USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 451 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 48 THR OG1 : rot 180:sc= 0.48 USER MOD Set 1.2: A 50 THR OG1 : rot 69:sc= 0.513 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.976 K(o=1.9,f=-2.3!) USER MOD Set 2.2: A 33 TYR OH : rot -101:sc= 0.967 USER MOD Set 3.1: A 2 SER OG : rot 79:sc= -0.31 USER MOD Set 3.2: A 51 HIS : no HD1:sc= -4.64! C(o=-5!,f=-9!) USER MOD Single : A 1 ASP N :NH3+ -129:sc= 0.119 (180deg=0.0321) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 30:sc= -0.773 USER MOD Single : A 16 TYR OH : rot 171:sc= -1.65! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -0.0281 (180deg=-0.831) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.47) USER MOD Single : A 35 ASN : amide:sc= -7.42! C(o=-7.4!,f=-21!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -0.781 K(o=-0.78,f=-5.6!) USER MOD Single : A 43 ASN : amide:sc= -3.27 X(o=-3.3,f=-3.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc=-0.00464 K(o=-0.0046,f=-1.6!) USER MOD Single : A 54 SER OG : rot 13:sc= 0.787 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.303 -27.634 2.532 1.00 0.00 N ATOM 2 CA ASP A 1 2.065 -26.876 3.564 1.00 0.00 C ATOM 3 C ASP A 1 3.565 -27.084 3.347 1.00 0.00 C ATOM 4 O ASP A 1 3.988 -27.641 2.352 1.00 0.00 O ATOM 5 CB ASP A 1 1.679 -27.377 4.956 1.00 0.00 C ATOM 6 CG ASP A 1 0.205 -27.062 5.222 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.362 -26.296 4.460 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.330 -27.593 6.180 1.00 0.00 O ATOM 0 H1 ASP A 1 0.613 -27.003 2.076 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.961 -28.003 1.816 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.802 -28.426 2.983 1.00 0.00 H new ATOM 0 HA ASP A 1 1.829 -25.815 3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.851 -28.451 5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.305 -26.902 5.711 1.00 0.00 H new ATOM 15 N SER A 2 4.373 -26.639 4.268 1.00 0.00 N ATOM 16 CA SER A 2 5.845 -26.812 4.114 1.00 0.00 C ATOM 17 C SER A 2 6.175 -28.301 4.023 1.00 0.00 C ATOM 18 O SER A 2 7.096 -28.703 3.337 1.00 0.00 O ATOM 19 CB SER A 2 6.560 -26.206 5.322 1.00 0.00 C ATOM 20 OG SER A 2 6.730 -24.811 5.123 1.00 0.00 O ATOM 0 H SER A 2 4.078 -26.163 5.121 1.00 0.00 H new ATOM 0 HA SER A 2 6.176 -26.309 3.206 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.982 -26.387 6.228 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.529 -26.685 5.462 1.00 0.00 H new ATOM 0 HG SER A 2 5.889 -24.348 5.318 1.00 0.00 H new ATOM 26 N GLU A 3 5.430 -29.124 4.706 1.00 0.00 N ATOM 27 CA GLU A 3 5.701 -30.587 4.655 1.00 0.00 C ATOM 28 C GLU A 3 5.699 -31.046 3.197 1.00 0.00 C ATOM 29 O GLU A 3 6.330 -32.020 2.841 1.00 0.00 O ATOM 30 CB GLU A 3 4.614 -31.336 5.430 1.00 0.00 C ATOM 31 CG GLU A 3 5.266 -32.265 6.457 1.00 0.00 C ATOM 32 CD GLU A 3 4.231 -33.270 6.964 1.00 0.00 C ATOM 33 OE1 GLU A 3 3.099 -32.869 7.177 1.00 0.00 O ATOM 34 OE2 GLU A 3 4.587 -34.425 7.129 1.00 0.00 O ATOM 0 H GLU A 3 4.646 -28.847 5.297 1.00 0.00 H new ATOM 0 HA GLU A 3 6.672 -30.797 5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.956 -30.626 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.995 -31.913 4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.108 -32.790 6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.662 -31.684 7.289 1.00 0.00 H new ATOM 41 N MET A 4 4.999 -30.342 2.350 1.00 0.00 N ATOM 42 CA MET A 4 4.962 -30.728 0.913 1.00 0.00 C ATOM 43 C MET A 4 6.300 -30.370 0.266 1.00 0.00 C ATOM 44 O MET A 4 6.712 -30.968 -0.709 1.00 0.00 O ATOM 45 CB MET A 4 3.835 -29.973 0.206 1.00 0.00 C ATOM 46 CG MET A 4 3.619 -30.570 -1.185 1.00 0.00 C ATOM 47 SD MET A 4 2.307 -29.661 -2.037 1.00 0.00 S ATOM 48 CE MET A 4 2.231 -30.702 -3.516 1.00 0.00 C ATOM 0 H MET A 4 4.451 -29.516 2.592 1.00 0.00 H new ATOM 0 HA MET A 4 4.785 -31.800 0.826 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.916 -30.039 0.789 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.086 -28.915 0.125 1.00 0.00 H new ATOM 0 HG2 MET A 4 4.543 -30.520 -1.761 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.351 -31.623 -1.102 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.470 -30.316 -4.194 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.200 -30.695 -4.016 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.977 -31.723 -3.230 1.00 0.00 H new ATOM 58 N CYS A 5 6.984 -29.398 0.804 1.00 0.00 N ATOM 59 CA CYS A 5 8.296 -29.002 0.227 1.00 0.00 C ATOM 60 C CYS A 5 9.388 -29.933 0.758 1.00 0.00 C ATOM 61 O CYS A 5 10.482 -29.988 0.234 1.00 0.00 O ATOM 62 CB CYS A 5 8.620 -27.561 0.626 1.00 0.00 C ATOM 63 SG CYS A 5 7.206 -26.503 0.265 1.00 0.00 S ATOM 0 H CYS A 5 6.689 -28.861 1.620 1.00 0.00 H new ATOM 0 HA CYS A 5 8.249 -29.075 -0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.862 -27.512 1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.498 -27.211 0.083 1.00 0.00 H new ATOM 68 N LYS A 6 9.100 -30.662 1.800 1.00 0.00 N ATOM 69 CA LYS A 6 10.121 -31.587 2.365 1.00 0.00 C ATOM 70 C LYS A 6 10.161 -32.876 1.543 1.00 0.00 C ATOM 71 O LYS A 6 10.816 -33.831 1.908 1.00 0.00 O ATOM 72 CB LYS A 6 9.761 -31.924 3.812 1.00 0.00 C ATOM 73 CG LYS A 6 9.457 -30.639 4.581 1.00 0.00 C ATOM 74 CD LYS A 6 9.425 -30.947 6.079 1.00 0.00 C ATOM 75 CE LYS A 6 9.235 -29.651 6.867 1.00 0.00 C ATOM 76 NZ LYS A 6 10.565 -29.139 7.306 1.00 0.00 N ATOM 0 H LYS A 6 8.202 -30.657 2.284 1.00 0.00 H new ATOM 0 HA LYS A 6 11.098 -31.104 2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.896 -32.587 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.585 -32.457 4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.215 -29.885 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.500 -30.227 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.614 -31.641 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.352 -31.434 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.732 -28.907 6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.598 -29.829 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.438 -28.257 7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.028 -29.848 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.158 -28.954 6.472 1.00 0.00 H new ATOM 90 N ASP A 7 9.459 -32.922 0.442 1.00 0.00 N ATOM 91 CA ASP A 7 9.461 -34.165 -0.380 1.00 0.00 C ATOM 92 C ASP A 7 9.551 -33.817 -1.869 1.00 0.00 C ATOM 93 O ASP A 7 9.282 -34.642 -2.720 1.00 0.00 O ATOM 94 CB ASP A 7 8.170 -34.945 -0.117 1.00 0.00 C ATOM 95 CG ASP A 7 8.203 -35.529 1.297 1.00 0.00 C ATOM 96 OD1 ASP A 7 9.278 -35.584 1.871 1.00 0.00 O ATOM 97 OD2 ASP A 7 7.151 -35.911 1.784 1.00 0.00 O ATOM 0 H ASP A 7 8.889 -32.158 0.079 1.00 0.00 H new ATOM 0 HA ASP A 7 10.324 -34.771 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.307 -34.289 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.061 -35.745 -0.849 1.00 0.00 H new ATOM 102 N TYR A 8 9.927 -32.610 -2.199 1.00 0.00 N ATOM 103 CA TYR A 8 10.027 -32.243 -3.641 1.00 0.00 C ATOM 104 C TYR A 8 11.418 -31.671 -3.933 1.00 0.00 C ATOM 105 O TYR A 8 12.063 -31.106 -3.072 1.00 0.00 O ATOM 106 CB TYR A 8 8.937 -31.213 -3.993 1.00 0.00 C ATOM 107 CG TYR A 8 9.461 -29.800 -3.830 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.799 -29.322 -2.560 1.00 0.00 C ATOM 109 CD2 TYR A 8 9.611 -28.976 -4.952 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.288 -28.019 -2.411 1.00 0.00 C ATOM 111 CE2 TYR A 8 10.099 -27.673 -4.802 1.00 0.00 C ATOM 112 CZ TYR A 8 10.438 -27.194 -3.532 1.00 0.00 C ATOM 113 OH TYR A 8 10.919 -25.910 -3.384 1.00 0.00 O ATOM 0 H TYR A 8 10.167 -31.869 -1.540 1.00 0.00 H new ATOM 0 HA TYR A 8 9.878 -33.132 -4.253 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.603 -31.366 -5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 8 8.069 -31.361 -3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.683 -29.958 -1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.350 -29.346 -5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.550 -27.650 -1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.214 -27.037 -5.667 1.00 0.00 H new ATOM 0 HH TYR A 8 11.526 -25.875 -2.616 1.00 0.00 H new ATOM 123 N ARG A 9 11.875 -31.799 -5.148 1.00 0.00 N ATOM 124 CA ARG A 9 13.211 -31.250 -5.505 1.00 0.00 C ATOM 125 C ARG A 9 13.083 -30.440 -6.795 1.00 0.00 C ATOM 126 O ARG A 9 12.326 -30.783 -7.682 1.00 0.00 O ATOM 127 CB ARG A 9 14.207 -32.393 -5.713 1.00 0.00 C ATOM 128 CG ARG A 9 15.633 -31.836 -5.694 1.00 0.00 C ATOM 129 CD ARG A 9 16.633 -32.973 -5.924 1.00 0.00 C ATOM 130 NE ARG A 9 18.016 -32.419 -5.983 1.00 0.00 N ATOM 131 CZ ARG A 9 19.019 -33.198 -6.285 1.00 0.00 C ATOM 132 NH1 ARG A 9 19.987 -33.380 -5.429 1.00 0.00 N ATOM 133 NH2 ARG A 9 19.055 -33.795 -7.446 1.00 0.00 N ATOM 0 H ARG A 9 11.379 -32.261 -5.910 1.00 0.00 H new ATOM 0 HA ARG A 9 13.572 -30.611 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.087 -33.142 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.012 -32.891 -6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.747 -31.076 -6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.832 -31.351 -4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.558 -33.705 -5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.399 -33.494 -6.852 1.00 0.00 H new ATOM 0 HE ARG A 9 18.178 -31.431 -5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 9 19.961 -32.913 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 9 20.770 -33.989 -5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.300 -33.652 -8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.839 -34.404 -7.682 1.00 0.00 H new ATOM 147 N VAL A 10 13.811 -29.367 -6.905 1.00 0.00 N ATOM 148 CA VAL A 10 13.724 -28.535 -8.138 1.00 0.00 C ATOM 149 C VAL A 10 15.130 -28.206 -8.633 1.00 0.00 C ATOM 150 O VAL A 10 15.999 -27.837 -7.868 1.00 0.00 O ATOM 151 CB VAL A 10 12.974 -27.238 -7.829 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.085 -26.287 -9.023 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.500 -27.549 -7.561 1.00 0.00 C ATOM 0 H VAL A 10 14.462 -29.029 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 10 13.189 -29.088 -8.910 1.00 0.00 H new ATOM 0 HB VAL A 10 13.411 -26.769 -6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.551 -25.363 -8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.135 -26.063 -9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.649 -26.757 -9.904 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.967 -26.624 -7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.062 -28.020 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.420 -28.225 -6.710 1.00 0.00 H new ATOM 163 N LEU A 11 15.360 -28.334 -9.909 1.00 0.00 N ATOM 164 CA LEU A 11 16.709 -28.027 -10.458 1.00 0.00 C ATOM 165 C LEU A 11 16.609 -26.823 -11.396 1.00 0.00 C ATOM 166 O LEU A 11 15.533 -26.331 -11.673 1.00 0.00 O ATOM 167 CB LEU A 11 17.229 -29.238 -11.234 1.00 0.00 C ATOM 168 CG LEU A 11 18.366 -29.893 -10.449 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.853 -31.169 -9.777 1.00 0.00 C ATOM 170 CD2 LEU A 11 19.510 -30.245 -11.403 1.00 0.00 C ATOM 0 H LEU A 11 14.671 -28.638 -10.597 1.00 0.00 H new ATOM 0 HA LEU A 11 17.395 -27.798 -9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.423 -29.954 -11.395 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.582 -28.929 -12.218 1.00 0.00 H new ATOM 0 HG LEU A 11 18.727 -29.201 -9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.663 -31.636 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.039 -30.920 -9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.491 -31.861 -10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.320 -30.712 -10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.149 -30.937 -12.164 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.876 -29.337 -11.882 1.00 0.00 H new ATOM 182 N PRO A 12 17.756 -26.343 -11.893 1.00 0.00 N ATOM 183 CA PRO A 12 17.803 -25.192 -12.806 1.00 0.00 C ATOM 184 C PRO A 12 17.165 -25.517 -14.159 1.00 0.00 C ATOM 185 O PRO A 12 16.739 -24.637 -14.882 1.00 0.00 O ATOM 186 CB PRO A 12 19.301 -24.934 -12.977 1.00 0.00 C ATOM 187 CG PRO A 12 19.939 -26.249 -12.683 1.00 0.00 C ATOM 188 CD PRO A 12 19.099 -26.879 -11.612 1.00 0.00 C ATOM 0 HA PRO A 12 17.253 -24.335 -12.418 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.533 -24.596 -13.987 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.652 -24.160 -12.294 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.972 -26.876 -13.574 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.968 -26.118 -12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.120 -27.967 -11.669 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.443 -26.605 -10.615 1.00 0.00 H new ATOM 196 N ARG A 13 17.095 -26.772 -14.506 1.00 0.00 N ATOM 197 CA ARG A 13 16.484 -27.153 -15.811 1.00 0.00 C ATOM 198 C ARG A 13 15.062 -27.667 -15.580 1.00 0.00 C ATOM 199 O ARG A 13 14.239 -27.666 -16.474 1.00 0.00 O ATOM 200 CB ARG A 13 17.323 -28.254 -16.463 1.00 0.00 C ATOM 201 CG ARG A 13 18.726 -27.721 -16.754 1.00 0.00 C ATOM 202 CD ARG A 13 18.649 -26.651 -17.844 1.00 0.00 C ATOM 203 NE ARG A 13 20.026 -26.263 -18.257 1.00 0.00 N ATOM 204 CZ ARG A 13 20.201 -25.351 -19.173 1.00 0.00 C ATOM 205 NH1 ARG A 13 19.272 -24.460 -19.392 1.00 0.00 N ATOM 206 NH2 ARG A 13 21.303 -25.330 -19.871 1.00 0.00 N ATOM 0 H ARG A 13 17.435 -27.551 -13.942 1.00 0.00 H new ATOM 0 HA ARG A 13 16.453 -26.282 -16.465 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.381 -29.120 -15.804 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.850 -28.587 -17.387 1.00 0.00 H new ATOM 0 HG2 ARG A 13 19.162 -27.301 -15.848 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.377 -28.535 -17.074 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.094 -27.030 -18.702 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.109 -25.779 -17.475 1.00 0.00 H new ATOM 0 HE ARG A 13 20.833 -26.711 -17.823 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.410 -24.477 -18.847 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.408 -23.747 -20.108 1.00 0.00 H new ATOM 0 HH21 ARG A 13 22.028 -26.027 -19.701 1.00 0.00 H new ATOM 0 HH22 ARG A 13 21.440 -24.617 -20.587 1.00 0.00 H new ATOM 220 N ILE A 14 14.766 -28.110 -14.388 1.00 0.00 N ATOM 221 CA ILE A 14 13.397 -28.625 -14.103 1.00 0.00 C ATOM 222 C ILE A 14 12.500 -27.475 -13.641 1.00 0.00 C ATOM 223 O ILE A 14 11.376 -27.336 -14.080 1.00 0.00 O ATOM 224 CB ILE A 14 13.470 -29.686 -13.002 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.322 -30.864 -13.478 1.00 0.00 C ATOM 226 CG2 ILE A 14 12.059 -30.177 -12.676 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.595 -31.802 -12.300 1.00 0.00 C ATOM 0 H ILE A 14 15.413 -28.137 -13.600 1.00 0.00 H new ATOM 0 HA ILE A 14 12.982 -29.066 -15.009 1.00 0.00 H new ATOM 0 HB ILE A 14 13.921 -29.252 -12.110 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.807 -31.402 -14.274 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.262 -30.502 -13.895 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.109 -30.933 -11.892 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.452 -29.339 -12.334 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.609 -30.610 -13.569 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.202 -32.642 -12.637 1.00 0.00 H new ATOM 0 HD12 ILE A 14 15.128 -31.260 -11.519 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.650 -32.173 -11.904 1.00 0.00 H new ATOM 239 N GLY A 15 12.988 -26.651 -12.754 1.00 0.00 N ATOM 240 CA GLY A 15 12.161 -25.514 -12.260 1.00 0.00 C ATOM 241 C GLY A 15 11.139 -26.035 -11.248 1.00 0.00 C ATOM 242 O GLY A 15 11.244 -27.144 -10.762 1.00 0.00 O ATOM 0 H GLY A 15 13.923 -26.716 -12.351 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.798 -24.761 -11.796 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.651 -25.031 -13.094 1.00 0.00 H new ATOM 246 N TYR A 16 10.150 -25.247 -10.925 1.00 0.00 N ATOM 247 CA TYR A 16 9.126 -25.706 -9.945 1.00 0.00 C ATOM 248 C TYR A 16 7.920 -26.274 -10.695 1.00 0.00 C ATOM 249 O TYR A 16 7.610 -25.863 -11.796 1.00 0.00 O ATOM 250 CB TYR A 16 8.678 -24.529 -9.076 1.00 0.00 C ATOM 251 CG TYR A 16 8.324 -25.031 -7.696 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.194 -25.838 -7.514 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.130 -24.698 -6.600 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.869 -26.310 -6.238 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.803 -25.172 -5.322 1.00 0.00 C ATOM 256 CZ TYR A 16 7.673 -25.979 -5.142 1.00 0.00 C ATOM 257 OH TYR A 16 7.353 -26.448 -3.885 1.00 0.00 O ATOM 0 H TYR A 16 10.007 -24.308 -11.296 1.00 0.00 H new ATOM 0 HA TYR A 16 9.558 -26.479 -9.309 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.473 -23.786 -9.012 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.817 -24.036 -9.528 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.573 -26.096 -8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.002 -24.077 -6.739 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.996 -26.931 -6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.423 -24.915 -4.476 1.00 0.00 H new ATOM 0 HH TYR A 16 8.086 -26.249 -3.265 1.00 0.00 H new ATOM 267 N LEU A 17 7.237 -27.219 -10.108 1.00 0.00 N ATOM 268 CA LEU A 17 6.052 -27.814 -10.786 1.00 0.00 C ATOM 269 C LEU A 17 4.793 -27.530 -9.963 1.00 0.00 C ATOM 270 O LEU A 17 4.669 -27.954 -8.832 1.00 0.00 O ATOM 271 CB LEU A 17 6.246 -29.326 -10.915 1.00 0.00 C ATOM 272 CG LEU A 17 5.064 -29.930 -11.678 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.185 -29.584 -13.164 1.00 0.00 C ATOM 274 CD2 LEU A 17 5.068 -31.449 -11.507 1.00 0.00 C ATOM 0 H LEU A 17 7.449 -27.604 -9.188 1.00 0.00 H new ATOM 0 HA LEU A 17 5.943 -27.374 -11.777 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.178 -29.540 -11.438 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.324 -29.779 -9.927 1.00 0.00 H new ATOM 0 HG LEU A 17 4.133 -29.523 -11.284 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.344 -30.014 -13.707 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.181 -28.501 -13.287 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.117 -29.990 -13.557 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.226 -31.879 -12.050 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.999 -31.857 -11.900 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.981 -31.696 -10.449 1.00 0.00 H new ATOM 286 N CYS A 18 3.855 -26.820 -10.526 1.00 0.00 N ATOM 287 CA CYS A 18 2.600 -26.512 -9.783 1.00 0.00 C ATOM 288 C CYS A 18 1.399 -26.852 -10.667 1.00 0.00 C ATOM 289 O CYS A 18 1.504 -26.903 -11.877 1.00 0.00 O ATOM 290 CB CYS A 18 2.570 -25.025 -9.422 1.00 0.00 C ATOM 291 SG CYS A 18 3.998 -24.635 -8.381 1.00 0.00 S ATOM 0 H CYS A 18 3.903 -26.439 -11.471 1.00 0.00 H new ATOM 0 HA CYS A 18 2.560 -27.103 -8.868 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.589 -24.418 -10.327 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.646 -24.785 -8.897 1.00 0.00 H new ATOM 296 N PRO A 19 0.237 -27.095 -10.047 1.00 0.00 N ATOM 297 CA PRO A 19 -0.989 -27.438 -10.773 1.00 0.00 C ATOM 298 C PRO A 19 -1.547 -26.237 -11.537 1.00 0.00 C ATOM 299 O PRO A 19 -1.149 -25.111 -11.319 1.00 0.00 O ATOM 300 CB PRO A 19 -1.959 -27.852 -9.669 1.00 0.00 C ATOM 301 CG PRO A 19 -1.466 -27.148 -8.449 1.00 0.00 C ATOM 302 CD PRO A 19 0.028 -27.049 -8.589 1.00 0.00 C ATOM 0 HA PRO A 19 -0.819 -28.215 -11.519 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.981 -27.559 -9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.962 -28.933 -9.529 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.914 -26.158 -8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.736 -27.698 -7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.412 -26.125 -8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.534 -27.872 -8.084 1.00 0.00 H new ATOM 310 N LYS A 20 -2.465 -26.469 -12.431 1.00 0.00 N ATOM 311 CA LYS A 20 -3.045 -25.340 -13.207 1.00 0.00 C ATOM 312 C LYS A 20 -4.208 -24.732 -12.424 1.00 0.00 C ATOM 313 O LYS A 20 -4.593 -23.600 -12.643 1.00 0.00 O ATOM 314 CB LYS A 20 -3.549 -25.853 -14.558 1.00 0.00 C ATOM 315 CG LYS A 20 -2.379 -26.452 -15.342 1.00 0.00 C ATOM 316 CD LYS A 20 -2.867 -26.903 -16.720 1.00 0.00 C ATOM 317 CE LYS A 20 -1.736 -27.629 -17.450 1.00 0.00 C ATOM 318 NZ LYS A 20 -0.780 -26.630 -18.004 1.00 0.00 N ATOM 0 H LYS A 20 -2.839 -27.391 -12.658 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.281 -24.580 -13.372 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.324 -26.605 -14.408 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.001 -25.038 -15.123 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.584 -25.714 -15.449 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.958 -27.298 -14.799 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.728 -27.563 -16.614 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.195 -26.041 -17.301 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.219 -28.301 -16.765 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.143 -28.243 -18.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.011 -27.124 -18.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.278 -26.006 -18.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.383 -26.062 -17.228 1.00 0.00 H new ATOM 332 N ASP A 21 -4.770 -25.471 -11.508 1.00 0.00 N ATOM 333 CA ASP A 21 -5.904 -24.930 -10.709 1.00 0.00 C ATOM 334 C ASP A 21 -5.402 -23.768 -9.850 1.00 0.00 C ATOM 335 O ASP A 21 -4.452 -23.900 -9.105 1.00 0.00 O ATOM 336 CB ASP A 21 -6.465 -26.029 -9.804 1.00 0.00 C ATOM 337 CG ASP A 21 -6.955 -27.197 -10.660 1.00 0.00 C ATOM 338 OD1 ASP A 21 -7.074 -27.017 -11.861 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.203 -28.252 -10.101 1.00 0.00 O ATOM 0 H ASP A 21 -4.493 -26.425 -11.279 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.690 -24.580 -11.379 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.697 -26.370 -9.110 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.285 -25.636 -9.203 1.00 0.00 H new ATOM 344 N LEU A 22 -6.030 -22.629 -9.949 1.00 0.00 N ATOM 345 CA LEU A 22 -5.582 -21.462 -9.138 1.00 0.00 C ATOM 346 C LEU A 22 -6.328 -21.445 -7.805 1.00 0.00 C ATOM 347 O LEU A 22 -7.539 -21.344 -7.761 1.00 0.00 O ATOM 348 CB LEU A 22 -5.871 -20.166 -9.898 1.00 0.00 C ATOM 349 CG LEU A 22 -5.391 -18.976 -9.065 1.00 0.00 C ATOM 350 CD1 LEU A 22 -3.911 -19.159 -8.720 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.571 -17.685 -9.866 1.00 0.00 C ATOM 0 H LEU A 22 -6.832 -22.456 -10.555 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.511 -21.544 -8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.366 -20.176 -10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.939 -20.078 -10.098 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.975 -18.918 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.568 -18.311 -8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.782 -20.078 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.328 -19.218 -9.639 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.229 -16.838 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.988 -17.743 -10.785 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.625 -17.554 -10.112 1.00 0.00 H new ATOM 363 N LYS A 23 -5.617 -21.537 -6.717 1.00 0.00 N ATOM 364 CA LYS A 23 -6.287 -21.519 -5.386 1.00 0.00 C ATOM 365 C LYS A 23 -5.548 -20.544 -4.469 1.00 0.00 C ATOM 366 O LYS A 23 -4.457 -20.818 -4.010 1.00 0.00 O ATOM 367 CB LYS A 23 -6.259 -22.920 -4.771 1.00 0.00 C ATOM 368 CG LYS A 23 -6.314 -23.969 -5.884 1.00 0.00 C ATOM 369 CD LYS A 23 -6.257 -25.368 -5.268 1.00 0.00 C ATOM 370 CE LYS A 23 -7.588 -26.083 -5.504 1.00 0.00 C ATOM 371 NZ LYS A 23 -7.446 -27.035 -6.642 1.00 0.00 N ATOM 0 H LYS A 23 -4.601 -21.624 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.324 -21.203 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.353 -23.050 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.104 -23.048 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.230 -23.852 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.481 -23.829 -6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.441 -25.939 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.054 -25.299 -4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.890 -26.618 -4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.370 -25.356 -5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.304 -27.005 -7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.623 -26.767 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.311 -27.998 -6.274 1.00 0.00 H new ATOM 385 N PRO A 24 -6.160 -19.380 -4.205 1.00 0.00 N ATOM 386 CA PRO A 24 -5.567 -18.343 -3.349 1.00 0.00 C ATOM 387 C PRO A 24 -5.416 -18.809 -1.902 1.00 0.00 C ATOM 388 O PRO A 24 -6.375 -19.161 -1.250 1.00 0.00 O ATOM 389 CB PRO A 24 -6.571 -17.192 -3.437 1.00 0.00 C ATOM 390 CG PRO A 24 -7.857 -17.849 -3.800 1.00 0.00 C ATOM 391 CD PRO A 24 -7.485 -18.985 -4.709 1.00 0.00 C ATOM 0 HA PRO A 24 -4.561 -18.073 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.650 -16.660 -2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.272 -16.461 -4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.377 -18.210 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.527 -17.150 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.202 -19.804 -4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.445 -18.673 -5.752 1.00 0.00 H new ATOM 399 N VAL A 25 -4.212 -18.820 -1.398 1.00 0.00 N ATOM 400 CA VAL A 25 -4.003 -19.266 0.008 1.00 0.00 C ATOM 401 C VAL A 25 -3.421 -18.116 0.831 1.00 0.00 C ATOM 402 O VAL A 25 -2.768 -17.234 0.311 1.00 0.00 O ATOM 403 CB VAL A 25 -3.020 -20.438 0.034 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.636 -21.643 -0.677 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.728 -20.032 -0.677 1.00 0.00 C ATOM 0 H VAL A 25 -3.367 -18.541 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.960 -19.575 0.429 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.801 -20.704 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.933 -22.476 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.557 -21.933 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.858 -21.381 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.026 -20.866 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.950 -19.766 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.286 -19.175 -0.168 1.00 0.00 H new ATOM 415 N CYS A 26 -3.641 -18.127 2.118 1.00 0.00 N ATOM 416 CA CYS A 26 -3.085 -17.043 2.973 1.00 0.00 C ATOM 417 C CYS A 26 -1.778 -17.531 3.598 1.00 0.00 C ATOM 418 O CYS A 26 -1.685 -18.645 4.065 1.00 0.00 O ATOM 419 CB CYS A 26 -4.076 -16.690 4.087 1.00 0.00 C ATOM 420 SG CYS A 26 -3.298 -15.524 5.232 1.00 0.00 S ATOM 0 H CYS A 26 -4.180 -18.838 2.612 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.906 -16.157 2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.979 -16.252 3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.380 -17.592 4.619 1.00 0.00 H new ATOM 425 N GLY A 27 -0.769 -16.709 3.608 1.00 0.00 N ATOM 426 CA GLY A 27 0.530 -17.129 4.204 1.00 0.00 C ATOM 427 C GLY A 27 0.519 -16.827 5.702 1.00 0.00 C ATOM 428 O GLY A 27 0.028 -15.803 6.135 1.00 0.00 O ATOM 0 H GLY A 27 -0.786 -15.762 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.693 -18.194 4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.352 -16.601 3.721 1.00 0.00 H new ATOM 432 N ASP A 28 1.055 -17.709 6.501 1.00 0.00 N ATOM 433 CA ASP A 28 1.071 -17.463 7.972 1.00 0.00 C ATOM 434 C ASP A 28 2.061 -16.343 8.293 1.00 0.00 C ATOM 435 O ASP A 28 2.168 -15.902 9.420 1.00 0.00 O ATOM 436 CB ASP A 28 1.488 -18.742 8.699 1.00 0.00 C ATOM 437 CG ASP A 28 1.416 -18.514 10.210 1.00 0.00 C ATOM 438 OD1 ASP A 28 0.855 -17.508 10.612 1.00 0.00 O ATOM 439 OD2 ASP A 28 1.923 -19.350 10.940 1.00 0.00 O ATOM 0 H ASP A 28 1.481 -18.586 6.201 1.00 0.00 H new ATOM 0 HA ASP A 28 0.075 -17.169 8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.834 -19.566 8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.501 -19.024 8.410 1.00 0.00 H new ATOM 444 N ASP A 29 2.783 -15.874 7.313 1.00 0.00 N ATOM 445 CA ASP A 29 3.759 -14.777 7.567 1.00 0.00 C ATOM 446 C ASP A 29 3.087 -13.428 7.298 1.00 0.00 C ATOM 447 O ASP A 29 3.718 -12.391 7.335 1.00 0.00 O ATOM 448 CB ASP A 29 4.964 -14.943 6.640 1.00 0.00 C ATOM 449 CG ASP A 29 4.502 -14.858 5.184 1.00 0.00 C ATOM 450 OD1 ASP A 29 3.338 -14.563 4.969 1.00 0.00 O ATOM 451 OD2 ASP A 29 5.320 -15.089 4.309 1.00 0.00 O ATOM 0 H ASP A 29 2.740 -16.202 6.348 1.00 0.00 H new ATOM 0 HA ASP A 29 4.092 -14.817 8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.703 -14.168 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.448 -15.902 6.824 1.00 0.00 H new ATOM 456 N GLY A 30 1.810 -13.435 7.025 1.00 0.00 N ATOM 457 CA GLY A 30 1.099 -12.154 6.751 1.00 0.00 C ATOM 458 C GLY A 30 1.090 -11.893 5.243 1.00 0.00 C ATOM 459 O GLY A 30 0.812 -10.800 4.794 1.00 0.00 O ATOM 0 H GLY A 30 1.229 -14.272 6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.078 -12.203 7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.592 -11.333 7.271 1.00 0.00 H new ATOM 463 N GLN A 31 1.392 -12.891 4.459 1.00 0.00 N ATOM 464 CA GLN A 31 1.400 -12.702 2.982 1.00 0.00 C ATOM 465 C GLN A 31 0.321 -13.582 2.347 1.00 0.00 C ATOM 466 O GLN A 31 -0.337 -14.352 3.016 1.00 0.00 O ATOM 467 CB GLN A 31 2.770 -13.097 2.425 1.00 0.00 C ATOM 468 CG GLN A 31 3.810 -12.053 2.836 1.00 0.00 C ATOM 469 CD GLN A 31 5.209 -12.564 2.486 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.362 -13.665 1.996 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.245 -11.805 2.720 1.00 0.00 N ATOM 0 H GLN A 31 1.634 -13.829 4.778 1.00 0.00 H new ATOM 0 HA GLN A 31 1.199 -11.656 2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.057 -14.079 2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.725 -13.172 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.617 -11.110 2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.740 -11.855 3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.117 -10.880 3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.182 -12.137 2.491 1.00 0.00 H new ATOM 480 N THR A 32 0.138 -13.473 1.061 1.00 0.00 N ATOM 481 CA THR A 32 -0.894 -14.302 0.378 1.00 0.00 C ATOM 482 C THR A 32 -0.334 -14.802 -0.953 1.00 0.00 C ATOM 483 O THR A 32 0.280 -14.062 -1.696 1.00 0.00 O ATOM 484 CB THR A 32 -2.143 -13.458 0.120 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.562 -12.852 1.336 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.260 -14.354 -0.418 1.00 0.00 C ATOM 0 H THR A 32 0.660 -12.844 0.452 1.00 0.00 H new ATOM 0 HA THR A 32 -1.158 -15.151 1.009 1.00 0.00 H new ATOM 0 HB THR A 32 -1.916 -12.683 -0.612 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.362 -12.309 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.151 -13.754 -0.602 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.937 -14.819 -1.349 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.489 -15.129 0.314 1.00 0.00 H new ATOM 494 N TYR A 33 -0.535 -16.052 -1.257 1.00 0.00 N ATOM 495 CA TYR A 33 -0.011 -16.597 -2.539 1.00 0.00 C ATOM 496 C TYR A 33 -1.182 -17.018 -3.425 1.00 0.00 C ATOM 497 O TYR A 33 -2.086 -17.703 -2.992 1.00 0.00 O ATOM 498 CB TYR A 33 0.881 -17.802 -2.244 1.00 0.00 C ATOM 499 CG TYR A 33 1.912 -17.410 -1.212 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.545 -17.299 0.134 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.231 -17.154 -1.602 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.499 -16.931 1.090 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.185 -16.785 -0.644 1.00 0.00 C ATOM 504 CZ TYR A 33 3.819 -16.674 0.701 1.00 0.00 C ATOM 505 OH TYR A 33 4.758 -16.310 1.645 1.00 0.00 O ATOM 0 H TYR A 33 -1.039 -16.720 -0.674 1.00 0.00 H new ATOM 0 HA TYR A 33 0.572 -15.836 -3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.280 -18.635 -1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.372 -18.140 -3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.527 -17.497 0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.514 -17.241 -2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.216 -16.845 2.129 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.203 -16.586 -0.945 1.00 0.00 H new ATOM 0 HH TYR A 33 4.894 -15.340 1.614 1.00 0.00 H new ATOM 515 N ASN A 34 -1.178 -16.606 -4.663 1.00 0.00 N ATOM 516 CA ASN A 34 -2.298 -16.976 -5.569 1.00 0.00 C ATOM 517 C ASN A 34 -2.455 -18.497 -5.597 1.00 0.00 C ATOM 518 O ASN A 34 -3.346 -19.048 -4.988 1.00 0.00 O ATOM 519 CB ASN A 34 -2.017 -16.452 -6.981 1.00 0.00 C ATOM 520 CG ASN A 34 -1.425 -15.046 -6.893 1.00 0.00 C ATOM 521 OD1 ASN A 34 -1.882 -14.228 -6.122 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.417 -14.729 -7.660 1.00 0.00 N ATOM 0 H ASN A 34 -0.449 -16.031 -5.084 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.222 -16.529 -5.202 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.325 -17.118 -7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.938 -16.435 -7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.013 -13.794 -7.611 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.033 -15.417 -8.308 1.00 0.00 H new ATOM 529 N ASN A 35 -1.603 -19.181 -6.303 1.00 0.00 N ATOM 530 CA ASN A 35 -1.715 -20.666 -6.369 1.00 0.00 C ATOM 531 C ASN A 35 -1.064 -21.291 -5.132 1.00 0.00 C ATOM 532 O ASN A 35 -0.115 -20.761 -4.588 1.00 0.00 O ATOM 533 CB ASN A 35 -1.024 -21.157 -7.645 1.00 0.00 C ATOM 534 CG ASN A 35 -0.810 -22.668 -7.588 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.099 -23.162 -6.738 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.398 -23.428 -8.472 1.00 0.00 N ATOM 0 H ASN A 35 -0.833 -18.779 -6.838 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.764 -20.961 -6.390 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.629 -20.902 -8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.065 -20.652 -7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.260 -24.438 -8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.995 -23.011 -9.186 1.00 0.00 H new ATOM 543 N PRO A 36 -1.587 -22.444 -4.680 1.00 0.00 N ATOM 544 CA PRO A 36 -1.061 -23.153 -3.502 1.00 0.00 C ATOM 545 C PRO A 36 0.384 -23.615 -3.711 1.00 0.00 C ATOM 546 O PRO A 36 1.258 -23.308 -2.925 1.00 0.00 O ATOM 547 CB PRO A 36 -1.998 -24.355 -3.364 1.00 0.00 C ATOM 548 CG PRO A 36 -2.547 -24.546 -4.736 1.00 0.00 C ATOM 549 CD PRO A 36 -2.730 -23.159 -5.277 1.00 0.00 C ATOM 0 HA PRO A 36 -1.034 -22.519 -2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.463 -25.241 -3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.790 -24.162 -2.641 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.864 -25.125 -5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.492 -25.088 -4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.700 -23.139 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.684 -22.726 -4.976 1.00 0.00 H new ATOM 557 N CYS A 37 0.650 -24.335 -4.767 1.00 0.00 N ATOM 558 CA CYS A 37 2.045 -24.786 -5.012 1.00 0.00 C ATOM 559 C CYS A 37 2.925 -23.550 -5.202 1.00 0.00 C ATOM 560 O CYS A 37 4.110 -23.567 -4.930 1.00 0.00 O ATOM 561 CB CYS A 37 2.089 -25.654 -6.273 1.00 0.00 C ATOM 562 SG CYS A 37 3.806 -25.881 -6.803 1.00 0.00 S ATOM 0 H CYS A 37 -0.034 -24.628 -5.465 1.00 0.00 H new ATOM 0 HA CYS A 37 2.405 -25.374 -4.168 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.629 -26.622 -6.075 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.512 -25.184 -7.069 1.00 0.00 H new ATOM 567 N MET A 38 2.345 -22.472 -5.656 1.00 0.00 N ATOM 568 CA MET A 38 3.133 -21.226 -5.853 1.00 0.00 C ATOM 569 C MET A 38 3.627 -20.736 -4.492 1.00 0.00 C ATOM 570 O MET A 38 4.549 -19.951 -4.397 1.00 0.00 O ATOM 571 CB MET A 38 2.247 -20.157 -6.497 1.00 0.00 C ATOM 572 CG MET A 38 2.392 -20.231 -8.018 1.00 0.00 C ATOM 573 SD MET A 38 1.404 -18.923 -8.786 1.00 0.00 S ATOM 574 CE MET A 38 1.187 -19.723 -10.394 1.00 0.00 C ATOM 0 H MET A 38 1.357 -22.402 -5.899 1.00 0.00 H new ATOM 0 HA MET A 38 3.984 -21.422 -6.505 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.206 -20.310 -6.211 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.533 -19.168 -6.140 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.439 -20.122 -8.299 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.065 -21.207 -8.378 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.594 -19.079 -11.043 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.162 -19.897 -10.848 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.674 -20.675 -10.260 1.00 0.00 H new ATOM 584 N LEU A 39 3.022 -21.206 -3.436 1.00 0.00 N ATOM 585 CA LEU A 39 3.456 -20.784 -2.077 1.00 0.00 C ATOM 586 C LEU A 39 4.857 -21.331 -1.828 1.00 0.00 C ATOM 587 O LEU A 39 5.781 -20.596 -1.534 1.00 0.00 O ATOM 588 CB LEU A 39 2.484 -21.348 -1.038 1.00 0.00 C ATOM 589 CG LEU A 39 3.059 -21.149 0.363 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.018 -19.663 0.722 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.229 -21.940 1.377 1.00 0.00 C ATOM 0 H LEU A 39 2.244 -21.866 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 39 3.464 -19.697 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.518 -20.849 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.312 -22.408 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 39 4.090 -21.503 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.428 -19.519 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.610 -19.098 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.987 -19.311 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.641 -21.796 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.197 -21.588 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.256 -22.999 1.122 1.00 0.00 H new ATOM 603 N CYS A 40 5.028 -22.614 -1.970 1.00 0.00 N ATOM 604 CA CYS A 40 6.377 -23.207 -1.773 1.00 0.00 C ATOM 605 C CYS A 40 7.317 -22.589 -2.805 1.00 0.00 C ATOM 606 O CYS A 40 8.517 -22.532 -2.621 1.00 0.00 O ATOM 607 CB CYS A 40 6.298 -24.716 -1.978 1.00 0.00 C ATOM 608 SG CYS A 40 7.810 -25.478 -1.360 1.00 0.00 S ATOM 0 H CYS A 40 4.292 -23.277 -2.214 1.00 0.00 H new ATOM 0 HA CYS A 40 6.744 -23.008 -0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.432 -25.121 -1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.167 -24.945 -3.036 1.00 0.00 H new ATOM 613 N HIS A 41 6.765 -22.110 -3.888 1.00 0.00 N ATOM 614 CA HIS A 41 7.598 -21.472 -4.943 1.00 0.00 C ATOM 615 C HIS A 41 8.127 -20.141 -4.417 1.00 0.00 C ATOM 616 O HIS A 41 9.320 -19.937 -4.301 1.00 0.00 O ATOM 617 CB HIS A 41 6.734 -21.215 -6.174 1.00 0.00 C ATOM 618 CG HIS A 41 7.608 -20.825 -7.334 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.480 -21.717 -7.937 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.754 -19.640 -8.015 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.103 -21.064 -8.935 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.698 -19.794 -9.026 1.00 0.00 N ATOM 0 H HIS A 41 5.765 -22.135 -4.086 1.00 0.00 H new ATOM 0 HA HIS A 41 8.430 -22.125 -5.207 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.162 -22.109 -6.422 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.014 -20.423 -5.966 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.624 -22.692 -7.672 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.218 -18.728 -7.798 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.841 -21.512 -9.584 1.00 0.00 H new ATOM 630 N GLU A 42 7.248 -19.236 -4.086 1.00 0.00 N ATOM 631 CA GLU A 42 7.705 -17.926 -3.556 1.00 0.00 C ATOM 632 C GLU A 42 8.576 -18.184 -2.329 1.00 0.00 C ATOM 633 O GLU A 42 9.385 -17.364 -1.937 1.00 0.00 O ATOM 634 CB GLU A 42 6.491 -17.082 -3.164 1.00 0.00 C ATOM 635 CG GLU A 42 6.953 -15.682 -2.758 1.00 0.00 C ATOM 636 CD GLU A 42 5.732 -14.788 -2.534 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.641 -15.216 -2.872 1.00 0.00 O ATOM 638 OE2 GLU A 42 5.909 -13.692 -2.029 1.00 0.00 O ATOM 0 H GLU A 42 6.237 -19.348 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 42 8.276 -17.389 -4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.794 -17.018 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.958 -17.554 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.551 -15.734 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.590 -15.258 -3.534 1.00 0.00 H new ATOM 645 N ASN A 43 8.427 -19.336 -1.731 1.00 0.00 N ATOM 646 CA ASN A 43 9.255 -19.667 -0.540 1.00 0.00 C ATOM 647 C ASN A 43 10.643 -20.088 -1.018 1.00 0.00 C ATOM 648 O ASN A 43 11.644 -19.794 -0.397 1.00 0.00 O ATOM 649 CB ASN A 43 8.610 -20.815 0.238 1.00 0.00 C ATOM 650 CG ASN A 43 7.254 -20.366 0.783 1.00 0.00 C ATOM 651 OD1 ASN A 43 6.997 -19.185 0.909 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.369 -21.265 1.112 1.00 0.00 N ATOM 0 H ASN A 43 7.768 -20.060 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 43 9.330 -18.798 0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.484 -21.682 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.259 -21.122 1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.460 -20.977 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.585 -22.256 1.006 1.00 0.00 H new ATOM 659 N LEU A 44 10.707 -20.767 -2.131 1.00 0.00 N ATOM 660 CA LEU A 44 12.027 -21.198 -2.666 1.00 0.00 C ATOM 661 C LEU A 44 12.890 -19.957 -2.895 1.00 0.00 C ATOM 662 O LEU A 44 14.093 -19.982 -2.727 1.00 0.00 O ATOM 663 CB LEU A 44 11.819 -21.935 -3.991 1.00 0.00 C ATOM 664 CG LEU A 44 13.153 -22.505 -4.475 1.00 0.00 C ATOM 665 CD1 LEU A 44 13.651 -23.552 -3.479 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.961 -23.156 -5.847 1.00 0.00 C ATOM 0 H LEU A 44 9.901 -21.041 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 44 12.521 -21.865 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.094 -22.739 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.411 -21.254 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 44 13.885 -21.701 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.602 -23.959 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.787 -23.089 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.920 -24.356 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.911 -23.563 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.229 -23.960 -5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.606 -22.410 -6.557 1.00 0.00 H new ATOM 678 N ILE A 45 12.277 -18.866 -3.270 1.00 0.00 N ATOM 679 CA ILE A 45 13.052 -17.615 -3.500 1.00 0.00 C ATOM 680 C ILE A 45 13.390 -16.986 -2.149 1.00 0.00 C ATOM 681 O ILE A 45 14.524 -16.651 -1.874 1.00 0.00 O ATOM 682 CB ILE A 45 12.209 -16.636 -4.320 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.483 -17.396 -5.432 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.120 -15.573 -4.940 1.00 0.00 C ATOM 685 CD1 ILE A 45 10.828 -16.398 -6.388 1.00 0.00 C ATOM 0 H ILE A 45 11.272 -18.788 -3.427 1.00 0.00 H new ATOM 0 HA ILE A 45 13.969 -17.843 -4.042 1.00 0.00 H new ATOM 0 HB ILE A 45 11.478 -16.154 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.186 -18.028 -5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.728 -18.055 -5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.520 -14.875 -5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.638 -15.031 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.851 -16.054 -5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.311 -16.939 -7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.112 -15.785 -5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.594 -15.758 -6.826 1.00 0.00 H new ATOM 697 N ARG A 46 12.410 -16.829 -1.300 1.00 0.00 N ATOM 698 CA ARG A 46 12.674 -16.228 0.038 1.00 0.00 C ATOM 699 C ARG A 46 13.503 -17.204 0.875 1.00 0.00 C ATOM 700 O ARG A 46 14.197 -16.815 1.793 1.00 0.00 O ATOM 701 CB ARG A 46 11.347 -15.952 0.748 1.00 0.00 C ATOM 702 CG ARG A 46 10.535 -14.935 -0.056 1.00 0.00 C ATOM 703 CD ARG A 46 9.229 -14.632 0.682 1.00 0.00 C ATOM 704 NE ARG A 46 8.367 -13.761 -0.165 1.00 0.00 N ATOM 705 CZ ARG A 46 8.858 -12.674 -0.694 1.00 0.00 C ATOM 706 NH1 ARG A 46 9.901 -12.101 -0.156 1.00 0.00 N ATOM 707 NH2 ARG A 46 8.306 -12.159 -1.758 1.00 0.00 N ATOM 0 H ARG A 46 11.440 -17.091 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 46 13.220 -15.293 -0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.782 -16.878 0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.533 -15.571 1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.110 -14.019 -0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.321 -15.328 -1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.708 -15.560 0.915 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.441 -14.139 1.630 1.00 0.00 H new ATOM 0 HE ARG A 46 7.393 -14.014 -0.331 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.331 -12.503 0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.286 -11.251 -0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.490 -12.606 -2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.690 -11.309 -2.171 1.00 0.00 H new ATOM 721 N GLN A 47 13.432 -18.470 0.567 1.00 0.00 N ATOM 722 CA GLN A 47 14.211 -19.476 1.343 1.00 0.00 C ATOM 723 C GLN A 47 13.711 -19.504 2.788 1.00 0.00 C ATOM 724 O GLN A 47 14.484 -19.582 3.723 1.00 0.00 O ATOM 725 CB GLN A 47 15.695 -19.107 1.316 1.00 0.00 C ATOM 726 CG GLN A 47 16.194 -19.128 -0.131 1.00 0.00 C ATOM 727 CD GLN A 47 17.692 -18.819 -0.163 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.249 -18.350 0.811 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.372 -19.063 -1.249 1.00 0.00 N ATOM 0 H GLN A 47 12.866 -18.852 -0.191 1.00 0.00 H new ATOM 0 HA GLN A 47 14.079 -20.462 0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.844 -18.118 1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.268 -19.810 1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.004 -20.104 -0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.649 -18.395 -0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.905 -19.456 -2.066 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.371 -18.860 -1.281 1.00 0.00 H new ATOM 738 N THR A 48 12.420 -19.445 2.978 1.00 0.00 N ATOM 739 CA THR A 48 11.864 -19.471 4.361 1.00 0.00 C ATOM 740 C THR A 48 10.852 -20.613 4.477 1.00 0.00 C ATOM 741 O THR A 48 10.407 -21.162 3.487 1.00 0.00 O ATOM 742 CB THR A 48 11.171 -18.139 4.659 1.00 0.00 C ATOM 743 OG1 THR A 48 9.901 -18.117 4.023 1.00 0.00 O ATOM 744 CG2 THR A 48 12.028 -16.986 4.134 1.00 0.00 C ATOM 0 H THR A 48 11.726 -19.380 2.234 1.00 0.00 H new ATOM 0 HA THR A 48 12.671 -19.625 5.077 1.00 0.00 H new ATOM 0 HB THR A 48 11.041 -18.029 5.736 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.454 -17.266 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.533 -16.038 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.002 -17.005 4.623 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.161 -17.092 3.057 1.00 0.00 H new ATOM 752 N ASN A 49 10.482 -20.975 5.675 1.00 0.00 N ATOM 753 CA ASN A 49 9.499 -22.082 5.849 1.00 0.00 C ATOM 754 C ASN A 49 8.104 -21.493 6.071 1.00 0.00 C ATOM 755 O ASN A 49 7.505 -21.664 7.114 1.00 0.00 O ATOM 756 CB ASN A 49 9.895 -22.932 7.058 1.00 0.00 C ATOM 757 CG ASN A 49 11.261 -23.572 6.804 1.00 0.00 C ATOM 758 OD1 ASN A 49 11.737 -23.591 5.687 1.00 0.00 O ATOM 759 ND2 ASN A 49 11.916 -24.101 7.802 1.00 0.00 N ATOM 0 H ASN A 49 10.818 -20.552 6.540 1.00 0.00 H new ATOM 0 HA ASN A 49 9.492 -22.706 4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.932 -22.313 7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.146 -23.704 7.234 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.828 -24.530 7.643 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.516 -24.085 8.740 1.00 0.00 H new ATOM 766 N THR A 50 7.586 -20.797 5.097 1.00 0.00 N ATOM 767 CA THR A 50 6.232 -20.193 5.249 1.00 0.00 C ATOM 768 C THR A 50 5.159 -21.265 5.044 1.00 0.00 C ATOM 769 O THR A 50 5.235 -22.067 4.134 1.00 0.00 O ATOM 770 CB THR A 50 6.049 -19.089 4.204 1.00 0.00 C ATOM 771 OG1 THR A 50 7.104 -18.145 4.326 1.00 0.00 O ATOM 772 CG2 THR A 50 4.705 -18.390 4.425 1.00 0.00 C ATOM 0 H THR A 50 8.042 -20.620 4.202 1.00 0.00 H new ATOM 0 HA THR A 50 6.136 -19.774 6.250 1.00 0.00 H new ATOM 0 HB THR A 50 6.066 -19.526 3.206 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.947 -18.559 4.046 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.577 -17.605 3.680 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.897 -19.116 4.330 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.683 -17.951 5.423 1.00 0.00 H new ATOM 780 N HIS A 51 4.156 -21.278 5.879 1.00 0.00 N ATOM 781 CA HIS A 51 3.074 -22.290 5.730 1.00 0.00 C ATOM 782 C HIS A 51 1.768 -21.580 5.369 1.00 0.00 C ATOM 783 O HIS A 51 1.683 -20.368 5.397 1.00 0.00 O ATOM 784 CB HIS A 51 2.892 -23.044 7.048 1.00 0.00 C ATOM 785 CG HIS A 51 4.238 -23.427 7.596 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.025 -24.401 7.005 1.00 0.00 N ATOM 787 CD2 HIS A 51 4.949 -22.976 8.681 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.154 -24.505 7.731 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.159 -23.658 8.764 1.00 0.00 N ATOM 0 H HIS A 51 4.040 -20.630 6.658 1.00 0.00 H new ATOM 0 HA HIS A 51 3.341 -22.995 4.943 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.359 -22.420 7.766 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.285 -23.935 6.889 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.619 -22.209 9.366 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.958 -25.190 7.506 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.892 -23.537 9.463 1.00 0.00 H new ATOM 797 N ILE A 52 0.750 -22.321 5.032 1.00 0.00 N ATOM 798 CA ILE A 52 -0.545 -21.681 4.671 1.00 0.00 C ATOM 799 C ILE A 52 -1.296 -21.295 5.945 1.00 0.00 C ATOM 800 O ILE A 52 -1.515 -22.105 6.824 1.00 0.00 O ATOM 801 CB ILE A 52 -1.393 -22.656 3.857 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.623 -23.091 2.611 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.691 -21.965 3.440 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.516 -23.979 1.745 1.00 0.00 C ATOM 0 H ILE A 52 0.758 -23.340 4.991 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.351 -20.788 4.077 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.622 -23.534 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.303 -22.217 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.278 -23.633 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.301 -22.656 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.241 -21.656 4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.459 -21.089 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.967 -24.290 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.814 -24.860 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.404 -23.422 1.447 1.00 0.00 H new ATOM 816 N ARG A 53 -1.694 -20.062 6.043 1.00 0.00 N ATOM 817 CA ARG A 53 -2.436 -19.599 7.246 1.00 0.00 C ATOM 818 C ARG A 53 -3.899 -20.020 7.130 1.00 0.00 C ATOM 819 O ARG A 53 -4.473 -20.588 8.038 1.00 0.00 O ATOM 820 CB ARG A 53 -2.359 -18.074 7.322 1.00 0.00 C ATOM 821 CG ARG A 53 -2.968 -17.597 8.638 1.00 0.00 C ATOM 822 CD ARG A 53 -2.663 -16.111 8.835 1.00 0.00 C ATOM 823 NE ARG A 53 -3.303 -15.638 10.094 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.063 -14.435 10.538 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.004 -13.531 10.510 1.00 0.00 N ATOM 826 NH2 ARG A 53 -1.883 -14.137 11.008 1.00 0.00 N ATOM 0 H ARG A 53 -1.536 -19.346 5.334 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.997 -20.039 8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.321 -17.748 7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.892 -17.630 6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.046 -17.760 8.632 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.563 -18.175 9.469 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.586 -15.952 8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.035 -15.536 7.987 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.930 -16.256 10.610 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.926 -13.766 10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.818 -12.590 10.857 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.149 -14.844 11.028 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.695 -13.197 11.355 1.00 0.00 H new ATOM 840 N SER A 54 -4.503 -19.737 6.014 1.00 0.00 N ATOM 841 CA SER A 54 -5.929 -20.107 5.815 1.00 0.00 C ATOM 842 C SER A 54 -6.214 -20.210 4.316 1.00 0.00 C ATOM 843 O SER A 54 -5.657 -19.482 3.519 1.00 0.00 O ATOM 844 CB SER A 54 -6.825 -19.032 6.431 1.00 0.00 C ATOM 845 OG SER A 54 -6.762 -19.116 7.847 1.00 0.00 O ATOM 0 H SER A 54 -4.067 -19.261 5.224 1.00 0.00 H new ATOM 0 HA SER A 54 -6.131 -21.064 6.295 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.505 -18.044 6.100 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.853 -19.164 6.094 1.00 0.00 H new ATOM 0 HG SER A 54 -6.018 -19.698 8.107 1.00 0.00 H new ATOM 851 N THR A 55 -7.074 -21.108 3.923 1.00 0.00 N ATOM 852 CA THR A 55 -7.385 -21.249 2.474 1.00 0.00 C ATOM 853 C THR A 55 -7.999 -19.949 1.954 1.00 0.00 C ATOM 854 O THR A 55 -8.631 -19.212 2.686 1.00 0.00 O ATOM 855 CB THR A 55 -8.370 -22.403 2.271 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.665 -21.996 2.692 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.919 -23.611 3.092 1.00 0.00 C ATOM 0 H THR A 55 -7.573 -21.748 4.541 1.00 0.00 H new ATOM 0 HA THR A 55 -6.467 -21.459 1.925 1.00 0.00 H new ATOM 0 HB THR A 55 -8.400 -22.676 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.298 -22.733 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.621 -24.432 2.947 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.926 -23.921 2.768 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.888 -23.342 4.148 1.00 0.00 H new ATOM 865 N GLY A 56 -7.814 -19.657 0.696 1.00 0.00 N ATOM 866 CA GLY A 56 -8.380 -18.402 0.128 1.00 0.00 C ATOM 867 C GLY A 56 -7.457 -17.234 0.466 1.00 0.00 C ATOM 868 O GLY A 56 -6.614 -17.325 1.335 1.00 0.00 O ATOM 0 H GLY A 56 -7.294 -20.235 0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.488 -18.495 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.376 -18.223 0.533 1.00 0.00 H new ATOM 872 N LYS A 57 -7.612 -16.137 -0.215 1.00 0.00 N ATOM 873 CA LYS A 57 -6.748 -14.955 0.064 1.00 0.00 C ATOM 874 C LYS A 57 -7.012 -14.462 1.487 1.00 0.00 C ATOM 875 O LYS A 57 -8.096 -14.609 2.013 1.00 0.00 O ATOM 876 CB LYS A 57 -7.065 -13.838 -0.932 1.00 0.00 C ATOM 877 CG LYS A 57 -6.264 -12.585 -0.567 1.00 0.00 C ATOM 878 CD LYS A 57 -6.555 -11.480 -1.585 1.00 0.00 C ATOM 879 CE LYS A 57 -5.508 -10.372 -1.450 1.00 0.00 C ATOM 880 NZ LYS A 57 -4.834 -10.165 -2.763 1.00 0.00 N ATOM 0 H LYS A 57 -8.301 -16.005 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.700 -15.238 -0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.818 -14.158 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.132 -13.617 -0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.529 -12.250 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.198 -12.812 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.539 -11.889 -2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.553 -11.074 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.982 -9.447 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.774 -10.641 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.122 -9.412 -2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.369 -11.048 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.540 -9.891 -3.476 1.00 0.00 H new ATOM 894 N CYS A 58 -6.029 -13.879 2.115 1.00 0.00 N ATOM 895 CA CYS A 58 -6.225 -13.380 3.503 1.00 0.00 C ATOM 896 C CYS A 58 -6.987 -12.054 3.467 1.00 0.00 C ATOM 897 O CYS A 58 -6.860 -11.279 2.540 1.00 0.00 O ATOM 898 CB CYS A 58 -4.865 -13.169 4.168 1.00 0.00 C ATOM 899 SG CYS A 58 -4.757 -14.195 5.656 1.00 0.00 S ATOM 0 H CYS A 58 -5.098 -13.727 1.726 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.797 -14.112 4.073 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.065 -13.429 3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.734 -12.118 4.427 1.00 0.00 H new ATOM 904 N GLU A 59 -7.776 -11.789 4.470 1.00 0.00 N ATOM 905 CA GLU A 59 -8.545 -10.513 4.496 1.00 0.00 C ATOM 906 C GLU A 59 -9.405 -10.410 3.235 1.00 0.00 C ATOM 907 O GLU A 59 -8.893 -9.950 2.228 1.00 0.00 O ATOM 908 CB GLU A 59 -7.572 -9.334 4.547 1.00 0.00 C ATOM 909 CG GLU A 59 -8.355 -8.030 4.708 1.00 0.00 C ATOM 910 CD GLU A 59 -7.389 -6.844 4.652 1.00 0.00 C ATOM 911 OE1 GLU A 59 -6.204 -7.078 4.481 1.00 0.00 O ATOM 912 OE2 GLU A 59 -7.850 -5.722 4.782 1.00 0.00 O ATOM 913 OXT GLU A 59 -10.562 -10.793 3.297 1.00 0.00 O ATOM 0 H GLU A 59 -7.922 -12.400 5.273 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.188 -10.493 5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.878 -9.458 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.976 -9.302 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.102 -7.942 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.892 -8.031 5.656 1.00 0.00 H new TER 920 GLU A 59