USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.167 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.00028) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 13 CYS SG : rot 4:sc= -1.56! USER MOD Single : A 16 SER OG : rot 180:sc=-0.00151 USER MOD Single : A 17 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 18 TYR OH : rot 154:sc= 0.34 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= 1.87 (180deg=0.729) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= 0.859 (180deg=-0.169!) USER MOD Single : A 33 TYR OH : rot -133:sc= 1.51 USER MOD Single : A 36 THR OG1 : rot -31:sc= 0.512 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= 1.26 (180deg=1.07) USER MOD Single : A 49 SER OG : rot -150:sc= -2.27! USER MOD Single : A 50 MET CE :methyl -178:sc= -0.902 (180deg=-0.962) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -146:sc= -0.105 (180deg=-2.68!) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 64 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 65 HIS :FLIP no HE2:sc= -0.574 F(o=-2.7!,f=-0.57) USER MOD Single : A 77 SER OG : rot -44:sc= 1.07 USER MOD Single : A 78 THR OG1 : rot 83:sc= 0.901 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0437 F(o=-0.63,f=-0.044) USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= -0.0378 (180deg=-0.401) USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0463 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.053 -14.116 24.756 1.00 0.00 N ATOM 2 CA GLY A 1 -0.327 -12.978 25.619 1.00 0.00 C ATOM 3 C GLY A 1 -1.510 -12.224 25.130 1.00 0.00 C ATOM 4 O GLY A 1 -2.242 -12.711 24.259 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.045 -14.988 25.323 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.791 -14.184 24.026 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.874 -13.991 24.301 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.504 -13.322 26.638 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.542 -12.321 25.651 1.00 0.00 H new ATOM 10 N HIS A 2 -1.737 -11.059 25.679 1.00 0.00 N ATOM 11 CA HIS A 2 -2.829 -10.228 25.234 1.00 0.00 C ATOM 12 C HIS A 2 -2.463 -9.596 23.914 1.00 0.00 C ATOM 13 O HIS A 2 -1.400 -8.964 23.785 1.00 0.00 O ATOM 14 CB HIS A 2 -3.180 -9.152 26.268 1.00 0.00 C ATOM 15 CG HIS A 2 -3.641 -9.705 27.580 1.00 0.00 C ATOM 16 ND1 HIS A 2 -2.937 -9.590 28.751 1.00 0.00 N ATOM 17 CD2 HIS A 2 -4.768 -10.378 27.890 1.00 0.00 C ATOM 18 CE1 HIS A 2 -3.634 -10.180 29.716 1.00 0.00 C ATOM 19 NE2 HIS A 2 -4.762 -10.680 29.247 1.00 0.00 N ATOM 0 H HIS A 2 -1.180 -10.662 26.436 1.00 0.00 H new ATOM 0 HA HIS A 2 -3.713 -10.853 25.110 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -2.306 -8.523 26.436 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -3.961 -8.510 25.860 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -5.551 -10.641 27.194 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -3.319 -10.242 30.747 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -5.479 -11.183 29.770 1.00 0.00 H new ATOM 27 N MET A 3 -3.302 -9.797 22.934 1.00 0.00 N ATOM 28 CA MET A 3 -3.077 -9.269 21.616 1.00 0.00 C ATOM 29 C MET A 3 -3.643 -7.880 21.502 1.00 0.00 C ATOM 30 O MET A 3 -4.852 -7.684 21.566 1.00 0.00 O ATOM 31 CB MET A 3 -3.689 -10.176 20.537 1.00 0.00 C ATOM 32 CG MET A 3 -2.993 -11.510 20.367 1.00 0.00 C ATOM 33 SD MET A 3 -1.300 -11.320 19.772 1.00 0.00 S ATOM 34 CE MET A 3 -0.786 -13.028 19.676 1.00 0.00 C ATOM 0 H MET A 3 -4.164 -10.334 23.028 1.00 0.00 H new ATOM 0 HA MET A 3 -2.000 -9.230 21.455 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.736 -10.356 20.783 1.00 0.00 H new ATOM 0 HB3 MET A 3 -3.671 -9.648 19.584 1.00 0.00 H new ATOM 0 HG2 MET A 3 -2.985 -12.038 21.320 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.556 -12.126 19.666 1.00 0.00 H new ATOM 0 HE1 MET A 3 0.244 -13.079 19.322 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.853 -13.484 20.664 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.434 -13.565 18.984 1.00 0.00 H new ATOM 44 N LEU A 4 -2.773 -6.912 21.377 1.00 0.00 N ATOM 45 CA LEU A 4 -3.196 -5.534 21.179 1.00 0.00 C ATOM 46 C LEU A 4 -3.220 -5.221 19.699 1.00 0.00 C ATOM 47 O LEU A 4 -3.570 -4.115 19.278 1.00 0.00 O ATOM 48 CB LEU A 4 -2.295 -4.519 21.926 1.00 0.00 C ATOM 49 CG LEU A 4 -2.417 -4.445 23.466 1.00 0.00 C ATOM 50 CD1 LEU A 4 -1.921 -5.706 24.151 1.00 0.00 C ATOM 51 CD2 LEU A 4 -1.685 -3.224 23.996 1.00 0.00 C ATOM 0 H LEU A 4 -1.762 -7.044 21.408 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.197 -5.435 21.600 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.258 -4.749 21.683 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.504 -3.527 21.525 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.478 -4.356 23.700 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.029 -5.600 25.230 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.506 -6.560 23.809 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.871 -5.864 23.906 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.780 -3.186 25.081 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.631 -3.286 23.726 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.118 -2.323 23.562 1.00 0.00 H new ATOM 63 N ARG A 5 -2.877 -6.203 18.918 1.00 0.00 N ATOM 64 CA ARG A 5 -2.825 -6.075 17.502 1.00 0.00 C ATOM 65 C ARG A 5 -3.407 -7.336 16.890 1.00 0.00 C ATOM 66 O ARG A 5 -3.091 -8.449 17.347 1.00 0.00 O ATOM 67 CB ARG A 5 -1.361 -5.891 17.062 1.00 0.00 C ATOM 68 CG ARG A 5 -1.163 -5.658 15.570 1.00 0.00 C ATOM 69 CD ARG A 5 -1.812 -4.364 15.116 1.00 0.00 C ATOM 70 NE ARG A 5 -1.199 -3.181 15.740 1.00 0.00 N ATOM 71 CZ ARG A 5 -1.829 -2.023 16.003 1.00 0.00 C ATOM 72 NH1 ARG A 5 -3.145 -1.912 15.835 1.00 0.00 N ATOM 73 NH2 ARG A 5 -1.135 -0.996 16.471 1.00 0.00 N ATOM 0 H ARG A 5 -2.622 -7.130 19.259 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.399 -5.209 17.171 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.937 -5.047 17.606 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.795 -6.775 17.355 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.097 -5.630 15.344 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.586 -6.493 15.011 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.733 -4.282 14.032 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.875 -4.389 15.357 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.213 -3.245 15.994 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.686 -2.711 15.504 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.612 -1.028 16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.131 -1.088 16.629 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.604 -0.113 16.674 1.00 0.00 H new ATOM 87 N THR A 6 -4.280 -7.176 15.923 1.00 0.00 N ATOM 88 CA THR A 6 -4.823 -8.306 15.216 1.00 0.00 C ATOM 89 C THR A 6 -3.759 -8.845 14.250 1.00 0.00 C ATOM 90 O THR A 6 -2.776 -8.148 13.937 1.00 0.00 O ATOM 91 CB THR A 6 -6.131 -7.936 14.432 1.00 0.00 C ATOM 92 OG1 THR A 6 -6.696 -9.115 13.823 1.00 0.00 O ATOM 93 CG2 THR A 6 -5.848 -6.908 13.339 1.00 0.00 C ATOM 0 H THR A 6 -4.629 -6.270 15.609 1.00 0.00 H new ATOM 0 HA THR A 6 -5.094 -9.071 15.944 1.00 0.00 H new ATOM 0 HB THR A 6 -6.834 -7.510 15.148 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.512 -8.873 13.338 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.773 -6.672 12.813 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.444 -6.001 13.788 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.124 -7.317 12.634 1.00 0.00 H new ATOM 101 N ALA A 7 -3.937 -10.067 13.801 1.00 0.00 N ATOM 102 CA ALA A 7 -3.027 -10.655 12.850 1.00 0.00 C ATOM 103 C ALA A 7 -3.262 -10.039 11.482 1.00 0.00 C ATOM 104 O ALA A 7 -2.351 -9.963 10.661 1.00 0.00 O ATOM 105 CB ALA A 7 -3.197 -12.161 12.801 1.00 0.00 C ATOM 0 H ALA A 7 -4.708 -10.673 14.082 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.003 -10.450 13.162 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.500 -12.582 12.077 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.996 -12.582 13.786 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.218 -12.402 12.505 1.00 0.00 H new ATOM 111 N GLY A 8 -4.499 -9.592 11.258 1.00 0.00 N ATOM 112 CA GLY A 8 -4.873 -8.924 10.028 1.00 0.00 C ATOM 113 C GLY A 8 -4.937 -9.858 8.842 1.00 0.00 C ATOM 114 O GLY A 8 -6.036 -10.231 8.397 1.00 0.00 O ATOM 0 H GLY A 8 -5.262 -9.687 11.928 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.845 -8.448 10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.155 -8.131 9.820 1.00 0.00 H new ATOM 118 N ARG A 9 -3.753 -10.218 8.332 1.00 0.00 N ATOM 119 CA ARG A 9 -3.529 -11.118 7.180 1.00 0.00 C ATOM 120 C ARG A 9 -3.927 -10.451 5.852 1.00 0.00 C ATOM 121 O ARG A 9 -3.199 -10.536 4.854 1.00 0.00 O ATOM 122 CB ARG A 9 -4.271 -12.442 7.363 1.00 0.00 C ATOM 123 CG ARG A 9 -3.837 -13.549 6.421 1.00 0.00 C ATOM 124 CD ARG A 9 -4.740 -14.761 6.558 1.00 0.00 C ATOM 125 NE ARG A 9 -4.975 -15.132 7.962 1.00 0.00 N ATOM 126 CZ ARG A 9 -5.179 -16.368 8.413 1.00 0.00 C ATOM 127 NH1 ARG A 9 -5.069 -17.416 7.592 1.00 0.00 N ATOM 128 NH2 ARG A 9 -5.491 -16.551 9.683 1.00 0.00 N ATOM 0 H ARG A 9 -2.877 -9.876 8.727 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.460 -11.328 7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.132 -12.782 8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.338 -12.266 7.228 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.860 -13.187 5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.807 -13.832 6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.695 -14.555 6.075 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.293 -15.605 6.032 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.982 -14.378 8.649 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.827 -17.273 6.612 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.227 -18.360 7.946 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.574 -15.750 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.649 -17.494 10.039 1.00 0.00 H new ATOM 142 N ASP A 10 -5.060 -9.765 5.881 1.00 0.00 N ATOM 143 CA ASP A 10 -5.637 -9.063 4.737 1.00 0.00 C ATOM 144 C ASP A 10 -4.642 -8.066 4.176 1.00 0.00 C ATOM 145 O ASP A 10 -4.468 -7.962 2.961 1.00 0.00 O ATOM 146 CB ASP A 10 -6.916 -8.340 5.175 1.00 0.00 C ATOM 147 CG ASP A 10 -7.655 -7.654 4.040 1.00 0.00 C ATOM 148 OD1 ASP A 10 -7.408 -6.473 3.778 1.00 0.00 O ATOM 149 OD2 ASP A 10 -8.559 -8.283 3.434 1.00 0.00 O ATOM 0 H ASP A 10 -5.623 -9.677 6.727 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.879 -9.786 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.584 -9.059 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.661 -7.597 5.931 1.00 0.00 H new ATOM 154 N GLY A 11 -3.941 -7.386 5.075 1.00 0.00 N ATOM 155 CA GLY A 11 -2.941 -6.417 4.701 1.00 0.00 C ATOM 156 C GLY A 11 -1.736 -6.990 3.952 1.00 0.00 C ATOM 157 O GLY A 11 -0.881 -6.245 3.518 1.00 0.00 O ATOM 0 H GLY A 11 -4.056 -7.497 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.409 -5.656 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.586 -5.917 5.602 1.00 0.00 H new ATOM 161 N LEU A 12 -1.658 -8.303 3.820 1.00 0.00 N ATOM 162 CA LEU A 12 -0.585 -8.927 3.058 1.00 0.00 C ATOM 163 C LEU A 12 -1.109 -9.377 1.698 1.00 0.00 C ATOM 164 O LEU A 12 -0.541 -9.042 0.653 1.00 0.00 O ATOM 165 CB LEU A 12 0.014 -10.123 3.823 1.00 0.00 C ATOM 166 CG LEU A 12 1.143 -10.909 3.114 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.327 -10.008 2.765 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.604 -12.073 3.980 1.00 0.00 C ATOM 0 H LEU A 12 -2.323 -8.959 4.229 1.00 0.00 H new ATOM 0 HA LEU A 12 0.206 -8.192 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.400 -9.759 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.793 -10.819 4.051 1.00 0.00 H new ATOM 0 HG LEU A 12 0.736 -11.298 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.098 -10.597 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.994 -9.211 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.734 -9.572 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.398 -12.616 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.979 -11.693 4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.765 -12.745 4.163 1.00 0.00 H new ATOM 180 N CYS A 13 -2.216 -10.086 1.710 1.00 0.00 N ATOM 181 CA CYS A 13 -2.787 -10.630 0.493 1.00 0.00 C ATOM 182 C CYS A 13 -3.382 -9.533 -0.398 1.00 0.00 C ATOM 183 O CYS A 13 -3.189 -9.528 -1.637 1.00 0.00 O ATOM 184 CB CYS A 13 -3.805 -11.719 0.837 1.00 0.00 C ATOM 185 SG CYS A 13 -5.077 -11.205 2.018 1.00 0.00 S ATOM 0 H CYS A 13 -2.744 -10.302 2.556 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.989 -11.088 -0.091 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.291 -12.049 -0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.275 -12.580 1.244 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.920 -9.947 2.305 1.00 0.00 H new ATOM 191 N ARG A 14 -4.047 -8.563 0.226 1.00 0.00 N ATOM 192 CA ARG A 14 -4.636 -7.460 -0.514 1.00 0.00 C ATOM 193 C ARG A 14 -3.519 -6.571 -1.048 1.00 0.00 C ATOM 194 O ARG A 14 -3.609 -6.012 -2.136 1.00 0.00 O ATOM 195 CB ARG A 14 -5.574 -6.628 0.380 1.00 0.00 C ATOM 196 CG ARG A 14 -6.425 -5.651 -0.404 1.00 0.00 C ATOM 197 CD ARG A 14 -7.165 -4.649 0.468 1.00 0.00 C ATOM 198 NE ARG A 14 -8.052 -5.262 1.448 1.00 0.00 N ATOM 199 CZ ARG A 14 -9.336 -4.951 1.631 1.00 0.00 C ATOM 200 NH1 ARG A 14 -9.971 -4.111 0.798 1.00 0.00 N ATOM 201 NH2 ARG A 14 -9.998 -5.511 2.634 1.00 0.00 N ATOM 0 H ARG A 14 -4.188 -8.522 1.235 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.225 -7.865 -1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.224 -7.300 0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.979 -6.079 1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.789 -5.110 -1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.150 -6.209 -0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.437 -4.028 0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.748 -3.987 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.658 -5.990 2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.471 -3.699 0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.953 -3.884 0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.525 -6.170 3.253 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.980 -5.283 2.787 1.00 0.00 H new ATOM 215 N LEU A 15 -2.444 -6.519 -0.293 1.00 0.00 N ATOM 216 CA LEU A 15 -1.291 -5.705 -0.585 1.00 0.00 C ATOM 217 C LEU A 15 -0.666 -6.085 -1.925 1.00 0.00 C ATOM 218 O LEU A 15 -0.527 -5.233 -2.808 1.00 0.00 O ATOM 219 CB LEU A 15 -0.294 -5.854 0.560 1.00 0.00 C ATOM 220 CG LEU A 15 1.008 -5.075 0.485 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.732 -3.623 0.290 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.792 -5.268 1.762 1.00 0.00 C ATOM 0 H LEU A 15 -2.348 -7.060 0.567 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.592 -4.661 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.801 -5.568 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.045 -6.911 0.649 1.00 0.00 H new ATOM 0 HG LEU A 15 1.588 -5.444 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.674 -3.077 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.178 -3.479 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.142 -3.249 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.725 -4.708 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.205 -4.909 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.012 -6.327 1.897 1.00 0.00 H new ATOM 234 N SER A 16 -0.346 -7.363 -2.092 1.00 0.00 N ATOM 235 CA SER A 16 0.249 -7.843 -3.333 1.00 0.00 C ATOM 236 C SER A 16 -0.721 -7.613 -4.504 1.00 0.00 C ATOM 237 O SER A 16 -0.311 -7.185 -5.591 1.00 0.00 O ATOM 238 CB SER A 16 0.627 -9.332 -3.209 1.00 0.00 C ATOM 239 OG SER A 16 1.282 -9.807 -4.379 1.00 0.00 O ATOM 0 H SER A 16 -0.488 -8.084 -1.385 1.00 0.00 H new ATOM 0 HA SER A 16 1.163 -7.282 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.277 -9.472 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.272 -9.922 -3.030 1.00 0.00 H new ATOM 0 HG SER A 16 1.509 -10.754 -4.265 1.00 0.00 H new ATOM 245 N THR A 17 -2.008 -7.828 -4.239 1.00 0.00 N ATOM 246 CA THR A 17 -3.061 -7.651 -5.225 1.00 0.00 C ATOM 247 C THR A 17 -3.073 -6.196 -5.786 1.00 0.00 C ATOM 248 O THR A 17 -3.217 -5.982 -6.994 1.00 0.00 O ATOM 249 CB THR A 17 -4.444 -8.010 -4.599 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.425 -9.375 -4.106 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.571 -7.862 -5.617 1.00 0.00 C ATOM 0 H THR A 17 -2.347 -8.132 -3.326 1.00 0.00 H new ATOM 0 HA THR A 17 -2.864 -8.324 -6.059 1.00 0.00 H new ATOM 0 HB THR A 17 -4.626 -7.318 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.926 -9.412 -3.264 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.521 -8.120 -5.148 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.609 -6.832 -5.971 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.390 -8.529 -6.460 1.00 0.00 H new ATOM 259 N TYR A 18 -2.877 -5.219 -4.918 1.00 0.00 N ATOM 260 CA TYR A 18 -2.883 -3.820 -5.333 1.00 0.00 C ATOM 261 C TYR A 18 -1.553 -3.380 -5.898 1.00 0.00 C ATOM 262 O TYR A 18 -1.504 -2.568 -6.810 1.00 0.00 O ATOM 263 CB TYR A 18 -3.335 -2.899 -4.206 1.00 0.00 C ATOM 264 CG TYR A 18 -4.823 -2.939 -3.958 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.443 -4.094 -3.538 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.602 -1.817 -4.144 1.00 0.00 C ATOM 267 CE1 TYR A 18 -6.792 -4.138 -3.313 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.955 -1.854 -3.917 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.545 -3.019 -3.501 1.00 0.00 C ATOM 270 OH TYR A 18 -8.895 -3.065 -3.272 1.00 0.00 O ATOM 0 H TYR A 18 -2.712 -5.364 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.612 -3.742 -6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.814 -3.176 -3.290 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.041 -1.876 -4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.852 -4.985 -3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.142 -0.897 -4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.258 -5.057 -2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.553 -0.967 -4.066 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.218 -2.169 -3.040 1.00 0.00 H new ATOM 280 N LEU A 19 -0.475 -3.933 -5.393 1.00 0.00 N ATOM 281 CA LEU A 19 0.845 -3.594 -5.903 1.00 0.00 C ATOM 282 C LEU A 19 1.043 -4.118 -7.335 1.00 0.00 C ATOM 283 O LEU A 19 1.876 -3.617 -8.083 1.00 0.00 O ATOM 284 CB LEU A 19 1.943 -4.044 -4.936 1.00 0.00 C ATOM 285 CG LEU A 19 2.014 -3.266 -3.603 1.00 0.00 C ATOM 286 CD1 LEU A 19 3.013 -3.912 -2.666 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.408 -1.814 -3.861 1.00 0.00 C ATOM 0 H LEU A 19 -0.479 -4.615 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 19 0.921 -2.509 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.796 -5.101 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.905 -3.956 -5.440 1.00 0.00 H new ATOM 0 HG LEU A 19 1.029 -3.290 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.051 -3.352 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.709 -4.938 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.000 -3.912 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.455 -1.276 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.384 -1.782 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.667 -1.345 -4.508 1.00 0.00 H new ATOM 299 N GLU A 20 0.227 -5.107 -7.712 1.00 0.00 N ATOM 300 CA GLU A 20 0.157 -5.609 -9.089 1.00 0.00 C ATOM 301 C GLU A 20 -0.405 -4.548 -10.033 1.00 0.00 C ATOM 302 O GLU A 20 -0.220 -4.613 -11.242 1.00 0.00 O ATOM 303 CB GLU A 20 -0.721 -6.855 -9.167 1.00 0.00 C ATOM 304 CG GLU A 20 -0.034 -8.143 -8.775 1.00 0.00 C ATOM 305 CD GLU A 20 1.034 -8.522 -9.766 1.00 0.00 C ATOM 306 OE1 GLU A 20 0.708 -8.726 -10.958 1.00 0.00 O ATOM 307 OE2 GLU A 20 2.211 -8.669 -9.376 1.00 0.00 O ATOM 0 H GLU A 20 -0.406 -5.584 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 20 1.173 -5.859 -9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.588 -6.712 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.095 -6.955 -10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.409 -8.034 -7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.770 -8.944 -8.708 1.00 0.00 H new ATOM 314 N GLU A 21 -1.082 -3.566 -9.476 1.00 0.00 N ATOM 315 CA GLU A 21 -1.668 -2.507 -10.268 1.00 0.00 C ATOM 316 C GLU A 21 -0.719 -1.323 -10.357 1.00 0.00 C ATOM 317 O GLU A 21 -1.115 -0.213 -10.758 1.00 0.00 O ATOM 318 CB GLU A 21 -3.015 -2.066 -9.693 1.00 0.00 C ATOM 319 CG GLU A 21 -4.061 -3.166 -9.641 1.00 0.00 C ATOM 320 CD GLU A 21 -4.301 -3.800 -10.990 1.00 0.00 C ATOM 321 OE1 GLU A 21 -4.941 -3.174 -11.860 1.00 0.00 O ATOM 322 OE2 GLU A 21 -3.875 -4.945 -11.197 1.00 0.00 O ATOM 0 H GLU A 21 -1.240 -3.480 -8.472 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.841 -2.896 -11.272 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.858 -1.681 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.401 -1.242 -10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.743 -3.932 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.998 -2.755 -9.265 1.00 0.00 H new ATOM 329 N LEU A 22 0.515 -1.545 -9.970 1.00 0.00 N ATOM 330 CA LEU A 22 1.525 -0.539 -10.076 1.00 0.00 C ATOM 331 C LEU A 22 2.558 -0.952 -11.104 1.00 0.00 C ATOM 332 O LEU A 22 3.058 -2.079 -11.083 1.00 0.00 O ATOM 333 CB LEU A 22 2.219 -0.252 -8.730 1.00 0.00 C ATOM 334 CG LEU A 22 1.368 0.317 -7.594 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.265 0.736 -6.447 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.523 1.492 -8.057 1.00 0.00 C ATOM 0 H LEU A 22 0.839 -2.428 -9.575 1.00 0.00 H new ATOM 0 HA LEU A 22 1.030 0.380 -10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.666 -1.182 -8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.036 0.444 -8.917 1.00 0.00 H new ATOM 0 HG LEU A 22 0.685 -0.464 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.657 1.141 -5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.820 -0.129 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.964 1.498 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.067 1.868 -7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.173 2.284 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.145 1.168 -8.855 1.00 0.00 H new ATOM 348 N GLU A 23 2.849 -0.047 -12.012 1.00 0.00 N ATOM 349 CA GLU A 23 3.875 -0.246 -13.024 1.00 0.00 C ATOM 350 C GLU A 23 5.244 -0.139 -12.361 1.00 0.00 C ATOM 351 O GLU A 23 5.332 0.247 -11.192 1.00 0.00 O ATOM 352 CB GLU A 23 3.774 0.854 -14.086 1.00 0.00 C ATOM 353 CG GLU A 23 2.429 0.970 -14.777 1.00 0.00 C ATOM 354 CD GLU A 23 2.094 -0.242 -15.616 1.00 0.00 C ATOM 355 OE1 GLU A 23 1.648 -1.264 -15.066 1.00 0.00 O ATOM 356 OE2 GLU A 23 2.288 -0.199 -16.852 1.00 0.00 O ATOM 0 H GLU A 23 2.379 0.856 -12.073 1.00 0.00 H new ATOM 0 HA GLU A 23 3.741 -1.224 -13.486 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.006 1.810 -13.617 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.538 0.676 -14.843 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.651 1.113 -14.027 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.427 1.857 -15.411 1.00 0.00 H new ATOM 363 N ALA A 24 6.302 -0.416 -13.113 1.00 0.00 N ATOM 364 CA ALA A 24 7.670 -0.308 -12.603 1.00 0.00 C ATOM 365 C ALA A 24 7.937 1.107 -12.100 1.00 0.00 C ATOM 366 O ALA A 24 8.530 1.295 -11.037 1.00 0.00 O ATOM 367 CB ALA A 24 8.679 -0.689 -13.674 1.00 0.00 C ATOM 0 H ALA A 24 6.241 -0.719 -14.085 1.00 0.00 H new ATOM 0 HA ALA A 24 7.780 -1.003 -11.770 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.688 -0.601 -13.271 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.503 -1.717 -13.990 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.570 -0.023 -14.530 1.00 0.00 H new ATOM 373 N VAL A 25 7.445 2.090 -12.849 1.00 0.00 N ATOM 374 CA VAL A 25 7.568 3.499 -12.483 1.00 0.00 C ATOM 375 C VAL A 25 6.788 3.801 -11.186 1.00 0.00 C ATOM 376 O VAL A 25 7.257 4.537 -10.324 1.00 0.00 O ATOM 377 CB VAL A 25 7.079 4.435 -13.644 1.00 0.00 C ATOM 378 CG1 VAL A 25 5.635 4.169 -14.000 1.00 0.00 C ATOM 379 CG2 VAL A 25 7.240 5.894 -13.284 1.00 0.00 C ATOM 0 H VAL A 25 6.950 1.933 -13.727 1.00 0.00 H new ATOM 0 HA VAL A 25 8.625 3.701 -12.307 1.00 0.00 H new ATOM 0 HB VAL A 25 7.705 4.211 -14.508 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.331 4.835 -14.807 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.525 3.134 -14.323 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.007 4.346 -13.127 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.892 6.513 -14.111 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.654 6.116 -12.392 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.291 6.107 -13.089 1.00 0.00 H new ATOM 389 N GLU A 26 5.638 3.173 -11.037 1.00 0.00 N ATOM 390 CA GLU A 26 4.787 3.399 -9.897 1.00 0.00 C ATOM 391 C GLU A 26 5.427 2.791 -8.659 1.00 0.00 C ATOM 392 O GLU A 26 5.482 3.423 -7.611 1.00 0.00 O ATOM 393 CB GLU A 26 3.409 2.806 -10.142 1.00 0.00 C ATOM 394 CG GLU A 26 2.699 3.319 -11.392 1.00 0.00 C ATOM 395 CD GLU A 26 2.405 4.793 -11.363 1.00 0.00 C ATOM 396 OE1 GLU A 26 1.400 5.199 -10.775 1.00 0.00 O ATOM 397 OE2 GLU A 26 3.164 5.569 -11.939 1.00 0.00 O ATOM 0 H GLU A 26 5.272 2.494 -11.704 1.00 0.00 H new ATOM 0 HA GLU A 26 4.668 4.471 -9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.504 1.723 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.781 3.013 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.314 3.098 -12.264 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.763 2.774 -11.516 1.00 0.00 H new ATOM 404 N LEU A 27 5.951 1.579 -8.819 1.00 0.00 N ATOM 405 CA LEU A 27 6.668 0.875 -7.757 1.00 0.00 C ATOM 406 C LEU A 27 7.912 1.662 -7.357 1.00 0.00 C ATOM 407 O LEU A 27 8.262 1.750 -6.182 1.00 0.00 O ATOM 408 CB LEU A 27 7.070 -0.531 -8.228 1.00 0.00 C ATOM 409 CG LEU A 27 5.926 -1.510 -8.537 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.475 -2.787 -9.150 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.144 -1.838 -7.272 1.00 0.00 C ATOM 0 H LEU A 27 5.891 1.055 -9.692 1.00 0.00 H new ATOM 0 HA LEU A 27 6.010 0.783 -6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.681 -0.428 -9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.703 -0.978 -7.462 1.00 0.00 H new ATOM 0 HG LEU A 27 5.253 -1.034 -9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.653 -3.471 -9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.000 -2.550 -10.076 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.167 -3.258 -8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.339 -2.532 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.811 -2.294 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.722 -0.922 -6.857 1.00 0.00 H new ATOM 423 N LYS A 28 8.551 2.256 -8.352 1.00 0.00 N ATOM 424 CA LYS A 28 9.739 3.075 -8.171 1.00 0.00 C ATOM 425 C LYS A 28 9.422 4.273 -7.267 1.00 0.00 C ATOM 426 O LYS A 28 10.184 4.600 -6.351 1.00 0.00 O ATOM 427 CB LYS A 28 10.231 3.540 -9.546 1.00 0.00 C ATOM 428 CG LYS A 28 11.507 4.354 -9.563 1.00 0.00 C ATOM 429 CD LYS A 28 11.865 4.714 -10.993 1.00 0.00 C ATOM 430 CE LYS A 28 13.167 5.475 -11.081 1.00 0.00 C ATOM 431 NZ LYS A 28 13.556 5.733 -12.486 1.00 0.00 N ATOM 0 H LYS A 28 8.254 2.181 -9.325 1.00 0.00 H new ATOM 0 HA LYS A 28 10.524 2.493 -7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.379 2.660 -10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.442 4.132 -10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.380 5.260 -8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.318 3.786 -9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.937 3.803 -11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.065 5.315 -11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.072 6.422 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.954 4.908 -10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.454 6.257 -12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.671 4.828 -12.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.816 6.295 -12.953 1.00 0.00 H new ATOM 445 N LYS A 29 8.278 4.890 -7.513 1.00 0.00 N ATOM 446 CA LYS A 29 7.824 6.032 -6.730 1.00 0.00 C ATOM 447 C LYS A 29 7.450 5.582 -5.340 1.00 0.00 C ATOM 448 O LYS A 29 7.824 6.192 -4.349 1.00 0.00 O ATOM 449 CB LYS A 29 6.611 6.666 -7.381 1.00 0.00 C ATOM 450 CG LYS A 29 6.876 7.199 -8.789 1.00 0.00 C ATOM 451 CD LYS A 29 5.696 7.965 -9.353 1.00 0.00 C ATOM 452 CE LYS A 29 4.551 7.052 -9.687 1.00 0.00 C ATOM 453 NZ LYS A 29 3.405 7.773 -10.263 1.00 0.00 N ATOM 0 H LYS A 29 7.638 4.616 -8.258 1.00 0.00 H new ATOM 0 HA LYS A 29 8.633 6.761 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.808 5.930 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.259 7.484 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.751 7.849 -8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.113 6.366 -9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.367 8.712 -8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.006 8.503 -10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.890 6.293 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.232 6.530 -8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.942 7.175 -10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.725 8.002 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.737 8.652 -10.709 1.00 0.00 H new ATOM 467 N PHE A 30 6.720 4.505 -5.303 1.00 0.00 N ATOM 468 CA PHE A 30 6.255 3.873 -4.097 1.00 0.00 C ATOM 469 C PHE A 30 7.407 3.551 -3.126 1.00 0.00 C ATOM 470 O PHE A 30 7.355 3.925 -1.948 1.00 0.00 O ATOM 471 CB PHE A 30 5.419 2.643 -4.510 1.00 0.00 C ATOM 472 CG PHE A 30 5.248 1.544 -3.512 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.377 1.652 -2.454 1.00 0.00 C ATOM 474 CD2 PHE A 30 5.963 0.388 -3.662 1.00 0.00 C ATOM 475 CE1 PHE A 30 4.230 0.616 -1.558 1.00 0.00 C ATOM 476 CE2 PHE A 30 5.821 -0.653 -2.774 1.00 0.00 C ATOM 477 CZ PHE A 30 4.954 -0.538 -1.718 1.00 0.00 C ATOM 0 H PHE A 30 6.418 4.020 -6.148 1.00 0.00 H new ATOM 0 HA PHE A 30 5.621 4.552 -3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.427 2.994 -4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.874 2.215 -5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.803 2.557 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.649 0.291 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.544 0.712 -0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.392 -1.560 -2.908 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.842 -1.351 -1.016 1.00 0.00 H new ATOM 487 N LYS A 31 8.465 2.942 -3.629 1.00 0.00 N ATOM 488 CA LYS A 31 9.589 2.566 -2.777 1.00 0.00 C ATOM 489 C LYS A 31 10.443 3.761 -2.383 1.00 0.00 C ATOM 490 O LYS A 31 11.087 3.737 -1.347 1.00 0.00 O ATOM 491 CB LYS A 31 10.435 1.439 -3.399 1.00 0.00 C ATOM 492 CG LYS A 31 11.192 1.803 -4.669 1.00 0.00 C ATOM 493 CD LYS A 31 11.883 0.578 -5.253 1.00 0.00 C ATOM 494 CE LYS A 31 12.732 0.920 -6.469 1.00 0.00 C ATOM 495 NZ LYS A 31 13.879 1.771 -6.122 1.00 0.00 N ATOM 0 H LYS A 31 8.574 2.697 -4.613 1.00 0.00 H new ATOM 0 HA LYS A 31 9.158 2.172 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.155 1.097 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.779 0.597 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.503 2.222 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.931 2.574 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.513 0.120 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.132 -0.161 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.091 -0.000 -6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.115 1.429 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.599 1.705 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.564 2.758 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.287 1.453 -5.220 1.00 0.00 H new ATOM 509 N LEU A 32 10.445 4.817 -3.177 1.00 0.00 N ATOM 510 CA LEU A 32 11.205 5.981 -2.785 1.00 0.00 C ATOM 511 C LEU A 32 10.417 6.767 -1.767 1.00 0.00 C ATOM 512 O LEU A 32 10.986 7.342 -0.844 1.00 0.00 O ATOM 513 CB LEU A 32 11.658 6.846 -4.004 1.00 0.00 C ATOM 514 CG LEU A 32 10.597 7.632 -4.824 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.179 8.933 -4.137 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.104 7.906 -6.225 1.00 0.00 C ATOM 0 H LEU A 32 9.947 4.890 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 32 12.135 5.651 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.388 7.568 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.181 6.186 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 32 9.708 7.004 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.437 9.445 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.751 8.707 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.051 9.575 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.348 8.457 -6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.018 8.497 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.311 6.962 -6.728 1.00 0.00 H new ATOM 528 N TYR A 33 9.099 6.750 -1.917 1.00 0.00 N ATOM 529 CA TYR A 33 8.233 7.454 -1.023 1.00 0.00 C ATOM 530 C TYR A 33 8.346 6.914 0.381 1.00 0.00 C ATOM 531 O TYR A 33 8.745 7.628 1.264 1.00 0.00 O ATOM 532 CB TYR A 33 6.766 7.452 -1.489 1.00 0.00 C ATOM 533 CG TYR A 33 5.862 8.165 -0.508 1.00 0.00 C ATOM 534 CD1 TYR A 33 5.711 9.537 -0.550 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.206 7.461 0.495 1.00 0.00 C ATOM 536 CE1 TYR A 33 4.935 10.189 0.391 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.427 8.095 1.420 1.00 0.00 C ATOM 538 CZ TYR A 33 4.294 9.454 1.371 1.00 0.00 C ATOM 539 OH TYR A 33 3.550 10.092 2.331 1.00 0.00 O ATOM 0 H TYR A 33 8.617 6.247 -2.662 1.00 0.00 H new ATOM 0 HA TYR A 33 8.565 8.492 -1.026 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.694 7.933 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.426 6.424 -1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.203 10.106 -1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.315 6.388 0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.831 11.264 0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.919 7.526 2.185 1.00 0.00 H new ATOM 0 HH TYR A 33 3.786 9.740 3.215 1.00 0.00 H new ATOM 549 N LEU A 34 8.015 5.663 0.573 1.00 0.00 N ATOM 550 CA LEU A 34 8.034 5.090 1.907 1.00 0.00 C ATOM 551 C LEU A 34 9.412 4.602 2.329 1.00 0.00 C ATOM 552 O LEU A 34 9.707 4.508 3.511 1.00 0.00 O ATOM 553 CB LEU A 34 6.952 3.997 2.053 1.00 0.00 C ATOM 554 CG LEU A 34 6.865 2.883 0.988 1.00 0.00 C ATOM 555 CD1 LEU A 34 8.060 1.942 1.010 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.579 2.111 1.161 1.00 0.00 C ATOM 0 H LEU A 34 7.730 5.021 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 34 7.790 5.894 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.098 3.517 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.983 4.495 2.088 1.00 0.00 H new ATOM 0 HG LEU A 34 6.877 3.369 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.939 1.182 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.972 2.508 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.126 1.461 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.522 1.326 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.554 1.663 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.731 2.786 1.047 1.00 0.00 H new ATOM 568 N GLY A 35 10.266 4.340 1.373 1.00 0.00 N ATOM 569 CA GLY A 35 11.545 3.785 1.701 1.00 0.00 C ATOM 570 C GLY A 35 12.478 4.786 2.340 1.00 0.00 C ATOM 571 O GLY A 35 12.980 4.559 3.444 1.00 0.00 O ATOM 0 H GLY A 35 10.100 4.500 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.406 2.943 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.007 3.393 0.795 1.00 0.00 H new ATOM 575 N THR A 36 12.693 5.896 1.682 1.00 0.00 N ATOM 576 CA THR A 36 13.591 6.918 2.218 1.00 0.00 C ATOM 577 C THR A 36 12.771 8.056 2.863 1.00 0.00 C ATOM 578 O THR A 36 13.242 9.183 3.027 1.00 0.00 O ATOM 579 CB THR A 36 14.600 7.447 1.119 1.00 0.00 C ATOM 580 OG1 THR A 36 15.548 8.376 1.683 1.00 0.00 O ATOM 581 CG2 THR A 36 13.881 8.105 -0.050 1.00 0.00 C ATOM 0 H THR A 36 12.270 6.125 0.783 1.00 0.00 H new ATOM 0 HA THR A 36 14.206 6.467 2.997 1.00 0.00 H new ATOM 0 HB THR A 36 15.133 6.573 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.129 8.862 2.423 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.613 8.452 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.215 7.382 -0.521 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.299 8.953 0.311 1.00 0.00 H new ATOM 589 N ALA A 37 11.554 7.716 3.261 1.00 0.00 N ATOM 590 CA ALA A 37 10.638 8.645 3.910 1.00 0.00 C ATOM 591 C ALA A 37 11.162 9.121 5.249 1.00 0.00 C ATOM 592 O ALA A 37 11.292 8.335 6.200 1.00 0.00 O ATOM 593 CB ALA A 37 9.295 7.989 4.126 1.00 0.00 C ATOM 0 H ALA A 37 11.170 6.779 3.142 1.00 0.00 H new ATOM 0 HA ALA A 37 10.541 9.506 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.620 8.694 4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.877 7.690 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.417 7.109 4.758 1.00 0.00 H new ATOM 599 N THR A 38 11.402 10.401 5.339 1.00 0.00 N ATOM 600 CA THR A 38 11.861 11.014 6.553 1.00 0.00 C ATOM 601 C THR A 38 10.682 11.091 7.538 1.00 0.00 C ATOM 602 O THR A 38 10.852 11.054 8.753 1.00 0.00 O ATOM 603 CB THR A 38 12.410 12.422 6.252 1.00 0.00 C ATOM 604 OG1 THR A 38 13.281 12.341 5.098 1.00 0.00 O ATOM 605 CG2 THR A 38 13.204 12.965 7.436 1.00 0.00 C ATOM 0 H THR A 38 11.283 11.053 4.564 1.00 0.00 H new ATOM 0 HA THR A 38 12.664 10.423 6.994 1.00 0.00 H new ATOM 0 HB THR A 38 11.573 13.093 6.061 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.637 13.231 4.894 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.580 13.960 7.197 1.00 0.00 H new ATOM 0 HG22 THR A 38 12.558 13.022 8.312 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.043 12.301 7.647 1.00 0.00 H new ATOM 613 N GLU A 39 9.484 11.118 6.972 1.00 0.00 N ATOM 614 CA GLU A 39 8.224 11.156 7.729 1.00 0.00 C ATOM 615 C GLU A 39 8.006 9.868 8.535 1.00 0.00 C ATOM 616 O GLU A 39 7.195 9.825 9.459 1.00 0.00 O ATOM 617 CB GLU A 39 7.038 11.419 6.789 1.00 0.00 C ATOM 618 CG GLU A 39 6.938 10.446 5.624 1.00 0.00 C ATOM 619 CD GLU A 39 5.773 10.733 4.720 1.00 0.00 C ATOM 620 OE1 GLU A 39 5.741 11.801 4.097 1.00 0.00 O ATOM 621 OE2 GLU A 39 4.860 9.883 4.623 1.00 0.00 O ATOM 0 H GLU A 39 9.349 11.114 5.961 1.00 0.00 H new ATOM 0 HA GLU A 39 8.292 11.978 8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.114 11.373 7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.118 12.432 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.860 10.486 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.849 9.431 6.012 1.00 0.00 H new ATOM 628 N LEU A 40 8.754 8.830 8.192 1.00 0.00 N ATOM 629 CA LEU A 40 8.680 7.564 8.899 1.00 0.00 C ATOM 630 C LEU A 40 9.722 7.499 9.994 1.00 0.00 C ATOM 631 O LEU A 40 9.959 6.446 10.595 1.00 0.00 O ATOM 632 CB LEU A 40 8.904 6.403 7.965 1.00 0.00 C ATOM 633 CG LEU A 40 7.852 6.144 6.890 1.00 0.00 C ATOM 634 CD1 LEU A 40 8.193 4.893 6.128 1.00 0.00 C ATOM 635 CD2 LEU A 40 6.458 6.023 7.478 1.00 0.00 C ATOM 0 H LEU A 40 9.423 8.842 7.422 1.00 0.00 H new ATOM 0 HA LEU A 40 7.681 7.498 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.862 6.553 7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.996 5.500 8.569 1.00 0.00 H new ATOM 0 HG LEU A 40 7.855 7.000 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.437 4.716 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.168 5.010 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.221 4.046 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.741 5.839 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.432 5.195 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.199 6.948 7.992 1.00 0.00 H new ATOM 647 N GLY A 41 10.377 8.591 10.189 1.00 0.00 N ATOM 648 CA GLY A 41 11.362 8.723 11.226 1.00 0.00 C ATOM 649 C GLY A 41 12.705 8.228 10.775 1.00 0.00 C ATOM 650 O GLY A 41 13.639 9.014 10.582 1.00 0.00 O ATOM 0 H GLY A 41 10.248 9.434 9.629 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.440 9.768 11.524 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.043 8.163 12.105 1.00 0.00 H new ATOM 654 N GLU A 42 12.803 6.936 10.589 1.00 0.00 N ATOM 655 CA GLU A 42 14.039 6.323 10.152 1.00 0.00 C ATOM 656 C GLU A 42 14.013 6.059 8.666 1.00 0.00 C ATOM 657 O GLU A 42 15.037 6.123 8.000 1.00 0.00 O ATOM 658 CB GLU A 42 14.241 4.964 10.802 1.00 0.00 C ATOM 659 CG GLU A 42 14.252 4.916 12.303 1.00 0.00 C ATOM 660 CD GLU A 42 14.640 3.537 12.769 1.00 0.00 C ATOM 661 OE1 GLU A 42 13.770 2.642 12.853 1.00 0.00 O ATOM 662 OE2 GLU A 42 15.842 3.306 12.986 1.00 0.00 O ATOM 0 H GLU A 42 12.036 6.280 10.734 1.00 0.00 H new ATOM 0 HA GLU A 42 14.833 7.017 10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.452 4.300 10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.186 4.555 10.444 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.954 5.652 12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.267 5.177 12.691 1.00 0.00 H new ATOM 669 N GLY A 43 12.837 5.769 8.153 1.00 0.00 N ATOM 670 CA GLY A 43 12.758 5.214 6.828 1.00 0.00 C ATOM 671 C GLY A 43 13.069 3.741 6.975 1.00 0.00 C ATOM 672 O GLY A 43 14.216 3.326 6.879 1.00 0.00 O ATOM 0 H GLY A 43 11.943 5.906 8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.766 5.363 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.469 5.698 6.159 1.00 0.00 H new ATOM 676 N LYS A 44 12.039 2.963 7.255 1.00 0.00 N ATOM 677 CA LYS A 44 12.183 1.552 7.663 1.00 0.00 C ATOM 678 C LYS A 44 12.796 0.635 6.602 1.00 0.00 C ATOM 679 O LYS A 44 13.238 -0.459 6.924 1.00 0.00 O ATOM 680 CB LYS A 44 10.840 0.983 8.137 1.00 0.00 C ATOM 681 CG LYS A 44 10.244 1.671 9.366 1.00 0.00 C ATOM 682 CD LYS A 44 11.092 1.456 10.620 1.00 0.00 C ATOM 683 CE LYS A 44 10.466 2.147 11.825 1.00 0.00 C ATOM 684 NZ LYS A 44 11.238 1.929 13.065 1.00 0.00 N ATOM 0 H LYS A 44 11.071 3.280 7.210 1.00 0.00 H new ATOM 0 HA LYS A 44 12.897 1.570 8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.124 1.052 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.969 -0.076 8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.151 2.740 9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.238 1.290 9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.191 0.389 10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.097 1.844 10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.393 3.217 11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.450 1.779 11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.109 2.741 13.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.903 1.064 13.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.247 1.828 12.833 1.00 0.00 H new ATOM 698 N ILE A 45 12.846 1.067 5.377 1.00 0.00 N ATOM 699 CA ILE A 45 13.368 0.217 4.327 1.00 0.00 C ATOM 700 C ILE A 45 14.906 0.210 4.331 1.00 0.00 C ATOM 701 O ILE A 45 15.540 1.274 4.362 1.00 0.00 O ATOM 702 CB ILE A 45 12.799 0.599 2.935 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.258 0.449 2.932 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.438 -0.231 1.812 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.748 -0.942 3.309 1.00 0.00 C ATOM 0 H ILE A 45 12.538 1.991 5.074 1.00 0.00 H new ATOM 0 HA ILE A 45 13.033 -0.799 4.535 1.00 0.00 H new ATOM 0 HB ILE A 45 13.050 1.642 2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.835 1.176 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.885 0.701 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.013 0.066 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.514 -0.060 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.240 -1.289 1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.658 -0.950 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.136 -1.676 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.086 -1.193 4.315 1.00 0.00 H new ATOM 717 N PRO A 46 15.515 -0.999 4.358 1.00 0.00 N ATOM 718 CA PRO A 46 16.969 -1.172 4.365 1.00 0.00 C ATOM 719 C PRO A 46 17.661 -0.755 3.048 1.00 0.00 C ATOM 720 O PRO A 46 17.062 -0.110 2.176 1.00 0.00 O ATOM 721 CB PRO A 46 17.166 -2.665 4.635 1.00 0.00 C ATOM 722 CG PRO A 46 15.887 -3.307 4.263 1.00 0.00 C ATOM 723 CD PRO A 46 14.813 -2.290 4.432 1.00 0.00 C ATOM 0 HA PRO A 46 17.427 -0.526 5.114 1.00 0.00 H new ATOM 0 HB2 PRO A 46 17.991 -3.065 4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.405 -2.846 5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.921 -3.662 3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.696 -4.176 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.058 -2.377 3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.300 -2.409 5.386 1.00 0.00 H new ATOM 731 N TRP A 47 18.904 -1.163 2.907 1.00 0.00 N ATOM 732 CA TRP A 47 19.781 -0.716 1.842 1.00 0.00 C ATOM 733 C TRP A 47 19.495 -1.365 0.479 1.00 0.00 C ATOM 734 O TRP A 47 20.245 -2.231 0.015 1.00 0.00 O ATOM 735 CB TRP A 47 21.247 -0.926 2.250 1.00 0.00 C ATOM 736 CG TRP A 47 21.610 -0.282 3.562 1.00 0.00 C ATOM 737 CD1 TRP A 47 22.111 0.971 3.752 1.00 0.00 C ATOM 738 CD2 TRP A 47 21.493 -0.870 4.869 1.00 0.00 C ATOM 739 NE1 TRP A 47 22.315 1.198 5.092 1.00 0.00 N ATOM 740 CE2 TRP A 47 21.942 0.083 5.798 1.00 0.00 C ATOM 741 CE3 TRP A 47 21.049 -2.112 5.337 1.00 0.00 C ATOM 742 CZ2 TRP A 47 21.962 -0.166 7.170 1.00 0.00 C ATOM 743 CZ3 TRP A 47 21.068 -2.357 6.692 1.00 0.00 C ATOM 744 CH2 TRP A 47 21.520 -1.390 7.596 1.00 0.00 C ATOM 0 H TRP A 47 19.344 -1.829 3.542 1.00 0.00 H new ATOM 0 HA TRP A 47 19.581 0.346 1.704 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.447 -1.996 2.313 1.00 0.00 H new ATOM 0 HB3 TRP A 47 21.893 -0.526 1.468 1.00 0.00 H new ATOM 0 HD1 TRP A 47 22.317 1.681 2.965 1.00 0.00 H new ATOM 0 HE1 TRP A 47 22.685 2.058 5.497 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.698 -2.865 4.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 22.313 0.578 7.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.728 -3.313 7.063 1.00 0.00 H new ATOM 0 HH2 TRP A 47 21.520 -1.614 8.653 1.00 0.00 H new ATOM 755 N GLY A 48 18.402 -0.973 -0.122 1.00 0.00 N ATOM 756 CA GLY A 48 18.084 -1.407 -1.466 1.00 0.00 C ATOM 757 C GLY A 48 17.421 -2.770 -1.541 1.00 0.00 C ATOM 758 O GLY A 48 17.615 -3.503 -2.507 1.00 0.00 O ATOM 0 H GLY A 48 17.711 -0.351 0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.427 -0.670 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.001 -1.429 -2.055 1.00 0.00 H new ATOM 762 N SER A 49 16.639 -3.119 -0.550 1.00 0.00 N ATOM 763 CA SER A 49 15.967 -4.402 -0.563 1.00 0.00 C ATOM 764 C SER A 49 14.759 -4.409 -1.515 1.00 0.00 C ATOM 765 O SER A 49 14.440 -5.434 -2.113 1.00 0.00 O ATOM 766 CB SER A 49 15.556 -4.782 0.848 1.00 0.00 C ATOM 767 OG SER A 49 16.688 -4.771 1.702 1.00 0.00 O ATOM 0 H SER A 49 16.451 -2.542 0.270 1.00 0.00 H new ATOM 0 HA SER A 49 16.667 -5.148 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.805 -4.084 1.217 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.099 -5.772 0.849 1.00 0.00 H new ATOM 0 HG SER A 49 16.563 -5.427 2.419 1.00 0.00 H new ATOM 773 N MET A 50 14.138 -3.249 -1.724 1.00 0.00 N ATOM 774 CA MET A 50 12.931 -3.183 -2.561 1.00 0.00 C ATOM 775 C MET A 50 13.282 -3.077 -4.029 1.00 0.00 C ATOM 776 O MET A 50 12.407 -3.001 -4.883 1.00 0.00 O ATOM 777 CB MET A 50 12.009 -2.022 -2.166 1.00 0.00 C ATOM 778 CG MET A 50 11.499 -2.087 -0.743 1.00 0.00 C ATOM 779 SD MET A 50 10.350 -0.759 -0.344 1.00 0.00 S ATOM 780 CE MET A 50 8.963 -1.176 -1.391 1.00 0.00 C ATOM 0 H MET A 50 14.440 -2.355 -1.336 1.00 0.00 H new ATOM 0 HA MET A 50 12.392 -4.115 -2.390 1.00 0.00 H new ATOM 0 HB2 MET A 50 12.546 -1.084 -2.304 1.00 0.00 H new ATOM 0 HB3 MET A 50 11.156 -2.004 -2.845 1.00 0.00 H new ATOM 0 HG2 MET A 50 11.006 -3.046 -0.583 1.00 0.00 H new ATOM 0 HG3 MET A 50 12.345 -2.045 -0.058 1.00 0.00 H new ATOM 0 HE1 MET A 50 8.184 -0.422 -1.280 1.00 0.00 H new ATOM 0 HE2 MET A 50 9.289 -1.211 -2.430 1.00 0.00 H new ATOM 0 HE3 MET A 50 8.569 -2.150 -1.102 1.00 0.00 H new ATOM 790 N GLU A 51 14.557 -3.102 -4.315 1.00 0.00 N ATOM 791 CA GLU A 51 15.040 -2.994 -5.672 1.00 0.00 C ATOM 792 C GLU A 51 14.809 -4.295 -6.415 1.00 0.00 C ATOM 793 O GLU A 51 14.327 -4.315 -7.540 1.00 0.00 O ATOM 794 CB GLU A 51 16.520 -2.701 -5.666 1.00 0.00 C ATOM 795 CG GLU A 51 16.927 -1.454 -4.892 1.00 0.00 C ATOM 796 CD GLU A 51 16.118 -0.242 -5.245 1.00 0.00 C ATOM 797 OE1 GLU A 51 16.237 0.263 -6.364 1.00 0.00 O ATOM 798 OE2 GLU A 51 15.343 0.238 -4.401 1.00 0.00 O ATOM 0 H GLU A 51 15.293 -3.198 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 51 14.500 -2.187 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.043 -3.559 -5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.859 -2.597 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.827 -1.650 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.980 -1.246 -5.081 1.00 0.00 H new ATOM 805 N LYS A 52 15.152 -5.368 -5.757 1.00 0.00 N ATOM 806 CA LYS A 52 15.025 -6.711 -6.313 1.00 0.00 C ATOM 807 C LYS A 52 13.588 -7.183 -6.193 1.00 0.00 C ATOM 808 O LYS A 52 13.145 -8.075 -6.921 1.00 0.00 O ATOM 809 CB LYS A 52 15.887 -7.675 -5.506 1.00 0.00 C ATOM 810 CG LYS A 52 17.359 -7.308 -5.398 1.00 0.00 C ATOM 811 CD LYS A 52 18.095 -8.277 -4.473 1.00 0.00 C ATOM 812 CE LYS A 52 17.561 -8.200 -3.038 1.00 0.00 C ATOM 813 NZ LYS A 52 18.239 -9.144 -2.129 1.00 0.00 N ATOM 0 H LYS A 52 15.532 -5.348 -4.811 1.00 0.00 H new ATOM 0 HA LYS A 52 15.336 -6.687 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.474 -7.748 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.810 -8.665 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.816 -7.325 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.458 -6.291 -5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.986 -9.294 -4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.161 -8.048 -4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.687 -7.185 -2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.491 -8.409 -3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.841 -9.052 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.098 -10.116 -2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.256 -8.930 -2.103 1.00 0.00 H new ATOM 827 N ALA A 53 12.872 -6.555 -5.307 1.00 0.00 N ATOM 828 CA ALA A 53 11.549 -6.985 -4.926 1.00 0.00 C ATOM 829 C ALA A 53 10.482 -6.491 -5.878 1.00 0.00 C ATOM 830 O ALA A 53 10.457 -5.314 -6.238 1.00 0.00 O ATOM 831 CB ALA A 53 11.250 -6.514 -3.514 1.00 0.00 C ATOM 0 H ALA A 53 13.191 -5.718 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 53 11.531 -8.074 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.250 -6.839 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.982 -6.938 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.303 -5.426 -3.474 1.00 0.00 H new ATOM 837 N GLY A 54 9.618 -7.392 -6.292 1.00 0.00 N ATOM 838 CA GLY A 54 8.498 -7.038 -7.100 1.00 0.00 C ATOM 839 C GLY A 54 7.306 -6.818 -6.207 1.00 0.00 C ATOM 840 O GLY A 54 7.470 -6.847 -5.002 1.00 0.00 O ATOM 0 H GLY A 54 9.682 -8.386 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.714 -6.135 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.288 -7.828 -7.822 1.00 0.00 H new ATOM 844 N PRO A 55 6.109 -6.653 -6.757 1.00 0.00 N ATOM 845 CA PRO A 55 4.872 -6.393 -5.980 1.00 0.00 C ATOM 846 C PRO A 55 4.681 -7.381 -4.817 1.00 0.00 C ATOM 847 O PRO A 55 4.416 -6.981 -3.679 1.00 0.00 O ATOM 848 CB PRO A 55 3.763 -6.586 -7.013 1.00 0.00 C ATOM 849 CG PRO A 55 4.408 -6.298 -8.322 1.00 0.00 C ATOM 850 CD PRO A 55 5.849 -6.716 -8.193 1.00 0.00 C ATOM 0 HA PRO A 55 4.889 -5.407 -5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.366 -7.601 -6.982 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.927 -5.911 -6.827 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.916 -6.846 -9.125 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.332 -5.238 -8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.009 -7.721 -8.584 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.509 -6.049 -8.748 1.00 0.00 H new ATOM 858 N LEU A 56 4.879 -8.653 -5.112 1.00 0.00 N ATOM 859 CA LEU A 56 4.730 -9.731 -4.129 1.00 0.00 C ATOM 860 C LEU A 56 5.770 -9.605 -3.034 1.00 0.00 C ATOM 861 O LEU A 56 5.449 -9.633 -1.848 1.00 0.00 O ATOM 862 CB LEU A 56 4.883 -11.088 -4.819 1.00 0.00 C ATOM 863 CG LEU A 56 4.823 -12.330 -3.932 1.00 0.00 C ATOM 864 CD1 LEU A 56 3.442 -12.505 -3.317 1.00 0.00 C ATOM 865 CD2 LEU A 56 5.234 -13.552 -4.728 1.00 0.00 C ATOM 0 H LEU A 56 5.149 -8.977 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 56 3.738 -9.654 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.102 -11.174 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.837 -11.094 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 56 5.524 -12.203 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.433 -13.398 -2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.202 -11.633 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.701 -12.610 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.189 -14.434 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.557 -13.681 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.252 -13.422 -5.095 1.00 0.00 H new ATOM 877 N GLU A 57 7.005 -9.430 -3.431 1.00 0.00 N ATOM 878 CA GLU A 57 8.080 -9.351 -2.480 1.00 0.00 C ATOM 879 C GLU A 57 8.065 -8.043 -1.707 1.00 0.00 C ATOM 880 O GLU A 57 8.432 -8.011 -0.540 1.00 0.00 O ATOM 881 CB GLU A 57 9.418 -9.647 -3.127 1.00 0.00 C ATOM 882 CG GLU A 57 9.482 -11.054 -3.680 1.00 0.00 C ATOM 883 CD GLU A 57 10.869 -11.500 -3.997 1.00 0.00 C ATOM 884 OE1 GLU A 57 11.522 -12.075 -3.109 1.00 0.00 O ATOM 885 OE2 GLU A 57 11.326 -11.327 -5.137 1.00 0.00 O ATOM 0 H GLU A 57 7.289 -9.340 -4.406 1.00 0.00 H new ATOM 0 HA GLU A 57 7.920 -10.133 -1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.598 -8.933 -3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.213 -9.509 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.043 -11.742 -2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.874 -11.110 -4.583 1.00 0.00 H new ATOM 892 N MET A 58 7.600 -6.976 -2.342 1.00 0.00 N ATOM 893 CA MET A 58 7.418 -5.701 -1.663 1.00 0.00 C ATOM 894 C MET A 58 6.418 -5.866 -0.565 1.00 0.00 C ATOM 895 O MET A 58 6.650 -5.423 0.546 1.00 0.00 O ATOM 896 CB MET A 58 6.978 -4.584 -2.622 1.00 0.00 C ATOM 897 CG MET A 58 8.084 -4.117 -3.549 1.00 0.00 C ATOM 898 SD MET A 58 7.570 -2.798 -4.650 1.00 0.00 S ATOM 899 CE MET A 58 9.115 -2.459 -5.489 1.00 0.00 C ATOM 0 H MET A 58 7.341 -6.968 -3.329 1.00 0.00 H new ATOM 0 HA MET A 58 8.381 -5.400 -1.251 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.138 -4.938 -3.220 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.619 -3.735 -2.040 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.930 -3.775 -2.952 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.433 -4.962 -4.142 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.180 -1.395 -5.716 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.948 -2.745 -4.847 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.159 -3.031 -6.416 1.00 0.00 H new ATOM 909 N ALA A 59 5.339 -6.579 -0.864 1.00 0.00 N ATOM 910 CA ALA A 59 4.301 -6.868 0.109 1.00 0.00 C ATOM 911 C ALA A 59 4.899 -7.511 1.362 1.00 0.00 C ATOM 912 O ALA A 59 4.561 -7.146 2.488 1.00 0.00 O ATOM 913 CB ALA A 59 3.236 -7.774 -0.501 1.00 0.00 C ATOM 0 H ALA A 59 5.162 -6.972 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 59 3.831 -5.928 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.465 -7.981 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.787 -7.279 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.694 -8.711 -0.819 1.00 0.00 H new ATOM 919 N GLN A 60 5.847 -8.403 1.152 1.00 0.00 N ATOM 920 CA GLN A 60 6.490 -9.095 2.246 1.00 0.00 C ATOM 921 C GLN A 60 7.439 -8.162 2.991 1.00 0.00 C ATOM 922 O GLN A 60 7.638 -8.291 4.189 1.00 0.00 O ATOM 923 CB GLN A 60 7.249 -10.301 1.751 1.00 0.00 C ATOM 924 CG GLN A 60 6.445 -11.186 0.840 1.00 0.00 C ATOM 925 CD GLN A 60 7.167 -12.468 0.522 1.00 0.00 C ATOM 926 OE1 GLN A 60 7.937 -12.550 -0.438 1.00 0.00 O ATOM 927 NE2 GLN A 60 6.939 -13.471 1.325 1.00 0.00 N ATOM 0 H GLN A 60 6.189 -8.665 0.227 1.00 0.00 H new ATOM 0 HA GLN A 60 5.710 -9.429 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.142 -9.966 1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.585 -10.885 2.608 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.488 -11.415 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.228 -10.653 -0.085 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.294 -13.361 2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.405 -14.365 1.170 1.00 0.00 H new ATOM 936 N LEU A 61 8.021 -7.231 2.290 1.00 0.00 N ATOM 937 CA LEU A 61 8.907 -6.270 2.908 1.00 0.00 C ATOM 938 C LEU A 61 8.150 -5.314 3.812 1.00 0.00 C ATOM 939 O LEU A 61 8.486 -5.192 4.998 1.00 0.00 O ATOM 940 CB LEU A 61 9.776 -5.541 1.877 1.00 0.00 C ATOM 941 CG LEU A 61 11.161 -6.164 1.598 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.064 -7.610 1.149 1.00 0.00 C ATOM 943 CD2 LEU A 61 11.901 -5.350 0.567 1.00 0.00 C ATOM 0 H LEU A 61 7.901 -7.112 1.284 1.00 0.00 H new ATOM 0 HA LEU A 61 9.595 -6.826 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.226 -5.492 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.922 -4.515 2.215 1.00 0.00 H new ATOM 0 HG LEU A 61 11.714 -6.153 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.064 -8.002 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.580 -8.201 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.478 -7.668 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.876 -5.800 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.327 -5.328 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.036 -4.333 0.935 1.00 0.00 H new ATOM 955 N LEU A 62 7.091 -4.685 3.297 1.00 0.00 N ATOM 956 CA LEU A 62 6.299 -3.785 4.118 1.00 0.00 C ATOM 957 C LEU A 62 5.683 -4.537 5.300 1.00 0.00 C ATOM 958 O LEU A 62 5.622 -4.006 6.412 1.00 0.00 O ATOM 959 CB LEU A 62 5.193 -3.025 3.319 1.00 0.00 C ATOM 960 CG LEU A 62 5.626 -1.960 2.280 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.567 -0.960 2.876 1.00 0.00 C ATOM 962 CD2 LEU A 62 6.226 -2.576 1.068 1.00 0.00 C ATOM 0 H LEU A 62 6.771 -4.783 2.333 1.00 0.00 H new ATOM 0 HA LEU A 62 6.987 -3.025 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.591 -3.769 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.540 -2.536 4.042 1.00 0.00 H new ATOM 0 HG LEU A 62 4.719 -1.438 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.849 -0.229 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.079 -0.451 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.460 -1.471 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.515 -1.793 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.107 -3.153 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.497 -3.235 0.596 1.00 0.00 H new ATOM 974 N ILE A 63 5.271 -5.790 5.068 1.00 0.00 N ATOM 975 CA ILE A 63 4.654 -6.603 6.120 1.00 0.00 C ATOM 976 C ILE A 63 5.669 -6.904 7.259 1.00 0.00 C ATOM 977 O ILE A 63 5.303 -6.942 8.433 1.00 0.00 O ATOM 978 CB ILE A 63 4.008 -7.924 5.512 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.718 -8.328 6.236 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.972 -9.106 5.493 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.891 -8.838 7.657 1.00 0.00 C ATOM 0 H ILE A 63 5.354 -6.259 4.166 1.00 0.00 H new ATOM 0 HA ILE A 63 3.841 -6.032 6.567 1.00 0.00 H new ATOM 0 HB ILE A 63 3.767 -7.669 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.050 -7.467 6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.221 -9.101 5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.472 -9.976 5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.843 -8.855 4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.290 -9.332 6.511 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.917 -9.094 8.073 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.527 -9.723 7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.354 -8.063 8.268 1.00 0.00 H new ATOM 993 N THR A 64 6.936 -7.042 6.909 1.00 0.00 N ATOM 994 CA THR A 64 7.967 -7.349 7.887 1.00 0.00 C ATOM 995 C THR A 64 8.343 -6.106 8.711 1.00 0.00 C ATOM 996 O THR A 64 8.438 -6.166 9.946 1.00 0.00 O ATOM 997 CB THR A 64 9.235 -7.917 7.193 1.00 0.00 C ATOM 998 OG1 THR A 64 8.866 -9.038 6.378 1.00 0.00 O ATOM 999 CG2 THR A 64 10.267 -8.373 8.219 1.00 0.00 C ATOM 0 H THR A 64 7.277 -6.946 5.952 1.00 0.00 H new ATOM 0 HA THR A 64 7.561 -8.103 8.561 1.00 0.00 H new ATOM 0 HB THR A 64 9.674 -7.127 6.584 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.540 -8.719 5.511 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.143 -8.766 7.704 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.560 -7.527 8.841 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.836 -9.153 8.847 1.00 0.00 H new ATOM 1007 N HIS A 65 8.518 -4.986 8.039 1.00 0.00 N ATOM 1008 CA HIS A 65 8.960 -3.770 8.705 1.00 0.00 C ATOM 1009 C HIS A 65 7.832 -3.082 9.449 1.00 0.00 C ATOM 1010 O HIS A 65 7.963 -2.740 10.619 1.00 0.00 O ATOM 1011 CB HIS A 65 9.625 -2.800 7.717 1.00 0.00 C ATOM 1012 CG HIS A 65 10.891 -3.331 7.117 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.088 -4.036 5.978 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.128 -3.194 7.692 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.431 -4.339 5.853 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.011 -3.806 6.916 1.00 0.00 N flip ATOM 0 H HIS A 65 8.362 -4.889 7.036 1.00 0.00 H new ATOM 0 HA HIS A 65 9.703 -4.072 9.443 1.00 0.00 H new ATOM 0 HB2 HIS A 65 8.922 -2.571 6.917 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.841 -1.863 8.230 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.359 -4.302 5.316 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.345 -2.678 8.616 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.906 -4.893 5.057 1.00 0.00 H new ATOM 1024 N PHE A 66 6.743 -2.864 8.771 1.00 0.00 N ATOM 1025 CA PHE A 66 5.611 -2.173 9.344 1.00 0.00 C ATOM 1026 C PHE A 66 4.695 -3.084 10.127 1.00 0.00 C ATOM 1027 O PHE A 66 4.450 -2.859 11.318 1.00 0.00 O ATOM 1028 CB PHE A 66 4.877 -1.430 8.243 1.00 0.00 C ATOM 1029 CG PHE A 66 5.780 -0.449 7.610 1.00 0.00 C ATOM 1030 CD1 PHE A 66 5.955 0.794 8.171 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.516 -0.793 6.500 1.00 0.00 C ATOM 1032 CE1 PHE A 66 6.843 1.682 7.620 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.411 0.075 5.959 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.575 1.310 6.510 1.00 0.00 C ATOM 0 H PHE A 66 6.609 -3.158 7.804 1.00 0.00 H new ATOM 0 HA PHE A 66 5.982 -1.456 10.076 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.512 -2.136 7.497 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.005 -0.922 8.654 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.391 1.072 9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.381 -1.766 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.969 2.664 8.051 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.991 -0.214 5.095 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.282 2.002 6.076 1.00 0.00 H new ATOM 1044 N GLY A 67 4.206 -4.095 9.482 1.00 0.00 N ATOM 1045 CA GLY A 67 3.284 -5.008 10.100 1.00 0.00 C ATOM 1046 C GLY A 67 2.236 -5.382 9.102 1.00 0.00 C ATOM 1047 O GLY A 67 2.268 -4.851 8.012 1.00 0.00 O ATOM 0 H GLY A 67 4.431 -4.315 8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.809 -5.898 10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.825 -4.547 10.975 1.00 0.00 H new ATOM 1051 N PRO A 68 1.295 -6.268 9.438 1.00 0.00 N ATOM 1052 CA PRO A 68 0.267 -6.737 8.492 1.00 0.00 C ATOM 1053 C PRO A 68 -0.598 -5.617 7.910 1.00 0.00 C ATOM 1054 O PRO A 68 -0.512 -5.298 6.724 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.584 -7.715 9.314 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.231 -7.457 10.746 1.00 0.00 C ATOM 1057 CD PRO A 68 1.163 -6.904 10.756 1.00 0.00 C ATOM 0 HA PRO A 68 0.731 -7.191 7.616 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.647 -7.552 9.138 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.370 -8.747 9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.930 -6.752 11.195 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.286 -8.376 11.329 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.303 -6.185 11.563 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.905 -7.690 10.897 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.366 -4.983 8.751 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.279 -3.964 8.305 1.00 0.00 C ATOM 1067 C GLU A 69 -1.556 -2.649 8.095 1.00 0.00 C ATOM 1068 O GLU A 69 -2.025 -1.764 7.360 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.399 -3.804 9.299 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.204 -5.074 9.487 1.00 0.00 C ATOM 1071 CD GLU A 69 -4.790 -5.627 8.197 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -5.766 -5.024 7.665 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.315 -6.667 7.720 1.00 0.00 O ATOM 0 H GLU A 69 -1.379 -5.154 9.756 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.702 -4.270 7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.985 -3.496 10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.062 -3.005 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.567 -5.833 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.015 -4.878 10.189 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.406 -2.527 8.742 1.00 0.00 N ATOM 1081 CA GLU A 70 0.429 -1.349 8.640 1.00 0.00 C ATOM 1082 C GLU A 70 1.052 -1.295 7.230 1.00 0.00 C ATOM 1083 O GLU A 70 1.109 -0.240 6.615 1.00 0.00 O ATOM 1084 CB GLU A 70 1.514 -1.391 9.717 1.00 0.00 C ATOM 1085 CG GLU A 70 2.178 -0.048 9.998 1.00 0.00 C ATOM 1086 CD GLU A 70 1.266 0.915 10.723 1.00 0.00 C ATOM 1087 OE1 GLU A 70 0.476 1.631 10.071 1.00 0.00 O ATOM 1088 OE2 GLU A 70 1.329 0.977 11.965 1.00 0.00 O ATOM 0 H GLU A 70 -0.028 -3.249 9.355 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.169 -0.451 8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.076 -1.766 10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.280 -2.105 9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.076 -0.209 10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.496 0.399 9.056 1.00 0.00 H new ATOM 1095 N ALA A 71 1.502 -2.455 6.730 1.00 0.00 N ATOM 1096 CA ALA A 71 2.037 -2.597 5.357 1.00 0.00 C ATOM 1097 C ALA A 71 1.033 -2.110 4.340 1.00 0.00 C ATOM 1098 O ALA A 71 1.356 -1.295 3.471 1.00 0.00 O ATOM 1099 CB ALA A 71 2.318 -4.047 5.077 1.00 0.00 C ATOM 0 H ALA A 71 1.508 -3.325 7.262 1.00 0.00 H new ATOM 0 HA ALA A 71 2.949 -2.004 5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.712 -4.153 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.050 -4.421 5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.396 -4.621 5.169 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.179 -2.615 4.459 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.268 -2.238 3.590 1.00 0.00 C ATOM 1107 C TRP A 72 -1.517 -0.736 3.642 1.00 0.00 C ATOM 1108 O TRP A 72 -1.672 -0.074 2.601 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.531 -3.036 3.947 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.772 -2.569 3.252 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -4.972 -2.286 3.832 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -3.925 -2.287 1.857 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -5.854 -1.855 2.882 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.230 -1.847 1.670 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.078 -2.364 0.753 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.707 -1.485 0.441 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.566 -2.003 -0.483 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -4.870 -1.567 -0.625 1.00 0.00 C ATOM 0 H TRP A 72 -0.434 -3.303 5.167 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.995 -2.481 2.563 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.365 -4.085 3.703 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.689 -2.981 5.024 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.193 -2.387 4.884 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -6.822 -1.583 3.052 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.058 -2.701 0.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.724 -1.142 0.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.924 -2.061 -1.349 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.230 -1.286 -1.604 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.506 -0.209 4.837 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.715 1.200 5.063 1.00 0.00 C ATOM 1131 C ARG A 73 -0.630 2.004 4.362 1.00 0.00 C ATOM 1132 O ARG A 73 -0.921 2.976 3.674 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.723 1.473 6.556 1.00 0.00 C ATOM 1134 CG ARG A 73 -1.901 2.916 6.974 1.00 0.00 C ATOM 1135 CD ARG A 73 -1.875 2.988 8.483 1.00 0.00 C ATOM 1136 NE ARG A 73 -2.053 4.336 9.019 1.00 0.00 N ATOM 1137 CZ ARG A 73 -1.535 4.745 10.185 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -0.681 3.963 10.844 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -1.848 5.941 10.683 1.00 0.00 N ATOM 0 H ARG A 73 -1.351 -0.748 5.689 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.677 1.503 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.523 0.885 7.007 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.785 1.109 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.107 3.533 6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.845 3.307 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.660 2.344 8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.925 2.590 8.839 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.602 5.002 8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.422 3.054 10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.286 4.273 11.732 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.487 6.553 10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.449 6.244 11.571 1.00 0.00 H new ATOM 1153 N LEU A 74 0.608 1.557 4.519 1.00 0.00 N ATOM 1154 CA LEU A 74 1.755 2.162 3.866 1.00 0.00 C ATOM 1155 C LEU A 74 1.568 2.204 2.371 1.00 0.00 C ATOM 1156 O LEU A 74 1.758 3.239 1.767 1.00 0.00 O ATOM 1157 CB LEU A 74 3.059 1.420 4.227 1.00 0.00 C ATOM 1158 CG LEU A 74 3.949 2.044 5.318 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.618 3.322 4.820 1.00 0.00 C ATOM 1160 CD2 LEU A 74 3.153 2.330 6.580 1.00 0.00 C ATOM 0 H LEU A 74 0.844 0.758 5.108 1.00 0.00 H new ATOM 0 HA LEU A 74 1.836 3.187 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.796 0.411 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.655 1.325 3.319 1.00 0.00 H new ATOM 0 HG LEU A 74 4.726 1.318 5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.240 3.740 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.239 3.094 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.854 4.047 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.808 2.770 7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.345 3.025 6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.733 1.400 6.964 1.00 0.00 H new ATOM 1172 N ALA A 75 1.147 1.097 1.786 1.00 0.00 N ATOM 1173 CA ALA A 75 0.961 1.038 0.351 1.00 0.00 C ATOM 1174 C ALA A 75 -0.143 1.961 -0.120 1.00 0.00 C ATOM 1175 O ALA A 75 0.097 2.795 -0.983 1.00 0.00 O ATOM 1176 CB ALA A 75 0.721 -0.367 -0.120 1.00 0.00 C ATOM 0 H ALA A 75 0.929 0.232 2.281 1.00 0.00 H new ATOM 0 HA ALA A 75 1.891 1.387 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.586 -0.370 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.577 -0.989 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.175 -0.763 0.358 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.333 1.866 0.478 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.464 2.690 0.030 1.00 0.00 C ATOM 1184 C LEU A 76 -2.166 4.176 0.210 1.00 0.00 C ATOM 1185 O LEU A 76 -2.433 4.988 -0.678 1.00 0.00 O ATOM 1186 CB LEU A 76 -3.811 2.249 0.683 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.016 2.487 2.195 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.524 3.890 2.484 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -4.949 1.456 2.777 1.00 0.00 C ATOM 0 H LEU A 76 -1.539 1.241 1.258 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.593 2.524 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.617 2.760 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.935 1.182 0.497 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.042 2.386 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.655 4.015 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.803 4.621 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.480 4.041 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.079 1.643 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.916 1.517 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.528 0.461 2.632 1.00 0.00 H new ATOM 1201 N SER A 77 -1.527 4.498 1.311 1.00 0.00 N ATOM 1202 CA SER A 77 -1.156 5.845 1.615 1.00 0.00 C ATOM 1203 C SER A 77 0.093 6.318 0.862 1.00 0.00 C ATOM 1204 O SER A 77 0.503 7.479 0.953 1.00 0.00 O ATOM 1205 CB SER A 77 -1.098 6.044 3.114 1.00 0.00 C ATOM 1206 OG SER A 77 -2.413 6.201 3.606 1.00 0.00 O ATOM 0 H SER A 77 -1.251 3.820 2.022 1.00 0.00 H new ATOM 0 HA SER A 77 -1.937 6.505 1.238 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.617 5.189 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.498 6.922 3.355 1.00 0.00 H new ATOM 0 HG SER A 77 -2.911 6.810 3.021 1.00 0.00 H new ATOM 1212 N THR A 78 0.671 5.429 0.109 1.00 0.00 N ATOM 1213 CA THR A 78 1.701 5.790 -0.791 1.00 0.00 C ATOM 1214 C THR A 78 1.080 5.993 -2.173 1.00 0.00 C ATOM 1215 O THR A 78 1.419 6.955 -2.859 1.00 0.00 O ATOM 1216 CB THR A 78 2.842 4.747 -0.822 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.461 4.693 0.462 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.889 5.109 -1.843 1.00 0.00 C ATOM 0 H THR A 78 0.435 4.437 0.109 1.00 0.00 H new ATOM 0 HA THR A 78 2.163 6.719 -0.456 1.00 0.00 H new ATOM 0 HB THR A 78 2.412 3.782 -1.089 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.940 4.109 1.052 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.677 4.356 -1.839 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.433 5.152 -2.832 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.316 6.081 -1.597 1.00 0.00 H new ATOM 1226 N PHE A 79 0.090 5.122 -2.527 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.620 5.195 -3.817 1.00 0.00 C ATOM 1228 C PHE A 79 -1.143 6.613 -4.035 1.00 0.00 C ATOM 1229 O PHE A 79 -0.906 7.230 -5.072 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.849 4.248 -3.871 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.599 2.775 -3.702 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.383 2.197 -4.025 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.611 1.960 -3.220 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.188 0.840 -3.861 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.418 0.606 -3.056 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.204 0.045 -3.376 1.00 0.00 C ATOM 0 H PHE A 79 -0.227 4.362 -1.926 1.00 0.00 H new ATOM 0 HA PHE A 79 0.097 4.899 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.549 4.561 -3.097 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.346 4.397 -4.829 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.418 2.812 -4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.567 2.394 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.765 0.399 -4.114 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.218 -0.013 -2.677 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.047 -1.016 -3.248 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.820 7.129 -3.023 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.403 8.462 -3.058 1.00 0.00 C ATOM 1248 C GLU A 80 -1.364 9.558 -3.355 1.00 0.00 C ATOM 1249 O GLU A 80 -1.564 10.390 -4.238 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.155 8.760 -1.743 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.350 8.453 -0.487 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.036 8.855 0.815 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -3.261 10.058 1.018 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.313 7.978 1.678 1.00 0.00 O ATOM 0 H GLU A 80 -1.982 6.632 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.115 8.475 -3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.442 9.811 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.076 8.178 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.139 7.384 -0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.390 8.965 -0.551 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.233 9.499 -2.693 1.00 0.00 N ATOM 1262 CA ARG A 81 0.743 10.570 -2.773 1.00 0.00 C ATOM 1263 C ARG A 81 1.738 10.409 -3.916 1.00 0.00 C ATOM 1264 O ARG A 81 2.443 11.345 -4.254 1.00 0.00 O ATOM 1265 CB ARG A 81 1.423 10.760 -1.428 1.00 0.00 C ATOM 1266 CG ARG A 81 0.433 11.179 -0.355 1.00 0.00 C ATOM 1267 CD ARG A 81 1.036 11.143 1.015 1.00 0.00 C ATOM 1268 NE ARG A 81 0.033 11.348 2.059 1.00 0.00 N ATOM 1269 CZ ARG A 81 0.026 10.723 3.250 1.00 0.00 C ATOM 1270 NH1 ARG A 81 1.033 9.924 3.603 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -0.963 10.923 4.095 1.00 0.00 N ATOM 0 H ARG A 81 0.038 8.721 -2.091 1.00 0.00 H new ATOM 0 HA ARG A 81 0.199 11.483 -3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.910 9.831 -1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.204 11.515 -1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.075 12.187 -0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.435 10.520 -0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.529 10.183 1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.804 11.912 1.094 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.716 12.014 1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.818 9.782 2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.018 9.455 4.508 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.726 11.553 3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.966 10.448 4.998 1.00 0.00 H new ATOM 1285 N ILE A 82 1.785 9.236 -4.528 1.00 0.00 N ATOM 1286 CA ILE A 82 2.641 9.042 -5.709 1.00 0.00 C ATOM 1287 C ILE A 82 1.838 9.311 -6.978 1.00 0.00 C ATOM 1288 O ILE A 82 2.284 9.012 -8.091 1.00 0.00 O ATOM 1289 CB ILE A 82 3.274 7.617 -5.797 1.00 0.00 C ATOM 1290 CG1 ILE A 82 2.192 6.526 -5.904 1.00 0.00 C ATOM 1291 CG2 ILE A 82 4.198 7.364 -4.613 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.728 5.120 -6.092 1.00 0.00 C ATOM 0 H ILE A 82 1.255 8.413 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 82 3.464 9.750 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 82 3.871 7.572 -6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.581 6.550 -5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.535 6.765 -6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.628 6.366 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.998 8.105 -4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.630 7.440 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.896 4.419 -6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.314 5.074 -7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.360 4.855 -5.244 1.00 0.00 H new ATOM 1304 N ASN A 83 0.653 9.887 -6.782 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.286 10.232 -7.853 1.00 0.00 C ATOM 1306 C ASN A 83 -0.811 8.967 -8.535 1.00 0.00 C ATOM 1307 O ASN A 83 -0.630 8.733 -9.739 1.00 0.00 O ATOM 1308 CB ASN A 83 0.321 11.240 -8.856 1.00 0.00 C ATOM 1309 CG ASN A 83 -0.659 11.750 -9.916 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -1.907 11.935 -9.562 1.00 0.00 O flip ATOM 1311 ND2 ASN A 83 -0.261 12.034 -11.042 1.00 0.00 N flip ATOM 0 H ASN A 83 0.309 10.133 -5.854 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.140 10.739 -7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.713 12.093 -8.302 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.167 10.769 -9.358 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.716 11.880 -11.292 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.907 12.424 -11.728 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.374 8.124 -7.714 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.012 6.901 -8.116 1.00 0.00 C ATOM 1320 C ARG A 84 -3.193 6.765 -7.154 1.00 0.00 C ATOM 1321 O ARG A 84 -3.492 5.687 -6.619 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.031 5.734 -7.930 1.00 0.00 C ATOM 1323 CG ARG A 84 -1.163 4.590 -8.937 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.571 4.035 -9.062 1.00 0.00 C ATOM 1325 NE ARG A 84 -2.592 2.796 -9.866 1.00 0.00 N ATOM 1326 CZ ARG A 84 -3.602 2.363 -10.646 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -4.607 3.178 -10.978 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -3.540 1.153 -11.168 1.00 0.00 N ATOM 0 H ARG A 84 -1.402 8.277 -6.706 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.327 6.899 -9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.015 6.125 -7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.164 5.328 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.834 4.941 -9.915 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.490 3.783 -8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.974 3.833 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.218 4.781 -9.523 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.758 2.209 -9.827 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.616 4.140 -10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.365 2.838 -11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.734 0.557 -10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.298 0.814 -11.760 1.00 0.00 H new ATOM 1342 N LYS A 85 -3.906 7.874 -7.023 1.00 0.00 N ATOM 1343 CA LYS A 85 -4.998 8.064 -6.085 1.00 0.00 C ATOM 1344 C LYS A 85 -6.144 7.152 -6.455 1.00 0.00 C ATOM 1345 O LYS A 85 -6.982 6.817 -5.626 1.00 0.00 O ATOM 1346 CB LYS A 85 -5.420 9.549 -6.127 1.00 0.00 C ATOM 1347 CG LYS A 85 -6.663 9.902 -5.333 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.054 11.355 -5.542 1.00 0.00 C ATOM 1349 CE LYS A 85 -8.424 11.655 -4.951 1.00 0.00 C ATOM 1350 NZ LYS A 85 -9.500 10.891 -5.638 1.00 0.00 N ATOM 0 H LYS A 85 -3.730 8.701 -7.593 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.689 7.813 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.592 10.154 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.583 9.832 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.486 9.254 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.485 9.719 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.308 12.003 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.059 11.582 -6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.424 11.409 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.629 12.723 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.419 11.339 -5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.322 10.886 -6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.512 9.913 -5.284 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.112 6.711 -7.695 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.080 5.800 -8.252 1.00 0.00 C ATOM 1366 C ASP A 86 -7.170 4.556 -7.398 1.00 0.00 C ATOM 1367 O ASP A 86 -8.231 4.143 -6.960 1.00 0.00 O ATOM 1368 CB ASP A 86 -6.634 5.314 -9.615 1.00 0.00 C ATOM 1369 CG ASP A 86 -6.414 6.367 -10.652 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -5.360 7.036 -10.601 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -7.240 6.478 -11.576 1.00 0.00 O ATOM 0 H ASP A 86 -5.389 6.987 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.028 6.335 -8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.706 4.755 -9.493 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.381 4.614 -9.990 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.003 3.995 -7.134 1.00 0.00 N ATOM 1377 CA LEU A 87 -5.875 2.734 -6.451 1.00 0.00 C ATOM 1378 C LEU A 87 -6.035 2.942 -4.953 1.00 0.00 C ATOM 1379 O LEU A 87 -6.323 2.024 -4.218 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.515 2.146 -6.780 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.277 0.699 -6.449 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -5.248 -0.190 -7.216 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -2.853 0.344 -6.788 1.00 0.00 C ATOM 0 H LEU A 87 -5.110 4.414 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.652 2.042 -6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.343 2.278 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.760 2.737 -6.261 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.445 0.538 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.062 -1.234 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.271 0.071 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.107 -0.044 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.673 -0.704 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.680 0.510 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.174 0.969 -6.208 1.00 0.00 H new ATOM 1395 N TRP A 88 -5.866 4.164 -4.528 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.082 4.543 -3.150 1.00 0.00 C ATOM 1397 C TRP A 88 -7.579 4.510 -2.868 1.00 0.00 C ATOM 1398 O TRP A 88 -8.028 3.986 -1.846 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.510 5.929 -2.930 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.812 6.518 -1.593 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.344 6.102 -0.394 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.637 7.656 -1.328 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.821 6.908 0.602 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.611 7.872 0.056 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.385 8.513 -2.129 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.305 8.913 0.661 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.074 9.543 -1.530 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.030 9.738 -0.147 1.00 0.00 C ATOM 0 H TRP A 88 -5.572 4.934 -5.129 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.584 3.853 -2.469 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.428 5.886 -3.058 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -5.897 6.595 -3.702 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.689 5.256 -0.245 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.617 6.803 1.596 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.424 8.373 -3.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.271 9.063 1.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.660 10.214 -2.141 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.581 10.558 0.290 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.336 5.023 -3.834 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.804 5.002 -3.837 1.00 0.00 C ATOM 1421 C GLU A 89 -10.323 3.556 -3.897 1.00 0.00 C ATOM 1422 O GLU A 89 -11.501 3.288 -3.670 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.310 5.756 -5.066 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.112 7.263 -5.040 1.00 0.00 C ATOM 1425 CD GLU A 89 -11.108 7.969 -4.165 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -12.301 8.026 -4.548 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -10.734 8.509 -3.121 1.00 0.00 O ATOM 0 H GLU A 89 -7.941 5.477 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.164 5.473 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.808 5.357 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.374 5.549 -5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.105 7.486 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.188 7.652 -6.055 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.446 2.650 -4.275 1.00 0.00 N ATOM 1435 CA ARG A 90 -9.763 1.238 -4.336 1.00 0.00 C ATOM 1436 C ARG A 90 -9.354 0.569 -3.038 1.00 0.00 C ATOM 1437 O ARG A 90 -10.033 -0.320 -2.539 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.017 0.568 -5.517 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.269 1.167 -6.913 1.00 0.00 C ATOM 1440 CD ARG A 90 -10.712 1.016 -7.381 1.00 0.00 C ATOM 1441 NE ARG A 90 -11.651 1.693 -6.490 1.00 0.00 N ATOM 1442 CZ ARG A 90 -12.869 1.270 -6.204 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -13.426 0.317 -6.926 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -13.535 1.824 -5.198 1.00 0.00 N ATOM 0 H ARG A 90 -8.489 2.873 -4.550 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.837 1.126 -4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.947 0.612 -5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.294 -0.486 -5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.007 2.225 -6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.608 0.684 -7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.811 1.422 -8.388 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.966 -0.043 -7.438 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.341 2.562 -6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.916 -0.095 -7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.367 -0.008 -6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.106 2.571 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.476 1.503 -4.971 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.251 1.039 -2.500 1.00 0.00 N ATOM 1459 CA GLY A 91 -7.654 0.466 -1.332 1.00 0.00 C ATOM 1460 C GLY A 91 -8.409 0.715 -0.062 1.00 0.00 C ATOM 1461 O GLY A 91 -8.657 -0.218 0.710 1.00 0.00 O ATOM 0 H GLY A 91 -7.743 1.841 -2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.559 -0.610 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.645 0.863 -1.223 1.00 0.00 H new ATOM 1465 N GLN A 92 -8.765 1.947 0.181 1.00 0.00 N ATOM 1466 CA GLN A 92 -9.451 2.254 1.402 1.00 0.00 C ATOM 1467 C GLN A 92 -10.932 2.028 1.249 1.00 0.00 C ATOM 1468 O GLN A 92 -11.480 2.028 0.129 1.00 0.00 O ATOM 1469 CB GLN A 92 -9.178 3.679 1.890 1.00 0.00 C ATOM 1470 CG GLN A 92 -9.620 4.776 0.936 1.00 0.00 C ATOM 1471 CD GLN A 92 -9.545 6.154 1.563 1.00 0.00 C ATOM 1472 OE1 GLN A 92 -8.650 6.341 2.509 1.00 0.00 O flip ATOM 1473 NE2 GLN A 92 -10.314 7.046 1.211 1.00 0.00 N flip ATOM 0 H GLN A 92 -8.595 2.740 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.060 1.576 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -9.682 3.823 2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.109 3.786 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.994 4.751 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.643 4.582 0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.997 6.869 0.474 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.269 7.963 1.656 1.00 0.00 H new ATOM 1482 N ARG A 93 -11.575 1.827 2.342 1.00 0.00 N ATOM 1483 CA ARG A 93 -12.978 1.637 2.356 1.00 0.00 C ATOM 1484 C ARG A 93 -13.581 2.740 3.175 1.00 0.00 C ATOM 1485 O ARG A 93 -12.983 3.191 4.158 1.00 0.00 O ATOM 1486 CB ARG A 93 -13.343 0.288 2.959 1.00 0.00 C ATOM 1487 CG ARG A 93 -12.990 0.163 4.416 1.00 0.00 C ATOM 1488 CD ARG A 93 -13.413 -1.147 4.970 1.00 0.00 C ATOM 1489 NE ARG A 93 -14.867 -1.380 4.872 1.00 0.00 N ATOM 1490 CZ ARG A 93 -15.503 -2.390 5.475 1.00 0.00 C ATOM 1491 NH1 ARG A 93 -14.807 -3.317 6.131 1.00 0.00 N ATOM 1492 NH2 ARG A 93 -16.822 -2.491 5.402 1.00 0.00 N ATOM 0 H ARG A 93 -11.136 1.790 3.262 1.00 0.00 H new ATOM 0 HA ARG A 93 -13.360 1.656 1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.414 0.123 2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -12.834 -0.499 2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.914 0.281 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.467 0.967 4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.888 -1.943 4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -13.112 -1.205 6.016 1.00 0.00 H new ATOM 0 HE ARG A 93 -15.420 -0.732 4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.790 -3.256 6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.291 -4.088 6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -17.359 -1.796 4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -17.301 -3.264 5.864 1.00 0.00 H new ATOM 1506 N GLU A 94 -14.710 3.219 2.784 1.00 0.00 N ATOM 1507 CA GLU A 94 -15.347 4.245 3.574 1.00 0.00 C ATOM 1508 C GLU A 94 -16.581 3.719 4.276 1.00 0.00 C ATOM 1509 O GLU A 94 -17.311 4.488 4.893 1.00 0.00 O ATOM 1510 CB GLU A 94 -15.686 5.478 2.739 1.00 0.00 C ATOM 1511 CG GLU A 94 -14.488 6.153 2.103 1.00 0.00 C ATOM 1512 CD GLU A 94 -14.858 7.413 1.361 1.00 0.00 C ATOM 1513 OE1 GLU A 94 -14.923 8.490 1.993 1.00 0.00 O ATOM 1514 OE2 GLU A 94 -15.062 7.359 0.130 1.00 0.00 O ATOM 0 H GLU A 94 -15.212 2.933 1.943 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.628 4.548 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -16.384 5.189 1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -16.201 6.200 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.758 6.392 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.007 5.458 1.414 1.00 0.00 H new ATOM 1521 N ASP A 95 -16.798 2.395 4.189 1.00 0.00 N ATOM 1522 CA ASP A 95 -17.982 1.716 4.771 1.00 0.00 C ATOM 1523 C ASP A 95 -19.248 2.098 4.027 1.00 0.00 C ATOM 1524 O ASP A 95 -20.366 1.846 4.466 1.00 0.00 O ATOM 1525 CB ASP A 95 -18.112 1.949 6.282 1.00 0.00 C ATOM 1526 CG ASP A 95 -17.248 1.025 7.119 1.00 0.00 C ATOM 1527 OD1 ASP A 95 -17.722 -0.076 7.491 1.00 0.00 O ATOM 1528 OD2 ASP A 95 -16.091 1.389 7.452 1.00 0.00 O ATOM 0 H ASP A 95 -16.159 1.759 3.713 1.00 0.00 H new ATOM 0 HA ASP A 95 -17.831 0.644 4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -17.846 2.982 6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -19.155 1.819 6.572 1.00 0.00 H new ATOM 1533 N LEU A 96 -19.040 2.668 2.875 1.00 0.00 N ATOM 1534 CA LEU A 96 -20.079 3.087 1.990 1.00 0.00 C ATOM 1535 C LEU A 96 -20.282 2.001 0.966 1.00 0.00 C ATOM 1536 O LEU A 96 -19.306 1.500 0.385 1.00 0.00 O ATOM 1537 CB LEU A 96 -19.660 4.392 1.299 1.00 0.00 C ATOM 1538 CG LEU A 96 -20.604 4.941 0.219 1.00 0.00 C ATOM 1539 CD1 LEU A 96 -21.956 5.297 0.798 1.00 0.00 C ATOM 1540 CD2 LEU A 96 -19.986 6.144 -0.459 1.00 0.00 C ATOM 0 H LEU A 96 -18.105 2.859 2.516 1.00 0.00 H new ATOM 0 HA LEU A 96 -21.006 3.263 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -19.539 5.158 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.681 4.237 0.846 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.755 4.157 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -22.600 5.682 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -22.410 4.408 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.833 6.058 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.667 6.522 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.801 6.923 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.044 5.855 -0.925 1.00 0.00 H new ATOM 1552 N VAL A 97 -21.505 1.611 0.763 1.00 0.00 N ATOM 1553 CA VAL A 97 -21.798 0.600 -0.205 1.00 0.00 C ATOM 1554 C VAL A 97 -21.767 1.203 -1.595 1.00 0.00 C ATOM 1555 O VAL A 97 -22.653 1.968 -1.990 1.00 0.00 O ATOM 1556 CB VAL A 97 -23.152 -0.107 0.054 1.00 0.00 C ATOM 1557 CG1 VAL A 97 -23.412 -1.190 -0.995 1.00 0.00 C ATOM 1558 CG2 VAL A 97 -23.183 -0.710 1.454 1.00 0.00 C ATOM 0 H VAL A 97 -22.318 1.980 1.257 1.00 0.00 H new ATOM 0 HA VAL A 97 -21.030 -0.168 -0.118 1.00 0.00 H new ATOM 0 HB VAL A 97 -23.942 0.640 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -24.368 -1.672 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -23.437 -0.738 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -22.616 -1.933 -0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -24.142 -1.202 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -22.379 -1.439 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -23.050 0.080 2.193 1.00 0.00 H new ATOM 1568 N ARG A 98 -20.707 0.920 -2.273 1.00 0.00 N ATOM 1569 CA ARG A 98 -20.502 1.324 -3.634 1.00 0.00 C ATOM 1570 C ARG A 98 -19.902 0.130 -4.310 1.00 0.00 C ATOM 1571 O ARG A 98 -20.468 -0.446 -5.220 1.00 0.00 O ATOM 1572 CB ARG A 98 -19.522 2.509 -3.709 1.00 0.00 C ATOM 1573 CG ARG A 98 -19.354 3.094 -5.110 1.00 0.00 C ATOM 1574 CD ARG A 98 -20.625 3.785 -5.567 1.00 0.00 C ATOM 1575 NE ARG A 98 -20.972 4.908 -4.681 1.00 0.00 N ATOM 1576 CZ ARG A 98 -22.207 5.395 -4.492 1.00 0.00 C ATOM 1577 NH1 ARG A 98 -23.250 4.862 -5.125 1.00 0.00 N ATOM 1578 NH2 ARG A 98 -22.392 6.410 -3.662 1.00 0.00 N ATOM 0 H ARG A 98 -19.930 0.383 -1.888 1.00 0.00 H new ATOM 0 HA ARG A 98 -21.433 1.646 -4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -19.868 3.295 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.548 2.184 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -18.528 3.805 -5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -19.095 2.300 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -20.497 4.149 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -21.445 3.067 -5.586 1.00 0.00 H new ATOM 0 HE ARG A 98 -20.210 5.352 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -23.114 4.076 -5.761 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -24.185 5.240 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -21.597 6.818 -3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -23.329 6.784 -3.515 1.00 0.00 H new ATOM 1592 N ASP A 99 -18.760 -0.254 -3.802 1.00 0.00 N ATOM 1593 CA ASP A 99 -18.087 -1.443 -4.235 1.00 0.00 C ATOM 1594 C ASP A 99 -18.370 -2.517 -3.228 1.00 0.00 C ATOM 1595 O ASP A 99 -18.860 -2.235 -2.121 1.00 0.00 O ATOM 1596 CB ASP A 99 -16.573 -1.232 -4.315 1.00 0.00 C ATOM 1597 CG ASP A 99 -16.150 -0.223 -5.347 1.00 0.00 C ATOM 1598 OD1 ASP A 99 -16.046 0.976 -5.024 1.00 0.00 O ATOM 1599 OD2 ASP A 99 -15.861 -0.607 -6.501 1.00 0.00 O ATOM 0 H ASP A 99 -18.269 0.258 -3.069 1.00 0.00 H new ATOM 0 HA ASP A 99 -18.444 -1.714 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -16.209 -0.912 -3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -16.095 -2.186 -4.537 1.00 0.00 H new ATOM 1604 N THR A 100 -18.117 -3.723 -3.593 1.00 0.00 N ATOM 1605 CA THR A 100 -18.276 -4.845 -2.722 1.00 0.00 C ATOM 1606 C THR A 100 -17.203 -5.864 -3.095 1.00 0.00 C ATOM 1607 O THR A 100 -17.428 -6.755 -3.917 1.00 0.00 O ATOM 1608 CB THR A 100 -19.695 -5.456 -2.868 1.00 0.00 C ATOM 1609 OG1 THR A 100 -20.672 -4.398 -2.756 1.00 0.00 O ATOM 1610 CG2 THR A 100 -19.962 -6.484 -1.776 1.00 0.00 C ATOM 0 H THR A 100 -17.786 -3.969 -4.526 1.00 0.00 H new ATOM 0 HA THR A 100 -18.166 -4.541 -1.681 1.00 0.00 H new ATOM 0 HB THR A 100 -19.763 -5.949 -3.838 1.00 0.00 H new ATOM 0 HG1 THR A 100 -21.573 -4.773 -2.848 1.00 0.00 H new ATOM 0 HG21 THR A 100 -20.963 -6.897 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 100 -19.228 -7.287 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.887 -6.005 -0.800 1.00 0.00 H new ATOM 1618 N VAL A 101 -16.013 -5.667 -2.568 1.00 0.00 N ATOM 1619 CA VAL A 101 -14.872 -6.487 -2.928 1.00 0.00 C ATOM 1620 C VAL A 101 -14.072 -6.955 -1.720 1.00 0.00 C ATOM 1621 O VAL A 101 -13.475 -6.151 -0.983 1.00 0.00 O ATOM 1622 CB VAL A 101 -13.919 -5.787 -3.966 1.00 0.00 C ATOM 1623 CG1 VAL A 101 -14.557 -5.734 -5.343 1.00 0.00 C ATOM 1624 CG2 VAL A 101 -13.550 -4.369 -3.519 1.00 0.00 C ATOM 0 H VAL A 101 -15.808 -4.940 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 101 -15.303 -7.367 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 101 -13.009 -6.385 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -13.877 -5.245 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -14.764 -6.747 -5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -15.489 -5.171 -5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -12.891 -3.914 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -14.456 -3.770 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -13.040 -4.412 -2.556 1.00 0.00 H new ATOM 1634 N GLU A 102 -14.092 -8.240 -1.495 1.00 0.00 N ATOM 1635 CA GLU A 102 -13.273 -8.841 -0.480 1.00 0.00 C ATOM 1636 C GLU A 102 -12.146 -9.558 -1.189 1.00 0.00 C ATOM 1637 O GLU A 102 -11.190 -8.886 -1.612 1.00 0.00 O ATOM 1638 CB GLU A 102 -14.059 -9.835 0.417 1.00 0.00 C ATOM 1639 CG GLU A 102 -15.069 -9.221 1.399 1.00 0.00 C ATOM 1640 CD GLU A 102 -16.271 -8.585 0.748 1.00 0.00 C ATOM 1641 OE1 GLU A 102 -17.269 -9.287 0.504 1.00 0.00 O ATOM 1642 OE2 GLU A 102 -16.261 -7.373 0.511 1.00 0.00 O ATOM 1643 OXT GLU A 102 -12.244 -10.781 -1.404 1.00 0.00 O ATOM 0 H GLU A 102 -14.676 -8.899 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.903 -8.063 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.593 -10.531 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -13.339 -10.420 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.411 -9.999 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.559 -8.470 2.002 1.00 0.00 H new TER 1650 GLU A 102