USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 SER OG : rot 180:sc= -0.0806 USER MOD Set 1.2: A 29 THR OG1 : rot 81:sc= -1.71! USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -2.35 USER MOD Single : A 9 TYR OH : rot -140:sc= -0.102 USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= -0.181 (180deg=-0.893) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -149:sc= -0.165 (180deg=-0.968) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= -0.637 (180deg=-0.978) USER MOD Single : A 26 THR OG1 : rot 48:sc= 0.949 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0988 USER MOD Single : A 37 GLN : amide:sc= -1.91 K(o=-1.9,f=-7.1!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 39:sc= 0.064 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.160 -25.946 13.874 1.00 0.00 N ATOM 2 CA GLU A 1 2.260 -26.683 12.943 1.00 0.00 C ATOM 3 C GLU A 1 1.976 -25.818 11.721 1.00 0.00 C ATOM 4 O GLU A 1 1.359 -24.758 11.828 1.00 0.00 O ATOM 5 CB GLU A 1 0.951 -27.017 13.661 1.00 0.00 C ATOM 6 CG GLU A 1 1.145 -28.267 14.521 1.00 0.00 C ATOM 7 CD GLU A 1 0.546 -29.481 13.818 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.314 -29.394 12.623 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.327 -30.479 14.485 1.00 0.00 O ATOM 0 H1 GLU A 1 3.354 -26.536 14.708 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.054 -25.725 13.390 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.701 -25.062 14.174 1.00 0.00 H new ATOM 0 HA GLU A 1 2.740 -27.608 12.623 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.642 -26.178 14.284 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.157 -27.183 12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.207 -28.430 14.706 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.670 -28.128 15.492 1.00 0.00 H new ATOM 18 N VAL A 2 2.429 -26.277 10.558 1.00 0.00 N ATOM 19 CA VAL A 2 2.217 -25.536 9.320 1.00 0.00 C ATOM 20 C VAL A 2 0.726 -25.351 9.054 1.00 0.00 C ATOM 21 O VAL A 2 -0.075 -26.248 9.317 1.00 0.00 O ATOM 22 CB VAL A 2 2.859 -26.284 8.151 1.00 0.00 C ATOM 23 CG1 VAL A 2 2.789 -25.419 6.891 1.00 0.00 C ATOM 24 CG2 VAL A 2 4.323 -26.584 8.481 1.00 0.00 C ATOM 0 H VAL A 2 2.941 -27.152 10.447 1.00 0.00 H new ATOM 0 HA VAL A 2 2.679 -24.554 9.421 1.00 0.00 H new ATOM 0 HB VAL A 2 2.325 -27.219 7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.247 -25.952 6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.747 -25.203 6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.324 -24.484 7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.782 -27.117 7.648 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.857 -25.649 8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.375 -27.200 9.379 1.00 0.00 H new ATOM 34 N ILE A 3 0.361 -24.184 8.533 1.00 0.00 N ATOM 35 CA ILE A 3 -1.037 -23.897 8.236 1.00 0.00 C ATOM 36 C ILE A 3 -1.284 -23.957 6.731 1.00 0.00 C ATOM 37 O ILE A 3 -0.344 -24.014 5.939 1.00 0.00 O ATOM 38 CB ILE A 3 -1.415 -22.514 8.795 1.00 0.00 C ATOM 39 CG1 ILE A 3 -1.543 -21.487 7.660 1.00 0.00 C ATOM 40 CG2 ILE A 3 -0.328 -22.047 9.765 1.00 0.00 C ATOM 41 CD1 ILE A 3 -0.221 -21.405 6.894 1.00 0.00 C ATOM 0 H ILE A 3 1.008 -23.428 8.309 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.664 -24.650 8.713 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.373 -22.596 9.309 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.349 -21.774 6.985 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.801 -20.509 8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.592 -21.067 10.163 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.241 -22.760 10.585 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.624 -21.980 9.239 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.312 -20.676 6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.575 -21.098 7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.017 -22.382 6.474 1.00 0.00 H new ATOM 53 N LYS A 4 -2.556 -23.942 6.343 1.00 0.00 N ATOM 54 CA LYS A 4 -2.912 -23.994 4.931 1.00 0.00 C ATOM 55 C LYS A 4 -3.366 -22.620 4.448 1.00 0.00 C ATOM 56 O LYS A 4 -4.478 -22.183 4.743 1.00 0.00 O ATOM 57 CB LYS A 4 -4.033 -25.011 4.711 1.00 0.00 C ATOM 58 CG LYS A 4 -4.459 -24.996 3.241 1.00 0.00 C ATOM 59 CD LYS A 4 -4.450 -26.424 2.690 1.00 0.00 C ATOM 60 CE LYS A 4 -4.759 -26.396 1.191 1.00 0.00 C ATOM 61 NZ LYS A 4 -6.183 -26.778 0.971 1.00 0.00 N ATOM 0 H LYS A 4 -3.350 -23.895 6.981 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.033 -24.297 4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.693 -26.008 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.884 -24.773 5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.455 -24.564 3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.782 -24.368 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.478 -26.886 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.189 -27.031 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.572 -25.400 0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.101 -27.083 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.394 -26.759 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.347 -27.736 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.803 -26.105 1.466 1.00 0.00 H new ATOM 75 N LYS A 5 -2.495 -21.945 3.704 1.00 0.00 N ATOM 76 CA LYS A 5 -2.813 -20.620 3.183 1.00 0.00 C ATOM 77 C LYS A 5 -2.852 -20.642 1.659 1.00 0.00 C ATOM 78 O LYS A 5 -1.817 -20.755 1.007 1.00 0.00 O ATOM 79 CB LYS A 5 -1.765 -19.609 3.654 1.00 0.00 C ATOM 80 CG LYS A 5 -2.302 -18.190 3.462 1.00 0.00 C ATOM 81 CD LYS A 5 -2.915 -17.695 4.773 1.00 0.00 C ATOM 82 CE LYS A 5 -3.561 -16.326 4.551 1.00 0.00 C ATOM 83 NZ LYS A 5 -4.090 -15.812 5.846 1.00 0.00 N ATOM 0 H LYS A 5 -1.570 -22.291 3.450 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.794 -20.327 3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.526 -19.780 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.841 -19.739 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.497 -17.524 3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.051 -18.177 2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.660 -18.407 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.146 -17.625 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.830 -15.629 4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.368 -16.406 3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.529 -14.881 5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.800 -16.474 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.310 -15.721 6.528 1.00 0.00 H new ATOM 97 N ASP A 6 -4.052 -20.538 1.101 1.00 0.00 N ATOM 98 CA ASP A 6 -4.212 -20.552 -0.349 1.00 0.00 C ATOM 99 C ASP A 6 -4.831 -19.246 -0.839 1.00 0.00 C ATOM 100 O ASP A 6 -5.746 -18.708 -0.212 1.00 0.00 O ATOM 101 CB ASP A 6 -5.101 -21.728 -0.758 1.00 0.00 C ATOM 102 CG ASP A 6 -6.493 -21.561 -0.162 1.00 0.00 C ATOM 103 OD1 ASP A 6 -7.395 -21.208 -0.903 1.00 0.00 O ATOM 104 OD2 ASP A 6 -6.638 -21.790 1.029 1.00 0.00 O ATOM 0 H ASP A 6 -4.922 -20.444 1.625 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.228 -20.661 -0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.166 -21.785 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.660 -22.664 -0.416 1.00 0.00 H new ATOM 109 N THR A 7 -4.330 -18.741 -1.963 1.00 0.00 N ATOM 110 CA THR A 7 -4.846 -17.498 -2.526 1.00 0.00 C ATOM 111 C THR A 7 -5.728 -17.796 -3.740 1.00 0.00 C ATOM 112 O THR A 7 -5.717 -18.914 -4.255 1.00 0.00 O ATOM 113 CB THR A 7 -3.684 -16.583 -2.931 1.00 0.00 C ATOM 114 OG1 THR A 7 -4.071 -15.227 -2.766 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.310 -16.835 -4.392 1.00 0.00 C ATOM 0 H THR A 7 -3.574 -19.169 -2.498 1.00 0.00 H new ATOM 0 HA THR A 7 -5.447 -16.992 -1.771 1.00 0.00 H new ATOM 0 HB THR A 7 -2.821 -16.796 -2.300 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.328 -14.641 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.484 -16.182 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.009 -17.875 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.170 -16.628 -5.029 1.00 0.00 H new ATOM 123 N PRO A 8 -6.492 -16.835 -4.206 1.00 0.00 N ATOM 124 CA PRO A 8 -7.389 -17.017 -5.371 1.00 0.00 C ATOM 125 C PRO A 8 -6.755 -16.529 -6.671 1.00 0.00 C ATOM 126 O PRO A 8 -6.087 -15.495 -6.700 1.00 0.00 O ATOM 127 CB PRO A 8 -8.572 -16.134 -4.992 1.00 0.00 C ATOM 128 CG PRO A 8 -7.969 -14.988 -4.230 1.00 0.00 C ATOM 129 CD PRO A 8 -6.612 -15.466 -3.683 1.00 0.00 C ATOM 0 HA PRO A 8 -7.639 -18.061 -5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.104 -15.784 -5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.292 -16.679 -4.382 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.838 -14.122 -4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.625 -14.681 -3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.795 -14.832 -4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.591 -15.450 -2.593 1.00 0.00 H new ATOM 137 N TYR A 9 -6.967 -17.286 -7.743 1.00 0.00 N ATOM 138 CA TYR A 9 -6.412 -16.931 -9.043 1.00 0.00 C ATOM 139 C TYR A 9 -7.174 -17.644 -10.156 1.00 0.00 C ATOM 140 O TYR A 9 -6.709 -18.648 -10.695 1.00 0.00 O ATOM 141 CB TYR A 9 -4.933 -17.323 -9.093 1.00 0.00 C ATOM 142 CG TYR A 9 -4.285 -16.711 -10.312 1.00 0.00 C ATOM 143 CD1 TYR A 9 -3.880 -15.372 -10.290 1.00 0.00 C ATOM 144 CD2 TYR A 9 -4.085 -17.485 -11.461 1.00 0.00 C ATOM 145 CE1 TYR A 9 -3.276 -14.805 -11.417 1.00 0.00 C ATOM 146 CE2 TYR A 9 -3.481 -16.918 -12.589 1.00 0.00 C ATOM 147 CZ TYR A 9 -3.076 -15.578 -12.568 1.00 0.00 C ATOM 148 OH TYR A 9 -2.481 -15.018 -13.680 1.00 0.00 O ATOM 0 H TYR A 9 -7.517 -18.145 -7.737 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.508 -15.855 -9.187 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.426 -16.983 -8.190 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.835 -18.408 -9.124 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.034 -14.776 -9.403 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.397 -18.519 -11.477 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.964 -13.771 -11.400 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.327 -17.514 -13.476 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.933 -15.338 -14.489 1.00 0.00 H new ATOM 158 N LYS A 10 -8.350 -17.121 -10.488 1.00 0.00 N ATOM 159 CA LYS A 10 -9.178 -17.720 -11.532 1.00 0.00 C ATOM 160 C LYS A 10 -8.574 -17.487 -12.912 1.00 0.00 C ATOM 161 O LYS A 10 -8.933 -16.532 -13.601 1.00 0.00 O ATOM 162 CB LYS A 10 -10.587 -17.126 -11.485 1.00 0.00 C ATOM 163 CG LYS A 10 -11.489 -17.870 -12.473 1.00 0.00 C ATOM 164 CD LYS A 10 -12.032 -16.887 -13.514 1.00 0.00 C ATOM 165 CE LYS A 10 -13.044 -17.601 -14.411 1.00 0.00 C ATOM 166 NZ LYS A 10 -12.494 -18.922 -14.829 1.00 0.00 N ATOM 0 H LYS A 10 -8.750 -16.289 -10.053 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.225 -18.794 -11.351 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.992 -17.204 -10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.554 -16.065 -11.734 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.928 -18.664 -12.966 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.314 -18.345 -11.941 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.505 -16.039 -13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.214 -16.489 -14.115 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.985 -17.739 -13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.262 -16.992 -15.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.971 -19.238 -15.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.473 -18.832 -15.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.653 -19.619 -14.074 1.00 0.00 H new ATOM 180 N LYS A 11 -7.665 -18.373 -13.310 1.00 0.00 N ATOM 181 CA LYS A 11 -7.019 -18.272 -14.614 1.00 0.00 C ATOM 182 C LYS A 11 -7.084 -16.845 -15.148 1.00 0.00 C ATOM 183 O LYS A 11 -8.069 -16.448 -15.771 1.00 0.00 O ATOM 184 CB LYS A 11 -7.702 -19.216 -15.602 1.00 0.00 C ATOM 185 CG LYS A 11 -6.643 -19.916 -16.455 1.00 0.00 C ATOM 186 CD LYS A 11 -7.262 -20.338 -17.788 1.00 0.00 C ATOM 187 CE LYS A 11 -8.346 -21.390 -17.539 1.00 0.00 C ATOM 188 NZ LYS A 11 -8.359 -22.368 -18.663 1.00 0.00 N ATOM 0 H LYS A 11 -7.360 -19.168 -12.748 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.972 -18.551 -14.498 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.297 -19.954 -15.064 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.387 -18.658 -16.240 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.800 -19.247 -16.628 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.255 -20.788 -15.929 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.690 -19.472 -18.292 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.493 -20.742 -18.446 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.158 -21.905 -16.597 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.320 -20.909 -17.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.096 -23.082 -18.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.558 -21.870 -19.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.432 -22.835 -18.727 1.00 0.00 H new ATOM 202 N ARG A 12 -6.028 -16.078 -14.899 1.00 0.00 N ATOM 203 CA ARG A 12 -5.974 -14.695 -15.361 1.00 0.00 C ATOM 204 C ARG A 12 -5.015 -14.560 -16.539 1.00 0.00 C ATOM 205 O ARG A 12 -3.797 -14.626 -16.370 1.00 0.00 O ATOM 206 CB ARG A 12 -5.523 -13.780 -14.221 1.00 0.00 C ATOM 207 CG ARG A 12 -6.130 -12.388 -14.411 1.00 0.00 C ATOM 208 CD ARG A 12 -5.237 -11.343 -13.739 1.00 0.00 C ATOM 209 NE ARG A 12 -5.603 -10.004 -14.189 1.00 0.00 N ATOM 210 CZ ARG A 12 -5.295 -8.931 -13.469 1.00 0.00 C ATOM 211 NH1 ARG A 12 -5.630 -7.743 -13.893 1.00 0.00 N ATOM 212 NH2 ARG A 12 -4.660 -9.064 -12.336 1.00 0.00 N ATOM 0 H ARG A 12 -5.204 -16.387 -14.384 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.972 -14.401 -15.687 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.834 -14.196 -13.263 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.435 -13.714 -14.202 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.231 -12.166 -15.473 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.132 -12.355 -13.982 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.337 -11.411 -12.656 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.192 -11.541 -13.975 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.103 -9.890 -15.071 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.128 -7.639 -14.777 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.394 -6.919 -13.340 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.400 -9.992 -12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.424 -8.240 -11.784 1.00 0.00 H new ATOM 226 N LYS A 13 -5.572 -14.371 -17.730 1.00 0.00 N ATOM 227 CA LYS A 13 -4.758 -14.229 -18.932 1.00 0.00 C ATOM 228 C LYS A 13 -3.663 -15.290 -18.969 1.00 0.00 C ATOM 229 O LYS A 13 -2.532 -15.046 -18.547 1.00 0.00 O ATOM 230 CB LYS A 13 -4.124 -12.836 -18.971 1.00 0.00 C ATOM 231 CG LYS A 13 -5.218 -11.786 -19.178 1.00 0.00 C ATOM 232 CD LYS A 13 -5.193 -11.299 -20.629 1.00 0.00 C ATOM 233 CE LYS A 13 -4.181 -10.161 -20.767 1.00 0.00 C ATOM 234 NZ LYS A 13 -4.656 -8.978 -19.994 1.00 0.00 N ATOM 0 H LYS A 13 -6.578 -14.313 -17.889 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.402 -14.360 -19.801 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.589 -12.642 -18.041 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.393 -12.779 -19.777 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.194 -12.211 -18.943 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.064 -10.947 -18.499 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.926 -12.120 -21.295 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.184 -10.957 -20.926 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.206 -10.481 -20.400 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.056 -9.897 -21.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.327 -8.106 -20.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.695 -8.981 -19.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.277 -9.021 -19.026 1.00 0.00 H new ATOM 248 N PHE A 14 -4.006 -16.469 -19.479 1.00 0.00 N ATOM 249 CA PHE A 14 -3.042 -17.561 -19.569 1.00 0.00 C ATOM 250 C PHE A 14 -2.470 -17.887 -18.192 1.00 0.00 C ATOM 251 O PHE A 14 -2.373 -17.017 -17.326 1.00 0.00 O ATOM 252 CB PHE A 14 -1.903 -17.172 -20.518 1.00 0.00 C ATOM 253 CG PHE A 14 -1.944 -18.041 -21.752 1.00 0.00 C ATOM 254 CD1 PHE A 14 -3.080 -18.045 -22.571 1.00 0.00 C ATOM 255 CD2 PHE A 14 -0.843 -18.844 -22.079 1.00 0.00 C ATOM 256 CE1 PHE A 14 -3.115 -18.850 -23.717 1.00 0.00 C ATOM 257 CE2 PHE A 14 -0.878 -19.648 -23.225 1.00 0.00 C ATOM 258 CZ PHE A 14 -2.015 -19.652 -24.044 1.00 0.00 C ATOM 0 H PHE A 14 -4.936 -16.692 -19.834 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.554 -18.443 -19.955 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.994 -16.123 -20.798 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.943 -17.286 -20.014 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.929 -17.427 -22.319 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.033 -18.843 -21.447 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.991 -18.852 -24.349 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.028 -20.265 -23.478 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.043 -20.273 -24.927 1.00 0.00 H new ATOM 268 N PRO A 15 -2.088 -19.119 -17.985 1.00 0.00 N ATOM 269 CA PRO A 15 -1.507 -19.583 -16.691 1.00 0.00 C ATOM 270 C PRO A 15 -0.121 -18.990 -16.439 1.00 0.00 C ATOM 271 O PRO A 15 0.538 -18.515 -17.364 1.00 0.00 O ATOM 272 CB PRO A 15 -1.424 -21.104 -16.849 1.00 0.00 C ATOM 273 CG PRO A 15 -1.408 -21.355 -18.321 1.00 0.00 C ATOM 274 CD PRO A 15 -2.176 -20.206 -18.971 1.00 0.00 C ATOM 0 HA PRO A 15 -2.112 -19.272 -15.839 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.526 -21.499 -16.374 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.276 -21.594 -16.377 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.385 -21.397 -18.695 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.873 -22.313 -18.555 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.732 -19.918 -19.924 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.212 -20.481 -19.171 1.00 0.00 H new ATOM 282 N TYR A 16 0.314 -19.021 -15.182 1.00 0.00 N ATOM 283 CA TYR A 16 1.624 -18.483 -14.825 1.00 0.00 C ATOM 284 C TYR A 16 2.219 -19.239 -13.639 1.00 0.00 C ATOM 285 O TYR A 16 3.431 -19.439 -13.566 1.00 0.00 O ATOM 286 CB TYR A 16 1.500 -16.999 -14.480 1.00 0.00 C ATOM 287 CG TYR A 16 2.030 -16.170 -15.626 1.00 0.00 C ATOM 288 CD1 TYR A 16 3.412 -16.053 -15.822 1.00 0.00 C ATOM 289 CD2 TYR A 16 1.142 -15.522 -16.493 1.00 0.00 C ATOM 290 CE1 TYR A 16 3.905 -15.288 -16.884 1.00 0.00 C ATOM 291 CE2 TYR A 16 1.637 -14.755 -17.556 1.00 0.00 C ATOM 292 CZ TYR A 16 3.019 -14.639 -17.751 1.00 0.00 C ATOM 293 OH TYR A 16 3.506 -13.884 -18.799 1.00 0.00 O ATOM 0 H TYR A 16 -0.215 -19.409 -14.401 1.00 0.00 H new ATOM 0 HA TYR A 16 2.288 -18.604 -15.681 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.458 -16.746 -14.285 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.057 -16.779 -13.569 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.097 -16.553 -15.153 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.076 -15.613 -16.343 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.971 -15.198 -17.035 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.953 -14.253 -18.225 1.00 0.00 H new ATOM 0 HH TYR A 16 2.757 -13.503 -19.304 1.00 0.00 H new ATOM 303 N LYS A 17 1.359 -19.657 -12.714 1.00 0.00 N ATOM 304 CA LYS A 17 1.806 -20.392 -11.536 1.00 0.00 C ATOM 305 C LYS A 17 2.625 -19.496 -10.608 1.00 0.00 C ATOM 306 O LYS A 17 2.426 -19.505 -9.393 1.00 0.00 O ATOM 307 CB LYS A 17 2.647 -21.598 -11.957 1.00 0.00 C ATOM 308 CG LYS A 17 1.903 -22.393 -13.031 1.00 0.00 C ATOM 309 CD LYS A 17 2.749 -23.596 -13.456 1.00 0.00 C ATOM 310 CE LYS A 17 3.040 -24.470 -12.234 1.00 0.00 C ATOM 311 NZ LYS A 17 3.302 -25.870 -12.674 1.00 0.00 N ATOM 0 H LYS A 17 0.352 -19.500 -12.758 1.00 0.00 H new ATOM 0 HA LYS A 17 0.922 -20.734 -10.997 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.612 -21.265 -12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.848 -22.233 -11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.940 -22.730 -12.647 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.698 -21.757 -13.892 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.222 -24.175 -14.214 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.683 -23.257 -13.905 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.902 -24.081 -11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.194 -24.446 -11.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.500 -26.464 -11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.467 -26.239 -13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.122 -25.885 -13.313 1.00 0.00 H new ATOM 325 N SER A 18 3.542 -18.726 -11.182 1.00 0.00 N ATOM 326 CA SER A 18 4.378 -17.835 -10.383 1.00 0.00 C ATOM 327 C SER A 18 3.650 -16.526 -10.108 1.00 0.00 C ATOM 328 O SER A 18 3.686 -16.006 -8.993 1.00 0.00 O ATOM 329 CB SER A 18 5.688 -17.547 -11.117 1.00 0.00 C ATOM 330 OG SER A 18 6.103 -16.215 -10.836 1.00 0.00 O ATOM 0 H SER A 18 3.725 -18.699 -12.185 1.00 0.00 H new ATOM 0 HA SER A 18 4.595 -18.325 -9.434 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.457 -18.253 -10.803 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.553 -17.679 -12.191 1.00 0.00 H new ATOM 0 HG SER A 18 6.944 -16.029 -11.304 1.00 0.00 H new ATOM 336 N GLU A 19 2.989 -16.001 -11.130 1.00 0.00 N ATOM 337 CA GLU A 19 2.251 -14.752 -10.991 1.00 0.00 C ATOM 338 C GLU A 19 1.257 -14.839 -9.840 1.00 0.00 C ATOM 339 O GLU A 19 0.948 -13.838 -9.194 1.00 0.00 O ATOM 340 CB GLU A 19 1.509 -14.447 -12.295 1.00 0.00 C ATOM 341 CG GLU A 19 0.678 -13.173 -12.136 1.00 0.00 C ATOM 342 CD GLU A 19 1.204 -12.086 -13.067 1.00 0.00 C ATOM 343 OE1 GLU A 19 0.395 -11.334 -13.585 1.00 0.00 O ATOM 344 OE2 GLU A 19 2.410 -12.018 -13.246 1.00 0.00 O ATOM 0 H GLU A 19 2.948 -16.417 -12.060 1.00 0.00 H new ATOM 0 HA GLU A 19 2.958 -13.951 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.223 -14.327 -13.110 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.862 -15.283 -12.559 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.368 -13.381 -12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.719 -12.829 -11.103 1.00 0.00 H new ATOM 351 N CYS A 20 0.762 -16.041 -9.584 1.00 0.00 N ATOM 352 CA CYS A 20 -0.194 -16.237 -8.504 1.00 0.00 C ATOM 353 C CYS A 20 0.530 -16.373 -7.171 1.00 0.00 C ATOM 354 O CYS A 20 0.230 -15.656 -6.215 1.00 0.00 O ATOM 355 CB CYS A 20 -1.032 -17.486 -8.763 1.00 0.00 C ATOM 356 SG CYS A 20 -1.996 -17.875 -7.283 1.00 0.00 S ATOM 0 H CYS A 20 1.003 -16.886 -10.102 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.850 -15.367 -8.463 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.696 -17.323 -9.612 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.386 -18.325 -9.021 1.00 0.00 H new ATOM 361 N LEU A 21 1.491 -17.288 -7.111 1.00 0.00 N ATOM 362 CA LEU A 21 2.251 -17.490 -5.886 1.00 0.00 C ATOM 363 C LEU A 21 2.592 -16.139 -5.271 1.00 0.00 C ATOM 364 O LEU A 21 2.793 -16.025 -4.061 1.00 0.00 O ATOM 365 CB LEU A 21 3.535 -18.266 -6.187 1.00 0.00 C ATOM 366 CG LEU A 21 4.311 -18.502 -4.891 1.00 0.00 C ATOM 367 CD1 LEU A 21 3.500 -19.412 -3.967 1.00 0.00 C ATOM 368 CD2 LEU A 21 5.648 -19.172 -5.216 1.00 0.00 C ATOM 0 H LEU A 21 1.759 -17.894 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 21 1.651 -18.066 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.293 -19.220 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.150 -17.710 -6.894 1.00 0.00 H new ATOM 0 HG LEU A 21 4.489 -17.548 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.054 -19.580 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.545 -18.939 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.322 -20.367 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.204 -19.342 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.466 -20.126 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.228 -18.526 -5.875 1.00 0.00 H new ATOM 380 N LYS A 22 2.640 -15.116 -6.117 1.00 0.00 N ATOM 381 CA LYS A 22 2.939 -13.765 -5.659 1.00 0.00 C ATOM 382 C LYS A 22 1.734 -13.195 -4.923 1.00 0.00 C ATOM 383 O LYS A 22 1.867 -12.605 -3.850 1.00 0.00 O ATOM 384 CB LYS A 22 3.279 -12.874 -6.856 1.00 0.00 C ATOM 385 CG LYS A 22 4.176 -11.717 -6.406 1.00 0.00 C ATOM 386 CD LYS A 22 4.721 -10.991 -7.639 1.00 0.00 C ATOM 387 CE LYS A 22 5.541 -9.775 -7.202 1.00 0.00 C ATOM 388 NZ LYS A 22 6.004 -9.966 -5.799 1.00 0.00 N ATOM 0 H LYS A 22 2.476 -15.196 -7.121 1.00 0.00 H new ATOM 0 HA LYS A 22 3.793 -13.798 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.784 -13.459 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.364 -12.484 -7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.611 -11.025 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.999 -12.094 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.341 -11.668 -8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.898 -10.675 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.397 -9.643 -7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.938 -8.870 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.696 -9.228 -5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.191 -9.902 -5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.448 -10.902 -5.704 1.00 0.00 H new ATOM 402 N ALA A 23 0.557 -13.383 -5.510 1.00 0.00 N ATOM 403 CA ALA A 23 -0.679 -12.894 -4.911 1.00 0.00 C ATOM 404 C ALA A 23 -0.794 -13.356 -3.461 1.00 0.00 C ATOM 405 O ALA A 23 -1.386 -12.671 -2.625 1.00 0.00 O ATOM 406 CB ALA A 23 -1.878 -13.408 -5.707 1.00 0.00 C ATOM 0 H ALA A 23 0.433 -13.869 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.665 -11.804 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.799 -13.040 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.811 -13.053 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.880 -14.498 -5.699 1.00 0.00 H new ATOM 412 N CYS A 24 -0.223 -14.522 -3.168 1.00 0.00 N ATOM 413 CA CYS A 24 -0.269 -15.065 -1.815 1.00 0.00 C ATOM 414 C CYS A 24 0.713 -14.325 -0.913 1.00 0.00 C ATOM 415 O CYS A 24 0.353 -13.870 0.172 1.00 0.00 O ATOM 416 CB CYS A 24 0.078 -16.557 -1.836 1.00 0.00 C ATOM 417 SG CYS A 24 -0.910 -17.427 -0.593 1.00 0.00 S ATOM 0 H CYS A 24 0.273 -15.104 -3.843 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.278 -14.935 -1.424 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.116 -16.972 -2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.140 -16.697 -1.634 1.00 0.00 H new ATOM 422 N ALA A 25 1.955 -14.206 -1.373 1.00 0.00 N ATOM 423 CA ALA A 25 2.980 -13.514 -0.601 1.00 0.00 C ATOM 424 C ALA A 25 2.731 -12.010 -0.620 1.00 0.00 C ATOM 425 O ALA A 25 3.225 -11.277 0.237 1.00 0.00 O ATOM 426 CB ALA A 25 4.362 -13.813 -1.183 1.00 0.00 C ATOM 0 H ALA A 25 2.273 -14.576 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 25 2.938 -13.867 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.122 -13.292 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.548 -14.886 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.402 -13.474 -2.218 1.00 0.00 H new ATOM 432 N THR A 26 1.961 -11.560 -1.605 1.00 0.00 N ATOM 433 CA THR A 26 1.647 -10.143 -1.734 1.00 0.00 C ATOM 434 C THR A 26 0.723 -9.695 -0.607 1.00 0.00 C ATOM 435 O THR A 26 0.555 -8.498 -0.368 1.00 0.00 O ATOM 436 CB THR A 26 0.974 -9.883 -3.082 1.00 0.00 C ATOM 437 OG1 THR A 26 1.887 -10.177 -4.130 1.00 0.00 O ATOM 438 CG2 THR A 26 0.550 -8.416 -3.170 1.00 0.00 C ATOM 0 H THR A 26 1.545 -12.154 -2.322 1.00 0.00 H new ATOM 0 HA THR A 26 2.575 -9.575 -1.674 1.00 0.00 H new ATOM 0 HB THR A 26 0.094 -10.519 -3.176 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.303 -11.049 -3.967 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.071 -8.233 -4.132 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.151 -8.191 -2.366 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.428 -7.777 -3.075 1.00 0.00 H new ATOM 446 N SER A 27 0.125 -10.660 0.083 1.00 0.00 N ATOM 447 CA SER A 27 -0.780 -10.348 1.181 1.00 0.00 C ATOM 448 C SER A 27 -0.277 -9.134 1.958 1.00 0.00 C ATOM 449 O SER A 27 -0.828 -8.039 1.842 1.00 0.00 O ATOM 450 CB SER A 27 -0.896 -11.547 2.122 1.00 0.00 C ATOM 451 OG SER A 27 -1.192 -11.086 3.434 1.00 0.00 O ATOM 0 H SER A 27 0.249 -11.656 -0.097 1.00 0.00 H new ATOM 0 HA SER A 27 -1.761 -10.120 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.679 -12.222 1.776 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.035 -12.114 2.124 1.00 0.00 H new ATOM 0 HG SER A 27 -1.269 -11.852 4.040 1.00 0.00 H new ATOM 457 N PHE A 28 0.770 -9.337 2.748 1.00 0.00 N ATOM 458 CA PHE A 28 1.339 -8.252 3.539 1.00 0.00 C ATOM 459 C PHE A 28 0.309 -7.712 4.527 1.00 0.00 C ATOM 460 O PHE A 28 -0.559 -6.920 4.164 1.00 0.00 O ATOM 461 CB PHE A 28 1.802 -7.124 2.615 1.00 0.00 C ATOM 462 CG PHE A 28 3.044 -6.482 3.184 1.00 0.00 C ATOM 463 CD1 PHE A 28 3.035 -5.125 3.528 1.00 0.00 C ATOM 464 CD2 PHE A 28 4.205 -7.243 3.367 1.00 0.00 C ATOM 465 CE1 PHE A 28 4.187 -4.529 4.054 1.00 0.00 C ATOM 466 CE2 PHE A 28 5.357 -6.646 3.894 1.00 0.00 C ATOM 467 CZ PHE A 28 5.349 -5.289 4.238 1.00 0.00 C ATOM 0 H PHE A 28 1.240 -10.236 2.858 1.00 0.00 H new ATOM 0 HA PHE A 28 2.191 -8.640 4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.007 -7.517 1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.012 -6.380 2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.139 -4.538 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.212 -8.290 3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.180 -3.482 4.318 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.252 -7.233 4.035 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.237 -4.829 4.645 1.00 0.00 H new ATOM 477 N THR A 29 0.411 -8.147 5.779 1.00 0.00 N ATOM 478 CA THR A 29 -0.517 -7.700 6.811 1.00 0.00 C ATOM 479 C THR A 29 -0.035 -8.131 8.192 1.00 0.00 C ATOM 480 O THR A 29 -0.782 -8.070 9.169 1.00 0.00 O ATOM 481 CB THR A 29 -1.910 -8.281 6.550 1.00 0.00 C ATOM 482 OG1 THR A 29 -1.993 -8.714 5.200 1.00 0.00 O ATOM 483 CG2 THR A 29 -2.969 -7.209 6.812 1.00 0.00 C ATOM 0 H THR A 29 1.122 -8.804 6.102 1.00 0.00 H new ATOM 0 HA THR A 29 -0.565 -6.612 6.780 1.00 0.00 H new ATOM 0 HB THR A 29 -2.083 -9.127 7.215 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.583 -9.600 5.115 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.960 -7.623 6.626 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.903 -6.878 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.800 -6.361 6.149 1.00 0.00 H new ATOM 491 N GLY A 30 1.220 -8.562 8.266 1.00 0.00 N ATOM 492 CA GLY A 30 1.795 -8.998 9.532 1.00 0.00 C ATOM 493 C GLY A 30 3.118 -8.290 9.799 1.00 0.00 C ATOM 494 O GLY A 30 3.149 -7.085 10.051 1.00 0.00 O ATOM 0 H GLY A 30 1.854 -8.618 7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.097 -8.792 10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.952 -10.076 9.513 1.00 0.00 H new ATOM 498 N GLY A 31 4.210 -9.045 9.740 1.00 0.00 N ATOM 499 CA GLY A 31 5.532 -8.479 9.974 1.00 0.00 C ATOM 500 C GLY A 31 6.459 -8.765 8.799 1.00 0.00 C ATOM 501 O GLY A 31 7.400 -8.014 8.539 1.00 0.00 O ATOM 0 H GLY A 31 4.206 -10.044 9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.450 -7.403 10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.955 -8.897 10.887 1.00 0.00 H new ATOM 505 N ASP A 32 6.184 -9.857 8.093 1.00 0.00 N ATOM 506 CA ASP A 32 6.995 -10.239 6.944 1.00 0.00 C ATOM 507 C ASP A 32 6.462 -11.525 6.322 1.00 0.00 C ATOM 508 O ASP A 32 5.261 -11.792 6.362 1.00 0.00 O ATOM 509 CB ASP A 32 8.449 -10.445 7.374 1.00 0.00 C ATOM 510 CG ASP A 32 9.385 -10.145 6.209 1.00 0.00 C ATOM 511 OD1 ASP A 32 8.987 -9.394 5.333 1.00 0.00 O ATOM 512 OD2 ASP A 32 10.486 -10.672 6.208 1.00 0.00 O ATOM 0 H ASP A 32 5.410 -10.490 8.295 1.00 0.00 H new ATOM 0 HA ASP A 32 6.946 -9.439 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.683 -9.794 8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.595 -11.471 7.713 1.00 0.00 H new ATOM 517 N GLU A 33 7.360 -12.319 5.751 1.00 0.00 N ATOM 518 CA GLU A 33 6.964 -13.577 5.129 1.00 0.00 C ATOM 519 C GLU A 33 6.139 -14.411 6.101 1.00 0.00 C ATOM 520 O GLU A 33 5.264 -15.173 5.690 1.00 0.00 O ATOM 521 CB GLU A 33 8.204 -14.364 4.701 1.00 0.00 C ATOM 522 CG GLU A 33 9.000 -13.544 3.682 1.00 0.00 C ATOM 523 CD GLU A 33 9.934 -12.580 4.404 1.00 0.00 C ATOM 524 OE1 GLU A 33 10.404 -12.930 5.475 1.00 0.00 O ATOM 525 OE2 GLU A 33 10.166 -11.503 3.878 1.00 0.00 O ATOM 0 H GLU A 33 8.359 -12.117 5.706 1.00 0.00 H new ATOM 0 HA GLU A 33 6.359 -13.354 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.824 -14.587 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.910 -15.319 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.577 -14.209 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.318 -12.989 3.038 1.00 0.00 H new ATOM 532 N SER A 34 6.419 -14.260 7.391 1.00 0.00 N ATOM 533 CA SER A 34 5.686 -15.007 8.405 1.00 0.00 C ATOM 534 C SER A 34 4.210 -15.073 8.036 1.00 0.00 C ATOM 535 O SER A 34 3.446 -14.153 8.321 1.00 0.00 O ATOM 536 CB SER A 34 5.851 -14.343 9.772 1.00 0.00 C ATOM 537 OG SER A 34 6.948 -13.440 9.728 1.00 0.00 O ATOM 0 H SER A 34 7.139 -13.636 7.755 1.00 0.00 H new ATOM 0 HA SER A 34 6.087 -16.019 8.454 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.939 -13.812 10.043 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.019 -15.100 10.538 1.00 0.00 H new ATOM 0 HG SER A 34 7.055 -13.012 10.603 1.00 0.00 H new ATOM 543 N ARG A 35 3.831 -16.168 7.391 1.00 0.00 N ATOM 544 CA ARG A 35 2.455 -16.374 6.956 1.00 0.00 C ATOM 545 C ARG A 35 2.452 -17.305 5.753 1.00 0.00 C ATOM 546 O ARG A 35 1.492 -18.037 5.513 1.00 0.00 O ATOM 547 CB ARG A 35 1.806 -15.041 6.568 1.00 0.00 C ATOM 548 CG ARG A 35 0.965 -14.520 7.736 1.00 0.00 C ATOM 549 CD ARG A 35 0.947 -12.991 7.709 1.00 0.00 C ATOM 550 NE ARG A 35 -0.218 -12.487 8.427 1.00 0.00 N ATOM 551 CZ ARG A 35 -1.447 -12.664 7.954 1.00 0.00 C ATOM 552 NH1 ARG A 35 -2.473 -12.206 8.615 1.00 0.00 N ATOM 553 NH2 ARG A 35 -1.628 -13.299 6.827 1.00 0.00 N ATOM 0 H ARG A 35 4.463 -16.933 7.156 1.00 0.00 H new ATOM 0 HA ARG A 35 1.885 -16.813 7.775 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.574 -14.313 6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.179 -15.173 5.686 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.051 -14.908 7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.378 -14.873 8.681 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.859 -12.602 8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.928 -12.639 6.678 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.087 -11.990 9.308 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.333 -11.711 9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.416 -12.342 8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.826 -13.659 6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.571 -13.435 6.464 1.00 0.00 H new ATOM 567 N ILE A 36 3.553 -17.269 5.006 1.00 0.00 N ATOM 568 CA ILE A 36 3.702 -18.111 3.830 1.00 0.00 C ATOM 569 C ILE A 36 5.116 -18.676 3.762 1.00 0.00 C ATOM 570 O ILE A 36 5.322 -19.878 3.903 1.00 0.00 O ATOM 571 CB ILE A 36 3.419 -17.308 2.557 1.00 0.00 C ATOM 572 CG1 ILE A 36 2.364 -16.233 2.840 1.00 0.00 C ATOM 573 CG2 ILE A 36 2.902 -18.247 1.467 1.00 0.00 C ATOM 574 CD1 ILE A 36 1.009 -16.898 3.095 1.00 0.00 C ATOM 0 H ILE A 36 4.352 -16.665 5.197 1.00 0.00 H new ATOM 0 HA ILE A 36 2.986 -18.930 3.905 1.00 0.00 H new ATOM 0 HB ILE A 36 4.341 -16.829 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.658 -15.640 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.291 -15.549 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.700 -17.676 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.653 -19.009 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.984 -18.727 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.260 -16.132 3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.714 -17.472 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.087 -17.564 3.954 1.00 0.00 H new ATOM 586 N GLN A 37 6.093 -17.808 3.551 1.00 0.00 N ATOM 587 CA GLN A 37 7.473 -18.261 3.466 1.00 0.00 C ATOM 588 C GLN A 37 7.655 -19.145 2.233 1.00 0.00 C ATOM 589 O GLN A 37 8.657 -19.045 1.525 1.00 0.00 O ATOM 590 CB GLN A 37 7.831 -19.058 4.721 1.00 0.00 C ATOM 591 CG GLN A 37 9.061 -18.449 5.392 1.00 0.00 C ATOM 592 CD GLN A 37 8.651 -17.253 6.246 1.00 0.00 C ATOM 593 OE1 GLN A 37 7.463 -17.042 6.489 1.00 0.00 O ATOM 594 NE2 GLN A 37 9.569 -16.455 6.718 1.00 0.00 N ATOM 0 H GLN A 37 5.961 -16.803 3.437 1.00 0.00 H new ATOM 0 HA GLN A 37 8.128 -17.393 3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.990 -19.057 5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.027 -20.098 4.458 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.555 -19.197 6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.781 -18.136 4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.553 -16.633 6.515 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.303 -15.654 7.290 1.00 0.00 H new ATOM 603 N GLU A 38 6.672 -20.008 1.989 1.00 0.00 N ATOM 604 CA GLU A 38 6.715 -20.910 0.848 1.00 0.00 C ATOM 605 C GLU A 38 5.305 -21.334 0.453 1.00 0.00 C ATOM 606 O GLU A 38 4.434 -21.501 1.306 1.00 0.00 O ATOM 607 CB GLU A 38 7.531 -22.154 1.194 1.00 0.00 C ATOM 608 CG GLU A 38 7.402 -23.179 0.066 1.00 0.00 C ATOM 609 CD GLU A 38 8.428 -24.293 0.251 1.00 0.00 C ATOM 610 OE1 GLU A 38 8.560 -25.105 -0.650 1.00 0.00 O ATOM 611 OE2 GLU A 38 9.066 -24.316 1.290 1.00 0.00 O ATOM 0 H GLU A 38 5.837 -20.099 2.568 1.00 0.00 H new ATOM 0 HA GLU A 38 7.181 -20.385 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.578 -21.887 1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.179 -22.583 2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.396 -23.598 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.552 -22.692 -0.898 1.00 0.00 H new ATOM 618 N GLY A 39 5.091 -21.510 -0.843 1.00 0.00 N ATOM 619 CA GLY A 39 3.786 -21.920 -1.341 1.00 0.00 C ATOM 620 C GLY A 39 3.911 -22.590 -2.703 1.00 0.00 C ATOM 621 O GLY A 39 4.927 -22.450 -3.384 1.00 0.00 O ATOM 0 H GLY A 39 5.799 -21.376 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.322 -22.608 -0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.132 -21.051 -1.417 1.00 0.00 H new ATOM 625 N LYS A 40 2.871 -23.317 -3.096 1.00 0.00 N ATOM 626 CA LYS A 40 2.877 -24.004 -4.380 1.00 0.00 C ATOM 627 C LYS A 40 1.831 -23.389 -5.309 1.00 0.00 C ATOM 628 O LYS A 40 0.936 -22.680 -4.851 1.00 0.00 O ATOM 629 CB LYS A 40 2.578 -25.491 -4.174 1.00 0.00 C ATOM 630 CG LYS A 40 3.853 -26.211 -3.731 1.00 0.00 C ATOM 631 CD LYS A 40 4.465 -26.949 -4.923 1.00 0.00 C ATOM 632 CE LYS A 40 5.952 -27.195 -4.660 1.00 0.00 C ATOM 633 NZ LYS A 40 6.389 -28.423 -5.384 1.00 0.00 N ATOM 0 H LYS A 40 2.020 -23.445 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 40 3.862 -23.896 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.798 -25.615 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.203 -25.929 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.568 -25.493 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.626 -26.916 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.951 -27.897 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.338 -26.362 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.537 -26.337 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.129 -27.308 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.400 -28.590 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.838 -29.239 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.234 -28.298 -6.405 1.00 0.00 H new ATOM 647 N PRO A 41 1.917 -23.637 -6.594 1.00 0.00 N ATOM 648 CA PRO A 41 0.956 -23.093 -7.581 1.00 0.00 C ATOM 649 C PRO A 41 -0.148 -24.087 -7.926 1.00 0.00 C ATOM 650 O PRO A 41 -0.050 -25.276 -7.625 1.00 0.00 O ATOM 651 CB PRO A 41 1.847 -22.867 -8.790 1.00 0.00 C ATOM 652 CG PRO A 41 2.821 -24.003 -8.750 1.00 0.00 C ATOM 653 CD PRO A 41 2.942 -24.444 -7.278 1.00 0.00 C ATOM 0 HA PRO A 41 0.435 -22.207 -7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.270 -22.870 -9.715 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.356 -21.905 -8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.476 -24.829 -9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.790 -23.693 -9.140 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.756 -25.512 -7.162 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.938 -24.249 -6.881 1.00 0.00 H new ATOM 661 N GLY A 42 -1.193 -23.582 -8.563 1.00 0.00 N ATOM 662 CA GLY A 42 -2.320 -24.417 -8.958 1.00 0.00 C ATOM 663 C GLY A 42 -3.078 -23.788 -10.121 1.00 0.00 C ATOM 664 O GLY A 42 -2.917 -22.602 -10.411 1.00 0.00 O ATOM 0 H GLY A 42 -1.286 -22.599 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.963 -25.406 -9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.992 -24.553 -8.111 1.00 0.00 H new ATOM 668 N PHE A 43 -3.908 -24.586 -10.784 1.00 0.00 N ATOM 669 CA PHE A 43 -4.686 -24.090 -11.912 1.00 0.00 C ATOM 670 C PHE A 43 -5.990 -23.469 -11.423 1.00 0.00 C ATOM 671 O PHE A 43 -6.766 -24.113 -10.717 1.00 0.00 O ATOM 672 CB PHE A 43 -4.992 -25.232 -12.882 1.00 0.00 C ATOM 673 CG PHE A 43 -3.911 -26.283 -12.783 1.00 0.00 C ATOM 674 CD1 PHE A 43 -2.566 -25.900 -12.713 1.00 0.00 C ATOM 675 CD2 PHE A 43 -4.254 -27.641 -12.759 1.00 0.00 C ATOM 676 CE1 PHE A 43 -1.565 -26.874 -12.620 1.00 0.00 C ATOM 677 CE2 PHE A 43 -3.251 -28.615 -12.667 1.00 0.00 C ATOM 678 CZ PHE A 43 -1.907 -28.231 -12.598 1.00 0.00 C ATOM 0 H PHE A 43 -4.058 -25.570 -10.562 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.102 -23.328 -12.428 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.962 -25.671 -12.649 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.051 -24.851 -13.902 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.301 -24.853 -12.731 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.291 -27.937 -12.811 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.528 -26.578 -12.565 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.515 -29.662 -12.649 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.134 -28.982 -12.528 1.00 0.00 H new ATOM 688 N PHE A 44 -6.226 -22.217 -11.800 1.00 0.00 N ATOM 689 CA PHE A 44 -7.441 -21.527 -11.385 1.00 0.00 C ATOM 690 C PHE A 44 -7.370 -21.173 -9.903 1.00 0.00 C ATOM 691 O PHE A 44 -8.319 -20.634 -9.333 1.00 0.00 O ATOM 692 CB PHE A 44 -8.657 -22.417 -11.648 1.00 0.00 C ATOM 693 CG PHE A 44 -8.366 -23.333 -12.814 1.00 0.00 C ATOM 694 CD1 PHE A 44 -7.569 -22.884 -13.875 1.00 0.00 C ATOM 695 CD2 PHE A 44 -8.892 -24.631 -12.834 1.00 0.00 C ATOM 696 CE1 PHE A 44 -7.300 -23.733 -14.956 1.00 0.00 C ATOM 697 CE2 PHE A 44 -8.622 -25.480 -13.916 1.00 0.00 C ATOM 698 CZ PHE A 44 -7.826 -25.030 -14.976 1.00 0.00 C ATOM 0 H PHE A 44 -5.600 -21.665 -12.386 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.536 -20.606 -11.961 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.891 -23.004 -10.760 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.531 -21.803 -11.863 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.162 -21.884 -13.859 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.506 -24.978 -12.016 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.686 -23.387 -15.775 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.028 -26.481 -13.932 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.618 -25.684 -15.810 1.00 0.00 H new ATOM 708 N LYS A 45 -6.233 -21.480 -9.287 1.00 0.00 N ATOM 709 CA LYS A 45 -6.032 -21.195 -7.872 1.00 0.00 C ATOM 710 C LYS A 45 -4.623 -21.596 -7.449 1.00 0.00 C ATOM 711 O LYS A 45 -3.836 -22.080 -8.264 1.00 0.00 O ATOM 712 CB LYS A 45 -7.058 -21.957 -7.034 1.00 0.00 C ATOM 713 CG LYS A 45 -6.976 -23.450 -7.358 1.00 0.00 C ATOM 714 CD LYS A 45 -8.371 -23.976 -7.694 1.00 0.00 C ATOM 715 CE LYS A 45 -8.366 -25.505 -7.650 1.00 0.00 C ATOM 716 NZ LYS A 45 -9.236 -26.033 -8.739 1.00 0.00 N ATOM 0 H LYS A 45 -5.438 -21.926 -9.745 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.160 -20.125 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.870 -21.794 -5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.061 -21.584 -7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.302 -23.614 -8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.565 -23.995 -6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.099 -23.584 -6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.672 -23.631 -8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.349 -25.880 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.725 -25.853 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.234 -27.073 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.207 -25.685 -8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.874 -25.711 -9.659 1.00 0.00 H new ATOM 730 N CYS A 46 -4.303 -21.389 -6.176 1.00 0.00 N ATOM 731 CA CYS A 46 -2.976 -21.732 -5.673 1.00 0.00 C ATOM 732 C CYS A 46 -3.003 -21.951 -4.169 1.00 0.00 C ATOM 733 O CYS A 46 -3.777 -21.319 -3.452 1.00 0.00 O ATOM 734 CB CYS A 46 -1.992 -20.614 -6.009 1.00 0.00 C ATOM 735 SG CYS A 46 -2.517 -19.806 -7.539 1.00 0.00 S ATOM 0 H CYS A 46 -4.934 -20.991 -5.481 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.658 -22.659 -6.151 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.953 -19.890 -5.195 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.987 -21.019 -6.123 1.00 0.00 H new ATOM 740 N THR A 47 -2.147 -22.851 -3.699 1.00 0.00 N ATOM 741 CA THR A 47 -2.072 -23.155 -2.275 1.00 0.00 C ATOM 742 C THR A 47 -0.733 -22.710 -1.694 1.00 0.00 C ATOM 743 O THR A 47 0.324 -22.989 -2.260 1.00 0.00 O ATOM 744 CB THR A 47 -2.244 -24.660 -2.054 1.00 0.00 C ATOM 745 OG1 THR A 47 -1.303 -25.361 -2.854 1.00 0.00 O ATOM 746 CG2 THR A 47 -3.661 -25.079 -2.445 1.00 0.00 C ATOM 0 H THR A 47 -1.498 -23.381 -4.280 1.00 0.00 H new ATOM 0 HA THR A 47 -2.872 -22.614 -1.769 1.00 0.00 H new ATOM 0 HB THR A 47 -2.078 -24.895 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.448 -24.882 -2.849 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.780 -26.151 -2.287 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.382 -24.539 -1.832 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.832 -24.846 -3.496 1.00 0.00 H new ATOM 754 N CYS A 48 -0.786 -22.025 -0.558 1.00 0.00 N ATOM 755 CA CYS A 48 0.430 -21.555 0.098 1.00 0.00 C ATOM 756 C CYS A 48 0.490 -22.084 1.527 1.00 0.00 C ATOM 757 O CYS A 48 -0.543 -22.360 2.136 1.00 0.00 O ATOM 758 CB CYS A 48 0.467 -20.026 0.113 1.00 0.00 C ATOM 759 SG CYS A 48 -0.723 -19.377 -1.087 1.00 0.00 S ATOM 0 H CYS A 48 -1.651 -21.783 -0.074 1.00 0.00 H new ATOM 0 HA CYS A 48 1.291 -21.925 -0.458 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.231 -19.656 1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.470 -19.674 -0.128 1.00 0.00 H new ATOM 764 N TYR A 49 1.700 -22.225 2.063 1.00 0.00 N ATOM 765 CA TYR A 49 1.859 -22.723 3.425 1.00 0.00 C ATOM 766 C TYR A 49 2.869 -21.871 4.176 1.00 0.00 C ATOM 767 O TYR A 49 3.744 -21.269 3.565 1.00 0.00 O ATOM 768 CB TYR A 49 2.327 -24.179 3.398 1.00 0.00 C ATOM 769 CG TYR A 49 1.337 -25.007 2.614 1.00 0.00 C ATOM 770 CD1 TYR A 49 1.333 -24.953 1.215 1.00 0.00 C ATOM 771 CD2 TYR A 49 0.422 -25.826 3.287 1.00 0.00 C ATOM 772 CE1 TYR A 49 0.413 -25.717 0.488 1.00 0.00 C ATOM 773 CE2 TYR A 49 -0.497 -26.591 2.559 1.00 0.00 C ATOM 774 CZ TYR A 49 -0.502 -26.537 1.161 1.00 0.00 C ATOM 775 OH TYR A 49 -1.408 -27.290 0.445 1.00 0.00 O ATOM 0 H TYR A 49 2.572 -22.005 1.583 1.00 0.00 H new ATOM 0 HA TYR A 49 0.897 -22.667 3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.316 -24.247 2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.416 -24.563 4.414 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.040 -24.322 0.697 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.425 -25.867 4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.408 -25.674 -0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.203 -27.223 3.077 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.969 -27.803 1.064 1.00 0.00 H new ATOM 785 N PHE A 50 2.740 -21.815 5.499 1.00 0.00 N ATOM 786 CA PHE A 50 3.655 -21.015 6.307 1.00 0.00 C ATOM 787 C PHE A 50 4.733 -21.892 6.937 1.00 0.00 C ATOM 788 O PHE A 50 4.476 -22.609 7.904 1.00 0.00 O ATOM 789 CB PHE A 50 2.881 -20.280 7.404 1.00 0.00 C ATOM 790 CG PHE A 50 3.829 -19.611 8.383 1.00 0.00 C ATOM 791 CD1 PHE A 50 5.162 -19.330 8.029 1.00 0.00 C ATOM 792 CD2 PHE A 50 3.364 -19.261 9.658 1.00 0.00 C ATOM 793 CE1 PHE A 50 6.014 -18.704 8.948 1.00 0.00 C ATOM 794 CE2 PHE A 50 4.220 -18.638 10.574 1.00 0.00 C ATOM 795 CZ PHE A 50 5.543 -18.360 10.219 1.00 0.00 C ATOM 0 H PHE A 50 2.021 -22.307 6.029 1.00 0.00 H new ATOM 0 HA PHE A 50 4.138 -20.287 5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.229 -19.531 6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.240 -20.983 7.936 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.528 -19.597 7.049 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.342 -19.473 9.935 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.036 -18.487 8.675 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.858 -18.372 11.556 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.202 -17.879 10.927 1.00 0.00 H new ATOM 805 N THR A 51 5.941 -21.826 6.384 1.00 0.00 N ATOM 806 CA THR A 51 7.053 -22.616 6.903 1.00 0.00 C ATOM 807 C THR A 51 7.373 -22.210 8.338 1.00 0.00 C ATOM 808 O THR A 51 8.154 -21.288 8.572 1.00 0.00 O ATOM 809 CB THR A 51 8.291 -22.416 6.026 1.00 0.00 C ATOM 810 OG1 THR A 51 7.926 -22.536 4.659 1.00 0.00 O ATOM 811 CG2 THR A 51 9.342 -23.472 6.368 1.00 0.00 C ATOM 0 H THR A 51 6.174 -21.239 5.583 1.00 0.00 H new ATOM 0 HA THR A 51 6.765 -23.667 6.889 1.00 0.00 H new ATOM 0 HB THR A 51 8.705 -21.424 6.208 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.718 -22.406 4.096 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.222 -23.326 5.741 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.624 -23.378 7.417 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.931 -24.466 6.190 1.00 0.00 H new ATOM 819 N THR A 52 6.763 -22.902 9.295 1.00 0.00 N ATOM 820 CA THR A 52 6.990 -22.601 10.705 1.00 0.00 C ATOM 821 C THR A 52 6.948 -23.876 11.542 1.00 0.00 C ATOM 822 O THR A 52 6.100 -24.743 11.330 1.00 0.00 O ATOM 823 CB THR A 52 5.925 -21.624 11.206 1.00 0.00 C ATOM 824 OG1 THR A 52 5.943 -21.593 12.626 1.00 0.00 O ATOM 825 CG2 THR A 52 4.547 -22.072 10.718 1.00 0.00 C ATOM 0 H THR A 52 6.113 -23.669 9.123 1.00 0.00 H new ATOM 0 HA THR A 52 7.977 -22.149 10.806 1.00 0.00 H new ATOM 0 HB THR A 52 6.136 -20.627 10.819 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.262 -20.966 12.948 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.790 -21.375 11.076 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.536 -22.092 9.628 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.332 -23.069 11.101 1.00 0.00 H new ATOM 833 N GLY A 53 7.871 -23.983 12.493 1.00 0.00 N ATOM 834 CA GLY A 53 7.932 -25.156 13.358 1.00 0.00 C ATOM 835 C GLY A 53 7.862 -24.752 14.827 1.00 0.00 C ATOM 836 O GLY A 53 6.844 -24.212 15.225 1.00 0.00 O ATOM 837 OXT GLY A 53 8.829 -24.989 15.532 1.00 0.00 O ATOM 0 H GLY A 53 8.582 -23.277 12.683 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.108 -25.830 13.122 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.856 -25.704 13.171 1.00 0.00 H new TER 841 GLY A 53