.00 0.00 H new ATOM 360 N GLY A 32 31.873 -10.220 -22.492 1.00 0.00 N ATOM 361 CA GLY A 32 32.369 -10.656 -21.156 1.00 0.00 C ATOM 362 C GLY A 32 31.499 -10.041 -20.050 1.00 0.00 C ATOM 363 O GLY A 32 31.541 -10.462 -18.911 1.00 0.00 O ATOM 0 H GLY A 32 31.330 -10.918 -23.000 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.346 -11.744 -21.087 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.407 -10.351 -21.026 1.00 0.00 H new ATOM 367 N GLU A 33 30.710 -9.049 -20.374 1.00 0.00 N ATOM 368 CA GLU A 33 29.844 -8.413 -19.338 1.00 0.00 C ATOM 369 C GLU A 33 28.567 -9.238 -19.156 1.00 0.00 C ATOM 370 O GLU A 33 28.096 -9.889 -20.067 1.00 0.00 O ATOM 371 CB GLU A 33 29.481 -6.992 -19.771 1.00 0.00 C ATOM 372 CG GLU A 33 29.346 -6.100 -18.535 1.00 0.00 C ATOM 373 CD GLU A 33 30.590 -5.218 -18.406 1.00 0.00 C ATOM 374 OE1 GLU A 33 30.860 -4.470 -19.331 1.00 0.00 O ATOM 375 OE2 GLU A 33 31.251 -5.306 -17.384 1.00 0.00 O ATOM 0 H GLU A 33 30.628 -8.653 -21.310 1.00 0.00 H new ATOM 0 HA GLU A 33 30.385 -8.374 -18.393 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.248 -6.596 -20.436 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.546 -6.999 -20.331 1.00 0.00 H new ATOM 0 HG2 GLU A 33 28.454 -5.479 -18.617 1.00 0.00 H new ATOM 0 HG3 GLU A 33 29.227 -6.713 -17.642 1.00 0.00 H new ATOM 382 N LYS A 34 28.014 -9.222 -17.970 1.00 0.00 N ATOM 383 CA LYS A 34 26.775 -10.012 -17.704 1.00 0.00 C ATOM 384 C LYS A 34 25.566 -9.081 -17.610 1.00 0.00 C ATOM 385 O LYS A 34 25.652 -7.969 -17.127 1.00 0.00 O ATOM 386 CB LYS A 34 26.928 -10.782 -16.388 1.00 0.00 C ATOM 387 CG LYS A 34 27.955 -10.082 -15.494 1.00 0.00 C ATOM 388 CD LYS A 34 28.049 -10.814 -14.154 1.00 0.00 C ATOM 389 CE LYS A 34 28.488 -12.260 -14.392 1.00 0.00 C ATOM 390 NZ LYS A 34 27.460 -13.188 -13.841 1.00 0.00 N ATOM 0 H LYS A 34 28.369 -8.694 -17.172 1.00 0.00 H new ATOM 0 HA LYS A 34 26.622 -10.714 -18.524 1.00 0.00 H new ATOM 0 HB2 LYS A 34 25.967 -10.841 -15.877 1.00 0.00 H new ATOM 0 HB3 LYS A 34 27.245 -11.805 -16.589 1.00 0.00 H new ATOM 0 HG2 LYS A 34 28.929 -10.069 -15.983 1.00 0.00 H new ATOM 0 HG3 LYS A 34 27.665 -9.044 -15.334 1.00 0.00 H new ATOM 0 HD2 LYS A 34 28.761 -10.309 -13.501 1.00 0.00 H new ATOM 0 HD3 LYS A 34 27.084 -10.794 -13.648 1.00 0.00 H new ATOM 0 HE2 LYS A 34 28.621 -12.440 -15.459 1.00 0.00 H new ATOM 0 HE3 LYS A 34 29.451 -12.442 -13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 27.758 -14.171 -14.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 27.354 -13.022 -12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 26.550 -13.019 -14.316 1.00 0.00 H new ATOM 404 N MET A 35 24.440 -9.541 -18.073 1.00 0.00 N ATOM 405 CA MET A 35 23.200 -8.720 -18.030 1.00 0.00 C ATOM 406 C MET A 35 22.025 -9.593 -17.606 1.00 0.00 C ATOM 407 O MET A 35 22.024 -10.793 -17.793 1.00 0.00 O ATOM 408 CB MET A 35 22.902 -8.163 -19.417 1.00 0.00 C ATOM 409 CG MET A 35 23.406 -6.722 -19.512 1.00 0.00 C ATOM 410 SD MET A 35 23.224 -6.127 -21.212 1.00 0.00 S ATOM 411 CE MET A 35 23.859 -7.605 -22.042 1.00 0.00 C ATOM 0 H MET A 35 24.324 -10.466 -18.486 1.00 0.00 H new ATOM 0 HA MET A 35 23.343 -7.905 -17.321 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.383 -8.778 -20.178 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.830 -8.197 -19.611 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.844 -6.084 -18.830 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.451 -6.671 -19.208 1.00 0.00 H new ATOM 0 HE1 MET A 35 23.937 -7.416 -23.113 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.844 -7.851 -21.645 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.179 -8.440 -21.869 1.00 0.00 H new ATOM 421 N LYS A 36 21.018 -8.989 -17.049 1.00 0.00 N ATOM 422 CA LYS A 36 19.824 -9.764 -16.620 1.00 0.00 C ATOM 423 C LYS A 36 18.612 -9.250 -17.393 1.00 0.00 C ATOM 424 O LYS A 36 18.426 -8.061 -17.543 1.00 0.00 O ATOM 425 CB LYS A 36 19.594 -9.574 -15.120 1.00 0.00 C ATOM 426 CG LYS A 36 18.267 -10.221 -14.724 1.00 0.00 C ATOM 427 CD LYS A 36 18.194 -10.348 -13.200 1.00 0.00 C ATOM 428 CE LYS A 36 17.201 -9.321 -12.652 1.00 0.00 C ATOM 429 NZ LYS A 36 15.849 -9.941 -12.553 1.00 0.00 N ATOM 0 H LYS A 36 20.969 -7.986 -16.871 1.00 0.00 H new ATOM 0 HA LYS A 36 19.976 -10.824 -16.821 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.412 -10.022 -14.556 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.581 -8.512 -14.874 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.434 -9.620 -15.090 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.178 -11.204 -15.186 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.883 -11.355 -12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.179 -10.187 -12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.526 -8.973 -11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.166 -8.449 -13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.174 -9.243 -12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.540 -10.253 -13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.889 -10.760 -11.913 1.00 0.00 H new ATOM 443 N VAL A 37 17.789 -10.130 -17.884 1.00 0.00 N ATOM 444 CA VAL A 37 16.593 -9.671 -18.647 1.00 0.00 C ATOM 445 C VAL A 37 15.349 -9.822 -17.771 1.00 0.00 C ATOM 446 O VAL A 37 14.997 -10.907 -17.352 1.00 0.00 O ATOM 447 CB VAL A 37 16.443 -10.505 -19.923 1.00 0.00 C ATOM 448 CG1 VAL A 37 16.792 -11.964 -19.626 1.00 0.00 C ATOM 449 CG2 VAL A 37 15.001 -10.418 -20.430 1.00 0.00 C ATOM 0 H VAL A 37 17.889 -11.141 -17.793 1.00 0.00 H new ATOM 0 HA VAL A 37 16.714 -8.624 -18.924 1.00 0.00 H new ATOM 0 HB VAL A 37 17.118 -10.118 -20.686 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.685 -12.556 -20.535 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.821 -12.027 -19.271 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.120 -12.350 -18.860 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.898 -11.012 -21.338 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.323 -10.801 -19.667 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.754 -9.379 -20.647 1.00 0.00 H new ATOM 459 N LEU A 38 14.683 -8.737 -17.488 1.00 0.00 N ATOM 460 CA LEU A 38 13.464 -8.808 -16.635 1.00 0.00 C ATOM 461 C LEU A 38 12.233 -9.060 -17.510 1.00 0.00 C ATOM 462 O LEU A 38 11.300 -9.726 -17.105 1.00 0.00 O ATOM 463 CB LEU A 38 13.296 -7.486 -15.884 1.00 0.00 C ATOM 464 CG LEU A 38 14.676 -6.894 -15.585 1.00 0.00 C ATOM 465 CD1 LEU A 38 14.965 -5.755 -16.566 1.00 0.00 C ATOM 466 CD2 LEU A 38 14.705 -6.354 -14.155 1.00 0.00 C ATOM 0 H LEU A 38 14.931 -7.802 -17.812 1.00 0.00 H new ATOM 0 HA LEU A 38 13.568 -9.625 -15.921 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.710 -6.787 -16.481 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.749 -7.649 -14.956 1.00 0.00 H new ATOM 0 HG LEU A 38 15.434 -7.670 -15.693 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.947 -5.333 -16.354 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.948 -6.140 -17.586 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.206 -4.980 -16.458 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.688 -5.933 -13.945 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.947 -5.579 -14.043 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.500 -7.165 -13.456 1.00 0.00 H new ATOM 478 N GLU A 39 12.219 -8.535 -18.705 1.00 0.00 N ATOM 479 CA GLU A 39 11.043 -8.748 -19.597 1.00 0.00 C ATOM 480 C GLU A 39 11.526 -9.142 -20.995 1.00 0.00 C ATOM 481 O GLU A 39 12.458 -8.568 -21.524 1.00 0.00 O ATOM 482 CB GLU A 39 10.228 -7.456 -19.684 1.00 0.00 C ATOM 483 CG GLU A 39 8.804 -7.781 -20.137 1.00 0.00 C ATOM 484 CD GLU A 39 7.883 -7.844 -18.918 1.00 0.00 C ATOM 485 OE1 GLU A 39 8.174 -8.616 -18.019 1.00 0.00 O ATOM 486 OE2 GLU A 39 6.901 -7.119 -18.903 1.00 0.00 O ATOM 0 H GLU A 39 12.969 -7.969 -19.102 1.00 0.00 H new ATOM 0 HA GLU A 39 10.419 -9.544 -19.191 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.208 -6.960 -18.714 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.695 -6.765 -20.386 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.451 -7.021 -20.834 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.788 -8.733 -20.668 1.00 0.00 H new ATOM 493 N GLU A 40 10.902 -10.117 -21.598 1.00 0.00 N ATOM 494 CA GLU A 40 11.328 -10.545 -22.961 1.00 0.00 C ATOM 495 C GLU A 40 10.249 -10.169 -23.977 1.00 0.00 C ATOM 496 O GLU A 40 9.069 -10.212 -23.687 1.00 0.00 O ATOM 497 CB GLU A 40 11.539 -12.061 -22.975 1.00 0.00 C ATOM 498 CG GLU A 40 11.882 -12.516 -24.395 1.00 0.00 C ATOM 499 CD GLU A 40 10.920 -13.626 -24.822 1.00 0.00 C ATOM 500 OE1 GLU A 40 9.840 -13.695 -24.259 1.00 0.00 O ATOM 501 OE2 GLU A 40 11.280 -14.389 -25.703 1.00 0.00 O ATOM 0 H GLU A 40 10.116 -10.636 -21.206 1.00 0.00 H new ATOM 0 HA GLU A 40 12.260 -10.045 -23.224 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.342 -12.333 -22.291 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.639 -12.567 -22.627 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.812 -11.675 -25.085 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.910 -12.876 -24.434 1.00 0.00 H new ATOM 508 N HIS A 41 10.639 -9.802 -25.168 1.00 0.00 N ATOM 509 CA HIS A 41 9.631 -9.426 -26.199 1.00 0.00 C ATOM 510 C HIS A 41 9.691 -10.416 -27.368 1.00 0.00 C ATOM 511 O HIS A 41 9.648 -10.033 -28.520 1.00 0.00 O ATOM 512 CB HIS A 41 9.930 -8.018 -26.711 1.00 0.00 C ATOM 513 CG HIS A 41 10.067 -7.079 -25.543 1.00 0.00 C ATOM 514 ND1 HIS A 41 10.742 -7.189 -24.353 1.00 0.00 N flip ATOM 515 CD2 HIS A 41 9.452 -5.837 -25.517 1.00 0.00 C flip ATOM 516 CE1 HIS A 41 10.553 -6.036 -23.598 1.00 0.00 C flip ATOM 517 NE2 HIS A 41 9.768 -5.254 -24.346 1.00 0.00 N flip ATOM 0 H HIS A 41 11.611 -9.747 -25.471 1.00 0.00 H new ATOM 0 HA HIS A 41 8.636 -9.452 -25.756 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.848 -8.020 -27.299 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.130 -7.681 -27.370 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.833 -5.415 -26.294 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.954 -5.819 -22.619 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.447 -4.328 -24.063 1.00 0.00 H new ATOM 525 N GLY A 42 9.781 -11.685 -27.080 1.00 0.00 N ATOM 526 CA GLY A 42 9.834 -12.702 -28.171 1.00 0.00 C ATOM 527 C GLY A 42 10.859 -12.288 -29.231 1.00 0.00 C ATOM 528 O GLY A 42 10.676 -12.526 -30.409 1.00 0.00 O ATOM 0 H GLY A 42 9.820 -12.064 -26.134 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.100 -13.675 -27.758 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.850 -12.807 -28.628 1.00 0.00 H new ATOM 532 N GLU A 43 11.938 -11.680 -28.824 1.00 0.00 N ATOM 533 CA GLU A 43 12.975 -11.259 -29.811 1.00 0.00 C ATOM 534 C GLU A 43 13.866 -10.182 -29.196 1.00 0.00 C ATOM 535 O GLU A 43 15.076 -10.225 -29.299 1.00 0.00 O ATOM 536 CB GLU A 43 12.295 -10.699 -31.062 1.00 0.00 C ATOM 537 CG GLU A 43 12.358 -11.737 -32.185 1.00 0.00 C ATOM 538 CD GLU A 43 13.203 -11.191 -33.338 1.00 0.00 C ATOM 539 OE1 GLU A 43 14.020 -10.321 -33.088 1.00 0.00 O ATOM 540 OE2 GLU A 43 13.019 -11.653 -34.453 1.00 0.00 O ATOM 0 H GLU A 43 12.148 -11.456 -27.851 1.00 0.00 H new ATOM 0 HA GLU A 43 13.583 -12.122 -30.081 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.257 -10.447 -30.843 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.787 -9.778 -31.375 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.789 -12.666 -31.812 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.353 -11.970 -32.536 1.00 0.00 H new ATOM 547 N TRP A 44 13.275 -9.217 -28.555 1.00 0.00 N ATOM 548 CA TRP A 44 14.077 -8.132 -27.925 1.00 0.00 C ATOM 549 C TRP A 44 13.666 -7.993 -26.461 1.00 0.00 C ATOM 550 O TRP A 44 12.514 -7.767 -26.148 1.00 0.00 O ATOM 551 CB TRP A 44 13.816 -6.813 -28.658 1.00 0.00 C ATOM 552 CG TRP A 44 14.722 -6.714 -29.843 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.652 -7.501 -30.943 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.829 -5.793 -30.068 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.645 -7.121 -31.827 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.397 -6.072 -31.333 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.390 -4.754 -29.304 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.483 -5.346 -31.824 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.482 -4.020 -29.796 1.00 0.00 C ATOM 560 CH2 TRP A 44 18.028 -4.317 -31.052 1.00 0.00 C ATOM 0 H TRP A 44 12.265 -9.131 -28.439 1.00 0.00 H new ATOM 0 HA TRP A 44 15.138 -8.375 -27.987 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.775 -6.762 -28.977 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.985 -5.972 -27.986 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.938 -8.295 -31.103 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.803 -7.561 -32.733 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.979 -4.519 -28.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 17.899 -5.578 -32.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.903 -3.222 -29.203 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.870 -3.751 -31.423 1.00 0.00 H new ATOM 571 N TRP A 45 14.595 -8.130 -25.558 1.00 0.00 N ATOM 572 CA TRP A 45 14.244 -8.011 -24.116 1.00 0.00 C ATOM 573 C TRP A 45 14.985 -6.826 -23.505 1.00 0.00 C ATOM 574 O TRP A 45 15.925 -6.304 -24.070 1.00 0.00 O ATOM 575 CB TRP A 45 14.652 -9.284 -23.366 1.00 0.00 C ATOM 576 CG TRP A 45 14.934 -10.393 -24.329 1.00 0.00 C ATOM 577 CD1 TRP A 45 14.184 -10.699 -25.413 1.00 0.00 C ATOM 578 CD2 TRP A 45 16.030 -11.353 -24.305 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.752 -11.785 -26.057 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.892 -12.224 -25.412 1.00 0.00 C ATOM 581 CE3 TRP A 45 17.121 -11.548 -23.440 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.803 -13.253 -25.650 1.00 0.00 C ATOM 583 CZ3 TRP A 45 18.041 -12.583 -23.677 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.881 -13.434 -24.780 1.00 0.00 C ATOM 0 H TRP A 45 15.578 -8.318 -25.754 1.00 0.00 H new ATOM 0 HA TRP A 45 13.167 -7.865 -24.030 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.536 -9.088 -22.759 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.856 -9.581 -22.683 1.00 0.00 H new ATOM 0 HD1 TRP A 45 13.289 -10.181 -25.725 1.00 0.00 H new ATOM 0 HE1 TRP A 45 14.375 -12.209 -26.904 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.253 -10.898 -22.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.676 -13.905 -26.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.876 -12.724 -23.006 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.591 -14.229 -24.957 1.00 0.00 H new ATOM 595 N LYS A 46 14.580 -6.416 -22.337 1.00 0.00 N ATOM 596 CA LYS A 46 15.270 -5.284 -21.660 1.00 0.00 C ATOM 597 C LYS A 46 16.031 -5.848 -20.459 1.00 0.00 C ATOM 598 O LYS A 46 15.465 -6.499 -19.604 1.00 0.00 O ATOM 599 CB LYS A 46 14.234 -4.246 -21.207 1.00 0.00 C ATOM 600 CG LYS A 46 14.379 -3.972 -19.708 1.00 0.00 C ATOM 601 CD LYS A 46 13.556 -2.738 -19.334 1.00 0.00 C ATOM 602 CE LYS A 46 14.440 -1.745 -18.575 1.00 0.00 C ATOM 603 NZ LYS A 46 14.049 -1.730 -17.137 1.00 0.00 N ATOM 0 H LYS A 46 13.798 -6.817 -21.820 1.00 0.00 H new ATOM 0 HA LYS A 46 15.966 -4.792 -22.339 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.367 -3.321 -21.768 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.228 -4.607 -21.422 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.041 -4.835 -19.135 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.428 -3.813 -19.456 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.154 -2.270 -20.233 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.705 -3.028 -18.718 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.489 -2.025 -18.675 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.335 -0.748 -19.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.649 -1.055 -16.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.053 -1.443 -17.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.171 -2.681 -16.734 1.00 0.00 H new ATOM 617 N ALA A 47 17.313 -5.629 -20.402 1.00 0.00 N ATOM 618 CA ALA A 47 18.108 -6.185 -19.271 1.00 0.00 C ATOM 619 C ALA A 47 18.790 -5.065 -18.484 1.00 0.00 C ATOM 620 O ALA A 47 18.574 -3.894 -18.722 1.00 0.00 O ATOM 621 CB ALA A 47 19.179 -7.125 -19.828 1.00 0.00 C ATOM 0 H ALA A 47 17.845 -5.091 -21.086 1.00 0.00 H new ATOM 0 HA ALA A 47 17.436 -6.724 -18.603 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.765 -7.536 -19.006 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.701 -7.938 -20.375 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.835 -6.572 -20.500 1.00 0.00 H new ATOM 627 N LYS A 48 19.620 -5.434 -17.545 1.00 0.00 N ATOM 628 CA LYS A 48 20.339 -4.416 -16.727 1.00 0.00 C ATOM 629 C LYS A 48 21.788 -4.871 -16.529 1.00 0.00 C ATOM 630 O LYS A 48 22.074 -6.051 -16.494 1.00 0.00 O ATOM 631 CB LYS A 48 19.656 -4.274 -15.366 1.00 0.00 C ATOM 632 CG LYS A 48 20.431 -3.272 -14.508 1.00 0.00 C ATOM 633 CD LYS A 48 19.997 -3.408 -13.048 1.00 0.00 C ATOM 634 CE LYS A 48 21.044 -4.218 -12.279 1.00 0.00 C ATOM 635 NZ LYS A 48 20.362 -5.095 -11.287 1.00 0.00 N ATOM 0 H LYS A 48 19.832 -6.403 -17.309 1.00 0.00 H new ATOM 0 HA LYS A 48 20.320 -3.453 -17.238 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.627 -3.938 -15.497 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.614 -5.241 -14.866 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.502 -3.452 -14.598 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.247 -2.257 -14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.882 -2.422 -12.598 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.026 -3.900 -12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.632 -4.822 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.738 -3.547 -11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.073 -5.646 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.819 -4.509 -10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.717 -5.744 -11.782 1.00 0.00 H new ATOM 649 N SER A 49 22.711 -3.952 -16.417 1.00 0.00 N ATOM 650 CA SER A 49 24.135 -4.357 -16.242 1.00 0.00 C ATOM 651 C SER A 49 24.458 -4.495 -14.753 1.00 0.00 C ATOM 652 O SER A 49 24.251 -3.583 -13.980 1.00 0.00 O ATOM 653 CB SER A 49 25.046 -3.297 -16.865 1.00 0.00 C ATOM 654 OG SER A 49 26.356 -3.427 -16.333 1.00 0.00 O ATOM 0 H SER A 49 22.542 -2.946 -16.439 1.00 0.00 H new ATOM 0 HA SER A 49 24.298 -5.316 -16.734 1.00 0.00 H new ATOM 0 HB2 SER A 49 25.069 -3.413 -17.949 1.00 0.00 H new ATOM 0 HB3 SER A 49 24.656 -2.300 -16.659 1.00 0.00 H new ATOM 0 HG SER A 49 26.997 -2.993 -16.933 1.00 0.00 H new ATOM 660 N LEU A 50 24.963 -5.626 -14.342 1.00 0.00 N ATOM 661 CA LEU A 50 25.292 -5.804 -12.900 1.00 0.00 C ATOM 662 C LEU A 50 26.489 -4.921 -12.538 1.00 0.00 C ATOM 663 O LEU A 50 26.793 -4.712 -11.380 1.00 0.00 O ATOM 664 CB LEU A 50 25.638 -7.270 -12.630 1.00 0.00 C ATOM 665 CG LEU A 50 24.366 -8.117 -12.713 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.745 -9.581 -12.943 1.00 0.00 C ATOM 667 CD2 LEU A 50 23.584 -7.993 -11.404 1.00 0.00 C ATOM 0 H LEU A 50 25.161 -6.430 -14.938 1.00 0.00 H new ATOM 0 HA LEU A 50 24.432 -5.518 -12.294 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.370 -7.622 -13.357 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.092 -7.372 -11.644 1.00 0.00 H new ATOM 0 HG LEU A 50 23.748 -7.766 -13.540 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.840 -10.186 -13.002 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.303 -9.670 -13.875 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.362 -9.931 -12.116 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.678 -8.596 -11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.201 -8.345 -10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.315 -6.950 -11.238 1.00 0.00 H new ATOM 679 N LEU A 51 27.173 -4.403 -13.524 1.00 0.00 N ATOM 680 CA LEU A 51 28.354 -3.537 -13.246 1.00 0.00 C ATOM 681 C LEU A 51 27.890 -2.110 -12.952 1.00 0.00 C ATOM 682 O LEU A 51 28.204 -1.544 -11.924 1.00 0.00 O ATOM 683 CB LEU A 51 29.276 -3.529 -14.467 1.00 0.00 C ATOM 684 CG LEU A 51 30.511 -2.677 -14.168 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.398 -3.403 -13.153 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.296 -2.446 -15.460 1.00 0.00 C ATOM 0 H LEU A 51 26.963 -4.543 -14.512 1.00 0.00 H new ATOM 0 HA LEU A 51 28.892 -3.927 -12.382 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.575 -4.547 -14.717 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.747 -3.131 -15.333 1.00 0.00 H new ATOM 0 HG LEU A 51 30.200 -1.717 -13.756 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.278 -2.796 -12.940 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.838 -3.567 -12.232 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.710 -4.363 -13.564 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.176 -1.839 -15.247 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.608 -3.405 -15.873 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.664 -1.929 -16.182 1.00 0.00 H new ATOM 698 N THR A 52 27.147 -1.527 -13.847 1.00 0.00 N ATOM 699 CA THR A 52 26.662 -0.136 -13.622 1.00 0.00 C ATOM 700 C THR A 52 25.156 -0.163 -13.355 1.00 0.00 C ATOM 701 O THR A 52 24.505 0.862 -13.305 1.00 0.00 O ATOM 702 CB THR A 52 26.946 0.714 -14.864 1.00 0.00 C ATOM 703 OG1 THR A 52 26.021 1.791 -14.920 1.00 0.00 O ATOM 704 CG2 THR A 52 26.805 -0.149 -16.118 1.00 0.00 C ATOM 0 H THR A 52 26.853 -1.952 -14.726 1.00 0.00 H new ATOM 0 HA THR A 52 27.178 0.295 -12.764 1.00 0.00 H new ATOM 0 HB THR A 52 27.961 1.109 -14.811 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.672 1.969 -14.022 1.00 0.00 H new ATOM 0 HG21 THR A 52 27.007 0.457 -17.001 1.00 0.00 H new ATOM 0 HG22 THR A 52 27.516 -0.974 -16.074 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.791 -0.546 -16.175 1.00 0.00 H new ATOM 712 N LYS A 53 24.600 -1.329 -13.177 1.00 0.00 N ATOM 713 CA LYS A 53 23.138 -1.428 -12.907 1.00 0.00 C ATOM 714 C LYS A 53 22.362 -0.629 -13.952 1.00 0.00 C ATOM 715 O LYS A 53 21.258 -0.184 -13.711 1.00 0.00 O ATOM 716 CB LYS A 53 22.839 -0.872 -11.514 1.00 0.00 C ATOM 717 CG LYS A 53 23.079 -1.962 -10.467 1.00 0.00 C ATOM 718 CD LYS A 53 23.970 -1.411 -9.353 1.00 0.00 C ATOM 719 CE LYS A 53 23.952 -2.372 -8.163 1.00 0.00 C ATOM 720 NZ LYS A 53 23.550 -1.632 -6.934 1.00 0.00 N ATOM 0 H LYS A 53 25.096 -2.220 -13.207 1.00 0.00 H new ATOM 0 HA LYS A 53 22.834 -2.473 -12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 53 23.475 -0.011 -11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.807 -0.525 -11.463 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.129 -2.300 -10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 53 23.551 -2.828 -10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 53 24.990 -1.285 -9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 53 23.618 -0.427 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 53 23.256 -3.189 -8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.937 -2.817 -8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 23.537 -2.285 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.230 -0.867 -6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 22.601 -1.227 -7.067 1.00 0.00 H new ATOM 734 N LYS A 54 22.921 -0.453 -15.116 1.00 0.00 N ATOM 735 CA LYS A 54 22.199 0.304 -16.173 1.00 0.00 C ATOM 736 C LYS A 54 21.191 -0.633 -16.835 1.00 0.00 C ATOM 737 O LYS A 54 21.459 -1.801 -17.029 1.00 0.00 O ATOM 738 CB LYS A 54 23.196 0.808 -17.219 1.00 0.00 C ATOM 739 CG LYS A 54 23.578 2.255 -16.904 1.00 0.00 C ATOM 740 CD LYS A 54 23.011 3.178 -17.985 1.00 0.00 C ATOM 741 CE LYS A 54 22.320 4.373 -17.325 1.00 0.00 C ATOM 742 NZ LYS A 54 22.985 5.633 -17.761 1.00 0.00 N ATOM 0 H LYS A 54 23.843 -0.800 -15.380 1.00 0.00 H new ATOM 0 HA LYS A 54 21.685 1.159 -15.735 1.00 0.00 H new ATOM 0 HB2 LYS A 54 24.086 0.178 -17.222 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.757 0.745 -18.215 1.00 0.00 H new ATOM 0 HG2 LYS A 54 23.190 2.541 -15.926 1.00 0.00 H new ATOM 0 HG3 LYS A 54 24.662 2.354 -16.858 1.00 0.00 H new ATOM 0 HD2 LYS A 54 23.811 3.523 -18.640 1.00 0.00 H new ATOM 0 HD3 LYS A 54 22.302 2.633 -18.608 1.00 0.00 H new ATOM 0 HE2 LYS A 54 21.265 4.393 -17.597 1.00 0.00 H new ATOM 0 HE3 LYS A 54 22.367 4.281 -16.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 22.516 6.446 -17.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 23.986 5.612 -17.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 22.918 5.721 -18.795 1.00 0.00 H new ATOM 756 N GLU A 55 20.035 -0.141 -17.182 1.00 0.00 N ATOM 757 CA GLU A 55 19.024 -1.026 -17.826 1.00 0.00 C ATOM 758 C GLU A 55 18.644 -0.458 -19.192 1.00 0.00 C ATOM 759 O GLU A 55 18.539 0.740 -19.373 1.00 0.00 O ATOM 760 CB GLU A 55 17.780 -1.113 -16.940 1.00 0.00 C ATOM 761 CG GLU A 55 17.092 0.252 -16.892 1.00 0.00 C ATOM 762 CD GLU A 55 16.752 0.600 -15.440 1.00 0.00 C ATOM 763 OE1 GLU A 55 16.575 -0.321 -14.659 1.00 0.00 O ATOM 764 OE2 GLU A 55 16.676 1.778 -15.136 1.00 0.00 O ATOM 0 H GLU A 55 19.747 0.828 -17.049 1.00 0.00 H new ATOM 0 HA GLU A 55 19.445 -2.023 -17.954 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.094 -1.864 -17.331 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.058 -1.428 -15.934 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.744 1.015 -17.317 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.185 0.235 -17.496 1.00 0.00 H new ATOM 771 N GLY A 56 18.440 -1.310 -20.156 1.00 0.00 N ATOM 772 CA GLY A 56 18.071 -0.824 -21.512 1.00 0.00 C ATOM 773 C GLY A 56 17.478 -1.972 -22.322 1.00 0.00 C ATOM 774 O GLY A 56 17.111 -3.002 -21.791 1.00 0.00 O ATOM 0 H GLY A 56 18.513 -2.323 -20.063 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.350 -0.010 -21.434 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.950 -0.424 -22.018 1.00 0.00 H new ATOM 778 N PHE A 57 17.389 -1.801 -23.607 1.00 0.00 N ATOM 779 CA PHE A 57 16.823 -2.880 -24.461 1.00 0.00 C ATOM 780 C PHE A 57 17.966 -3.697 -25.067 1.00 0.00 C ATOM 781 O PHE A 57 18.934 -3.161 -25.569 1.00 0.00 O ATOM 782 CB PHE A 57 15.978 -2.264 -25.578 1.00 0.00 C ATOM 783 CG PHE A 57 14.696 -3.046 -25.735 1.00 0.00 C ATOM 784 CD1 PHE A 57 14.003 -3.490 -24.601 1.00 0.00 C ATOM 785 CD2 PHE A 57 14.198 -3.326 -27.013 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.813 -4.214 -24.748 1.00 0.00 C ATOM 787 CE2 PHE A 57 13.009 -4.049 -27.159 1.00 0.00 C ATOM 788 CZ PHE A 57 12.317 -4.494 -26.026 1.00 0.00 C ATOM 0 H PHE A 57 17.683 -0.961 -24.105 1.00 0.00 H new ATOM 0 HA PHE A 57 16.192 -3.531 -23.856 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.754 -1.223 -25.346 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.536 -2.269 -26.514 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.386 -3.274 -23.615 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.732 -2.984 -27.887 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.278 -4.556 -23.874 1.00 0.00 H new ATOM 0 HE2 PHE A 57 12.625 -4.264 -28.145 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.400 -5.054 -26.139 1.00 0.00 H new ATOM 798 N ILE A 58 17.853 -4.995 -25.023 1.00 0.00 N ATOM 799 CA ILE A 58 18.920 -5.864 -25.595 1.00 0.00 C ATOM 800 C ILE A 58 18.284 -6.838 -26.586 1.00 0.00 C ATOM 801 O ILE A 58 17.232 -7.387 -26.328 1.00 0.00 O ATOM 802 CB ILE A 58 19.588 -6.654 -24.466 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.522 -7.384 -23.648 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.359 -5.694 -23.557 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.172 -8.539 -22.881 1.00 0.00 C ATOM 0 H ILE A 58 17.063 -5.494 -24.613 1.00 0.00 H new ATOM 0 HA ILE A 58 19.666 -5.252 -26.102 1.00 0.00 H new ATOM 0 HB ILE A 58 20.277 -7.382 -24.894 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.046 -6.693 -22.952 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.740 -7.764 -24.306 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.834 -6.257 -22.753 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.122 -5.176 -24.138 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.670 -4.964 -23.131 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.414 -9.061 -22.297 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.628 -9.233 -23.587 1.00 0.00 H new ATOM 0 HD13 ILE A 58 19.938 -8.146 -22.212 1.00 0.00 H new ATOM 817 N PRO A 59 18.925 -7.062 -27.742 1.00 0.00 N ATOM 818 CA PRO A 59 18.392 -7.976 -28.751 1.00 0.00 C ATOM 819 C PRO A 59 18.593 -9.431 -28.322 1.00 0.00 C ATOM 820 O PRO A 59 19.368 -9.715 -27.429 1.00 0.00 O ATOM 821 CB PRO A 59 19.218 -7.664 -29.995 1.00 0.00 C ATOM 822 CG PRO A 59 20.503 -7.104 -29.475 1.00 0.00 C ATOM 823 CD PRO A 59 20.201 -6.451 -28.151 1.00 0.00 C ATOM 0 HA PRO A 59 17.321 -7.851 -28.911 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.390 -8.561 -30.590 1.00 0.00 H new ATOM 0 HB3 PRO A 59 18.707 -6.948 -30.639 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.246 -7.893 -29.354 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.918 -6.379 -30.175 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.988 -6.642 -27.422 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.113 -5.369 -28.249 1.00 0.00 H new ATOM 831 N SER A 60 17.906 -10.359 -28.928 1.00 0.00 N ATOM 832 CA SER A 60 18.084 -11.778 -28.513 1.00 0.00 C ATOM 833 C SER A 60 19.163 -12.440 -29.371 1.00 0.00 C ATOM 834 O SER A 60 19.141 -13.634 -29.596 1.00 0.00 O ATOM 835 CB SER A 60 16.762 -12.531 -28.665 1.00 0.00 C ATOM 836 OG SER A 60 16.429 -12.626 -30.042 1.00 0.00 O ATOM 0 H SER A 60 17.238 -10.200 -29.682 1.00 0.00 H new ATOM 0 HA SER A 60 18.394 -11.809 -27.468 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.846 -13.527 -28.230 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.971 -12.012 -28.123 1.00 0.00 H new ATOM 0 HG SER A 60 15.874 -11.860 -30.298 1.00 0.00 H new ATOM 842 N ASN A 61 20.115 -11.681 -29.843 1.00 0.00 N ATOM 843 CA ASN A 61 21.196 -12.281 -30.674 1.00 0.00 C ATOM 844 C ASN A 61 22.548 -11.671 -30.290 1.00 0.00 C ATOM 845 O ASN A 61 23.576 -12.032 -30.828 1.00 0.00 O ATOM 846 CB ASN A 61 20.915 -12.017 -32.154 1.00 0.00 C ATOM 847 CG ASN A 61 21.897 -12.817 -33.011 1.00 0.00 C ATOM 848 OD1 ASN A 61 22.740 -12.250 -33.680 1.00 0.00 O ATOM 849 ND2 ASN A 61 21.824 -14.120 -33.022 1.00 0.00 N ATOM 0 H ASN A 61 20.190 -10.675 -29.689 1.00 0.00 H new ATOM 0 HA ASN A 61 21.226 -13.356 -30.498 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.891 -12.300 -32.396 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.012 -10.953 -32.369 1.00 0.00 H new ATOM 0 HD21 ASN A 61 22.474 -14.662 -33.591 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.117 -14.596 -32.461 1.00 0.00 H new ATOM 856 N TYR A 62 22.561 -10.756 -29.357 1.00 0.00 N ATOM 857 CA TYR A 62 23.853 -10.139 -28.939 1.00 0.00 C ATOM 858 C TYR A 62 24.253 -10.686 -27.568 1.00 0.00 C ATOM 859 O TYR A 62 25.418 -10.764 -27.234 1.00 0.00 O ATOM 860 CB TYR A 62 23.694 -8.621 -28.854 1.00 0.00 C ATOM 861 CG TYR A 62 23.901 -8.016 -30.222 1.00 0.00 C ATOM 862 CD1 TYR A 62 23.044 -8.355 -31.276 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.951 -7.115 -30.437 1.00 0.00 C ATOM 864 CE1 TYR A 62 23.236 -7.794 -32.543 1.00 0.00 C ATOM 865 CE2 TYR A 62 25.144 -6.554 -31.704 1.00 0.00 C ATOM 866 CZ TYR A 62 24.287 -6.893 -32.758 1.00 0.00 C ATOM 867 OH TYR A 62 24.478 -6.341 -34.008 1.00 0.00 O ATOM 0 H TYR A 62 21.735 -10.410 -28.868 1.00 0.00 H new ATOM 0 HA TYR A 62 24.624 -10.380 -29.670 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.702 -8.369 -28.479 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.415 -8.208 -28.149 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.234 -9.050 -31.111 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.612 -6.853 -29.624 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.574 -8.055 -33.355 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.954 -5.859 -31.869 1.00 0.00 H new ATOM 0 HH TYR A 62 25.249 -5.737 -33.984 1.00 0.00 H new ATOM 877 N VAL A 63 23.293 -11.068 -26.769 1.00 0.00 N ATOM 878 CA VAL A 63 23.613 -11.613 -25.419 1.00 0.00 C ATOM 879 C VAL A 63 23.033 -13.024 -25.292 1.00 0.00 C ATOM 880 O VAL A 63 22.115 -13.393 -25.996 1.00 0.00 O ATOM 881 CB VAL A 63 23.000 -10.715 -24.344 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.518 -9.285 -24.515 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.476 -10.726 -24.479 1.00 0.00 C ATOM 0 H VAL A 63 22.299 -11.026 -26.994 1.00 0.00 H new ATOM 0 HA VAL A 63 24.695 -11.647 -25.289 1.00 0.00 H new ATOM 0 HB VAL A 63 23.280 -11.086 -23.358 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.081 -8.645 -23.748 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.604 -9.277 -24.418 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.239 -8.912 -25.501 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.038 -10.086 -23.713 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.195 -10.356 -25.465 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.107 -11.744 -24.355 1.00 0.00 H new