USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 CYS SG : rot -86:sc= -1.54! USER MOD Set 1.2: A 58 ASN :FLIP amide:sc= -1.76! C(o=-15!,f=-10!) USER MOD Set 1.3: A 63 CYS SG : rot -177:sc= -7! USER MOD Set 2.1: A 48 LYS NZ :NH3+ 174:sc= -0.325 (180deg=-1.67) USER MOD Set 2.2: A 49 ASN : amide:sc= 0.631 K(o=0.31,f=-7.9!) USER MOD Set 3.1: A 40 MET CE :methyl -118:sc= -1.12 (180deg=-2.61!) USER MOD Set 3.2: A 42 TYR OH : rot 88:sc= 0.703 USER MOD Set 3.3: A 66 GLN :FLIP amide:sc= -0.306! C(o=-1.8!,f=-0.72!) USER MOD Set 4.1: A 37 GLN :FLIP amide:sc= 0.372 F(o=-18!,f=-5.9) USER MOD Set 4.2: A 38 LYS NZ :NH3+ -148:sc= 0.934 (180deg=-1.24!) USER MOD Set 4.3: A 75 LYS NZ :NH3+ -132:sc= -7.25! (180deg=-8.6!) USER MOD Set 5.1: A 35 SER OG : rot 120:sc= 0.738 USER MOD Set 5.2: A 44 CYS SG : rot -91:sc= -5.83! USER MOD Set 5.3: A 45 HIS : +bothHN:sc= 0.778 K(o=-4.1,f=-12!) USER MOD Set 5.4: A 60 CYS SG : rot -145:sc= -1.17 USER MOD Set 5.5: A 61 GLN : amide:sc= 1.35 X(o=-4.1,f=-4.6) USER MOD Set 6.1: A 20 TYR OH : rot 26:sc= -3.41! USER MOD Set 6.2: A 29 LYS NZ :NH3+ 152:sc= -1.48 (180deg=-4.65!) USER MOD Set 7.1: A 8 CYS SG : rot -52:sc= 3.59 USER MOD Set 7.2: A 11 CYS SG : rot -76:sc= 0.499 USER MOD Set 7.3: A 25 CYS SG : rot 128:sc= 0.131 USER MOD Set 7.4: A 28 CYS SG : rot 168:sc= 0.379 USER MOD Set 7.5: A 68 CYS SG : rot 88:sc= -0.032 USER MOD Set 8.1: A 6 LYS NZ :NH3+ -163:sc= 0.222 (180deg=-0.14) USER MOD Set 8.2: A 23 SER OG : rot 107:sc= -0.221 USER MOD Set 9.1: A 18 TYR OH : rot 29:sc= -3.21! USER MOD Set 9.2: A 19 HIS : no HD1:sc= -0.765 X(o=-4,f=-3.9!) USER MOD Set10.1: A 12 GLN :FLIP amide:sc= -0.225 F(o=-4.7!,f=-2) USER MOD Set10.2: A 53 ASN :FLIP amide:sc= -0.692! C(o=-21!,f=-2!) USER MOD Set10.3: A 54 LYS NZ :NH3+ 176:sc= -1.06 (180deg=-2.06) USER MOD Single : A 16 SER OG : rot 39:sc= 0.246 USER MOD Single : A 39 ASN : amide:sc= 0.115 K(o=0.12,f=-7.3!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 56 THR OG1 : rot 29:sc= -2.31! USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -133:sc= -0.442 (180deg=-1.02) USER MOD Single : A 73 MET CE :methyl -136:sc= -0.0533 (180deg=-0.386) USER MOD Single : A 74 SER OG : rot -30:sc= 1.07 USER MOD Single : A 77 SER OG : rot 38:sc= 0.653 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.039 8.330 1.025 1.00 0.00 N ATOM 47 CA LYS A 6 6.045 8.070 -0.032 1.00 0.00 C ATOM 48 C LYS A 6 6.364 8.797 -1.357 1.00 0.00 C ATOM 49 O LYS A 6 7.200 9.690 -1.256 1.00 0.00 O ATOM 50 CB LYS A 6 4.808 8.578 0.678 1.00 0.00 C ATOM 51 CG LYS A 6 4.571 10.097 0.668 1.00 0.00 C ATOM 52 CD LYS A 6 5.352 10.982 1.648 1.00 0.00 C ATOM 53 CE LYS A 6 4.802 12.413 1.708 1.00 0.00 C ATOM 54 NZ LYS A 6 4.623 12.994 0.370 1.00 0.00 N ATOM 0 HA LYS A 6 5.978 7.038 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.939 8.097 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.854 8.249 1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.783 10.456 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.509 10.265 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.314 10.539 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.401 11.011 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.847 12.412 2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.482 13.038 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.532 14.027 0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.447 12.763 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.763 12.603 -0.066 1.00 0.00 H new ATOM 55 N PRO A 7 5.573 8.736 -2.449 1.00 0.00 N ATOM 56 CA PRO A 7 4.121 8.666 -2.571 1.00 0.00 C ATOM 57 C PRO A 7 3.613 7.238 -2.536 1.00 0.00 C ATOM 58 O PRO A 7 3.857 6.457 -3.451 1.00 0.00 O ATOM 59 CB PRO A 7 3.829 9.306 -3.915 1.00 0.00 C ATOM 60 CG PRO A 7 5.016 8.926 -4.807 1.00 0.00 C ATOM 61 CD PRO A 7 6.133 8.606 -3.798 1.00 0.00 C ATOM 0 HA PRO A 7 3.623 9.168 -1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.891 8.939 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.735 10.388 -3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.786 8.067 -5.437 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.297 9.743 -5.472 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.514 7.597 -3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.973 9.288 -3.930 1.00 0.00 H new ATOM 62 N CYS A 8 3.064 6.845 -1.402 1.00 0.00 N ATOM 63 CA CYS A 8 2.556 5.470 -1.287 1.00 0.00 C ATOM 64 C CYS A 8 1.514 5.026 -0.254 1.00 0.00 C ATOM 65 O CYS A 8 0.484 4.520 -0.685 1.00 0.00 O ATOM 66 CB CYS A 8 3.717 4.504 -1.375 1.00 0.00 C ATOM 67 SG CYS A 8 3.242 2.748 -1.542 1.00 0.00 S ATOM 0 H CYS A 8 2.955 7.425 -0.570 1.00 0.00 H new ATOM 0 HA CYS A 8 1.872 5.459 -2.136 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.338 4.781 -2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.333 4.616 -0.483 1.00 0.00 H new ATOM 0 HG CYS A 8 2.405 2.433 -0.598 1.00 0.00 H new ATOM 68 N PHE A 9 1.600 5.318 1.036 1.00 0.00 N ATOM 69 CA PHE A 9 2.618 6.065 1.789 1.00 0.00 C ATOM 70 C PHE A 9 3.896 5.340 2.292 1.00 0.00 C ATOM 71 O PHE A 9 4.805 5.977 2.836 1.00 0.00 O ATOM 72 CB PHE A 9 1.853 6.830 2.881 1.00 0.00 C ATOM 73 CG PHE A 9 2.668 7.641 3.862 1.00 0.00 C ATOM 74 CD1 PHE A 9 2.778 8.994 3.521 1.00 0.00 C ATOM 75 CD2 PHE A 9 2.940 7.205 5.177 1.00 0.00 C ATOM 76 CE1 PHE A 9 3.129 9.952 4.465 1.00 0.00 C ATOM 77 CE2 PHE A 9 3.268 8.157 6.169 1.00 0.00 C ATOM 78 CZ PHE A 9 3.334 9.526 5.796 1.00 0.00 C ATOM 0 H PHE A 9 0.865 4.998 1.667 1.00 0.00 H new ATOM 0 HA PHE A 9 3.120 6.718 1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.149 7.502 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.264 6.109 3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.586 9.300 2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.898 6.154 5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.242 10.990 4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.464 7.851 7.186 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.548 10.265 6.554 1.00 0.00 H new ATOM 79 N VAL A 10 4.117 4.208 1.653 1.00 0.00 N ATOM 80 CA VAL A 10 5.015 3.132 2.109 1.00 0.00 C ATOM 81 C VAL A 10 6.204 2.711 1.217 1.00 0.00 C ATOM 82 O VAL A 10 7.339 2.748 1.679 1.00 0.00 O ATOM 83 CB VAL A 10 3.985 2.066 2.435 1.00 0.00 C ATOM 84 CG1 VAL A 10 4.126 0.587 2.098 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.306 2.306 3.788 1.00 0.00 C ATOM 0 H VAL A 10 3.664 3.991 0.765 1.00 0.00 H new ATOM 0 HA VAL A 10 5.655 3.434 2.938 1.00 0.00 H new ATOM 0 HB VAL A 10 3.352 2.282 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.244 0.049 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.223 0.467 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.012 0.185 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.578 1.517 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.057 2.301 4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.799 3.271 3.775 1.00 0.00 H new ATOM 86 N CYS A 11 5.959 2.726 -0.091 1.00 0.00 N ATOM 87 CA CYS A 11 7.012 2.629 -1.108 1.00 0.00 C ATOM 88 C CYS A 11 7.212 4.135 -1.471 1.00 0.00 C ATOM 89 O CYS A 11 6.667 5.029 -0.825 1.00 0.00 O ATOM 90 CB CYS A 11 6.539 1.745 -2.289 1.00 0.00 C ATOM 91 SG CYS A 11 5.801 2.558 -3.759 1.00 0.00 S ATOM 0 H CYS A 11 5.020 2.806 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 11 7.941 2.152 -0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.395 1.162 -2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.806 1.038 -1.900 1.00 0.00 H new ATOM 0 HG CYS A 11 4.585 2.927 -3.486 1.00 0.00 H new ATOM 92 N GLN A 12 7.863 4.497 -2.559 1.00 0.00 N ATOM 93 CA GLN A 12 8.919 5.483 -2.263 1.00 0.00 C ATOM 94 C GLN A 12 9.137 6.664 -3.250 1.00 0.00 C ATOM 95 O GLN A 12 9.130 6.503 -4.464 1.00 0.00 O ATOM 96 CB GLN A 12 10.198 4.756 -1.920 1.00 0.00 C ATOM 97 CG GLN A 12 10.930 5.460 -0.775 1.00 0.00 C ATOM 98 CD GLN A 12 10.368 5.118 0.629 1.00 0.00 C ATOM 99 OE1 GLN A 12 9.063 5.076 0.868 1.00 0.00 O flip ATOM 100 NE2 GLN A 12 11.151 4.943 1.548 1.00 0.00 N flip ATOM 0 H GLN A 12 7.726 4.190 -3.522 1.00 0.00 H new ATOM 0 HA GLN A 12 8.537 6.034 -1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.973 3.728 -1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.843 4.711 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.985 5.189 -0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.872 6.538 -0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.156 4.973 1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.801 4.766 2.490 1.00 0.00 H new ATOM 124 N SER A 16 1.818 11.974 -5.156 1.00 0.00 N ATOM 125 CA SER A 16 1.043 11.959 -6.407 1.00 0.00 C ATOM 126 C SER A 16 -0.465 12.241 -6.227 1.00 0.00 C ATOM 127 O SER A 16 -1.312 11.384 -6.499 1.00 0.00 O ATOM 128 CB SER A 16 1.280 10.622 -7.117 1.00 0.00 C ATOM 129 OG SER A 16 2.676 10.347 -7.203 1.00 0.00 O ATOM 0 HA SER A 16 1.402 12.786 -7.019 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.778 9.821 -6.575 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.846 10.652 -8.117 1.00 0.00 H new ATOM 0 HG SER A 16 3.117 10.629 -6.374 1.00 0.00 H new ATOM 130 N GLY A 17 -0.795 13.452 -5.745 1.00 0.00 N ATOM 131 CA GLY A 17 -2.191 13.916 -5.597 1.00 0.00 C ATOM 132 C GLY A 17 -2.451 15.070 -4.609 1.00 0.00 C ATOM 133 O GLY A 17 -1.936 16.174 -4.807 1.00 0.00 O ATOM 0 H GLY A 17 -0.103 14.139 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.550 14.225 -6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.799 13.065 -5.289 1.00 0.00 H new ATOM 134 N TYR A 18 -3.158 14.847 -3.493 1.00 0.00 N ATOM 135 CA TYR A 18 -3.577 13.514 -3.022 1.00 0.00 C ATOM 136 C TYR A 18 -5.090 13.229 -2.778 1.00 0.00 C ATOM 137 O TYR A 18 -5.892 14.132 -2.579 1.00 0.00 O ATOM 138 CB TYR A 18 -2.771 13.035 -1.794 1.00 0.00 C ATOM 139 CG TYR A 18 -2.408 11.554 -1.977 1.00 0.00 C ATOM 140 CD1 TYR A 18 -1.817 11.204 -3.216 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.190 10.623 -1.263 1.00 0.00 C ATOM 142 CE1 TYR A 18 -2.212 10.025 -3.853 1.00 0.00 C ATOM 143 CE2 TYR A 18 -3.547 9.414 -1.869 1.00 0.00 C ATOM 144 CZ TYR A 18 -3.095 9.156 -3.186 1.00 0.00 C ATOM 145 OH TYR A 18 -3.520 8.041 -3.835 1.00 0.00 O ATOM 0 H TYR A 18 -3.462 15.602 -2.878 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.344 12.933 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.866 13.633 -1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.357 13.169 -0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.069 11.842 -3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.511 10.842 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.846 9.785 -4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.155 8.692 -1.343 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.834 7.753 -4.473 1.00 0.00 H new ATOM 146 N HIS A 19 -5.409 11.952 -2.981 1.00 0.00 N ATOM 147 CA HIS A 19 -6.701 11.265 -2.718 1.00 0.00 C ATOM 148 C HIS A 19 -6.955 10.990 -1.214 1.00 0.00 C ATOM 149 O HIS A 19 -6.393 11.657 -0.340 1.00 0.00 O ATOM 150 CB HIS A 19 -6.601 9.947 -3.517 1.00 0.00 C ATOM 151 CG HIS A 19 -6.362 10.165 -5.003 1.00 0.00 C ATOM 152 ND1 HIS A 19 -7.024 10.997 -5.807 1.00 0.00 N ATOM 153 CD2 HIS A 19 -5.340 9.662 -5.685 1.00 0.00 C ATOM 154 CE1 HIS A 19 -6.412 11.000 -6.991 1.00 0.00 C ATOM 155 NE2 HIS A 19 -5.395 10.158 -6.906 1.00 0.00 N ATOM 0 H HIS A 19 -4.721 11.304 -3.366 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.543 11.887 -3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.790 9.343 -3.110 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.521 9.378 -3.383 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.599 8.972 -5.309 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.693 11.581 -7.857 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -4.754 9.928 -7.666 1.00 0.00 H new ATOM 156 N TYR A 20 -7.698 9.920 -0.920 1.00 0.00 N ATOM 157 CA TYR A 20 -8.168 9.533 0.430 1.00 0.00 C ATOM 158 C TYR A 20 -7.116 9.298 1.535 1.00 0.00 C ATOM 159 O TYR A 20 -6.349 8.344 1.483 1.00 0.00 O ATOM 160 CB TYR A 20 -9.170 8.357 0.375 1.00 0.00 C ATOM 161 CG TYR A 20 -8.891 7.209 -0.601 1.00 0.00 C ATOM 162 CD1 TYR A 20 -7.669 6.493 -0.572 1.00 0.00 C ATOM 163 CD2 TYR A 20 -9.813 7.055 -1.662 1.00 0.00 C ATOM 164 CE1 TYR A 20 -7.342 5.643 -1.632 1.00 0.00 C ATOM 165 CE2 TYR A 20 -9.516 6.164 -2.704 1.00 0.00 C ATOM 166 CZ TYR A 20 -8.288 5.460 -2.665 1.00 0.00 C ATOM 167 OH TYR A 20 -8.000 4.546 -3.618 1.00 0.00 O ATOM 0 H TYR A 20 -8.006 9.267 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.661 10.449 0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.239 7.932 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.151 8.767 0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.994 6.603 0.264 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.735 7.617 -1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.388 5.138 -1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.209 6.018 -3.519 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.395 3.869 -3.249 1.00 0.00 H new ATOM 168 N GLY A 21 -6.905 10.368 2.310 1.00 0.00 N ATOM 169 CA GLY A 21 -6.417 10.294 3.713 1.00 0.00 C ATOM 170 C GLY A 21 -4.904 10.144 3.956 1.00 0.00 C ATOM 171 O GLY A 21 -4.396 10.440 5.032 1.00 0.00 O ATOM 0 H GLY A 21 -7.066 11.323 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.748 11.196 4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.915 9.452 4.194 1.00 0.00 H new ATOM 172 N VAL A 22 -4.219 9.647 2.941 1.00 0.00 N ATOM 173 CA VAL A 22 -2.768 9.349 2.919 1.00 0.00 C ATOM 174 C VAL A 22 -2.075 10.292 1.919 1.00 0.00 C ATOM 175 O VAL A 22 -2.564 11.350 1.549 1.00 0.00 O ATOM 176 CB VAL A 22 -2.669 7.836 2.599 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.181 7.515 1.211 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.340 7.142 2.495 1.00 0.00 C ATOM 0 H VAL A 22 -4.670 9.423 2.054 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.248 9.531 3.859 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.213 7.494 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.093 6.444 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.227 7.812 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.593 8.058 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.497 6.088 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.750 7.603 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.808 7.231 3.442 1.00 0.00 H new ATOM 179 N SER A 23 -0.822 9.929 1.693 1.00 0.00 N ATOM 180 CA SER A 23 -0.048 10.319 0.503 1.00 0.00 C ATOM 181 C SER A 23 0.323 9.034 -0.249 1.00 0.00 C ATOM 182 O SER A 23 0.858 8.086 0.326 1.00 0.00 O ATOM 183 CB SER A 23 1.179 11.107 0.918 1.00 0.00 C ATOM 184 OG SER A 23 1.920 11.529 -0.234 1.00 0.00 O ATOM 0 H SER A 23 -0.295 9.342 2.340 1.00 0.00 H new ATOM 0 HA SER A 23 -0.631 10.965 -0.154 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.879 11.977 1.503 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.812 10.494 1.560 1.00 0.00 H new ATOM 0 HG SER A 23 1.799 12.492 -0.366 1.00 0.00 H new ATOM 185 N ALA A 24 -0.262 8.901 -1.429 1.00 0.00 N ATOM 186 CA ALA A 24 -0.084 7.671 -2.221 1.00 0.00 C ATOM 187 C ALA A 24 0.540 7.812 -3.604 1.00 0.00 C ATOM 188 O ALA A 24 0.648 8.889 -4.188 1.00 0.00 O ATOM 189 CB ALA A 24 -1.357 6.777 -2.229 1.00 0.00 C ATOM 0 H ALA A 24 -0.855 9.609 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 24 0.698 7.151 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.171 5.885 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.603 6.485 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.190 7.334 -2.658 1.00 0.00 H new ATOM 190 N CYS A 25 0.779 6.634 -4.152 1.00 0.00 N ATOM 191 CA CYS A 25 1.618 6.384 -5.325 1.00 0.00 C ATOM 192 C CYS A 25 0.893 6.499 -6.681 1.00 0.00 C ATOM 193 O CYS A 25 1.510 6.327 -7.737 1.00 0.00 O ATOM 194 CB CYS A 25 2.020 4.929 -5.104 1.00 0.00 C ATOM 195 SG CYS A 25 3.118 3.975 -6.207 1.00 0.00 S ATOM 0 H CYS A 25 0.375 5.777 -3.776 1.00 0.00 H new ATOM 0 HA CYS A 25 2.423 7.115 -5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.479 4.890 -4.116 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.089 4.365 -5.045 1.00 0.00 H new ATOM 0 HG CYS A 25 4.076 3.440 -5.509 1.00 0.00 H new ATOM 196 N GLU A 26 -0.363 6.932 -6.595 1.00 0.00 N ATOM 197 CA GLU A 26 -1.382 6.989 -7.680 1.00 0.00 C ATOM 198 C GLU A 26 -1.733 5.574 -8.167 1.00 0.00 C ATOM 199 O GLU A 26 -2.853 5.118 -7.971 1.00 0.00 O ATOM 200 CB GLU A 26 -0.933 7.906 -8.835 1.00 0.00 C ATOM 201 CG GLU A 26 -1.782 9.179 -8.915 1.00 0.00 C ATOM 202 CD GLU A 26 -3.132 8.936 -9.583 1.00 0.00 C ATOM 203 OE1 GLU A 26 -4.084 8.602 -8.834 1.00 0.00 O ATOM 204 OE2 GLU A 26 -3.195 9.093 -10.818 1.00 0.00 O ATOM 0 H GLU A 26 -0.737 7.279 -5.712 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.290 7.431 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.114 8.176 -8.699 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.002 7.363 -9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.942 9.570 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.237 9.942 -9.471 1.00 0.00 H new ATOM 205 N GLY A 27 -0.670 4.836 -8.499 1.00 0.00 N ATOM 206 CA GLY A 27 -0.663 3.380 -8.653 1.00 0.00 C ATOM 207 C GLY A 27 -1.274 2.696 -7.415 1.00 0.00 C ATOM 208 O GLY A 27 -2.209 1.928 -7.572 1.00 0.00 O ATOM 0 H GLY A 27 0.244 5.253 -8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.227 3.101 -9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.359 3.030 -8.800 1.00 0.00 H new ATOM 209 N CYS A 28 -0.916 3.177 -6.216 1.00 0.00 N ATOM 210 CA CYS A 28 -1.493 2.619 -4.975 1.00 0.00 C ATOM 211 C CYS A 28 -2.989 2.821 -4.776 1.00 0.00 C ATOM 212 O CYS A 28 -3.642 1.853 -4.415 1.00 0.00 O ATOM 213 CB CYS A 28 -0.765 2.871 -3.675 1.00 0.00 C ATOM 214 SG CYS A 28 0.871 2.054 -3.701 1.00 0.00 S ATOM 0 H CYS A 28 -0.246 3.933 -6.075 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.322 1.568 -5.210 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.642 3.943 -3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.355 2.494 -2.840 1.00 0.00 H new ATOM 0 HG CYS A 28 1.583 2.477 -2.699 1.00 0.00 H new ATOM 215 N LYS A 29 -3.530 4.000 -5.078 1.00 0.00 N ATOM 216 CA LYS A 29 -4.997 4.230 -5.117 1.00 0.00 C ATOM 217 C LYS A 29 -5.697 3.214 -6.063 1.00 0.00 C ATOM 218 O LYS A 29 -6.658 2.548 -5.668 1.00 0.00 O ATOM 219 CB LYS A 29 -5.158 5.673 -5.604 1.00 0.00 C ATOM 220 CG LYS A 29 -6.590 6.229 -5.667 1.00 0.00 C ATOM 221 CD LYS A 29 -7.339 5.875 -6.960 1.00 0.00 C ATOM 222 CE LYS A 29 -8.857 5.955 -6.793 1.00 0.00 C ATOM 223 NZ LYS A 29 -9.361 4.797 -6.035 1.00 0.00 N ATOM 0 H LYS A 29 -2.978 4.827 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.465 4.085 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.571 6.319 -4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.721 5.746 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.155 5.848 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.553 7.314 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.027 6.553 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.063 4.868 -7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.123 6.877 -6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.334 5.990 -7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.231 5.064 -5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.566 4.016 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.642 4.493 -5.348 1.00 0.00 H new ATOM 224 N GLY A 30 -5.128 3.057 -7.261 1.00 0.00 N ATOM 225 CA GLY A 30 -5.551 2.043 -8.260 1.00 0.00 C ATOM 226 C GLY A 30 -5.519 0.623 -7.681 1.00 0.00 C ATOM 227 O GLY A 30 -6.564 0.002 -7.502 1.00 0.00 O ATOM 0 H GLY A 30 -4.349 3.633 -7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.559 2.272 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.897 2.095 -9.130 1.00 0.00 H new ATOM 228 N PHE A 31 -4.342 0.253 -7.190 1.00 0.00 N ATOM 229 CA PHE A 31 -4.061 -0.993 -6.444 1.00 0.00 C ATOM 230 C PHE A 31 -5.017 -1.272 -5.264 1.00 0.00 C ATOM 231 O PHE A 31 -5.429 -2.406 -5.050 1.00 0.00 O ATOM 232 CB PHE A 31 -2.594 -0.873 -6.010 1.00 0.00 C ATOM 233 CG PHE A 31 -2.101 -1.713 -4.826 1.00 0.00 C ATOM 234 CD1 PHE A 31 -2.355 -1.214 -3.524 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.473 -2.964 -5.020 1.00 0.00 C ATOM 236 CE1 PHE A 31 -2.040 -1.974 -2.410 1.00 0.00 C ATOM 237 CE2 PHE A 31 -1.126 -3.735 -3.884 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.448 -3.247 -2.596 1.00 0.00 C ATOM 0 H PHE A 31 -3.510 0.833 -7.300 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.233 -1.861 -7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.974 -1.122 -6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.405 0.174 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.796 -0.236 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.262 -3.325 -6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.242 -1.602 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.622 -4.683 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.237 -3.861 -1.733 1.00 0.00 H new ATOM 239 N PHE A 32 -5.434 -0.181 -4.637 1.00 0.00 N ATOM 240 CA PHE A 32 -6.130 -0.209 -3.338 1.00 0.00 C ATOM 241 C PHE A 32 -7.521 -0.776 -3.591 1.00 0.00 C ATOM 242 O PHE A 32 -7.789 -1.905 -3.208 1.00 0.00 O ATOM 243 CB PHE A 32 -6.062 1.232 -2.809 1.00 0.00 C ATOM 244 CG PHE A 32 -5.698 1.308 -1.353 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.573 0.577 -0.899 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.587 1.908 -0.460 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.409 0.338 0.482 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.454 1.637 0.898 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.400 0.831 1.367 1.00 0.00 C ATOM 0 H PHE A 32 -5.303 0.759 -5.010 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.696 -0.848 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.330 1.792 -3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.027 1.715 -2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.845 0.205 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.363 2.570 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.553 -0.205 0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.166 2.049 1.598 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.346 0.584 2.417 1.00 0.00 H new ATOM 250 N ARG A 33 -8.221 -0.156 -4.540 1.00 0.00 N ATOM 251 CA ARG A 33 -9.453 -0.769 -5.084 1.00 0.00 C ATOM 252 C ARG A 33 -9.281 -2.044 -5.898 1.00 0.00 C ATOM 253 O ARG A 33 -10.117 -2.936 -5.849 1.00 0.00 O ATOM 254 CB ARG A 33 -10.363 0.206 -5.823 1.00 0.00 C ATOM 255 CG ARG A 33 -9.801 1.000 -7.012 1.00 0.00 C ATOM 256 CD ARG A 33 -10.995 1.666 -7.711 1.00 0.00 C ATOM 257 NE ARG A 33 -11.664 2.638 -6.821 1.00 0.00 N ATOM 258 CZ ARG A 33 -11.946 3.920 -7.086 1.00 0.00 C ATOM 259 NH1 ARG A 33 -11.699 4.480 -8.268 1.00 0.00 N ATOM 260 NH2 ARG A 33 -12.341 4.697 -6.091 1.00 0.00 N ATOM 0 H ARG A 33 -7.973 0.747 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.947 -1.075 -4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.225 -0.357 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.734 0.926 -5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.086 1.749 -6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.270 0.341 -7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.654 2.172 -8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.709 0.903 -8.022 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.942 2.294 -5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.278 3.928 -9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.930 5.461 -8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.425 4.316 -5.149 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.562 5.677 -6.266 1.00 0.00 H new ATOM 261 N ARG A 34 -8.162 -2.149 -6.601 1.00 0.00 N ATOM 262 CA ARG A 34 -7.917 -3.359 -7.399 1.00 0.00 C ATOM 263 C ARG A 34 -7.913 -4.639 -6.580 1.00 0.00 C ATOM 264 O ARG A 34 -8.779 -5.480 -6.793 1.00 0.00 O ATOM 265 CB ARG A 34 -6.601 -3.235 -8.198 1.00 0.00 C ATOM 266 CG ARG A 34 -6.448 -4.330 -9.261 1.00 0.00 C ATOM 267 CD ARG A 34 -5.110 -5.071 -9.125 1.00 0.00 C ATOM 268 NE ARG A 34 -5.170 -6.044 -8.016 1.00 0.00 N ATOM 269 CZ ARG A 34 -4.132 -6.570 -7.376 1.00 0.00 C ATOM 270 NH1 ARG A 34 -2.873 -6.240 -7.645 1.00 0.00 N ATOM 271 NH2 ARG A 34 -4.339 -7.635 -6.618 1.00 0.00 N ATOM 0 H ARG A 34 -7.428 -1.442 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.758 -3.434 -8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.565 -2.258 -8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.757 -3.282 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.269 -5.042 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.519 -3.886 -10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.876 -5.586 -10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.307 -4.355 -8.946 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.098 -6.341 -7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.670 -5.554 -8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.110 -6.673 -7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.276 -8.029 -6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.561 -8.061 -6.114 1.00 0.00 H new ATOM 272 N SER A 35 -7.190 -4.600 -5.463 1.00 0.00 N ATOM 273 CA SER A 35 -7.352 -5.659 -4.461 1.00 0.00 C ATOM 274 C SER A 35 -8.704 -5.553 -3.743 1.00 0.00 C ATOM 275 O SER A 35 -9.647 -6.210 -4.149 1.00 0.00 O ATOM 276 CB SER A 35 -6.210 -5.688 -3.469 1.00 0.00 C ATOM 277 OG SER A 35 -5.027 -6.254 -4.052 1.00 0.00 O ATOM 0 H SER A 35 -6.509 -3.877 -5.230 1.00 0.00 H new ATOM 0 HA SER A 35 -7.333 -6.606 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.999 -4.676 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.500 -6.269 -2.594 1.00 0.00 H new ATOM 0 HG SER A 35 -4.303 -5.594 -4.030 1.00 0.00 H new ATOM 278 N ILE A 36 -8.866 -4.506 -2.941 1.00 0.00 N ATOM 279 CA ILE A 36 -9.950 -4.471 -1.956 1.00 0.00 C ATOM 280 C ILE A 36 -11.367 -4.556 -2.536 1.00 0.00 C ATOM 281 O ILE A 36 -12.119 -5.471 -2.201 1.00 0.00 O ATOM 282 CB ILE A 36 -9.856 -3.268 -1.006 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.499 -3.317 -0.311 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.905 -3.200 0.091 1.00 0.00 C ATOM 285 CD1 ILE A 36 -8.119 -1.904 0.068 1.00 0.00 C ATOM 0 H ILE A 36 -8.270 -3.678 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.790 -5.390 -1.392 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.012 -2.395 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.547 -3.950 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.748 -3.750 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.739 -2.310 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.898 -3.154 -0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.832 -4.087 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.150 -1.909 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.060 -1.290 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.872 -1.493 0.740 1.00 0.00 H new ATOM 286 N GLN A 37 -11.602 -3.706 -3.524 1.00 0.00 N ATOM 287 CA GLN A 37 -12.952 -3.486 -4.027 1.00 0.00 C ATOM 288 C GLN A 37 -13.513 -4.718 -4.756 1.00 0.00 C ATOM 289 O GLN A 37 -14.703 -5.029 -4.663 1.00 0.00 O ATOM 290 CB GLN A 37 -12.866 -2.294 -4.982 1.00 0.00 C ATOM 291 CG GLN A 37 -14.242 -1.734 -5.282 1.00 0.00 C ATOM 292 CD GLN A 37 -14.162 -0.501 -6.177 1.00 0.00 C ATOM 293 OE1 GLN A 37 -13.522 -0.594 -7.330 1.00 0.00 O flip ATOM 294 NE2 GLN A 37 -14.545 0.598 -5.789 1.00 0.00 N flip ATOM 0 H GLN A 37 -10.880 -3.159 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.632 -3.295 -3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.242 -1.516 -4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.385 -2.602 -5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.849 -2.498 -5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.742 -1.475 -4.349 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.040 0.681 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.369 1.428 -6.354 1.00 0.00 H new ATOM 295 N LYS A 38 -12.624 -5.347 -5.518 1.00 0.00 N ATOM 296 CA LYS A 38 -12.935 -6.429 -6.460 1.00 0.00 C ATOM 297 C LYS A 38 -12.188 -7.765 -6.307 1.00 0.00 C ATOM 298 O LYS A 38 -12.816 -8.813 -6.417 1.00 0.00 O ATOM 299 CB LYS A 38 -12.791 -5.831 -7.858 1.00 0.00 C ATOM 300 CG LYS A 38 -11.422 -5.183 -8.137 1.00 0.00 C ATOM 301 CD LYS A 38 -11.401 -4.349 -9.430 1.00 0.00 C ATOM 302 CE LYS A 38 -12.209 -3.051 -9.277 1.00 0.00 C ATOM 303 NZ LYS A 38 -11.539 -2.139 -8.334 1.00 0.00 N ATOM 0 H LYS A 38 -11.631 -5.113 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.949 -6.762 -6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.964 -6.615 -8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.570 -5.082 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.151 -4.545 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.664 -5.963 -8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.371 -4.109 -9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.810 -4.938 -10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.318 -2.566 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.213 -3.280 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.253 -1.578 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.985 -2.693 -7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.906 -1.502 -8.858 1.00 0.00 H new ATOM 304 N ASN A 39 -10.869 -7.715 -6.144 1.00 0.00 N ATOM 305 CA ASN A 39 -10.051 -8.936 -6.185 1.00 0.00 C ATOM 306 C ASN A 39 -9.066 -9.265 -5.035 1.00 0.00 C ATOM 307 O ASN A 39 -7.945 -9.743 -5.261 1.00 0.00 O ATOM 308 CB ASN A 39 -9.440 -9.114 -7.592 1.00 0.00 C ATOM 309 CG ASN A 39 -8.391 -8.085 -8.037 1.00 0.00 C ATOM 310 OD1 ASN A 39 -7.426 -7.754 -7.353 1.00 0.00 O ATOM 311 ND2 ASN A 39 -8.452 -7.729 -9.300 1.00 0.00 N ATOM 0 H ASN A 39 -10.343 -6.856 -5.984 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.784 -9.712 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.984 -10.103 -7.640 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.253 -9.102 -8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.699 -7.178 -9.712 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.253 -8.003 -9.869 1.00 0.00 H new ATOM 312 N MET A 40 -9.494 -9.032 -3.797 1.00 0.00 N ATOM 313 CA MET A 40 -8.761 -9.565 -2.634 1.00 0.00 C ATOM 314 C MET A 40 -9.536 -10.630 -1.872 1.00 0.00 C ATOM 315 O MET A 40 -10.744 -10.547 -1.635 1.00 0.00 O ATOM 316 CB MET A 40 -8.313 -8.451 -1.683 1.00 0.00 C ATOM 317 CG MET A 40 -9.453 -7.713 -0.986 1.00 0.00 C ATOM 318 SD MET A 40 -10.167 -8.521 0.495 1.00 0.00 S ATOM 319 CE MET A 40 -9.401 -7.513 1.745 1.00 0.00 C ATOM 0 H MET A 40 -10.327 -8.490 -3.567 1.00 0.00 H new ATOM 0 HA MET A 40 -7.875 -10.048 -3.047 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.658 -8.880 -0.925 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.720 -7.729 -2.244 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.093 -6.726 -0.696 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.253 -7.560 -1.710 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.761 -8.134 2.372 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.800 -6.738 1.270 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.171 -7.049 2.361 1.00 0.00 H new ATOM 320 N ILE A 41 -8.900 -11.772 -1.914 1.00 0.00 N ATOM 321 CA ILE A 41 -8.511 -12.488 -0.704 1.00 0.00 C ATOM 322 C ILE A 41 -7.028 -12.861 -0.856 1.00 0.00 C ATOM 323 O ILE A 41 -6.584 -13.319 -1.905 1.00 0.00 O ATOM 324 CB ILE A 41 -9.463 -13.612 -0.334 1.00 0.00 C ATOM 325 CG1 ILE A 41 -9.381 -13.823 1.192 1.00 0.00 C ATOM 326 CG2 ILE A 41 -9.276 -14.955 -1.057 1.00 0.00 C ATOM 327 CD1 ILE A 41 -10.217 -12.800 1.972 1.00 0.00 C ATOM 0 H ILE A 41 -8.633 -12.240 -2.780 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.603 -11.854 0.178 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.445 -13.280 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.724 -14.829 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.341 -13.755 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.019 -15.667 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.399 -14.811 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.277 -15.341 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.124 -12.993 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.859 -11.794 1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.263 -12.885 1.677 1.00 0.00 H new ATOM 328 N TYR A 42 -6.290 -12.556 0.195 1.00 0.00 N ATOM 329 CA TYR A 42 -4.808 -12.561 0.207 1.00 0.00 C ATOM 330 C TYR A 42 -4.270 -12.955 1.590 1.00 0.00 C ATOM 331 O TYR A 42 -4.984 -12.897 2.588 1.00 0.00 O ATOM 332 CB TYR A 42 -4.253 -11.173 -0.195 1.00 0.00 C ATOM 333 CG TYR A 42 -4.814 -9.939 0.504 1.00 0.00 C ATOM 334 CD1 TYR A 42 -5.588 -9.961 1.688 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.589 -8.742 -0.202 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.165 -8.765 2.155 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.152 -7.552 0.256 1.00 0.00 C ATOM 338 CZ TYR A 42 -5.944 -7.581 1.429 1.00 0.00 C ATOM 339 OH TYR A 42 -6.478 -6.413 1.868 1.00 0.00 O ATOM 0 H TYR A 42 -6.696 -12.290 1.092 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.474 -13.301 -0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.175 -11.186 -0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.412 -11.049 -1.266 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.735 -10.885 2.228 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.982 -8.746 -1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.765 -8.757 3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.987 -6.625 -0.274 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.861 -5.988 2.499 1.00 0.00 H new ATOM 340 N THR A 43 -3.089 -13.527 1.547 1.00 0.00 N ATOM 341 CA THR A 43 -2.119 -13.263 2.632 1.00 0.00 C ATOM 342 C THR A 43 -0.990 -12.389 2.050 1.00 0.00 C ATOM 343 O THR A 43 -1.016 -12.000 0.880 1.00 0.00 O ATOM 344 CB THR A 43 -1.617 -14.535 3.342 1.00 0.00 C ATOM 345 OG1 THR A 43 -1.103 -14.130 4.611 1.00 0.00 O ATOM 346 CG2 THR A 43 -0.477 -15.263 2.604 1.00 0.00 C ATOM 0 H THR A 43 -2.767 -14.157 0.812 1.00 0.00 H new ATOM 0 HA THR A 43 -2.617 -12.722 3.437 1.00 0.00 H new ATOM 0 HB THR A 43 -2.458 -15.227 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.774 -14.915 5.096 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.183 -16.147 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.819 -15.564 1.614 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.378 -14.594 2.505 1.00 0.00 H new ATOM 347 N CYS A 44 0.037 -12.184 2.858 1.00 0.00 N ATOM 348 CA CYS A 44 1.218 -11.439 2.408 1.00 0.00 C ATOM 349 C CYS A 44 2.218 -12.326 1.680 1.00 0.00 C ATOM 350 O CYS A 44 3.189 -12.822 2.246 1.00 0.00 O ATOM 351 CB CYS A 44 1.832 -10.731 3.585 1.00 0.00 C ATOM 352 SG CYS A 44 2.893 -9.375 2.994 1.00 0.00 S ATOM 0 H CYS A 44 0.085 -12.516 3.821 1.00 0.00 H new ATOM 0 HA CYS A 44 0.906 -10.695 1.675 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.050 -10.338 4.235 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.418 -11.432 4.179 1.00 0.00 H new ATOM 0 HG CYS A 44 4.107 -9.811 2.836 1.00 0.00 H new ATOM 353 N HIS A 45 1.881 -12.560 0.414 1.00 0.00 N ATOM 354 CA HIS A 45 2.764 -13.266 -0.520 1.00 0.00 C ATOM 355 C HIS A 45 3.813 -12.471 -1.278 1.00 0.00 C ATOM 356 O HIS A 45 3.794 -12.226 -2.490 1.00 0.00 O ATOM 357 CB HIS A 45 1.855 -14.158 -1.437 1.00 0.00 C ATOM 358 CG HIS A 45 0.829 -13.336 -2.235 1.00 0.00 C ATOM 359 ND1 HIS A 45 1.124 -12.445 -3.179 1.00 0.00 N ATOM 360 CD2 HIS A 45 -0.492 -13.373 -2.107 1.00 0.00 C ATOM 361 CE1 HIS A 45 -0.002 -11.913 -3.625 1.00 0.00 C ATOM 362 NE2 HIS A 45 -0.997 -12.492 -2.971 1.00 0.00 N ATOM 0 H HIS A 45 0.993 -12.268 0.005 1.00 0.00 H new ATOM 0 HA HIS A 45 3.438 -13.865 0.093 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.483 -14.718 -2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.330 -14.888 -0.821 1.00 0.00 H new ATOM 0 HD1 HIS A 45 2.062 -12.211 -3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.053 -14.000 -1.429 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -0.093 -11.148 -4.382 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.989 -12.296 -3.106 1.00 0.00 H new ATOM 363 N ARG A 46 4.589 -11.810 -0.432 1.00 0.00 N ATOM 364 CA ARG A 46 5.994 -12.194 -0.298 1.00 0.00 C ATOM 365 C ARG A 46 6.158 -12.747 1.139 1.00 0.00 C ATOM 366 O ARG A 46 6.202 -13.958 1.330 1.00 0.00 O ATOM 367 CB ARG A 46 6.956 -11.024 -0.567 1.00 0.00 C ATOM 368 CG ARG A 46 6.659 -10.249 -1.860 1.00 0.00 C ATOM 369 CD ARG A 46 7.147 -10.894 -3.149 1.00 0.00 C ATOM 370 NE ARG A 46 6.845 -9.972 -4.261 1.00 0.00 N ATOM 371 CZ ARG A 46 7.723 -9.273 -4.991 1.00 0.00 C ATOM 372 NH1 ARG A 46 9.030 -9.363 -4.790 1.00 0.00 N ATOM 373 NH2 ARG A 46 7.293 -8.421 -5.901 1.00 0.00 N ATOM 0 H ARG A 46 4.288 -11.032 0.155 1.00 0.00 H new ATOM 0 HA ARG A 46 6.253 -12.945 -1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.914 -10.333 0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.975 -11.409 -0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.581 -10.104 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.109 -9.259 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.218 -11.090 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.655 -11.854 -3.305 1.00 0.00 H new ATOM 0 HE ARG A 46 5.860 -9.855 -4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.393 -9.978 -4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.673 -8.817 -5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.292 -8.295 -6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.962 -7.888 -6.457 1.00 0.00 H new ATOM 374 N ASP A 47 6.336 -11.843 2.091 1.00 0.00 N ATOM 375 CA ASP A 47 6.214 -12.057 3.545 1.00 0.00 C ATOM 376 C ASP A 47 5.552 -10.823 4.177 1.00 0.00 C ATOM 377 O ASP A 47 5.705 -9.731 3.646 1.00 0.00 O ATOM 378 CB ASP A 47 7.573 -12.399 4.167 1.00 0.00 C ATOM 379 CG ASP A 47 8.691 -11.367 3.946 1.00 0.00 C ATOM 380 OD1 ASP A 47 8.389 -10.161 4.030 1.00 0.00 O ATOM 381 OD2 ASP A 47 9.849 -11.801 3.764 1.00 0.00 O ATOM 0 H ASP A 47 6.585 -10.879 1.867 1.00 0.00 H new ATOM 0 HA ASP A 47 5.575 -12.917 3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.436 -12.534 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.904 -13.357 3.765 1.00 0.00 H new ATOM 382 N LYS A 48 5.277 -10.886 5.472 1.00 0.00 N ATOM 383 CA LYS A 48 4.616 -9.777 6.213 1.00 0.00 C ATOM 384 C LYS A 48 5.581 -8.733 6.815 1.00 0.00 C ATOM 385 O LYS A 48 5.167 -7.695 7.341 1.00 0.00 O ATOM 386 CB LYS A 48 3.677 -10.324 7.302 1.00 0.00 C ATOM 387 CG LYS A 48 4.199 -11.590 8.003 1.00 0.00 C ATOM 388 CD LYS A 48 5.404 -11.337 8.912 1.00 0.00 C ATOM 389 CE LYS A 48 6.295 -12.577 8.975 1.00 0.00 C ATOM 390 NZ LYS A 48 6.939 -12.816 7.680 1.00 0.00 N ATOM 0 H LYS A 48 5.497 -11.695 6.052 1.00 0.00 H new ATOM 0 HA LYS A 48 4.039 -9.243 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.515 -9.548 8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.708 -10.543 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.394 -12.025 8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.473 -12.326 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.977 -10.488 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.063 -11.075 9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.054 -12.447 9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.700 -13.445 9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.617 -13.600 7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.217 -13.061 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.441 -11.957 7.378 1.00 0.00 H new ATOM 391 N ASN A 49 6.848 -8.873 6.432 1.00 0.00 N ATOM 392 CA ASN A 49 7.950 -7.926 6.710 1.00 0.00 C ATOM 393 C ASN A 49 8.532 -7.398 5.379 1.00 0.00 C ATOM 394 O ASN A 49 9.732 -7.138 5.216 1.00 0.00 O ATOM 395 CB ASN A 49 9.002 -8.676 7.570 1.00 0.00 C ATOM 396 CG ASN A 49 9.577 -9.927 6.902 1.00 0.00 C ATOM 397 OD1 ASN A 49 8.992 -11.003 6.905 1.00 0.00 O ATOM 398 ND2 ASN A 49 10.656 -9.763 6.159 1.00 0.00 N ATOM 0 H ASN A 49 7.159 -9.682 5.895 1.00 0.00 H new ATOM 0 HA ASN A 49 7.604 -7.053 7.263 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.819 -7.993 7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.545 -8.961 8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.003 -10.533 5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.143 -8.867 6.157 1.00 0.00 H new ATOM 399 N CYS A 50 7.594 -7.136 4.482 1.00 0.00 N ATOM 400 CA CYS A 50 7.802 -6.927 3.034 1.00 0.00 C ATOM 401 C CYS A 50 8.256 -5.465 2.846 1.00 0.00 C ATOM 402 O CYS A 50 7.587 -4.539 3.315 1.00 0.00 O ATOM 403 CB CYS A 50 6.415 -7.202 2.433 1.00 0.00 C ATOM 404 SG CYS A 50 6.225 -8.032 0.830 1.00 0.00 S ATOM 0 H CYS A 50 6.612 -7.057 4.745 1.00 0.00 H new ATOM 0 HA CYS A 50 8.556 -7.559 2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.865 -7.794 3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.907 -6.241 2.354 1.00 0.00 H new ATOM 0 HG CYS A 50 6.283 -7.151 -0.124 1.00 0.00 H new ATOM 405 N VAL A 51 9.371 -5.289 2.146 1.00 0.00 N ATOM 406 CA VAL A 51 10.085 -3.996 2.023 1.00 0.00 C ATOM 407 C VAL A 51 9.947 -3.371 0.638 1.00 0.00 C ATOM 408 O VAL A 51 10.475 -3.875 -0.346 1.00 0.00 O ATOM 409 CB VAL A 51 11.598 -4.209 2.245 1.00 0.00 C ATOM 410 CG1 VAL A 51 12.512 -3.022 1.974 1.00 0.00 C ATOM 411 CG2 VAL A 51 11.825 -4.690 3.658 1.00 0.00 C ATOM 0 H VAL A 51 9.823 -6.047 1.634 1.00 0.00 H new ATOM 0 HA VAL A 51 9.638 -3.338 2.769 1.00 0.00 H new ATOM 0 HB VAL A 51 11.879 -4.944 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.546 -3.307 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.410 -2.715 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.235 -2.193 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.891 -4.843 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.452 -3.945 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.295 -5.630 3.812 1.00 0.00 H new ATOM 412 N ILE A 52 9.441 -2.146 0.699 1.00 0.00 N ATOM 413 CA ILE A 52 9.756 -1.165 -0.344 1.00 0.00 C ATOM 414 C ILE A 52 10.110 0.189 0.243 1.00 0.00 C ATOM 415 O ILE A 52 9.277 0.928 0.739 1.00 0.00 O ATOM 416 CB ILE A 52 8.906 -0.973 -1.597 1.00 0.00 C ATOM 417 CG1 ILE A 52 7.569 -1.710 -1.708 1.00 0.00 C ATOM 418 CG2 ILE A 52 9.779 -1.255 -2.818 1.00 0.00 C ATOM 419 CD1 ILE A 52 7.648 -3.203 -1.488 1.00 0.00 C ATOM 0 H ILE A 52 8.825 -1.809 1.439 1.00 0.00 H new ATOM 0 HA ILE A 52 10.596 -1.709 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 52 8.572 0.063 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.875 -1.286 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.149 -1.524 -2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.189 -1.123 -3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.622 -0.564 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.149 -2.279 -2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.654 -3.638 -1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.313 -3.645 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.035 -3.404 -0.489 1.00 0.00 H new ATOM 420 N ASN A 53 11.419 0.370 0.236 1.00 0.00 N ATOM 421 CA ASN A 53 11.961 1.737 0.294 1.00 0.00 C ATOM 422 C ASN A 53 12.473 2.010 -1.135 1.00 0.00 C ATOM 423 O ASN A 53 11.660 1.945 -2.048 1.00 0.00 O ATOM 424 CB ASN A 53 12.970 1.898 1.440 1.00 0.00 C ATOM 425 CG ASN A 53 14.293 1.170 1.275 1.00 0.00 C ATOM 426 OD1 ASN A 53 15.334 1.946 1.047 1.00 0.00 O flip ATOM 427 ND2 ASN A 53 14.387 -0.049 1.208 1.00 0.00 N flip ATOM 0 H ASN A 53 12.114 -0.376 0.193 1.00 0.00 H new ATOM 0 HA ASN A 53 11.228 2.501 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 53 13.177 2.961 1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.501 1.552 2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.571 -0.634 1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 53 15.281 -0.479 0.973 1.00 0.00 H new ATOM 428 N LYS A 54 13.749 2.337 -1.332 1.00 0.00 N ATOM 429 CA LYS A 54 14.314 2.491 -2.688 1.00 0.00 C ATOM 430 C LYS A 54 15.632 1.832 -3.114 1.00 0.00 C ATOM 431 O LYS A 54 16.560 2.434 -3.651 1.00 0.00 O ATOM 432 CB LYS A 54 14.219 3.956 -3.151 1.00 0.00 C ATOM 433 CG LYS A 54 14.580 5.023 -2.095 1.00 0.00 C ATOM 434 CD LYS A 54 15.901 4.807 -1.344 1.00 0.00 C ATOM 435 CE LYS A 54 15.831 5.260 0.119 1.00 0.00 C ATOM 436 NZ LYS A 54 14.815 4.497 0.860 1.00 0.00 N ATOM 0 H LYS A 54 14.416 2.502 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 54 13.649 1.821 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.875 4.088 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.202 4.143 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.620 5.994 -2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.773 5.070 -1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.166 3.750 -1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.696 5.353 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.805 5.129 0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.596 6.323 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.834 4.775 1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.874 4.696 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.017 3.480 0.779 1.00 0.00 H new ATOM 437 N VAL A 55 15.697 0.556 -2.772 1.00 0.00 N ATOM 438 CA VAL A 55 16.690 -0.425 -3.261 1.00 0.00 C ATOM 439 C VAL A 55 15.966 -1.521 -4.089 1.00 0.00 C ATOM 440 O VAL A 55 16.575 -2.301 -4.820 1.00 0.00 O ATOM 441 CB VAL A 55 17.307 -0.984 -1.966 1.00 0.00 C ATOM 442 CG1 VAL A 55 18.103 -2.266 -2.169 1.00 0.00 C ATOM 443 CG2 VAL A 55 18.148 0.053 -1.201 1.00 0.00 C ATOM 0 H VAL A 55 15.034 0.143 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 55 17.451 -0.006 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 55 16.444 -1.236 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.507 -2.599 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 55 17.451 -3.039 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.922 -2.080 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 55 18.555 -0.403 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.966 0.397 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.520 0.901 -0.928 1.00 0.00 H new ATOM 444 N THR A 56 14.642 -1.424 -4.070 1.00 0.00 N ATOM 445 CA THR A 56 13.790 -2.516 -3.613 1.00 0.00 C ATOM 446 C THR A 56 12.769 -3.214 -4.555 1.00 0.00 C ATOM 447 O THR A 56 12.978 -3.327 -5.756 1.00 0.00 O ATOM 448 CB THR A 56 13.107 -1.943 -2.357 1.00 0.00 C ATOM 449 OG1 THR A 56 12.681 -0.600 -2.481 1.00 0.00 O ATOM 450 CG2 THR A 56 13.931 -2.186 -1.106 1.00 0.00 C ATOM 0 H THR A 56 14.131 -0.593 -4.368 1.00 0.00 H new ATOM 0 HA THR A 56 14.449 -3.374 -3.480 1.00 0.00 H new ATOM 0 HB THR A 56 12.181 -2.507 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.469 -0.409 -3.419 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.414 -1.767 -0.243 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.067 -3.258 -0.962 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.905 -1.708 -1.213 1.00 0.00 H new ATOM 451 N ARG A 57 11.621 -3.622 -3.980 1.00 0.00 N ATOM 452 CA ARG A 57 11.215 -5.026 -3.698 1.00 0.00 C ATOM 453 C ARG A 57 9.789 -5.283 -3.299 1.00 0.00 C ATOM 454 O ARG A 57 8.946 -4.493 -3.704 1.00 0.00 O ATOM 455 CB ARG A 57 12.217 -5.371 -2.577 1.00 0.00 C ATOM 456 CG ARG A 57 12.481 -6.825 -2.165 1.00 0.00 C ATOM 457 CD ARG A 57 13.607 -6.880 -1.133 1.00 0.00 C ATOM 458 NE ARG A 57 13.535 -8.165 -0.419 1.00 0.00 N ATOM 459 CZ ARG A 57 13.675 -8.349 0.901 1.00 0.00 C ATOM 460 NH1 ARG A 57 14.049 -7.374 1.715 1.00 0.00 N ATOM 461 NH2 ARG A 57 13.188 -9.451 1.450 1.00 0.00 N ATOM 0 H ARG A 57 10.911 -2.953 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 57 11.245 -5.641 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 57 13.177 -4.943 -2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 57 11.888 -4.842 -1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.574 -7.264 -1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.750 -7.417 -3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 57 14.574 -6.775 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.515 -6.052 -0.430 1.00 0.00 H new ATOM 0 HE ARG A 57 13.362 -8.996 -0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 57 14.241 -6.444 1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.145 -7.553 2.715 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.715 -10.144 0.870 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.286 -9.607 2.453 1.00 0.00 H new ATOM 462 N ASN A 58 9.521 -6.560 -3.008 1.00 0.00 N ATOM 463 CA ASN A 58 8.491 -7.022 -2.065 1.00 0.00 C ATOM 464 C ASN A 58 7.102 -6.424 -2.336 1.00 0.00 C ATOM 465 O ASN A 58 6.290 -6.167 -1.442 1.00 0.00 O ATOM 466 CB ASN A 58 9.002 -6.627 -0.686 1.00 0.00 C ATOM 467 CG ASN A 58 9.766 -7.711 0.072 1.00 0.00 C ATOM 468 OD1 ASN A 58 10.842 -7.324 0.714 1.00 0.00 O flip ATOM 469 ND2 ASN A 58 9.394 -8.876 0.147 1.00 0.00 N flip ATOM 0 H ASN A 58 10.033 -7.331 -3.437 1.00 0.00 H new ATOM 0 HA ASN A 58 8.344 -8.098 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.652 -5.759 -0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.152 -6.315 -0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.557 -9.177 -0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.921 -9.545 0.709 1.00 0.00 H new ATOM 470 N ARG A 59 6.722 -6.524 -3.593 1.00 0.00 N ATOM 471 CA ARG A 59 5.667 -5.666 -4.141 1.00 0.00 C ATOM 472 C ARG A 59 4.470 -6.602 -4.455 1.00 0.00 C ATOM 473 O ARG A 59 4.400 -7.263 -5.488 1.00 0.00 O ATOM 474 CB ARG A 59 6.358 -4.956 -5.263 1.00 0.00 C ATOM 475 CG ARG A 59 5.488 -4.022 -6.119 1.00 0.00 C ATOM 476 CD ARG A 59 6.406 -3.048 -6.854 1.00 0.00 C ATOM 477 NE ARG A 59 5.629 -1.957 -7.473 1.00 0.00 N ATOM 478 CZ ARG A 59 5.328 -0.778 -6.939 1.00 0.00 C ATOM 479 NH1 ARG A 59 5.694 -0.430 -5.710 1.00 0.00 N ATOM 480 NH2 ARG A 59 4.661 0.117 -7.643 1.00 0.00 N ATOM 0 H ARG A 59 7.120 -7.185 -4.260 1.00 0.00 H new ATOM 0 HA ARG A 59 5.223 -4.892 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.177 -4.371 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.803 -5.705 -5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.899 -4.599 -6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.783 -3.478 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.134 -2.632 -6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.968 -3.580 -7.621 1.00 0.00 H new ATOM 0 HE ARG A 59 5.284 -2.127 -8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.229 -1.080 -5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.440 0.487 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.376 -0.096 -8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.431 1.021 -7.231 1.00 0.00 H new ATOM 481 N CYS A 60 4.007 -7.009 -3.276 1.00 0.00 N ATOM 482 CA CYS A 60 2.862 -7.901 -2.995 1.00 0.00 C ATOM 483 C CYS A 60 1.602 -7.068 -2.685 1.00 0.00 C ATOM 484 O CYS A 60 1.691 -5.874 -2.427 1.00 0.00 O ATOM 485 CB CYS A 60 3.265 -8.674 -1.735 1.00 0.00 C ATOM 486 SG CYS A 60 2.027 -9.664 -0.841 1.00 0.00 S ATOM 0 H CYS A 60 4.455 -6.703 -2.412 1.00 0.00 H new ATOM 0 HA CYS A 60 2.638 -8.550 -3.842 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.078 -9.345 -2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.674 -7.952 -1.029 1.00 0.00 H new ATOM 0 HG CYS A 60 2.265 -9.607 0.436 1.00 0.00 H new ATOM 487 N GLN A 61 0.442 -7.737 -2.613 1.00 0.00 N ATOM 488 CA GLN A 61 -0.806 -7.067 -2.184 1.00 0.00 C ATOM 489 C GLN A 61 -0.856 -6.681 -0.710 1.00 0.00 C ATOM 490 O GLN A 61 -0.564 -5.547 -0.360 1.00 0.00 O ATOM 491 CB GLN A 61 -2.069 -7.897 -2.471 1.00 0.00 C ATOM 492 CG GLN A 61 -2.206 -8.582 -3.829 1.00 0.00 C ATOM 493 CD GLN A 61 -3.373 -9.589 -3.782 1.00 0.00 C ATOM 494 OE1 GLN A 61 -3.196 -10.768 -3.532 1.00 0.00 O ATOM 495 NE2 GLN A 61 -4.587 -9.113 -3.903 1.00 0.00 N ATOM 0 H GLN A 61 0.336 -8.726 -2.841 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.793 -6.159 -2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.139 -8.668 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.931 -7.242 -2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.384 -7.839 -4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.279 -9.095 -4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.729 -8.125 -4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.391 -9.730 -3.788 1.00 0.00 H new ATOM 496 N TYR A 62 -1.087 -7.689 0.137 1.00 0.00 N ATOM 497 CA TYR A 62 -1.444 -7.484 1.550 1.00 0.00 C ATOM 498 C TYR A 62 -0.495 -6.590 2.329 1.00 0.00 C ATOM 499 O TYR A 62 -0.934 -5.622 2.923 1.00 0.00 O ATOM 500 CB TYR A 62 -1.574 -8.924 2.129 1.00 0.00 C ATOM 501 CG TYR A 62 -1.881 -9.059 3.621 1.00 0.00 C ATOM 502 CD1 TYR A 62 -0.966 -8.635 4.614 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.059 -9.762 3.982 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.223 -8.902 5.968 1.00 0.00 C ATOM 505 CE2 TYR A 62 -3.323 -10.041 5.335 1.00 0.00 C ATOM 506 CZ TYR A 62 -2.400 -9.605 6.309 1.00 0.00 C ATOM 507 OH TYR A 62 -2.660 -9.852 7.623 1.00 0.00 O ATOM 0 H TYR A 62 -1.033 -8.671 -0.135 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.373 -6.921 1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.359 -9.440 1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.642 -9.453 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.069 -8.105 4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -3.752 -10.083 3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.535 -8.576 6.734 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.215 -10.578 5.623 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.504 -10.343 7.703 1.00 0.00 H new ATOM 508 N CYS A 63 0.797 -6.731 2.038 1.00 0.00 N ATOM 509 CA CYS A 63 1.831 -5.865 2.622 1.00 0.00 C ATOM 510 C CYS A 63 1.632 -4.379 2.354 1.00 0.00 C ATOM 511 O CYS A 63 1.357 -3.639 3.296 1.00 0.00 O ATOM 512 CB CYS A 63 3.179 -6.285 2.031 1.00 0.00 C ATOM 513 SG CYS A 63 3.253 -6.175 0.213 1.00 0.00 S ATOM 0 H CYS A 63 1.158 -7.439 1.399 1.00 0.00 H new ATOM 0 HA CYS A 63 1.779 -5.991 3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.962 -5.657 2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.394 -7.310 2.332 1.00 0.00 H new ATOM 0 HG CYS A 63 4.405 -6.612 -0.202 1.00 0.00 H new ATOM 514 N ARG A 64 1.572 -3.991 1.082 1.00 0.00 N ATOM 515 CA ARG A 64 1.334 -2.591 0.700 1.00 0.00 C ATOM 516 C ARG A 64 -0.091 -2.177 1.036 1.00 0.00 C ATOM 517 O ARG A 64 -0.206 -1.148 1.691 1.00 0.00 O ATOM 518 CB ARG A 64 1.594 -2.282 -0.764 1.00 0.00 C ATOM 519 CG ARG A 64 2.877 -2.890 -1.371 1.00 0.00 C ATOM 520 CD ARG A 64 4.148 -2.130 -1.014 1.00 0.00 C ATOM 521 NE ARG A 64 4.447 -2.116 0.438 1.00 0.00 N ATOM 522 CZ ARG A 64 5.052 -3.051 1.168 1.00 0.00 C ATOM 523 NH1 ARG A 64 5.578 -4.149 0.668 1.00 0.00 N ATOM 524 NH2 ARG A 64 4.946 -2.988 2.484 1.00 0.00 N ATOM 0 H ARG A 64 1.685 -4.626 0.292 1.00 0.00 H new ATOM 0 HA ARG A 64 2.058 -2.019 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.741 -2.632 -1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.638 -1.199 -0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.974 -3.921 -1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.775 -2.920 -2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.989 -2.577 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.058 -1.103 -1.367 1.00 0.00 H new ATOM 0 HE ARG A 64 4.151 -1.281 0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.536 -4.323 -0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.028 -4.826 1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.410 -2.236 2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.400 -3.692 3.066 1.00 0.00 H new ATOM 525 N LEU A 65 -1.068 -3.073 0.876 1.00 0.00 N ATOM 526 CA LEU A 65 -2.447 -2.749 1.274 1.00 0.00 C ATOM 527 C LEU A 65 -2.474 -2.302 2.740 1.00 0.00 C ATOM 528 O LEU A 65 -2.634 -1.113 2.983 1.00 0.00 O ATOM 529 CB LEU A 65 -3.415 -3.934 1.222 1.00 0.00 C ATOM 530 CG LEU A 65 -4.370 -4.131 0.079 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.945 -2.828 -0.475 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.761 -4.852 -1.103 1.00 0.00 C ATOM 0 H LEU A 65 -0.940 -4.006 0.484 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.760 -1.984 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.809 -4.838 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.016 -3.889 2.130 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.156 -4.733 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.625 -3.051 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.487 -2.305 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.133 -2.197 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.509 -4.958 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.915 -4.279 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.420 -5.839 -0.791 1.00 0.00 H new ATOM 533 N GLN A 66 -1.881 -3.156 3.570 1.00 0.00 N ATOM 534 CA GLN A 66 -1.959 -3.114 5.039 1.00 0.00 C ATOM 535 C GLN A 66 -0.959 -2.164 5.732 1.00 0.00 C ATOM 536 O GLN A 66 -1.300 -1.517 6.709 1.00 0.00 O ATOM 537 CB GLN A 66 -2.010 -4.530 5.592 1.00 0.00 C ATOM 538 CG GLN A 66 -3.475 -4.991 5.637 1.00 0.00 C ATOM 539 CD GLN A 66 -4.011 -5.550 4.315 1.00 0.00 C ATOM 540 OE1 GLN A 66 -5.010 -4.895 3.748 1.00 0.00 O flip ATOM 541 NE2 GLN A 66 -3.638 -6.601 3.837 1.00 0.00 N flip ATOM 0 H GLN A 66 -1.309 -3.929 3.231 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.899 -2.629 5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.422 -5.201 4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.574 -4.561 6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.578 -5.755 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.098 -4.149 5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.868 -7.113 4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.094 -6.973 3.004 1.00 0.00 H new ATOM 542 N LYS A 67 0.224 -2.028 5.145 1.00 0.00 N ATOM 543 CA LYS A 67 1.185 -0.998 5.556 1.00 0.00 C ATOM 544 C LYS A 67 0.879 0.411 5.050 1.00 0.00 C ATOM 545 O LYS A 67 0.968 1.369 5.817 1.00 0.00 O ATOM 546 CB LYS A 67 2.631 -1.467 5.311 1.00 0.00 C ATOM 547 CG LYS A 67 3.014 -2.447 6.437 1.00 0.00 C ATOM 548 CD LYS A 67 4.328 -3.210 6.241 1.00 0.00 C ATOM 549 CE LYS A 67 4.171 -4.421 5.327 1.00 0.00 C ATOM 550 NZ LYS A 67 5.373 -5.279 5.394 1.00 0.00 N ATOM 0 H LYS A 67 0.547 -2.619 4.379 1.00 0.00 H new ATOM 0 HA LYS A 67 1.068 -0.880 6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.714 -1.953 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.311 -0.615 5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.076 -1.890 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.208 -3.172 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.076 -2.537 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.702 -3.537 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.291 -4.994 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.009 -4.091 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.672 -5.533 4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.141 -4.764 5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.153 -6.144 5.927 1.00 0.00 H new ATOM 551 N CYS A 68 0.313 0.525 3.844 1.00 0.00 N ATOM 552 CA CYS A 68 -0.316 1.780 3.386 1.00 0.00 C ATOM 553 C CYS A 68 -1.599 2.086 4.181 1.00 0.00 C ATOM 554 O CYS A 68 -1.836 3.221 4.569 1.00 0.00 O ATOM 555 CB CYS A 68 -0.568 1.791 1.878 1.00 0.00 C ATOM 556 SG CYS A 68 0.907 1.669 0.806 1.00 0.00 S ATOM 0 H CYS A 68 0.275 -0.234 3.163 1.00 0.00 H new ATOM 0 HA CYS A 68 0.396 2.581 3.585 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -1.235 0.963 1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.098 2.710 1.627 1.00 0.00 H new ATOM 0 HG CYS A 68 1.182 0.417 0.588 1.00 0.00 H new ATOM 557 N PHE A 69 -2.360 1.032 4.504 1.00 0.00 N ATOM 558 CA PHE A 69 -3.452 1.023 5.508 1.00 0.00 C ATOM 559 C PHE A 69 -3.149 1.499 6.924 1.00 0.00 C ATOM 560 O PHE A 69 -4.063 1.879 7.663 1.00 0.00 O ATOM 561 CB PHE A 69 -4.123 -0.341 5.633 1.00 0.00 C ATOM 562 CG PHE A 69 -5.315 -0.567 4.715 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.399 0.340 4.867 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.445 -1.717 3.893 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.588 0.127 4.159 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.629 -1.950 3.206 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.649 -1.001 3.302 1.00 0.00 C ATOM 0 H PHE A 69 -2.233 0.122 4.060 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.102 1.780 5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.380 -1.113 5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.450 -0.473 6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.306 1.190 5.526 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.623 -2.411 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.428 0.798 4.262 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.758 -2.843 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.530 -1.133 2.692 1.00 0.00 H new ATOM 568 N GLU A 70 -1.894 1.363 7.352 1.00 0.00 N ATOM 569 CA GLU A 70 -1.418 2.028 8.581 1.00 0.00 C ATOM 570 C GLU A 70 -1.674 3.541 8.580 1.00 0.00 C ATOM 571 O GLU A 70 -1.934 4.151 9.612 1.00 0.00 O ATOM 572 CB GLU A 70 0.073 1.765 8.741 1.00 0.00 C ATOM 573 CG GLU A 70 0.278 0.281 9.070 1.00 0.00 C ATOM 574 CD GLU A 70 1.736 -0.043 9.398 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.596 0.178 8.512 1.00 0.00 O ATOM 576 OE2 GLU A 70 1.968 -0.546 10.519 1.00 0.00 O ATOM 0 H GLU A 70 -1.187 0.804 6.875 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.980 1.612 9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.603 2.026 7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.484 2.388 9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.352 0.008 9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.045 -0.325 8.224 1.00 0.00 H new ATOM 577 N VAL A 71 -1.761 4.068 7.367 1.00 0.00 N ATOM 578 CA VAL A 71 -2.099 5.469 7.060 1.00 0.00 C ATOM 579 C VAL A 71 -3.452 5.423 6.294 1.00 0.00 C ATOM 580 O VAL A 71 -3.525 5.798 5.120 1.00 0.00 O ATOM 581 CB VAL A 71 -0.914 6.075 6.268 1.00 0.00 C ATOM 582 CG1 VAL A 71 -1.119 7.571 6.040 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.419 5.926 7.001 1.00 0.00 C ATOM 0 H VAL A 71 -1.592 3.515 6.527 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.235 6.113 7.929 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.883 5.526 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.274 7.973 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.037 7.730 5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.193 8.079 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.215 6.368 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.364 6.435 7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.630 4.869 7.162 1.00 0.00 H new ATOM 584 N GLY A 72 -4.378 4.666 6.910 1.00 0.00 N ATOM 585 CA GLY A 72 -5.763 4.310 6.509 1.00 0.00 C ATOM 586 C GLY A 72 -6.420 5.152 5.424 1.00 0.00 C ATOM 587 O GLY A 72 -7.439 5.818 5.588 1.00 0.00 O ATOM 0 H GLY A 72 -4.153 4.236 7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.760 3.273 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.393 4.356 7.398 1.00 0.00 H new ATOM 588 N MET A 73 -5.918 4.764 4.280 1.00 0.00 N ATOM 589 CA MET A 73 -6.344 5.225 2.955 1.00 0.00 C ATOM 590 C MET A 73 -7.724 4.610 2.763 1.00 0.00 C ATOM 591 O MET A 73 -7.940 3.434 3.068 1.00 0.00 O ATOM 592 CB MET A 73 -5.471 4.546 1.880 1.00 0.00 C ATOM 593 CG MET A 73 -4.199 3.818 2.323 1.00 0.00 C ATOM 594 SD MET A 73 -2.649 4.277 1.472 1.00 0.00 S ATOM 595 CE MET A 73 -2.976 3.938 -0.245 1.00 0.00 C ATOM 0 H MET A 73 -5.161 4.083 4.229 1.00 0.00 H new ATOM 0 HA MET A 73 -6.298 6.311 2.879 1.00 0.00 H new ATOM 0 HB2 MET A 73 -6.097 3.827 1.351 1.00 0.00 H new ATOM 0 HB3 MET A 73 -5.181 5.309 1.158 1.00 0.00 H new ATOM 0 HG2 MET A 73 -4.064 3.989 3.391 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.356 2.748 2.189 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.118 3.430 -0.685 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.857 3.301 -0.329 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.154 4.875 -0.773 1.00 0.00 H new ATOM 596 N SER A 74 -8.609 5.353 2.114 1.00 0.00 N ATOM 597 CA SER A 74 -9.944 4.805 1.875 1.00 0.00 C ATOM 598 C SER A 74 -10.349 4.381 0.473 1.00 0.00 C ATOM 599 O SER A 74 -11.294 4.842 -0.153 1.00 0.00 O ATOM 600 CB SER A 74 -11.018 5.668 2.568 1.00 0.00 C ATOM 601 OG SER A 74 -10.860 5.637 3.980 1.00 0.00 O ATOM 0 H SER A 74 -8.444 6.294 1.756 1.00 0.00 H new ATOM 0 HA SER A 74 -9.869 3.822 2.340 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.949 6.696 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.010 5.305 2.301 1.00 0.00 H new ATOM 0 HG SER A 74 -10.476 4.776 4.247 1.00 0.00 H new ATOM 602 N LYS A 75 -9.591 3.357 0.089 1.00 0.00 N ATOM 603 CA LYS A 75 -10.211 2.058 -0.224 1.00 0.00 C ATOM 604 C LYS A 75 -10.041 1.222 1.041 1.00 0.00 C ATOM 605 O LYS A 75 -9.054 0.549 1.246 1.00 0.00 O ATOM 606 CB LYS A 75 -9.729 1.432 -1.522 1.00 0.00 C ATOM 607 CG LYS A 75 -9.895 2.375 -2.736 1.00 0.00 C ATOM 608 CD LYS A 75 -11.269 2.988 -2.986 1.00 0.00 C ATOM 609 CE LYS A 75 -12.260 1.989 -3.578 1.00 0.00 C ATOM 610 NZ LYS A 75 -13.514 2.618 -3.991 1.00 0.00 N ATOM 0 H LYS A 75 -8.577 3.390 -0.013 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.271 2.155 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.679 1.158 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.283 0.511 -1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.181 3.191 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.609 1.821 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.666 3.375 -2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.166 3.836 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.804 1.497 -4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.472 1.214 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.316 2.067 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.558 3.586 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.561 2.649 -5.029 1.00 0.00 H new ATOM 611 N GLU A 76 -11.124 1.171 1.785 1.00 0.00 N ATOM 612 CA GLU A 76 -11.087 1.050 3.249 1.00 0.00 C ATOM 613 C GLU A 76 -11.575 -0.379 3.615 1.00 0.00 C ATOM 614 O GLU A 76 -10.824 -1.339 3.512 1.00 0.00 O ATOM 615 CB GLU A 76 -11.989 2.176 3.725 1.00 0.00 C ATOM 616 CG GLU A 76 -11.987 2.422 5.251 1.00 0.00 C ATOM 617 CD GLU A 76 -10.615 2.671 5.880 1.00 0.00 C ATOM 618 OE1 GLU A 76 -9.808 3.433 5.286 1.00 0.00 O ATOM 619 OE2 GLU A 76 -10.405 2.108 6.979 1.00 0.00 O ATOM 0 H GLU A 76 -12.068 1.212 1.401 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.108 1.151 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.689 3.097 3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.010 1.960 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.625 3.280 5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.440 1.560 5.740 1.00 0.00 H new ATOM 620 N SER A 77 -12.873 -0.513 3.873 1.00 0.00 N ATOM 621 CA SER A 77 -13.600 -1.790 3.795 1.00 0.00 C ATOM 622 C SER A 77 -14.507 -1.626 2.578 1.00 0.00 C ATOM 623 O SER A 77 -15.668 -1.216 2.620 1.00 0.00 O ATOM 624 CB SER A 77 -14.393 -2.007 5.086 1.00 0.00 C ATOM 625 OG SER A 77 -15.270 -0.907 5.313 1.00 0.00 O ATOM 0 H SER A 77 -13.465 0.271 4.147 1.00 0.00 H new ATOM 0 HA SER A 77 -12.954 -2.661 3.691 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.967 -2.931 5.019 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.709 -2.117 5.928 1.00 0.00 H new ATOM 0 HG SER A 77 -15.646 -0.607 4.459 1.00 0.00 H new ATOM 626 N VAL A 78 -13.831 -1.802 1.456 1.00 0.00 N ATOM 627 CA VAL A 78 -14.278 -1.316 0.151 1.00 0.00 C ATOM 628 C VAL A 78 -14.704 -2.392 -0.829 1.00 0.00 C ATOM 629 O VAL A 78 -13.993 -3.366 -1.055 1.00 0.00 O ATOM 630 CB VAL A 78 -13.223 -0.328 -0.335 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.423 -0.675 -1.571 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.621 1.142 -0.215 1.00 0.00 C ATOM 0 H VAL A 78 -12.939 -2.295 1.420 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.229 -0.793 0.247 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.457 -0.482 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.717 0.127 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.877 -1.603 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.098 -0.800 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.810 1.770 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.519 1.325 -0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.818 1.381 0.830 1.00 0.00 H new ATOM 633 N ARG A 79 -15.958 -2.298 -1.217 1.00 0.00 N ATOM 634 CA ARG A 79 -16.965 -1.352 -0.669 1.00 0.00 C ATOM 635 C ARG A 79 -18.022 -2.159 0.109 1.00 0.00 C ATOM 636 O ARG A 79 -19.207 -2.263 -0.226 1.00 0.00 O ATOM 637 CB ARG A 79 -17.572 -0.495 -1.790 1.00 0.00 C ATOM 638 CG ARG A 79 -16.581 0.579 -2.198 1.00 0.00 C ATOM 639 CD ARG A 79 -17.277 1.833 -2.750 1.00 0.00 C ATOM 640 NE ARG A 79 -16.279 2.889 -3.018 1.00 0.00 N ATOM 641 CZ ARG A 79 -15.883 3.860 -2.192 1.00 0.00 C ATOM 642 NH1 ARG A 79 -16.445 4.062 -1.003 1.00 0.00 N ATOM 643 NH2 ARG A 79 -14.838 4.606 -2.490 1.00 0.00 N ATOM 0 H ARG A 79 -16.341 -2.893 -1.952 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.495 -0.651 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -17.820 -1.121 -2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -18.501 -0.037 -1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.971 0.854 -1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.905 0.179 -2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.814 1.587 -3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.016 2.193 -2.035 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.843 2.874 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -17.209 3.463 -0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -16.111 4.816 -0.403 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.326 4.443 -3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.542 5.346 -1.854 1.00 0.00 H new ATOM 644 N ASN A 80 -17.461 -2.843 1.089 1.00 0.00 N ATOM 645 CA ASN A 80 -18.039 -4.015 1.773 1.00 0.00 C ATOM 646 C ASN A 80 -17.923 -4.005 3.313 1.00 0.00 C ATOM 647 O ASN A 80 -18.257 -5.038 3.923 1.00 0.00 O ATOM 648 CB ASN A 80 -17.381 -5.230 1.100 1.00 0.00 C ATOM 649 CG ASN A 80 -15.846 -5.239 1.126 1.00 0.00 C ATOM 650 OD1 ASN A 80 -15.180 -4.623 1.955 1.00 0.00 O ATOM 651 ND2 ASN A 80 -15.264 -5.841 0.114 1.00 0.00 N ATOM 652 OXT ASN A 80 -17.526 -2.942 3.850 1.00 0.00 O ATOM 0 H ASN A 80 -16.543 -2.594 1.458 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.123 -4.028 1.657 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -17.742 -6.135 1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.711 -5.274 0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.250 -5.800 0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.826 -6.350 -0.569 1.00 0.00 H new