USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 550 hydrogens (5 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 37 TYR OH : rot 180:sc= -0.379 USER MOD Set 1.2: A 55 MET CE :methyl -123:sc=-0.000194 (180deg=-0.208) USER MOD Single : A 1 MET CE :methyl 134:sc= -0.553 (180deg=-1.65) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0.71 (180deg=0.678) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -4:sc= 0.891 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 144:sc= 0.269 (180deg=-0.416) USER MOD Single : A 29 ASN : amide:sc= -0.293 K(o=-0.29,f=-1.6) USER MOD Single : A 32 CYS SG : rot -170:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.01 K(o=-1,f=-3!) USER MOD Single : A 52 TYR OH : rot -59:sc= 0.996 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.162 3.138 3.434 1.00 0.00 N ATOM 2 CA MET A 1 8.062 1.697 3.453 1.00 0.00 C ATOM 3 C MET A 1 7.541 1.327 2.056 1.00 0.00 C ATOM 4 O MET A 1 6.436 1.702 1.671 1.00 0.00 O ATOM 5 CB MET A 1 7.107 1.300 4.589 1.00 0.00 C ATOM 6 CG MET A 1 6.830 -0.203 4.688 1.00 0.00 C ATOM 7 SD MET A 1 6.081 -0.574 6.287 1.00 0.00 S ATOM 8 CE MET A 1 4.572 -1.420 5.779 1.00 0.00 C ATOM 0 H1 MET A 1 8.512 3.474 4.354 1.00 0.00 H new ATOM 0 H2 MET A 1 8.822 3.430 2.685 1.00 0.00 H new ATOM 0 H3 MET A 1 7.225 3.549 3.249 1.00 0.00 H new ATOM 0 HA MET A 1 8.999 1.174 3.645 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.526 1.643 5.535 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.161 1.823 4.451 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.165 -0.515 3.882 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.758 -0.763 4.571 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.441 -2.321 6.378 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.718 -0.759 5.925 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.644 -1.692 4.726 1.00 0.00 H new ATOM 18 N GLU A 2 8.424 0.609 1.317 1.00 0.00 N ATOM 19 CA GLU A 2 8.080 0.206 -0.044 1.00 0.00 C ATOM 20 C GLU A 2 6.989 -0.879 0.015 1.00 0.00 C ATOM 21 O GLU A 2 7.170 -2.003 0.468 1.00 0.00 O ATOM 22 CB GLU A 2 9.319 -0.181 -0.877 1.00 0.00 C ATOM 23 CG GLU A 2 10.222 -1.239 -0.227 1.00 0.00 C ATOM 24 CD GLU A 2 11.367 -1.701 -1.142 1.00 0.00 C ATOM 25 OE1 GLU A 2 12.378 -1.003 -1.221 1.00 0.00 O ATOM 26 OE2 GLU A 2 11.243 -2.766 -1.751 1.00 0.00 O ATOM 0 H GLU A 2 9.345 0.312 1.638 1.00 0.00 H new ATOM 0 HA GLU A 2 7.666 1.058 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.987 -0.552 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.909 0.716 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.642 -0.833 0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.617 -2.102 0.052 1.00 0.00 H new ATOM 33 N ALA A 3 5.834 -0.404 -0.473 1.00 0.00 N ATOM 34 CA ALA A 3 4.596 -1.153 -0.554 1.00 0.00 C ATOM 35 C ALA A 3 4.468 -1.630 -1.998 1.00 0.00 C ATOM 36 O ALA A 3 4.839 -0.936 -2.934 1.00 0.00 O ATOM 37 CB ALA A 3 3.511 -0.169 -0.126 1.00 0.00 C ATOM 0 H ALA A 3 5.745 0.547 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 3 4.534 -2.037 0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.539 -0.661 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.709 0.172 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.509 0.686 -0.802 1.00 0.00 H new ATOM 43 N ILE A 4 3.955 -2.869 -2.104 1.00 0.00 N ATOM 44 CA ILE A 4 3.840 -3.504 -3.408 1.00 0.00 C ATOM 45 C ILE A 4 2.485 -4.196 -3.514 1.00 0.00 C ATOM 46 O ILE A 4 2.231 -5.206 -2.871 1.00 0.00 O ATOM 47 CB ILE A 4 4.970 -4.553 -3.536 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.373 -3.912 -3.425 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.856 -5.364 -4.843 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.518 -4.926 -3.370 1.00 0.00 C ATOM 0 H ILE A 4 3.624 -3.430 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 4 3.924 -2.762 -4.202 1.00 0.00 H new ATOM 0 HB ILE A 4 4.845 -5.239 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.528 -3.251 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.408 -3.291 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.668 -6.089 -4.893 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.900 -5.888 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.919 -4.689 -5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.468 -4.398 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.390 -5.572 -2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.512 -5.531 -4.277 1.00 0.00 H new ATOM 62 N ALA A 5 1.645 -3.591 -4.370 1.00 0.00 N ATOM 63 CA ALA A 5 0.337 -4.157 -4.631 1.00 0.00 C ATOM 64 C ALA A 5 0.546 -5.496 -5.367 1.00 0.00 C ATOM 65 O ALA A 5 1.138 -5.544 -6.434 1.00 0.00 O ATOM 66 CB ALA A 5 -0.417 -3.205 -5.561 1.00 0.00 C ATOM 0 H ALA A 5 1.853 -2.730 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.220 -4.305 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.406 -3.610 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.519 -2.232 -5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.136 -3.093 -6.494 1.00 0.00 H new ATOM 72 N LYS A 6 0.010 -6.560 -4.751 1.00 0.00 N ATOM 73 CA LYS A 6 0.119 -7.896 -5.321 1.00 0.00 C ATOM 74 C LYS A 6 -1.029 -8.150 -6.295 1.00 0.00 C ATOM 75 O LYS A 6 -0.861 -8.760 -7.341 1.00 0.00 O ATOM 76 CB LYS A 6 -0.016 -8.918 -4.196 1.00 0.00 C ATOM 77 CG LYS A 6 1.244 -8.960 -3.339 1.00 0.00 C ATOM 78 CD LYS A 6 1.506 -10.367 -2.819 1.00 0.00 C ATOM 79 CE LYS A 6 0.617 -10.729 -1.623 1.00 0.00 C ATOM 80 NZ LYS A 6 1.057 -11.954 -0.961 1.00 0.00 N ATOM 0 H LYS A 6 -0.497 -6.515 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 6 1.077 -7.981 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.875 -8.667 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.206 -9.905 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.098 -8.621 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.140 -8.272 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.338 -11.084 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.553 -10.454 -2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.623 -9.908 -0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.412 -10.850 -1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.363 -12.225 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.141 -12.717 -1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.981 -11.793 -0.512 1.00 0.00 H new ATOM 94 N TYR A 7 -2.200 -7.663 -5.848 1.00 0.00 N ATOM 95 CA TYR A 7 -3.435 -7.810 -6.600 1.00 0.00 C ATOM 96 C TYR A 7 -3.837 -6.472 -7.195 1.00 0.00 C ATOM 97 O TYR A 7 -3.304 -5.417 -6.882 1.00 0.00 O ATOM 98 CB TYR A 7 -4.545 -8.370 -5.703 1.00 0.00 C ATOM 99 CG TYR A 7 -4.206 -9.757 -5.240 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.464 -9.962 -4.084 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.626 -10.858 -5.971 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.131 -11.243 -3.673 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.332 -12.141 -5.558 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.567 -12.352 -4.405 1.00 0.00 C ATOM 105 OH TYR A 7 -3.221 -13.637 -3.996 1.00 0.00 O ATOM 0 H TYR A 7 -2.305 -7.164 -4.965 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.276 -8.517 -7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.686 -7.718 -4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.488 -8.384 -6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.143 -9.113 -3.499 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.192 -10.709 -6.878 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.533 -11.385 -2.785 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.693 -12.985 -6.126 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.606 -14.292 -4.615 1.00 0.00 H new ATOM 115 N ASP A 8 -4.818 -6.633 -8.097 1.00 0.00 N ATOM 116 CA ASP A 8 -5.429 -5.529 -8.810 1.00 0.00 C ATOM 117 C ASP A 8 -6.696 -5.188 -8.022 1.00 0.00 C ATOM 118 O ASP A 8 -7.504 -6.049 -7.697 1.00 0.00 O ATOM 119 CB ASP A 8 -5.692 -5.910 -10.277 1.00 0.00 C ATOM 120 CG ASP A 8 -6.623 -7.127 -10.439 1.00 0.00 C ATOM 121 OD1 ASP A 8 -6.262 -8.222 -10.002 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.701 -6.964 -11.007 1.00 0.00 O ATOM 0 H ASP A 8 -5.204 -7.544 -8.345 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.785 -4.652 -8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.131 -5.056 -10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.741 -6.123 -10.765 1.00 0.00 H new ATOM 127 N PHE A 9 -6.784 -3.883 -7.711 1.00 0.00 N ATOM 128 CA PHE A 9 -7.897 -3.371 -6.942 1.00 0.00 C ATOM 129 C PHE A 9 -8.344 -2.043 -7.530 1.00 0.00 C ATOM 130 O PHE A 9 -7.582 -1.265 -8.090 1.00 0.00 O ATOM 131 CB PHE A 9 -7.432 -3.149 -5.500 1.00 0.00 C ATOM 132 CG PHE A 9 -8.557 -2.930 -4.528 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.556 -3.886 -4.396 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.610 -1.779 -3.744 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.591 -3.695 -3.498 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.642 -1.590 -2.834 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.634 -2.556 -2.708 1.00 0.00 C ATOM 0 H PHE A 9 -6.097 -3.181 -7.984 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.726 -4.078 -6.967 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.849 -4.012 -5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.766 -2.287 -5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.525 -4.783 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.841 -1.027 -3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.370 -4.438 -3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.674 -0.697 -2.227 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.436 -2.420 -1.997 1.00 0.00 H new ATOM 147 N LYS A 10 -9.646 -1.853 -7.324 1.00 0.00 N ATOM 148 CA LYS A 10 -10.326 -0.664 -7.766 1.00 0.00 C ATOM 149 C LYS A 10 -11.114 -0.102 -6.574 1.00 0.00 C ATOM 150 O LYS A 10 -11.989 -0.778 -6.048 1.00 0.00 O ATOM 151 CB LYS A 10 -11.262 -1.082 -8.899 1.00 0.00 C ATOM 152 CG LYS A 10 -12.040 0.104 -9.463 1.00 0.00 C ATOM 153 CD LYS A 10 -11.285 0.838 -10.575 1.00 0.00 C ATOM 154 CE LYS A 10 -11.971 2.148 -10.976 1.00 0.00 C ATOM 155 NZ LYS A 10 -11.267 2.832 -12.057 1.00 0.00 N ATOM 0 H LYS A 10 -10.247 -2.524 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.641 0.105 -8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.682 -1.547 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.961 -1.834 -8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.996 -0.247 -9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.260 0.804 -8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.269 1.049 -10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.207 0.189 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.995 1.940 -11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.029 2.806 -10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.767 3.712 -12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.298 3.055 -11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.234 2.216 -12.894 1.00 0.00 H new ATOM 169 N ALA A 11 -10.759 1.144 -6.175 1.00 0.00 N ATOM 170 CA ALA A 11 -11.491 1.762 -5.054 1.00 0.00 C ATOM 171 C ALA A 11 -13.020 1.756 -5.243 1.00 0.00 C ATOM 172 O ALA A 11 -13.552 1.806 -6.348 1.00 0.00 O ATOM 173 CB ALA A 11 -11.063 3.203 -4.772 1.00 0.00 C ATOM 0 H ALA A 11 -10.016 1.709 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.228 1.131 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.641 3.597 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.002 3.225 -4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.241 3.815 -5.656 1.00 0.00 H new ATOM 179 N THR A 12 -13.656 1.711 -4.055 1.00 0.00 N ATOM 180 CA THR A 12 -15.111 1.714 -3.920 1.00 0.00 C ATOM 181 C THR A 12 -15.571 2.947 -3.111 1.00 0.00 C ATOM 182 O THR A 12 -16.738 3.086 -2.761 1.00 0.00 O ATOM 183 CB THR A 12 -15.663 0.399 -3.301 1.00 0.00 C ATOM 184 OG1 THR A 12 -16.997 0.434 -2.701 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.589 -0.244 -2.410 1.00 0.00 C ATOM 0 H THR A 12 -13.164 1.671 -3.162 1.00 0.00 H new ATOM 0 HA THR A 12 -15.527 1.774 -4.926 1.00 0.00 H new ATOM 0 HB THR A 12 -15.868 -0.250 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 12 -17.340 1.352 -2.719 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.979 -1.165 -1.978 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.707 -0.469 -3.009 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.319 0.446 -1.611 1.00 0.00 H new ATOM 193 N ALA A 13 -14.586 3.838 -2.848 1.00 0.00 N ATOM 194 CA ALA A 13 -14.850 5.049 -2.085 1.00 0.00 C ATOM 195 C ALA A 13 -13.857 6.138 -2.504 1.00 0.00 C ATOM 196 O ALA A 13 -12.806 5.882 -3.076 1.00 0.00 O ATOM 197 CB ALA A 13 -14.747 4.730 -0.592 1.00 0.00 C ATOM 0 H ALA A 13 -13.619 3.731 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.856 5.419 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.943 5.632 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.479 3.965 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.745 4.365 -0.366 1.00 0.00 H new ATOM 203 N ASP A 14 -14.286 7.366 -2.171 1.00 0.00 N ATOM 204 CA ASP A 14 -13.558 8.593 -2.480 1.00 0.00 C ATOM 205 C ASP A 14 -12.239 8.752 -1.680 1.00 0.00 C ATOM 206 O ASP A 14 -11.335 9.482 -2.069 1.00 0.00 O ATOM 207 CB ASP A 14 -14.562 9.708 -2.165 1.00 0.00 C ATOM 208 CG ASP A 14 -14.113 11.087 -2.673 1.00 0.00 C ATOM 209 OD1 ASP A 14 -14.014 11.261 -3.887 1.00 0.00 O ATOM 210 OD2 ASP A 14 -13.879 11.975 -1.852 1.00 0.00 O ATOM 0 H ASP A 14 -15.161 7.530 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.221 8.605 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.524 9.459 -2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.715 9.757 -1.087 1.00 0.00 H new ATOM 215 N ASP A 15 -12.199 8.015 -0.550 1.00 0.00 N ATOM 216 CA ASP A 15 -11.050 8.028 0.352 1.00 0.00 C ATOM 217 C ASP A 15 -9.996 6.968 -0.026 1.00 0.00 C ATOM 218 O ASP A 15 -8.840 7.045 0.367 1.00 0.00 O ATOM 219 CB ASP A 15 -11.584 7.845 1.776 1.00 0.00 C ATOM 220 CG ASP A 15 -12.405 6.558 1.967 1.00 0.00 C ATOM 221 OD1 ASP A 15 -11.811 5.491 2.092 1.00 0.00 O ATOM 222 OD2 ASP A 15 -13.635 6.643 1.995 1.00 0.00 O ATOM 0 H ASP A 15 -12.958 7.404 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.523 8.979 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.745 7.837 2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.204 8.703 2.035 1.00 0.00 H new ATOM 227 N GLU A 16 -10.479 6.003 -0.826 1.00 0.00 N ATOM 228 CA GLU A 16 -9.681 4.887 -1.317 1.00 0.00 C ATOM 229 C GLU A 16 -9.227 5.171 -2.762 1.00 0.00 C ATOM 230 O GLU A 16 -9.833 5.934 -3.504 1.00 0.00 O ATOM 231 CB GLU A 16 -10.600 3.654 -1.408 1.00 0.00 C ATOM 232 CG GLU A 16 -10.754 2.852 -0.120 1.00 0.00 C ATOM 233 CD GLU A 16 -11.818 1.756 -0.347 1.00 0.00 C ATOM 234 OE1 GLU A 16 -13.001 2.034 -0.152 1.00 0.00 O ATOM 235 OE2 GLU A 16 -11.456 0.647 -0.738 1.00 0.00 O ATOM 0 H GLU A 16 -11.446 5.983 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.828 4.737 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.588 3.982 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.215 2.992 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.802 2.402 0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.053 3.506 0.699 1.00 0.00 H new ATOM 242 N LEU A 17 -8.124 4.471 -3.105 1.00 0.00 N ATOM 243 CA LEU A 17 -7.585 4.554 -4.475 1.00 0.00 C ATOM 244 C LEU A 17 -7.176 3.167 -4.983 1.00 0.00 C ATOM 245 O LEU A 17 -6.917 2.221 -4.249 1.00 0.00 O ATOM 246 CB LEU A 17 -6.579 5.691 -4.708 1.00 0.00 C ATOM 247 CG LEU A 17 -5.243 5.589 -3.959 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.139 4.955 -4.805 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.780 6.984 -3.580 1.00 0.00 C ATOM 0 H LEU A 17 -7.605 3.861 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.397 4.877 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.368 5.746 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.056 6.631 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.416 4.960 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.217 4.908 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.436 3.947 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.975 5.557 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.831 6.920 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.650 7.582 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.526 7.453 -2.938 1.00 0.00 H new ATOM 261 N SER A 18 -7.150 3.169 -6.325 1.00 0.00 N ATOM 262 CA SER A 18 -6.889 2.012 -7.156 1.00 0.00 C ATOM 263 C SER A 18 -5.386 1.778 -7.392 1.00 0.00 C ATOM 264 O SER A 18 -4.546 2.648 -7.221 1.00 0.00 O ATOM 265 CB SER A 18 -7.528 2.393 -8.527 1.00 0.00 C ATOM 266 OG SER A 18 -8.962 2.778 -8.619 1.00 0.00 O ATOM 0 H SER A 18 -7.318 4.015 -6.869 1.00 0.00 H new ATOM 0 HA SER A 18 -7.281 1.108 -6.691 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.947 3.222 -8.931 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.381 1.545 -9.196 1.00 0.00 H new ATOM 0 HG SER A 18 -9.186 2.984 -9.550 1.00 0.00 H new ATOM 272 N PHE A 19 -5.151 0.518 -7.816 1.00 0.00 N ATOM 273 CA PHE A 19 -3.824 -0.004 -8.168 1.00 0.00 C ATOM 274 C PHE A 19 -4.010 -1.264 -9.039 1.00 0.00 C ATOM 275 O PHE A 19 -5.087 -1.841 -9.100 1.00 0.00 O ATOM 276 CB PHE A 19 -2.922 -0.253 -6.946 1.00 0.00 C ATOM 277 CG PHE A 19 -3.588 -1.031 -5.843 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.630 -2.421 -5.877 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.149 -0.366 -4.756 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.198 -3.133 -4.834 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.730 -1.079 -3.717 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.746 -2.464 -3.750 1.00 0.00 C ATOM 0 H PHE A 19 -5.894 -0.172 -7.923 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.290 0.755 -8.740 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.030 -0.790 -7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.590 0.707 -6.551 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.216 -2.949 -6.723 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.132 0.713 -4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.214 -4.212 -4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.170 -0.554 -2.882 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.184 -3.021 -2.934 1.00 0.00 H new ATOM 292 N LYS A 20 -2.896 -1.644 -9.706 1.00 0.00 N ATOM 293 CA LYS A 20 -2.905 -2.797 -10.609 1.00 0.00 C ATOM 294 C LYS A 20 -1.686 -3.711 -10.394 1.00 0.00 C ATOM 295 O LYS A 20 -0.588 -3.442 -10.860 1.00 0.00 O ATOM 296 CB LYS A 20 -3.018 -2.360 -12.070 1.00 0.00 C ATOM 297 CG LYS A 20 -2.197 -1.106 -12.268 1.00 0.00 C ATOM 298 CD LYS A 20 -1.895 -0.713 -13.710 1.00 0.00 C ATOM 299 CE LYS A 20 -0.954 0.493 -13.740 1.00 0.00 C ATOM 300 NZ LYS A 20 -0.650 0.941 -15.093 1.00 0.00 N ATOM 0 H LYS A 20 -1.996 -1.171 -9.632 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.791 -3.383 -10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.663 -3.152 -12.729 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.060 -2.174 -12.329 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.719 -0.277 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.250 -1.231 -11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.440 -1.552 -14.236 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.822 -0.474 -14.232 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.406 1.314 -13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.025 0.236 -13.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.009 1.759 -15.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.193 0.169 -15.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.530 1.214 -15.574 1.00 0.00 H new ATOM 314 N ARG A 21 -2.013 -4.821 -9.703 1.00 0.00 N ATOM 315 CA ARG A 21 -1.188 -5.974 -9.292 1.00 0.00 C ATOM 316 C ARG A 21 0.327 -5.943 -9.603 1.00 0.00 C ATOM 317 O ARG A 21 0.910 -6.835 -10.206 1.00 0.00 O ATOM 318 CB ARG A 21 -1.818 -7.193 -9.953 1.00 0.00 C ATOM 319 CG ARG A 21 -1.734 -6.992 -11.462 1.00 0.00 C ATOM 320 CD ARG A 21 -1.064 -8.158 -12.181 1.00 0.00 C ATOM 321 NE ARG A 21 -1.863 -9.369 -12.035 1.00 0.00 N ATOM 322 CZ ARG A 21 -1.388 -10.593 -12.347 1.00 0.00 C ATOM 323 NH1 ARG A 21 -0.167 -10.751 -12.843 1.00 0.00 N ATOM 324 NH2 ARG A 21 -2.153 -11.659 -12.158 1.00 0.00 N ATOM 0 H ARG A 21 -2.973 -4.945 -9.383 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.196 -5.975 -8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.295 -8.102 -9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.856 -7.306 -9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.739 -6.855 -11.861 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.180 -6.077 -11.671 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.941 -7.920 -13.238 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.066 -8.321 -11.773 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.817 -9.288 -11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.431 -9.939 -12.995 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.173 -11.685 -13.072 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.094 -11.551 -11.779 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.801 -12.587 -12.392 1.00 0.00 H new ATOM 338 N GLY A 22 0.903 -4.863 -9.116 1.00 0.00 N ATOM 339 CA GLY A 22 2.330 -4.639 -9.291 1.00 0.00 C ATOM 340 C GLY A 22 2.759 -3.191 -9.074 1.00 0.00 C ATOM 341 O GLY A 22 3.941 -2.882 -9.198 1.00 0.00 O ATOM 0 H GLY A 22 0.414 -4.131 -8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.876 -5.278 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.615 -4.945 -10.297 1.00 0.00 H new ATOM 345 N ASP A 23 1.775 -2.310 -8.758 1.00 0.00 N ATOM 346 CA ASP A 23 2.186 -0.932 -8.535 1.00 0.00 C ATOM 347 C ASP A 23 2.861 -0.839 -7.165 1.00 0.00 C ATOM 348 O ASP A 23 2.494 -1.520 -6.218 1.00 0.00 O ATOM 349 CB ASP A 23 0.996 0.038 -8.565 1.00 0.00 C ATOM 350 CG ASP A 23 0.381 0.238 -9.958 1.00 0.00 C ATOM 351 OD1 ASP A 23 1.076 0.055 -10.959 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.791 0.599 -10.025 1.00 0.00 O ATOM 0 H ASP A 23 0.781 -2.516 -8.662 1.00 0.00 H new ATOM 0 HA ASP A 23 2.869 -0.650 -9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.224 -0.331 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.320 1.005 -8.181 1.00 0.00 H new ATOM 357 N ILE A 24 3.857 0.062 -7.134 1.00 0.00 N ATOM 358 CA ILE A 24 4.601 0.302 -5.909 1.00 0.00 C ATOM 359 C ILE A 24 3.998 1.578 -5.313 1.00 0.00 C ATOM 360 O ILE A 24 3.885 2.606 -5.971 1.00 0.00 O ATOM 361 CB ILE A 24 6.110 0.447 -6.204 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.669 -0.851 -6.827 1.00 0.00 C ATOM 363 CG2 ILE A 24 6.900 0.822 -4.937 1.00 0.00 C ATOM 364 CD1 ILE A 24 8.127 -0.738 -7.288 1.00 0.00 C ATOM 0 H ILE A 24 4.154 0.622 -7.933 1.00 0.00 H new ATOM 0 HA ILE A 24 4.523 -0.528 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 24 6.230 1.259 -6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.590 -1.657 -6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.049 -1.131 -7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.958 0.916 -5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.533 1.771 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.770 0.045 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.449 -1.688 -7.714 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.211 0.045 -8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.760 -0.490 -6.436 1.00 0.00 H new ATOM 376 N LEU A 25 3.614 1.428 -4.032 1.00 0.00 N ATOM 377 CA LEU A 25 2.996 2.518 -3.307 1.00 0.00 C ATOM 378 C LEU A 25 4.020 3.140 -2.372 1.00 0.00 C ATOM 379 O LEU A 25 5.149 2.683 -2.210 1.00 0.00 O ATOM 380 CB LEU A 25 1.836 2.016 -2.434 1.00 0.00 C ATOM 381 CG LEU A 25 0.804 1.118 -3.101 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.274 1.677 -4.398 1.00 0.00 C ATOM 383 CD2 LEU A 25 1.172 -0.365 -3.243 1.00 0.00 C ATOM 0 H LEU A 25 3.725 0.568 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 25 2.626 3.236 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.259 1.474 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.317 2.885 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.003 1.126 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.457 0.987 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.201 2.640 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.097 1.808 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.356 -0.897 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.078 -0.459 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.343 -0.793 -2.256 1.00 0.00 H new ATOM 395 N LYS A 26 3.482 4.196 -1.749 1.00 0.00 N ATOM 396 CA LYS A 26 4.297 4.960 -0.800 1.00 0.00 C ATOM 397 C LYS A 26 3.529 5.087 0.504 1.00 0.00 C ATOM 398 O LYS A 26 2.615 5.883 0.621 1.00 0.00 O ATOM 399 CB LYS A 26 4.684 6.336 -1.365 1.00 0.00 C ATOM 400 CG LYS A 26 5.744 7.059 -0.513 1.00 0.00 C ATOM 401 CD LYS A 26 5.596 8.587 -0.555 1.00 0.00 C ATOM 402 CE LYS A 26 4.643 9.091 0.529 1.00 0.00 C ATOM 403 NZ LYS A 26 4.414 10.528 0.431 1.00 0.00 N ATOM 0 H LYS A 26 2.527 4.530 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 26 5.233 4.431 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.063 6.213 -2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.792 6.959 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.668 6.719 0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.738 6.784 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.574 9.051 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.227 8.890 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.691 8.566 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.054 8.856 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.429 10.741 0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.055 11.027 1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.595 10.843 -0.544 1.00 0.00 H new ATOM 417 N VAL A 27 4.024 4.335 1.502 1.00 0.00 N ATOM 418 CA VAL A 27 3.336 4.311 2.784 1.00 0.00 C ATOM 419 C VAL A 27 3.875 5.471 3.619 1.00 0.00 C ATOM 420 O VAL A 27 5.022 5.528 4.046 1.00 0.00 O ATOM 421 CB VAL A 27 3.630 2.953 3.445 1.00 0.00 C ATOM 422 CG1 VAL A 27 3.235 2.881 4.929 1.00 0.00 C ATOM 423 CG2 VAL A 27 2.958 1.817 2.666 1.00 0.00 C ATOM 0 H VAL A 27 4.865 3.760 1.443 1.00 0.00 H new ATOM 0 HA VAL A 27 2.257 4.424 2.683 1.00 0.00 H new ATOM 0 HB VAL A 27 4.713 2.837 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.474 1.893 5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.786 3.637 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.165 3.062 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.178 0.865 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.880 1.975 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.338 1.802 1.645 1.00 0.00 H new ATOM 433 N LEU A 28 2.904 6.392 3.767 1.00 0.00 N ATOM 434 CA LEU A 28 3.068 7.646 4.477 1.00 0.00 C ATOM 435 C LEU A 28 2.658 7.511 5.954 1.00 0.00 C ATOM 436 O LEU A 28 3.315 8.053 6.833 1.00 0.00 O ATOM 437 CB LEU A 28 2.200 8.679 3.738 1.00 0.00 C ATOM 438 CG LEU A 28 2.238 10.097 4.335 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.627 10.734 4.197 1.00 0.00 C ATOM 440 CD2 LEU A 28 1.176 10.984 3.674 1.00 0.00 C ATOM 0 H LEU A 28 1.967 6.269 3.382 1.00 0.00 H new ATOM 0 HA LEU A 28 4.113 7.957 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.524 8.729 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.168 8.329 3.734 1.00 0.00 H new ATOM 0 HG LEU A 28 2.018 10.012 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.613 11.734 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.362 10.122 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.894 10.799 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.216 11.983 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.368 11.045 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.188 10.555 3.842 1.00 0.00 H new ATOM 452 N ASN A 29 1.543 6.771 6.184 1.00 0.00 N ATOM 453 CA ASN A 29 1.074 6.613 7.564 1.00 0.00 C ATOM 454 C ASN A 29 0.152 5.383 7.702 1.00 0.00 C ATOM 455 O ASN A 29 -0.594 5.017 6.802 1.00 0.00 O ATOM 456 CB ASN A 29 0.335 7.906 7.981 1.00 0.00 C ATOM 457 CG ASN A 29 0.126 8.011 9.501 1.00 0.00 C ATOM 458 OD1 ASN A 29 0.834 7.404 10.292 1.00 0.00 O ATOM 459 ND2 ASN A 29 -0.885 8.822 9.852 1.00 0.00 N ATOM 0 H ASN A 29 0.986 6.302 5.469 1.00 0.00 H new ATOM 0 HA ASN A 29 1.927 6.447 8.222 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.903 8.770 7.637 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.634 7.942 7.483 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.106 8.965 10.838 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.432 9.295 9.133 1.00 0.00 H new ATOM 466 N GLU A 30 0.260 4.788 8.908 1.00 0.00 N ATOM 467 CA GLU A 30 -0.530 3.619 9.282 1.00 0.00 C ATOM 468 C GLU A 30 -0.793 3.708 10.798 1.00 0.00 C ATOM 469 O GLU A 30 0.079 3.489 11.628 1.00 0.00 O ATOM 470 CB GLU A 30 0.154 2.311 8.840 1.00 0.00 C ATOM 471 CG GLU A 30 1.603 2.133 9.334 1.00 0.00 C ATOM 472 CD GLU A 30 2.185 0.799 8.840 1.00 0.00 C ATOM 473 OE1 GLU A 30 1.813 -0.242 9.379 1.00 0.00 O ATOM 474 OE2 GLU A 30 3.005 0.812 7.924 1.00 0.00 O ATOM 0 H GLU A 30 0.895 5.109 9.638 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.489 3.608 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.441 1.470 9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.150 2.267 7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.218 2.959 8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.628 2.165 10.423 1.00 0.00 H new ATOM 481 N GLU A 31 -2.064 4.065 11.081 1.00 0.00 N ATOM 482 CA GLU A 31 -2.530 4.237 12.458 1.00 0.00 C ATOM 483 C GLU A 31 -4.051 4.460 12.472 1.00 0.00 C ATOM 484 O GLU A 31 -4.596 5.196 13.287 1.00 0.00 O ATOM 485 CB GLU A 31 -1.788 5.378 13.157 1.00 0.00 C ATOM 486 CG GLU A 31 -1.880 6.650 12.323 1.00 0.00 C ATOM 487 CD GLU A 31 -1.318 7.897 13.026 1.00 0.00 C ATOM 488 OE1 GLU A 31 -0.334 7.783 13.756 1.00 0.00 O ATOM 489 OE2 GLU A 31 -1.877 8.977 12.828 1.00 0.00 O ATOM 0 H GLU A 31 -2.777 4.237 10.372 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.311 3.327 13.017 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.216 5.550 14.145 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.743 5.106 13.305 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.342 6.499 11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.924 6.829 12.065 1.00 0.00 H new ATOM 496 N CYS A 32 -4.687 3.776 11.503 1.00 0.00 N ATOM 497 CA CYS A 32 -6.132 3.851 11.322 1.00 0.00 C ATOM 498 C CYS A 32 -6.747 2.494 11.670 1.00 0.00 C ATOM 499 O CYS A 32 -7.369 2.316 12.708 1.00 0.00 O ATOM 500 CB CYS A 32 -6.458 4.272 9.876 1.00 0.00 C ATOM 501 SG CYS A 32 -5.918 5.957 9.499 1.00 0.00 S ATOM 0 H CYS A 32 -4.213 3.166 10.836 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.559 4.603 11.986 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.980 3.579 9.184 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.533 4.195 9.713 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.403 6.321 8.349 1.00 0.00 H new ATOM 507 N ASP A 33 -6.525 1.557 10.733 1.00 0.00 N ATOM 508 CA ASP A 33 -7.055 0.211 10.887 1.00 0.00 C ATOM 509 C ASP A 33 -6.021 -0.765 10.320 1.00 0.00 C ATOM 510 O ASP A 33 -5.314 -0.483 9.363 1.00 0.00 O ATOM 511 CB ASP A 33 -8.430 0.136 10.187 1.00 0.00 C ATOM 512 CG ASP A 33 -9.186 -1.203 10.325 1.00 0.00 C ATOM 513 OD1 ASP A 33 -8.771 -2.072 11.088 1.00 0.00 O ATOM 514 OD2 ASP A 33 -10.209 -1.351 9.662 1.00 0.00 O ATOM 0 H ASP A 33 -5.990 1.712 9.878 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.223 -0.057 11.930 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.062 0.930 10.584 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.288 0.343 9.126 1.00 0.00 H new ATOM 519 N GLN A 34 -5.990 -1.917 11.003 1.00 0.00 N ATOM 520 CA GLN A 34 -5.121 -3.049 10.732 1.00 0.00 C ATOM 521 C GLN A 34 -5.764 -3.929 9.655 1.00 0.00 C ATOM 522 O GLN A 34 -6.027 -5.114 9.831 1.00 0.00 O ATOM 523 CB GLN A 34 -4.974 -3.821 12.043 1.00 0.00 C ATOM 524 CG GLN A 34 -6.324 -4.181 12.707 1.00 0.00 C ATOM 525 CD GLN A 34 -6.131 -5.173 13.858 1.00 0.00 C ATOM 526 OE1 GLN A 34 -6.127 -4.817 15.029 1.00 0.00 O ATOM 527 NE2 GLN A 34 -5.984 -6.440 13.443 1.00 0.00 N ATOM 0 H GLN A 34 -6.606 -2.084 11.799 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.143 -2.731 10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.416 -4.738 11.854 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.383 -3.227 12.740 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.801 -3.275 13.081 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.995 -4.610 11.963 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.999 -6.655 12.446 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.857 -7.188 14.124 1.00 0.00 H new ATOM 536 N ASN A 35 -5.961 -3.221 8.534 1.00 0.00 N ATOM 537 CA ASN A 35 -6.597 -3.695 7.327 1.00 0.00 C ATOM 538 C ASN A 35 -6.479 -2.624 6.224 1.00 0.00 C ATOM 539 O ASN A 35 -6.556 -2.970 5.058 1.00 0.00 O ATOM 540 CB ASN A 35 -8.092 -3.920 7.601 1.00 0.00 C ATOM 541 CG ASN A 35 -8.388 -5.308 8.174 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.715 -6.289 7.886 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.459 -5.318 8.980 1.00 0.00 N ATOM 0 H ASN A 35 -5.659 -2.250 8.455 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.115 -4.620 7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.447 -3.161 8.298 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.650 -3.788 6.674 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.769 -6.192 9.406 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.964 -4.452 9.168 1.00 0.00 H new ATOM 550 N TRP A 36 -6.289 -1.336 6.618 1.00 0.00 N ATOM 551 CA TRP A 36 -6.193 -0.256 5.632 1.00 0.00 C ATOM 552 C TRP A 36 -5.059 0.724 5.982 1.00 0.00 C ATOM 553 O TRP A 36 -5.009 1.321 7.050 1.00 0.00 O ATOM 554 CB TRP A 36 -7.505 0.535 5.619 1.00 0.00 C ATOM 555 CG TRP A 36 -8.655 -0.387 5.273 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.415 -1.168 6.159 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.144 -0.668 3.948 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.310 -1.891 5.444 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.178 -1.616 4.091 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.800 -0.207 2.702 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.830 -2.078 2.986 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.470 -0.678 1.575 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.490 -1.614 1.717 1.00 0.00 C ATOM 0 H TRP A 36 -6.203 -1.038 7.590 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.992 -0.709 4.661 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.674 0.993 6.594 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.445 1.345 4.892 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.304 -1.189 7.233 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.984 -2.544 5.843 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.010 0.521 2.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.617 -2.810 3.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.199 -0.318 0.594 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.016 -1.979 0.847 1.00 0.00 H new ATOM 574 N TYR A 37 -4.180 0.845 4.972 1.00 0.00 N ATOM 575 CA TYR A 37 -3.004 1.715 5.004 1.00 0.00 C ATOM 576 C TYR A 37 -3.239 2.939 4.119 1.00 0.00 C ATOM 577 O TYR A 37 -3.896 2.856 3.093 1.00 0.00 O ATOM 578 CB TYR A 37 -1.802 1.006 4.363 1.00 0.00 C ATOM 579 CG TYR A 37 -1.242 -0.148 5.144 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.280 -0.182 6.531 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.630 -1.190 4.462 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.707 -1.224 7.232 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.047 -2.245 5.144 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.060 -2.259 6.544 1.00 0.00 C ATOM 585 OH TYR A 37 0.556 -3.293 7.237 1.00 0.00 O ATOM 0 H TYR A 37 -4.274 0.329 4.097 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.825 1.977 6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.097 0.646 3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.009 1.738 4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.765 0.619 7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.608 -1.178 3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.757 -1.241 8.311 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.416 -3.054 4.598 1.00 0.00 H new ATOM 0 HH TYR A 37 0.953 -3.923 6.600 1.00 0.00 H new ATOM 595 N LYS A 38 -2.625 4.058 4.559 1.00 0.00 N ATOM 596 CA LYS A 38 -2.720 5.289 3.790 1.00 0.00 C ATOM 597 C LYS A 38 -1.385 5.441 3.044 1.00 0.00 C ATOM 598 O LYS A 38 -0.370 5.816 3.620 1.00 0.00 O ATOM 599 CB LYS A 38 -3.014 6.477 4.692 1.00 0.00 C ATOM 600 CG LYS A 38 -3.442 7.666 3.831 1.00 0.00 C ATOM 601 CD LYS A 38 -3.824 8.872 4.667 1.00 0.00 C ATOM 602 CE LYS A 38 -5.196 8.738 5.338 1.00 0.00 C ATOM 603 NZ LYS A 38 -5.567 9.933 6.088 1.00 0.00 N ATOM 0 H LYS A 38 -2.077 4.123 5.417 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.546 5.251 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.802 6.224 5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.130 6.734 5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.628 7.936 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.288 7.375 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.066 9.027 5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.823 9.759 4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.952 8.540 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.187 7.879 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.501 9.794 6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.862 10.109 6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.603 10.749 5.445 1.00 0.00 H new ATOM 617 N ALA A 39 -1.451 5.096 1.736 1.00 0.00 N ATOM 618 CA ALA A 39 -0.254 5.162 0.899 1.00 0.00 C ATOM 619 C ALA A 39 -0.448 6.191 -0.217 1.00 0.00 C ATOM 620 O ALA A 39 -1.423 6.930 -0.213 1.00 0.00 O ATOM 621 CB ALA A 39 0.056 3.757 0.375 1.00 0.00 C ATOM 0 H ALA A 39 -2.296 4.780 1.260 1.00 0.00 H new ATOM 0 HA ALA A 39 0.607 5.498 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.947 3.791 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.229 3.085 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.787 3.394 -0.213 1.00 0.00 H new ATOM 627 N GLU A 40 0.518 6.195 -1.170 1.00 0.00 N ATOM 628 CA GLU A 40 0.442 7.169 -2.255 1.00 0.00 C ATOM 629 C GLU A 40 0.736 6.559 -3.639 1.00 0.00 C ATOM 630 O GLU A 40 1.569 5.676 -3.808 1.00 0.00 O ATOM 631 CB GLU A 40 1.424 8.310 -1.922 1.00 0.00 C ATOM 632 CG GLU A 40 0.697 9.624 -1.631 1.00 0.00 C ATOM 633 CD GLU A 40 1.675 10.673 -1.083 1.00 0.00 C ATOM 634 OE1 GLU A 40 2.574 11.087 -1.816 1.00 0.00 O ATOM 635 OE2 GLU A 40 1.552 11.052 0.081 1.00 0.00 O ATOM 0 H GLU A 40 1.317 5.562 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.579 7.544 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.026 8.030 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.111 8.453 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.229 9.996 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.102 9.452 -0.910 1.00 0.00 H new ATOM 642 N LEU A 41 -0.012 7.150 -4.594 1.00 0.00 N ATOM 643 CA LEU A 41 0.075 6.815 -6.019 1.00 0.00 C ATOM 644 C LEU A 41 -0.505 7.887 -6.913 1.00 0.00 C ATOM 645 O LEU A 41 -1.620 8.350 -6.723 1.00 0.00 O ATOM 646 CB LEU A 41 -0.858 5.652 -6.405 1.00 0.00 C ATOM 647 CG LEU A 41 -0.280 4.259 -6.313 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.459 3.293 -6.256 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.552 3.979 -7.567 1.00 0.00 C ATOM 0 H LEU A 41 -0.697 7.878 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 41 1.141 6.629 -6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.740 5.697 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.197 5.813 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 41 0.357 4.149 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.088 2.270 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.070 3.516 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.062 3.402 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.973 2.975 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.083 4.055 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.360 4.707 -7.638 1.00 0.00 H new ATOM 661 N ASN A 42 0.304 8.182 -7.952 1.00 0.00 N ATOM 662 CA ASN A 42 -0.192 9.043 -9.012 1.00 0.00 C ATOM 663 C ASN A 42 -0.683 10.432 -8.542 1.00 0.00 C ATOM 664 O ASN A 42 -1.614 11.006 -9.095 1.00 0.00 O ATOM 665 CB ASN A 42 -1.291 8.152 -9.658 1.00 0.00 C ATOM 666 CG ASN A 42 -1.216 8.060 -11.175 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.395 9.019 -11.914 1.00 0.00 O ATOM 668 ND2 ASN A 42 -0.926 6.806 -11.559 1.00 0.00 N ATOM 0 H ASN A 42 1.261 7.847 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 42 0.584 9.347 -9.715 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.218 7.147 -9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.269 8.543 -9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.836 6.584 -12.551 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.795 6.076 -10.859 1.00 0.00 H new ATOM 675 N GLY A 43 -0.006 10.917 -7.478 1.00 0.00 N ATOM 676 CA GLY A 43 -0.338 12.217 -6.897 1.00 0.00 C ATOM 677 C GLY A 43 -1.645 12.217 -6.086 1.00 0.00 C ATOM 678 O GLY A 43 -2.227 13.266 -5.836 1.00 0.00 O ATOM 0 H GLY A 43 0.761 10.429 -7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.480 12.536 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.417 12.953 -7.697 1.00 0.00 H new ATOM 682 N LYS A 44 -2.080 10.991 -5.709 1.00 0.00 N ATOM 683 CA LYS A 44 -3.292 10.802 -4.930 1.00 0.00 C ATOM 684 C LYS A 44 -2.981 9.801 -3.819 1.00 0.00 C ATOM 685 O LYS A 44 -2.436 8.732 -4.059 1.00 0.00 O ATOM 686 CB LYS A 44 -4.404 10.246 -5.835 1.00 0.00 C ATOM 687 CG LYS A 44 -4.770 11.188 -6.987 1.00 0.00 C ATOM 688 CD LYS A 44 -5.446 12.488 -6.531 1.00 0.00 C ATOM 689 CE LYS A 44 -5.674 13.447 -7.703 1.00 0.00 C ATOM 690 NZ LYS A 44 -6.290 14.699 -7.273 1.00 0.00 N ATOM 0 H LYS A 44 -1.595 10.124 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.628 11.748 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.085 9.288 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.293 10.056 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.866 11.435 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.435 10.665 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.401 12.256 -6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.828 12.975 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.721 13.660 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.310 12.966 -8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.427 15.319 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.211 14.500 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.672 15.171 -6.583 1.00 0.00 H new ATOM 704 N ASP A 45 -3.330 10.236 -2.595 1.00 0.00 N ATOM 705 CA ASP A 45 -3.147 9.425 -1.402 1.00 0.00 C ATOM 706 C ASP A 45 -4.517 8.791 -1.063 1.00 0.00 C ATOM 707 O ASP A 45 -5.565 9.374 -1.320 1.00 0.00 O ATOM 708 CB ASP A 45 -2.594 10.303 -0.264 1.00 0.00 C ATOM 709 CG ASP A 45 -3.624 11.336 0.241 1.00 0.00 C ATOM 710 OD1 ASP A 45 -3.862 12.319 -0.462 1.00 0.00 O ATOM 711 OD2 ASP A 45 -4.178 11.144 1.323 1.00 0.00 O ATOM 0 H ASP A 45 -3.742 11.152 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.421 8.626 -1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.287 9.666 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.702 10.824 -0.612 1.00 0.00 H new ATOM 716 N GLY A 46 -4.455 7.575 -0.497 1.00 0.00 N ATOM 717 CA GLY A 46 -5.708 6.886 -0.180 1.00 0.00 C ATOM 718 C GLY A 46 -5.492 5.558 0.531 1.00 0.00 C ATOM 719 O GLY A 46 -4.380 5.058 0.661 1.00 0.00 O ATOM 0 H GLY A 46 -3.599 7.073 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.323 7.532 0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.264 6.713 -1.101 1.00 0.00 H new ATOM 723 N PHE A 47 -6.653 5.013 0.955 1.00 0.00 N ATOM 724 CA PHE A 47 -6.670 3.739 1.661 1.00 0.00 C ATOM 725 C PHE A 47 -6.556 2.564 0.675 1.00 0.00 C ATOM 726 O PHE A 47 -7.179 2.536 -0.380 1.00 0.00 O ATOM 727 CB PHE A 47 -7.956 3.624 2.480 1.00 0.00 C ATOM 728 CG PHE A 47 -7.976 4.649 3.578 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.267 4.438 4.756 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.690 5.827 3.423 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.276 5.394 5.763 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.692 6.789 4.419 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.989 6.574 5.596 1.00 0.00 C ATOM 0 H PHE A 47 -7.571 5.437 0.818 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.812 3.699 2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.821 3.762 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.034 2.624 2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.706 3.525 4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.251 5.996 2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.728 5.220 6.677 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.242 7.708 4.280 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.996 7.320 6.377 1.00 0.00 H new ATOM 743 N ILE A 48 -5.709 1.609 1.115 1.00 0.00 N ATOM 744 CA ILE A 48 -5.437 0.391 0.359 1.00 0.00 C ATOM 745 C ILE A 48 -5.461 -0.776 1.369 1.00 0.00 C ATOM 746 O ILE A 48 -4.937 -0.639 2.467 1.00 0.00 O ATOM 747 CB ILE A 48 -4.080 0.491 -0.376 1.00 0.00 C ATOM 748 CG1 ILE A 48 -2.873 0.621 0.580 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.095 1.639 -1.402 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.521 0.580 -0.134 1.00 0.00 C ATOM 0 H ILE A 48 -5.203 1.670 1.999 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.187 0.232 -0.415 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.949 -0.454 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.956 1.558 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.912 -0.185 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.130 1.689 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.879 1.460 -2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.286 2.582 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.720 0.677 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.417 -0.368 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.461 1.402 -0.848 1.00 0.00 H new ATOM 762 N PRO A 49 -6.098 -1.925 0.999 1.00 0.00 N ATOM 763 CA PRO A 49 -6.165 -3.075 1.897 1.00 0.00 C ATOM 764 C PRO A 49 -4.804 -3.759 2.107 1.00 0.00 C ATOM 765 O PRO A 49 -4.018 -3.857 1.173 1.00 0.00 O ATOM 766 CB PRO A 49 -7.138 -4.064 1.246 1.00 0.00 C ATOM 767 CG PRO A 49 -7.635 -3.406 -0.044 1.00 0.00 C ATOM 768 CD PRO A 49 -6.798 -2.149 -0.265 1.00 0.00 C ATOM 0 HA PRO A 49 -6.489 -2.744 2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.642 -5.011 1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.971 -4.284 1.914 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.533 -4.089 -0.888 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.692 -3.154 0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.094 -2.284 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.428 -1.297 -0.522 1.00 0.00 H new ATOM 776 N LYS A 50 -4.574 -4.270 3.344 1.00 0.00 N ATOM 777 CA LYS A 50 -3.284 -4.935 3.550 1.00 0.00 C ATOM 778 C LYS A 50 -3.200 -6.285 2.812 1.00 0.00 C ATOM 779 O LYS A 50 -2.124 -6.661 2.372 1.00 0.00 O ATOM 780 CB LYS A 50 -3.069 -5.267 5.028 1.00 0.00 C ATOM 781 CG LYS A 50 -3.134 -4.063 5.960 1.00 0.00 C ATOM 782 CD LYS A 50 -2.490 -4.369 7.315 1.00 0.00 C ATOM 783 CE LYS A 50 -3.120 -5.552 8.055 1.00 0.00 C ATOM 784 NZ LYS A 50 -2.585 -5.683 9.406 1.00 0.00 N ATOM 0 H LYS A 50 -5.208 -4.237 4.142 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.537 -4.237 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.821 -5.992 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.097 -5.747 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.627 -3.216 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.174 -3.771 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.430 -4.572 7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.558 -3.482 7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.201 -5.420 8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.935 -6.471 7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.033 -6.494 9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.557 -5.834 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.783 -4.815 9.944 1.00 0.00 H new ATOM 798 N ASN A 51 -4.351 -6.993 2.676 1.00 0.00 N ATOM 799 CA ASN A 51 -4.298 -8.292 1.982 1.00 0.00 C ATOM 800 C ASN A 51 -4.094 -8.176 0.453 1.00 0.00 C ATOM 801 O ASN A 51 -3.842 -9.169 -0.219 1.00 0.00 O ATOM 802 CB ASN A 51 -5.393 -9.279 2.418 1.00 0.00 C ATOM 803 CG ASN A 51 -6.786 -8.682 2.594 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.193 -8.332 3.692 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.498 -8.602 1.468 1.00 0.00 N ATOM 0 H ASN A 51 -5.269 -6.706 3.016 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.378 -8.761 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.451 -10.079 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.091 -9.736 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.447 -8.229 1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.093 -8.914 0.585 1.00 0.00 H new ATOM 812 N TYR A 52 -4.156 -6.925 -0.055 1.00 0.00 N ATOM 813 CA TYR A 52 -3.925 -6.719 -1.485 1.00 0.00 C ATOM 814 C TYR A 52 -2.456 -6.343 -1.801 1.00 0.00 C ATOM 815 O TYR A 52 -2.108 -6.230 -2.967 1.00 0.00 O ATOM 816 CB TYR A 52 -4.871 -5.609 -1.964 1.00 0.00 C ATOM 817 CG TYR A 52 -6.192 -6.206 -2.343 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.005 -6.745 -1.358 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.605 -6.273 -3.669 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.194 -7.371 -1.674 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.781 -6.914 -4.004 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.580 -7.482 -3.018 1.00 0.00 C ATOM 823 OH TYR A 52 -9.742 -8.119 -3.416 1.00 0.00 O ATOM 0 H TYR A 52 -4.356 -6.082 0.484 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.123 -7.655 -2.008 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.008 -4.868 -1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.436 -5.090 -2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.702 -6.674 -0.324 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.002 -5.821 -4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.822 -7.772 -0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.082 -6.975 -5.039 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.725 -9.050 -3.112 1.00 0.00 H new ATOM 833 N ILE A 53 -1.632 -6.179 -0.736 1.00 0.00 N ATOM 834 CA ILE A 53 -0.204 -5.828 -0.861 1.00 0.00 C ATOM 835 C ILE A 53 0.656 -6.814 -0.033 1.00 0.00 C ATOM 836 O ILE A 53 0.173 -7.601 0.774 1.00 0.00 O ATOM 837 CB ILE A 53 0.057 -4.317 -0.528 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.342 -3.996 0.283 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.159 -3.653 0.127 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.481 -2.529 0.639 1.00 0.00 C ATOM 0 H ILE A 53 -1.943 -6.287 0.230 1.00 0.00 H new ATOM 0 HA ILE A 53 0.103 -5.938 -1.901 1.00 0.00 H new ATOM 0 HB ILE A 53 0.234 -3.885 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.340 -4.586 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.213 -4.306 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.932 -2.608 0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.012 -3.709 -0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.398 -4.169 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.400 -2.377 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.514 -1.935 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.628 -2.219 1.243 1.00 0.00 H new ATOM 852 N GLU A 54 1.964 -6.684 -0.331 1.00 0.00 N ATOM 853 CA GLU A 54 3.086 -7.380 0.273 1.00 0.00 C ATOM 854 C GLU A 54 4.067 -6.268 0.688 1.00 0.00 C ATOM 855 O GLU A 54 4.533 -5.495 -0.141 1.00 0.00 O ATOM 856 CB GLU A 54 3.731 -8.325 -0.738 1.00 0.00 C ATOM 857 CG GLU A 54 4.794 -9.217 -0.085 1.00 0.00 C ATOM 858 CD GLU A 54 4.158 -10.313 0.789 1.00 0.00 C ATOM 859 OE1 GLU A 54 3.701 -11.314 0.239 1.00 0.00 O ATOM 860 OE2 GLU A 54 4.126 -10.152 2.008 1.00 0.00 O ATOM 0 H GLU A 54 2.272 -6.037 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 54 2.785 -7.992 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.963 -8.949 -1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.187 -7.744 -1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.407 -9.679 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.458 -8.605 0.525 1.00 0.00 H new ATOM 867 N MET A 55 4.325 -6.218 2.011 1.00 0.00 N ATOM 868 CA MET A 55 5.208 -5.182 2.542 1.00 0.00 C ATOM 869 C MET A 55 6.672 -5.615 2.538 1.00 0.00 C ATOM 870 O MET A 55 7.028 -6.787 2.591 1.00 0.00 O ATOM 871 CB MET A 55 4.796 -4.810 3.969 1.00 0.00 C ATOM 872 CG MET A 55 3.428 -4.120 4.003 1.00 0.00 C ATOM 873 SD MET A 55 2.051 -5.244 3.691 1.00 0.00 S ATOM 874 CE MET A 55 2.011 -6.121 5.266 1.00 0.00 C ATOM 0 H MET A 55 3.945 -6.863 2.704 1.00 0.00 H new ATOM 0 HA MET A 55 5.109 -4.316 1.888 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.765 -5.709 4.585 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.547 -4.151 4.404 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.290 -3.650 4.977 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.413 -3.323 3.259 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.121 -7.191 5.090 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.828 -5.772 5.898 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.060 -5.931 5.764 1.00 0.00 H new ATOM 884 N LYS A 56 7.471 -4.530 2.501 1.00 0.00 N ATOM 885 CA LYS A 56 8.920 -4.606 2.494 1.00 0.00 C ATOM 886 C LYS A 56 9.494 -3.283 3.066 1.00 0.00 C ATOM 887 O LYS A 56 9.570 -2.284 2.364 1.00 0.00 O ATOM 888 CB LYS A 56 9.417 -4.776 1.048 1.00 0.00 C ATOM 889 CG LYS A 56 9.127 -6.144 0.418 1.00 0.00 C ATOM 890 CD LYS A 56 9.795 -6.282 -0.955 1.00 0.00 C ATOM 891 CE LYS A 56 11.296 -6.573 -0.868 1.00 0.00 C ATOM 892 NZ LYS A 56 11.928 -6.542 -2.182 1.00 0.00 N ATOM 0 H LYS A 56 7.112 -3.576 2.475 1.00 0.00 H new ATOM 0 HA LYS A 56 9.246 -5.453 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.959 -4.004 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.493 -4.604 1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.485 -6.934 1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.050 -6.278 0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.308 -7.083 -1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.642 -5.363 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.772 -5.839 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.451 -7.551 -0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.944 -6.743 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.491 -7.260 -2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.801 -5.601 -2.606 1.00 0.00 H new ATOM 906 N PRO A 57 9.870 -3.272 4.375 1.00 0.00 N ATOM 907 CA PRO A 57 10.478 -2.071 4.964 1.00 0.00 C ATOM 908 C PRO A 57 11.931 -1.888 4.458 1.00 0.00 C ATOM 909 O PRO A 57 12.319 -2.432 3.430 1.00 0.00 O ATOM 910 CB PRO A 57 10.364 -2.321 6.478 1.00 0.00 C ATOM 911 CG PRO A 57 10.232 -3.839 6.635 1.00 0.00 C ATOM 912 CD PRO A 57 9.577 -4.328 5.343 1.00 0.00 C ATOM 0 HA PRO A 57 9.990 -1.137 4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.242 -1.947 7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.499 -1.807 6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.207 -4.305 6.781 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.624 -4.092 7.503 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.988 -5.286 5.025 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.503 -4.468 5.468 1.00 0.00 H new TER 920 PRO A 57 HETATM 921 C ACE B 0 -6.433 -14.618 -8.236 1.00 0.00 C HETATM 922 O ACE B 0 -6.222 -13.421 -8.363 1.00 0.00 O HETATM 923 CH3 ACE B 0 -5.288 -15.616 -8.309 1.00 0.00 C HETATM 0 H1 ACE B 0 -5.226 -16.168 -7.371 1.00 0.00 H new HETATM 0 H2 ACE B 0 -5.464 -16.312 -9.129 1.00 0.00 H new HETATM 0 H3 ACE B 0 -4.352 -15.084 -8.479 1.00 0.00 H new ATOM 927 N VAL B 1 -7.640 -15.172 -7.974 1.00 0.00 N ATOM 928 CA VAL B 1 -8.815 -14.333 -7.726 1.00 0.00 C ATOM 929 C VAL B 1 -8.534 -13.405 -6.516 1.00 0.00 C ATOM 930 O VAL B 1 -8.326 -13.887 -5.410 1.00 0.00 O ATOM 931 CB VAL B 1 -10.064 -15.215 -7.504 1.00 0.00 C ATOM 932 CG1 VAL B 1 -9.902 -16.267 -6.395 1.00 0.00 C ATOM 933 CG2 VAL B 1 -11.319 -14.366 -7.250 1.00 0.00 C ATOM 0 H VAL B 1 -7.815 -16.176 -7.931 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.016 -13.706 -8.594 1.00 0.00 H new ATOM 0 HB VAL B 1 -10.186 -15.766 -8.437 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -10.822 -16.843 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -9.078 -16.936 -6.645 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -9.690 -15.769 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.177 -15.021 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -11.170 -13.752 -6.362 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -11.502 -13.721 -8.110 1.00 0.00 H new ATOM 943 N PRO B 2 -8.500 -12.058 -6.753 1.00 0.00 N ATOM 944 CA PRO B 2 -8.228 -11.114 -5.673 1.00 0.00 C ATOM 945 C PRO B 2 -9.072 -11.322 -4.362 1.00 0.00 C ATOM 946 O PRO B 2 -10.294 -11.380 -4.413 1.00 0.00 O ATOM 947 CB PRO B 2 -8.297 -9.747 -6.356 1.00 0.00 C ATOM 948 CG PRO B 2 -7.983 -10.015 -7.819 1.00 0.00 C ATOM 949 CD PRO B 2 -8.569 -11.400 -8.066 1.00 0.00 C ATOM 0 HA PRO B 2 -7.247 -11.261 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -9.284 -9.299 -6.241 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.579 -9.053 -5.920 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.436 -9.267 -8.469 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.910 -9.995 -8.009 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.595 -11.340 -8.428 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.998 -11.947 -8.816 1.00 0.00 H new ATOM 957 N PRO B 3 -8.352 -11.453 -3.193 1.00 0.00 N ATOM 958 CA PRO B 3 -8.911 -11.713 -1.852 1.00 0.00 C ATOM 959 C PRO B 3 -10.175 -10.962 -1.401 1.00 0.00 C ATOM 960 O PRO B 3 -10.577 -9.961 -1.965 1.00 0.00 O ATOM 961 CB PRO B 3 -7.765 -11.269 -0.915 1.00 0.00 C ATOM 962 CG PRO B 3 -6.493 -11.553 -1.692 1.00 0.00 C ATOM 963 CD PRO B 3 -6.891 -11.343 -3.147 1.00 0.00 C ATOM 0 HA PRO B 3 -9.237 -12.753 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.847 -10.211 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.786 -11.822 0.024 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.688 -10.880 -1.398 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.138 -12.569 -1.518 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.563 -10.366 -3.503 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.424 -12.090 -3.790 1.00 0.00 H new ATOM 971 N PRO B 4 -10.812 -11.486 -0.320 1.00 0.00 N ATOM 972 CA PRO B 4 -11.956 -10.802 0.271 1.00 0.00 C ATOM 973 C PRO B 4 -11.374 -9.636 1.072 1.00 0.00 C ATOM 974 O PRO B 4 -10.674 -9.789 2.067 1.00 0.00 O ATOM 975 CB PRO B 4 -12.578 -11.856 1.192 1.00 0.00 C ATOM 976 CG PRO B 4 -11.423 -12.803 1.540 1.00 0.00 C ATOM 977 CD PRO B 4 -10.500 -12.759 0.321 1.00 0.00 C ATOM 0 HA PRO B 4 -12.696 -10.417 -0.431 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -12.999 -11.400 2.088 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.389 -12.387 0.694 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -10.903 -12.478 2.441 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -11.784 -13.815 1.727 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.451 -12.811 0.614 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.686 -13.598 -0.349 1.00 0.00 H new ATOM 985 N VAL B 5 -11.703 -8.464 0.517 1.00 0.00 N ATOM 986 CA VAL B 5 -11.242 -7.212 1.073 1.00 0.00 C ATOM 987 C VAL B 5 -11.872 -7.005 2.471 1.00 0.00 C ATOM 988 O VAL B 5 -13.042 -7.317 2.661 1.00 0.00 O ATOM 989 CB VAL B 5 -11.582 -6.070 0.129 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.635 -4.883 0.346 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.618 -6.366 -1.375 1.00 0.00 C ATOM 0 H VAL B 5 -12.286 -8.369 -0.315 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.158 -7.233 1.190 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.614 -5.855 0.405 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.897 -4.078 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.725 -4.528 1.373 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.608 -5.198 0.160 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.874 -5.457 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.639 -6.720 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.366 -7.132 -1.577 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.078 -6.485 3.450 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.613 -6.232 4.789 1.00 0.00 C ATOM 1003 C PRO B 6 -12.805 -5.252 4.774 1.00 0.00 C ATOM 1004 O PRO B 6 -12.992 -4.497 3.827 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.436 -5.588 5.544 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.179 -5.959 4.760 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.658 -6.156 3.323 1.00 0.00 C ATOM 0 HA PRO B 6 -11.986 -7.151 5.242 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.555 -4.506 5.602 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.380 -5.957 6.568 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.428 -5.172 4.822 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.722 -6.867 5.152 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.512 -5.254 2.729 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.108 -6.956 2.828 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.625 -5.296 5.850 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.748 -4.371 5.964 1.00 0.00 C ATOM 1017 C PRO B 7 -14.207 -2.979 6.348 1.00 0.00 C ATOM 1018 O PRO B 7 -13.695 -2.774 7.442 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.578 -4.958 7.111 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.580 -5.771 7.946 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.544 -6.265 6.936 1.00 0.00 C ATOM 0 HA PRO B 7 -15.326 -4.257 5.047 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -16.042 -4.171 7.706 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.383 -5.589 6.733 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.118 -5.158 8.720 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.071 -6.604 8.450 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.545 -6.296 7.371 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.772 -7.273 6.590 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.344 -2.044 5.382 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.872 -0.681 5.621 1.00 0.00 C ATOM 1031 C ARG B 8 -15.014 0.094 6.286 1.00 0.00 C ATOM 1032 O ARG B 8 -16.008 0.454 5.667 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.465 0.013 4.318 1.00 0.00 C ATOM 1034 CG ARG B 8 -12.561 1.230 4.587 1.00 0.00 C ATOM 1035 CD ARG B 8 -12.231 2.053 3.338 1.00 0.00 C ATOM 1036 NE ARG B 8 -13.449 2.596 2.747 1.00 0.00 N ATOM 1037 CZ ARG B 8 -14.100 3.676 3.224 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -13.643 4.356 4.269 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -15.220 4.065 2.635 1.00 0.00 N ATOM 0 H ARG B 8 -14.762 -2.207 4.466 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.989 -0.711 6.259 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.942 -0.695 3.675 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -14.358 0.333 3.780 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.048 1.877 5.317 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -11.631 0.885 5.038 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -11.553 2.866 3.599 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -11.714 1.428 2.610 1.00 0.00 H new ATOM 0 HE ARG B 8 -13.831 2.131 1.924 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -12.781 4.064 4.730 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -14.154 5.170 4.611 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -15.579 3.549 1.832 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -15.724 4.880 2.985 1.00 0.00 H new ATOM 1053 N ARG B 9 -14.790 0.296 7.591 1.00 0.00 N ATOM 1054 CA ARG B 9 -15.713 0.990 8.458 1.00 0.00 C ATOM 1055 C ARG B 9 -14.899 1.729 9.523 1.00 0.00 C ATOM 1056 O ARG B 9 -15.113 1.586 10.721 1.00 0.00 O ATOM 1057 CB ARG B 9 -16.719 0.006 9.091 1.00 0.00 C ATOM 1058 CG ARG B 9 -17.697 -0.654 8.106 1.00 0.00 C ATOM 1059 CD ARG B 9 -18.715 0.338 7.534 1.00 0.00 C ATOM 1060 NE ARG B 9 -19.629 -0.363 6.638 1.00 0.00 N ATOM 1061 CZ ARG B 9 -20.751 0.208 6.151 1.00 0.00 C ATOM 1062 NH1 ARG B 9 -21.099 1.441 6.498 1.00 0.00 N ATOM 1063 NH2 ARG B 9 -21.517 -0.475 5.312 1.00 0.00 N ATOM 0 H ARG B 9 -13.948 -0.027 8.067 1.00 0.00 H new ATOM 0 HA ARG B 9 -16.300 1.709 7.886 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -16.162 -0.777 9.605 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -17.295 0.537 9.849 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -17.135 -1.104 7.288 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -18.226 -1.462 8.611 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -19.273 0.810 8.343 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -18.200 1.134 6.995 1.00 0.00 H new ATOM 0 HE ARG B 9 -19.411 -1.323 6.369 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -20.515 1.973 7.143 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -21.950 1.856 6.120 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -21.257 -1.423 5.040 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -22.367 -0.053 4.938 1.00 0.00 H new ATOM 1077 N ARG B 10 -13.948 2.535 9.004 1.00 0.00 N ATOM 1078 CA ARG B 10 -13.078 3.311 9.865 1.00 0.00 C ATOM 1079 C ARG B 10 -13.825 4.570 10.346 1.00 0.00 C ATOM 1080 O ARG B 10 -13.865 5.592 9.673 1.00 0.00 O ATOM 1081 CB ARG B 10 -11.821 3.674 9.061 1.00 0.00 C ATOM 1082 CG ARG B 10 -10.779 4.422 9.895 1.00 0.00 C ATOM 1083 CD ARG B 10 -10.064 3.511 10.894 1.00 0.00 C ATOM 1084 NE ARG B 10 -9.392 4.317 11.913 1.00 0.00 N ATOM 1085 CZ ARG B 10 -9.524 4.141 13.248 1.00 0.00 C ATOM 1086 NH1 ARG B 10 -10.352 3.236 13.759 1.00 0.00 N ATOM 1087 NH2 ARG B 10 -8.793 4.882 14.070 1.00 0.00 N ATOM 0 H ARG B 10 -13.777 2.654 8.005 1.00 0.00 H new ATOM 0 HA ARG B 10 -12.786 2.743 10.748 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -11.375 2.763 8.662 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -12.106 4.289 8.208 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -10.043 4.875 9.230 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -11.265 5.235 10.434 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -10.782 2.839 11.365 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -9.337 2.887 10.374 1.00 0.00 H new ATOM 0 HE ARG B 10 -8.779 5.067 11.594 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -10.911 2.649 13.140 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -10.428 3.128 14.770 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -8.143 5.572 13.693 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -8.881 4.762 15.079 1.00 0.00 H new HETATM 1101 N NH2 B 11 -14.400 4.430 11.549 1.00 0.00 N TER 1104 NH2 B 11