USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 654 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 29 CYS SG : rot -138:sc= 0.908 USER MOD Set 1.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 79 GLN : amide:sc= -4.81 K(o=-7.8,f=-19!) USER MOD Set 2.2: A 100 ASN : amide:sc= -2.94 K(o=-7.8,f=-16!) USER MOD Set 3.1: A 34 SER OG : rot -96:sc= 2.15 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= 0.151 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0714) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.768 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -116:sc= 0.271 (180deg=0) USER MOD Single : A 62 MET CE :methyl -165:sc= -0.383 (180deg=-1.16) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -15.4! C(o=-15!,f=-17!) USER MOD Single : A 66 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.011) USER MOD Single : A 75 TYR OH : rot 136:sc= 0.253 USER MOD Single : A 82 SER OG : rot 180:sc= -1.68 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -152:sc= 0.0407 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.607 K(o=0.61,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.744 K(o=-0.74,f=-1.6!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -42:sc= 0.277 USER MOD Single : A 104 ASN : amide:sc= 0.208 K(o=0.21,f=-2!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N ASP A 27 65.208 0.061 -14.352 1.00 0.00 N ATOM 58 CA ASP A 27 66.654 0.219 -14.226 1.00 0.00 C ATOM 59 C ASP A 27 67.083 -0.081 -12.777 1.00 0.00 C ATOM 60 O ASP A 27 66.920 0.740 -11.883 1.00 0.00 O ATOM 61 CB ASP A 27 67.046 1.671 -14.583 1.00 0.00 C ATOM 62 CG ASP A 27 67.356 1.859 -16.081 1.00 0.00 C ATOM 63 OD1 ASP A 27 68.130 1.072 -16.629 1.00 0.00 O ATOM 64 OD2 ASP A 27 66.815 2.784 -16.687 1.00 0.00 O ATOM 0 HA ASP A 27 67.153 -0.473 -14.904 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.235 2.341 -14.298 1.00 0.00 H new ATOM 0 HB3 ASP A 27 67.919 1.960 -13.998 1.00 0.00 H new ATOM 69 N CYS A 28 67.661 -1.294 -12.618 1.00 0.00 N ATOM 70 CA CYS A 28 68.122 -1.759 -11.314 1.00 0.00 C ATOM 71 C CYS A 28 69.437 -2.549 -11.488 1.00 0.00 C ATOM 72 O CYS A 28 69.735 -3.049 -12.565 1.00 0.00 O ATOM 73 CB CYS A 28 67.018 -2.631 -10.708 1.00 0.00 C ATOM 74 SG CYS A 28 66.467 -3.917 -11.859 1.00 0.00 S ATOM 0 H CYS A 28 67.813 -1.956 -13.379 1.00 0.00 H new ATOM 0 HA CYS A 28 68.325 -0.923 -10.644 1.00 0.00 H new ATOM 0 HB2 CYS A 28 67.384 -3.095 -9.792 1.00 0.00 H new ATOM 0 HB3 CYS A 28 66.171 -2.004 -10.431 1.00 0.00 H new ATOM 0 HG CYS A 28 65.535 -4.629 -11.300 1.00 0.00 H new ATOM 80 N CYS A 29 70.205 -2.610 -10.371 1.00 0.00 N ATOM 81 CA CYS A 29 71.531 -3.232 -10.375 1.00 0.00 C ATOM 82 C CYS A 29 71.789 -3.934 -9.042 1.00 0.00 C ATOM 83 O CYS A 29 71.234 -3.558 -8.029 1.00 0.00 O ATOM 84 CB CYS A 29 72.596 -2.150 -10.571 1.00 0.00 C ATOM 85 SG CYS A 29 73.631 -2.513 -12.007 1.00 0.00 S ATOM 0 H CYS A 29 69.921 -2.235 -9.466 1.00 0.00 H new ATOM 0 HA CYS A 29 71.575 -3.961 -11.184 1.00 0.00 H new ATOM 0 HB2 CYS A 29 72.115 -1.180 -10.701 1.00 0.00 H new ATOM 0 HB3 CYS A 29 73.218 -2.081 -9.678 1.00 0.00 H new ATOM 0 HG CYS A 29 74.875 -2.270 -11.718 1.00 0.00 H new ATOM 91 N ILE A 30 72.662 -4.957 -9.075 1.00 0.00 N ATOM 92 CA ILE A 30 72.973 -5.685 -7.847 1.00 0.00 C ATOM 93 C ILE A 30 74.317 -5.181 -7.303 1.00 0.00 C ATOM 94 O ILE A 30 75.325 -5.153 -7.994 1.00 0.00 O ATOM 95 CB ILE A 30 73.011 -7.189 -8.148 1.00 0.00 C ATOM 96 CG1 ILE A 30 71.614 -7.716 -8.538 1.00 0.00 C ATOM 97 CG2 ILE A 30 73.610 -8.010 -6.988 1.00 0.00 C ATOM 98 CD1 ILE A 30 71.657 -8.552 -9.816 1.00 0.00 C ATOM 0 H ILE A 30 73.146 -5.285 -9.911 1.00 0.00 H new ATOM 0 HA ILE A 30 72.209 -5.514 -7.089 1.00 0.00 H new ATOM 0 HB ILE A 30 73.676 -7.320 -9.002 1.00 0.00 H new ATOM 0 HG12 ILE A 30 71.213 -8.319 -7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 30 70.934 -6.875 -8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.613 -9.067 -7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.632 -7.681 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 30 73.009 -7.863 -6.090 1.00 0.00 H new ATOM 0 HD11 ILE A 30 70.653 -8.903 -10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 30 72.033 -7.942 -10.637 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.316 -9.408 -9.669 1.00 0.00 H new ATOM 110 N ILE A 31 74.238 -4.801 -6.016 1.00 0.00 N ATOM 111 CA ILE A 31 75.362 -4.283 -5.259 1.00 0.00 C ATOM 112 C ILE A 31 75.649 -5.234 -4.089 1.00 0.00 C ATOM 113 O ILE A 31 74.793 -5.981 -3.634 1.00 0.00 O ATOM 114 CB ILE A 31 74.989 -2.878 -4.763 1.00 0.00 C ATOM 115 CG1 ILE A 31 73.625 -2.870 -4.062 1.00 0.00 C ATOM 116 CG2 ILE A 31 74.972 -1.877 -5.923 1.00 0.00 C ATOM 117 CD1 ILE A 31 73.545 -1.847 -2.932 1.00 0.00 C ATOM 0 H ILE A 31 73.374 -4.851 -5.476 1.00 0.00 H new ATOM 0 HA ILE A 31 76.262 -4.216 -5.870 1.00 0.00 H new ATOM 0 HB ILE A 31 75.751 -2.581 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 31 72.847 -2.656 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 31 73.422 -3.863 -3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 31 74.705 -0.889 -5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 31 75.959 -1.836 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 31 74.239 -2.193 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 31 72.557 -1.888 -2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 31 74.303 -2.074 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 31 73.718 -0.848 -3.333 1.00 0.00 H new ATOM 129 N ARG A 32 76.914 -5.146 -3.647 1.00 0.00 N ATOM 130 CA ARG A 32 77.404 -5.945 -2.539 1.00 0.00 C ATOM 131 C ARG A 32 77.669 -4.987 -1.370 1.00 0.00 C ATOM 132 O ARG A 32 78.282 -3.953 -1.566 1.00 0.00 O ATOM 133 CB ARG A 32 78.711 -6.589 -3.008 1.00 0.00 C ATOM 134 CG ARG A 32 79.462 -7.298 -1.886 1.00 0.00 C ATOM 135 CD ARG A 32 80.991 -7.184 -2.053 1.00 0.00 C ATOM 136 NE ARG A 32 81.370 -7.581 -3.389 1.00 0.00 N ATOM 137 CZ ARG A 32 80.992 -8.803 -3.809 1.00 0.00 C ATOM 138 NH1 ARG A 32 80.761 -9.786 -2.938 1.00 0.00 N ATOM 139 NH2 ARG A 32 80.803 -8.999 -5.103 1.00 0.00 N ATOM 0 H ARG A 32 77.612 -4.521 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 32 76.700 -6.715 -2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 32 78.493 -7.305 -3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 32 79.354 -5.821 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 32 79.169 -6.871 -0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 32 79.177 -8.350 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 32 81.311 -6.159 -1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 32 81.494 -7.815 -1.320 1.00 0.00 H new ATOM 0 HE ARG A 32 81.905 -6.957 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 32 80.870 -9.617 -1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 32 80.475 -10.706 -3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 32 80.944 -8.232 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 32 80.516 -9.917 -5.443 1.00 0.00 H new ATOM 153 N VAL A 33 77.200 -5.387 -0.164 1.00 0.00 N ATOM 154 CA VAL A 33 77.323 -4.551 1.025 1.00 0.00 C ATOM 155 C VAL A 33 77.826 -5.353 2.244 1.00 0.00 C ATOM 156 O VAL A 33 77.167 -6.262 2.726 1.00 0.00 O ATOM 157 CB VAL A 33 75.975 -3.888 1.337 1.00 0.00 C ATOM 158 CG1 VAL A 33 76.151 -2.559 2.084 1.00 0.00 C ATOM 159 CG2 VAL A 33 75.134 -3.659 0.087 1.00 0.00 C ATOM 0 H VAL A 33 76.737 -6.281 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 33 78.066 -3.781 0.817 1.00 0.00 H new ATOM 0 HB VAL A 33 75.445 -4.589 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 33 75.173 -2.123 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 33 76.670 -2.737 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 33 76.736 -1.872 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 33 74.191 -3.188 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 33 75.675 -3.010 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 33 74.933 -4.615 -0.397 1.00 0.00 H new ATOM 169 N SER A 34 79.024 -4.936 2.710 1.00 0.00 N ATOM 170 CA SER A 34 79.702 -5.513 3.871 1.00 0.00 C ATOM 171 C SER A 34 79.397 -4.623 5.041 1.00 0.00 C ATOM 172 O SER A 34 79.005 -3.484 4.867 1.00 0.00 O ATOM 173 CB SER A 34 81.233 -5.484 3.697 1.00 0.00 C ATOM 174 OG SER A 34 81.588 -4.359 2.901 1.00 0.00 O ATOM 0 H SER A 34 79.548 -4.176 2.276 1.00 0.00 H new ATOM 0 HA SER A 34 79.368 -6.542 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 34 81.721 -5.426 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 34 81.575 -6.404 3.223 1.00 0.00 H new ATOM 0 HG SER A 34 81.684 -4.637 1.966 1.00 0.00 H new ATOM 180 N LEU A 35 79.631 -5.210 6.228 1.00 0.00 N ATOM 181 CA LEU A 35 79.402 -4.334 7.419 1.00 0.00 C ATOM 182 C LEU A 35 80.715 -3.773 8.012 1.00 0.00 C ATOM 183 O LEU A 35 81.761 -4.399 7.918 1.00 0.00 O ATOM 184 CB LEU A 35 78.668 -5.101 8.500 1.00 0.00 C ATOM 185 CG LEU A 35 77.415 -5.800 7.984 1.00 0.00 C ATOM 186 CD1 LEU A 35 77.188 -7.101 8.743 1.00 0.00 C ATOM 187 CD2 LEU A 35 76.205 -4.872 7.992 1.00 0.00 C ATOM 0 H LEU A 35 79.941 -6.167 6.397 1.00 0.00 H new ATOM 0 HA LEU A 35 78.804 -3.492 7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 35 79.340 -5.843 8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 35 78.392 -4.416 9.301 1.00 0.00 H new ATOM 0 HG LEU A 35 77.565 -6.065 6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 35 76.290 -7.591 8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 35 78.046 -7.758 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 35 77.065 -6.886 9.805 1.00 0.00 H new ATOM 0 HD21 LEU A 35 75.333 -5.408 7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 35 76.013 -4.533 9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 35 76.403 -4.010 7.354 1.00 0.00 H new ATOM 199 N ASP A 36 80.593 -2.572 8.644 1.00 0.00 N ATOM 200 CA ASP A 36 81.742 -1.900 9.258 1.00 0.00 C ATOM 201 C ASP A 36 81.822 -2.215 10.759 1.00 0.00 C ATOM 202 O ASP A 36 81.760 -1.335 11.610 1.00 0.00 O ATOM 203 CB ASP A 36 81.600 -0.389 9.083 1.00 0.00 C ATOM 204 CG ASP A 36 82.859 0.386 9.553 1.00 0.00 C ATOM 205 OD1 ASP A 36 83.886 0.303 8.883 1.00 0.00 O ATOM 206 OD2 ASP A 36 82.797 1.062 10.584 1.00 0.00 O ATOM 0 H ASP A 36 79.713 -2.064 8.734 1.00 0.00 H new ATOM 0 HA ASP A 36 82.649 -2.258 8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 36 81.410 -0.165 8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 36 80.733 -0.042 9.645 1.00 0.00 H new ATOM 291 N TYR A 43 79.455 -10.535 4.004 1.00 0.00 N ATOM 292 CA TYR A 43 79.101 -9.735 2.825 1.00 0.00 C ATOM 293 C TYR A 43 77.685 -10.123 2.296 1.00 0.00 C ATOM 294 O TYR A 43 77.428 -11.255 1.907 1.00 0.00 O ATOM 295 CB TYR A 43 80.166 -9.893 1.693 1.00 0.00 C ATOM 296 CG TYR A 43 80.920 -8.640 1.395 1.00 0.00 C ATOM 297 CD1 TYR A 43 80.225 -7.476 1.135 1.00 0.00 C ATOM 298 CD2 TYR A 43 82.309 -8.629 1.346 1.00 0.00 C ATOM 299 CE1 TYR A 43 80.904 -6.315 0.796 1.00 0.00 C ATOM 300 CE2 TYR A 43 82.996 -7.465 1.029 1.00 0.00 C ATOM 301 CZ TYR A 43 82.289 -6.300 0.746 1.00 0.00 C ATOM 302 OH TYR A 43 82.923 -5.118 0.418 1.00 0.00 O ATOM 0 HA TYR A 43 79.083 -8.689 3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 43 80.873 -10.672 1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 43 79.669 -10.231 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 43 79.147 -7.469 1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 43 82.859 -9.534 1.556 1.00 0.00 H new ATOM 0 HE1 TYR A 43 80.350 -5.416 0.569 1.00 0.00 H new ATOM 0 HE2 TYR A 43 84.076 -7.463 1.002 1.00 0.00 H new ATOM 0 HH TYR A 43 83.893 -5.255 0.423 1.00 0.00 H new ATOM 312 N LYS A 44 76.794 -9.121 2.294 1.00 0.00 N ATOM 313 CA LYS A 44 75.423 -9.332 1.831 1.00 0.00 C ATOM 314 C LYS A 44 75.258 -8.751 0.432 1.00 0.00 C ATOM 315 O LYS A 44 76.071 -7.961 -0.015 1.00 0.00 O ATOM 316 CB LYS A 44 74.467 -8.699 2.845 1.00 0.00 C ATOM 317 CG LYS A 44 74.371 -9.592 4.081 1.00 0.00 C ATOM 318 CD LYS A 44 73.576 -10.881 3.876 1.00 0.00 C ATOM 319 CE LYS A 44 74.064 -11.988 4.797 1.00 0.00 C ATOM 320 NZ LYS A 44 75.290 -12.555 4.257 1.00 0.00 N ATOM 0 H LYS A 44 76.998 -8.171 2.604 1.00 0.00 H new ATOM 0 HA LYS A 44 75.191 -10.395 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 44 74.822 -7.708 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 44 73.481 -8.569 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 44 75.379 -9.850 4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 44 73.912 -9.023 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 44 72.519 -10.691 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 44 73.665 -11.204 2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 44 74.242 -11.593 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 44 73.302 -12.762 4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 75.499 -13.453 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 75.173 -12.728 3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 76.076 -11.890 4.407 1.00 0.00 H new ATOM 334 N SER A 45 74.179 -9.213 -0.236 1.00 0.00 N ATOM 335 CA SER A 45 73.896 -8.781 -1.602 1.00 0.00 C ATOM 336 C SER A 45 72.433 -8.343 -1.698 1.00 0.00 C ATOM 337 O SER A 45 71.557 -8.939 -1.083 1.00 0.00 O ATOM 338 CB SER A 45 74.155 -9.944 -2.560 1.00 0.00 C ATOM 339 OG SER A 45 74.229 -9.438 -3.885 1.00 0.00 O ATOM 0 H SER A 45 73.505 -9.874 0.150 1.00 0.00 H new ATOM 0 HA SER A 45 74.541 -7.944 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 45 75.084 -10.450 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 45 73.357 -10.682 -2.482 1.00 0.00 H new ATOM 0 HG SER A 45 74.397 -10.176 -4.508 1.00 0.00 H new ATOM 345 N ILE A 46 72.236 -7.266 -2.488 1.00 0.00 N ATOM 346 CA ILE A 46 70.932 -6.617 -2.577 1.00 0.00 C ATOM 347 C ILE A 46 70.830 -5.883 -3.925 1.00 0.00 C ATOM 348 O ILE A 46 71.833 -5.561 -4.542 1.00 0.00 O ATOM 349 CB ILE A 46 70.780 -5.647 -1.389 1.00 0.00 C ATOM 350 CG1 ILE A 46 71.936 -4.654 -1.317 1.00 0.00 C ATOM 351 CG2 ILE A 46 70.663 -6.388 -0.052 1.00 0.00 C ATOM 352 CD1 ILE A 46 71.733 -3.629 -0.219 1.00 0.00 C ATOM 0 H ILE A 46 72.962 -6.839 -3.064 1.00 0.00 H new ATOM 0 HA ILE A 46 70.126 -7.349 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 46 69.854 -5.099 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 46 72.867 -5.193 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 46 72.037 -4.144 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.558 -5.665 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 46 69.789 -7.039 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 46 71.559 -6.987 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 46 72.579 -2.941 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.816 -3.071 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 46 71.659 -4.136 0.743 1.00 0.00 H new ATOM 364 N LEU A 47 69.564 -5.644 -4.340 1.00 0.00 N ATOM 365 CA LEU A 47 69.283 -4.937 -5.588 1.00 0.00 C ATOM 366 C LEU A 47 68.882 -3.488 -5.262 1.00 0.00 C ATOM 367 O LEU A 47 68.085 -3.223 -4.371 1.00 0.00 O ATOM 368 CB LEU A 47 68.135 -5.647 -6.316 1.00 0.00 C ATOM 369 CG LEU A 47 67.713 -4.990 -7.649 1.00 0.00 C ATOM 370 CD1 LEU A 47 68.610 -5.458 -8.797 1.00 0.00 C ATOM 371 CD2 LEU A 47 66.245 -5.280 -7.953 1.00 0.00 C ATOM 0 H LEU A 47 68.733 -5.933 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 47 70.166 -4.932 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 47 68.429 -6.678 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 47 67.270 -5.683 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 47 67.833 -3.911 -7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 47 68.292 -4.981 -9.724 1.00 0.00 H new ATOM 0 HD12 LEU A 47 69.644 -5.186 -8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 47 68.533 -6.540 -8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 47 65.969 -4.808 -8.896 1.00 0.00 H new ATOM 0 HD22 LEU A 47 66.095 -6.357 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 47 65.622 -4.882 -7.152 1.00 0.00 H new ATOM 383 N VAL A 48 69.482 -2.590 -6.066 1.00 0.00 N ATOM 384 CA VAL A 48 69.256 -1.166 -6.016 1.00 0.00 C ATOM 385 C VAL A 48 68.389 -0.735 -7.205 1.00 0.00 C ATOM 386 O VAL A 48 68.601 -1.162 -8.328 1.00 0.00 O ATOM 387 CB VAL A 48 70.626 -0.474 -6.071 1.00 0.00 C ATOM 388 CG1 VAL A 48 71.248 -0.357 -7.481 1.00 0.00 C ATOM 389 CG2 VAL A 48 70.492 0.897 -5.439 1.00 0.00 C ATOM 0 H VAL A 48 70.154 -2.862 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 48 68.733 -0.890 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 48 71.319 -1.109 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 48 72.213 0.146 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 48 71.387 -1.353 -7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 48 70.584 0.219 -8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 48 71.455 1.407 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 48 69.756 1.482 -5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 48 70.169 0.790 -4.404 1.00 0.00 H new ATOM 399 N THR A 49 67.420 0.141 -6.893 1.00 0.00 N ATOM 400 CA THR A 49 66.539 0.685 -7.922 1.00 0.00 C ATOM 401 C THR A 49 66.948 2.145 -8.148 1.00 0.00 C ATOM 402 O THR A 49 67.451 2.789 -7.246 1.00 0.00 O ATOM 403 CB THR A 49 65.082 0.483 -7.464 1.00 0.00 C ATOM 404 OG1 THR A 49 64.753 1.386 -6.421 1.00 0.00 O ATOM 405 CG2 THR A 49 64.879 -0.978 -7.009 1.00 0.00 C ATOM 0 H THR A 49 67.234 0.480 -5.949 1.00 0.00 H new ATOM 0 HA THR A 49 66.624 0.180 -8.884 1.00 0.00 H new ATOM 0 HB THR A 49 64.416 0.687 -8.302 1.00 0.00 H new ATOM 0 HG1 THR A 49 63.823 1.243 -6.145 1.00 0.00 H new ATOM 0 HG21 THR A 49 63.848 -1.118 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 49 65.094 -1.651 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.552 -1.198 -6.180 1.00 0.00 H new ATOM 413 N SER A 50 66.737 2.644 -9.381 1.00 0.00 N ATOM 414 CA SER A 50 66.975 4.058 -9.691 1.00 0.00 C ATOM 415 C SER A 50 66.610 5.031 -8.535 1.00 0.00 C ATOM 416 O SER A 50 67.465 5.738 -8.024 1.00 0.00 O ATOM 417 CB SER A 50 66.217 4.391 -10.980 1.00 0.00 C ATOM 418 OG SER A 50 64.851 4.036 -10.894 1.00 0.00 O ATOM 0 H SER A 50 66.405 2.090 -10.170 1.00 0.00 H new ATOM 0 HA SER A 50 68.047 4.203 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.303 5.458 -11.186 1.00 0.00 H new ATOM 0 HB3 SER A 50 66.677 3.866 -11.818 1.00 0.00 H new ATOM 0 HG SER A 50 64.400 4.265 -11.733 1.00 0.00 H new ATOM 424 N GLN A 51 65.320 5.004 -8.136 1.00 0.00 N ATOM 425 CA GLN A 51 64.821 5.930 -7.119 1.00 0.00 C ATOM 426 C GLN A 51 65.162 5.528 -5.678 1.00 0.00 C ATOM 427 O GLN A 51 64.948 6.302 -4.751 1.00 0.00 O ATOM 428 CB GLN A 51 63.306 6.069 -7.257 1.00 0.00 C ATOM 429 CG GLN A 51 62.845 7.518 -7.054 1.00 0.00 C ATOM 430 CD GLN A 51 61.414 7.663 -7.579 1.00 0.00 C ATOM 431 OE1 GLN A 51 60.445 7.369 -6.892 1.00 0.00 O ATOM 432 NE2 GLN A 51 61.359 8.107 -8.849 1.00 0.00 N ATOM 0 H GLN A 51 64.621 4.358 -8.502 1.00 0.00 H new ATOM 0 HA GLN A 51 65.327 6.878 -7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 51 62.998 5.725 -8.244 1.00 0.00 H new ATOM 0 HB3 GLN A 51 62.814 5.426 -6.527 1.00 0.00 H new ATOM 0 HG2 GLN A 51 62.887 7.782 -5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 51 63.510 8.202 -7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 51 62.220 8.329 -9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 51 60.457 8.221 -9.311 1.00 0.00 H new ATOM 441 N ASP A 52 65.713 4.297 -5.548 1.00 0.00 N ATOM 442 CA ASP A 52 66.231 3.807 -4.274 1.00 0.00 C ATOM 443 C ASP A 52 67.117 4.887 -3.641 1.00 0.00 C ATOM 444 O ASP A 52 67.831 5.621 -4.310 1.00 0.00 O ATOM 445 CB ASP A 52 67.076 2.541 -4.493 1.00 0.00 C ATOM 446 CG ASP A 52 67.674 1.967 -3.215 1.00 0.00 C ATOM 447 OD1 ASP A 52 68.570 2.610 -2.676 1.00 0.00 O ATOM 448 OD2 ASP A 52 67.265 0.888 -2.789 1.00 0.00 O ATOM 0 H ASP A 52 65.804 3.634 -6.318 1.00 0.00 H new ATOM 0 HA ASP A 52 65.392 3.572 -3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 52 66.455 1.780 -4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 52 67.883 2.771 -5.188 1.00 0.00 H new ATOM 453 N LYS A 53 67.003 4.920 -2.313 1.00 0.00 N ATOM 454 CA LYS A 53 67.704 5.896 -1.513 1.00 0.00 C ATOM 455 C LYS A 53 68.711 5.144 -0.632 1.00 0.00 C ATOM 456 O LYS A 53 68.590 3.952 -0.403 1.00 0.00 O ATOM 457 CB LYS A 53 66.615 6.672 -0.763 1.00 0.00 C ATOM 458 CG LYS A 53 65.572 5.772 -0.092 1.00 0.00 C ATOM 459 CD LYS A 53 64.505 6.575 0.632 1.00 0.00 C ATOM 460 CE LYS A 53 63.496 5.673 1.347 1.00 0.00 C ATOM 461 NZ LYS A 53 62.198 6.327 1.391 1.00 0.00 N ATOM 0 H LYS A 53 66.425 4.273 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 53 68.297 6.620 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 53 67.084 7.298 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 53 66.111 7.340 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 53 65.101 5.140 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 53 66.068 5.108 0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 53 64.979 7.236 1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 53 63.981 7.210 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 53 63.415 4.718 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 53 63.840 5.457 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 61.515 5.711 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 62.280 7.227 1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 61.869 6.511 0.422 1.00 0.00 H new ATOM 475 N ALA A 54 69.717 5.901 -0.154 1.00 0.00 N ATOM 476 CA ALA A 54 70.648 5.379 0.847 1.00 0.00 C ATOM 477 C ALA A 54 69.964 4.528 1.957 1.00 0.00 C ATOM 478 O ALA A 54 70.302 3.360 2.112 1.00 0.00 O ATOM 479 CB ALA A 54 71.461 6.540 1.426 1.00 0.00 C ATOM 0 H ALA A 54 69.899 6.862 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 54 71.318 4.680 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 54 72.158 6.159 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 54 72.018 7.029 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 54 70.787 7.260 1.891 1.00 0.00 H new ATOM 485 N PRO A 55 68.974 5.119 2.702 1.00 0.00 N ATOM 486 CA PRO A 55 68.273 4.410 3.776 1.00 0.00 C ATOM 487 C PRO A 55 67.400 3.215 3.317 1.00 0.00 C ATOM 488 O PRO A 55 66.958 2.413 4.132 1.00 0.00 O ATOM 489 CB PRO A 55 67.430 5.506 4.455 1.00 0.00 C ATOM 490 CG PRO A 55 67.264 6.609 3.415 1.00 0.00 C ATOM 491 CD PRO A 55 68.481 6.478 2.516 1.00 0.00 C ATOM 0 HA PRO A 55 68.989 3.930 4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 55 66.462 5.116 4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 55 67.927 5.883 5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 55 66.340 6.485 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 55 67.222 7.592 3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 55 68.217 6.658 1.474 1.00 0.00 H new ATOM 0 HD3 PRO A 55 69.244 7.210 2.783 1.00 0.00 H new ATOM 499 N ALA A 56 67.214 3.117 1.979 1.00 0.00 N ATOM 500 CA ALA A 56 66.457 2.014 1.381 1.00 0.00 C ATOM 501 C ALA A 56 67.346 0.792 1.151 1.00 0.00 C ATOM 502 O ALA A 56 67.036 -0.313 1.570 1.00 0.00 O ATOM 503 CB ALA A 56 65.861 2.416 0.031 1.00 0.00 C ATOM 0 H ALA A 56 67.579 3.789 1.304 1.00 0.00 H new ATOM 0 HA ALA A 56 65.660 1.771 2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 56 65.306 1.576 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 56 65.189 3.263 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 56 66.663 2.696 -0.652 1.00 0.00 H new ATOM 509 N VAL A 57 68.477 1.050 0.463 1.00 0.00 N ATOM 510 CA VAL A 57 69.508 0.031 0.287 1.00 0.00 C ATOM 511 C VAL A 57 69.903 -0.597 1.630 1.00 0.00 C ATOM 512 O VAL A 57 70.171 -1.784 1.716 1.00 0.00 O ATOM 513 CB VAL A 57 70.718 0.669 -0.427 1.00 0.00 C ATOM 514 CG1 VAL A 57 72.074 0.151 0.041 1.00 0.00 C ATOM 515 CG2 VAL A 57 70.650 0.432 -1.929 1.00 0.00 C ATOM 0 H VAL A 57 68.690 1.948 0.028 1.00 0.00 H new ATOM 0 HA VAL A 57 69.120 -0.780 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 57 70.648 1.727 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 57 72.867 0.653 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 57 72.193 0.352 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 57 72.133 -0.923 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 57 71.514 0.891 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 57 70.651 -0.640 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 57 69.736 0.874 -2.326 1.00 0.00 H new ATOM 525 N ILE A 58 69.910 0.276 2.653 1.00 0.00 N ATOM 526 CA ILE A 58 70.240 -0.147 3.997 1.00 0.00 C ATOM 527 C ILE A 58 69.149 -1.035 4.583 1.00 0.00 C ATOM 528 O ILE A 58 69.453 -1.970 5.297 1.00 0.00 O ATOM 529 CB ILE A 58 70.480 1.109 4.839 1.00 0.00 C ATOM 530 CG1 ILE A 58 71.872 1.676 4.520 1.00 0.00 C ATOM 531 CG2 ILE A 58 70.338 0.840 6.336 1.00 0.00 C ATOM 532 CD1 ILE A 58 71.931 3.192 4.424 1.00 0.00 C ATOM 0 H ILE A 58 69.691 1.268 2.561 1.00 0.00 H new ATOM 0 HA ILE A 58 71.144 -0.756 3.990 1.00 0.00 H new ATOM 0 HB ILE A 58 69.715 1.841 4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 58 72.569 1.346 5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.215 1.252 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 58 70.518 1.761 6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 58 69.331 0.480 6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 58 71.064 0.086 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.951 3.503 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 58 71.263 3.533 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 58 71.622 3.629 5.374 1.00 0.00 H new ATOM 544 N ARG A 59 67.884 -0.718 4.253 1.00 0.00 N ATOM 545 CA ARG A 59 66.783 -1.549 4.726 1.00 0.00 C ATOM 546 C ARG A 59 66.938 -3.012 4.262 1.00 0.00 C ATOM 547 O ARG A 59 66.640 -3.953 4.987 1.00 0.00 O ATOM 548 CB ARG A 59 65.487 -0.955 4.175 1.00 0.00 C ATOM 549 CG ARG A 59 64.228 -1.690 4.618 1.00 0.00 C ATOM 550 CD ARG A 59 63.101 -1.511 3.599 1.00 0.00 C ATOM 551 NE ARG A 59 61.844 -1.543 4.324 1.00 0.00 N ATOM 552 CZ ARG A 59 60.797 -2.208 3.814 1.00 0.00 C ATOM 553 NH1 ARG A 59 60.048 -1.627 2.885 1.00 0.00 N ATOM 554 NH2 ARG A 59 60.518 -3.435 4.245 1.00 0.00 N ATOM 0 H ARG A 59 67.613 0.081 3.680 1.00 0.00 H new ATOM 0 HA ARG A 59 66.775 -1.560 5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 59 65.416 0.087 4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.533 -0.958 3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.446 -2.751 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 59 63.907 -1.315 5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 59 63.212 -0.566 3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 59 63.132 -2.303 2.851 1.00 0.00 H new ATOM 0 HE ARG A 59 61.757 -1.061 5.219 1.00 0.00 H new ATOM 0 HH11 ARG A 59 60.271 -0.684 2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 59 59.249 -2.123 2.490 1.00 0.00 H new ATOM 0 HH21 ARG A 59 61.100 -3.868 4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 59 59.722 -3.943 3.859 1.00 0.00 H new ATOM 568 N LYS A 60 67.431 -3.126 3.012 1.00 0.00 N ATOM 569 CA LYS A 60 67.631 -4.426 2.402 1.00 0.00 C ATOM 570 C LYS A 60 68.825 -5.148 3.039 1.00 0.00 C ATOM 571 O LYS A 60 68.732 -6.294 3.455 1.00 0.00 O ATOM 572 CB LYS A 60 67.832 -4.205 0.903 1.00 0.00 C ATOM 573 CG LYS A 60 67.420 -5.422 0.065 1.00 0.00 C ATOM 574 CD LYS A 60 67.076 -5.000 -1.360 1.00 0.00 C ATOM 575 CE LYS A 60 65.670 -4.399 -1.416 1.00 0.00 C ATOM 576 NZ LYS A 60 65.540 -3.489 -2.540 1.00 0.00 N ATOM 0 H LYS A 60 67.691 -2.335 2.423 1.00 0.00 H new ATOM 0 HA LYS A 60 66.764 -5.067 2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 60 67.252 -3.338 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 60 68.880 -3.975 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 60 68.231 -6.151 0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 60 66.560 -5.912 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 60 67.804 -4.271 -1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 60 67.137 -5.861 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 60 64.932 -5.197 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 60 65.460 -3.869 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 65.366 -2.526 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 66.417 -3.501 -3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 64.744 -3.788 -3.139 1.00 0.00 H new ATOM 590 N ALA A 61 69.931 -4.374 3.098 1.00 0.00 N ATOM 591 CA ALA A 61 71.209 -4.824 3.642 1.00 0.00 C ATOM 592 C ALA A 61 71.093 -5.254 5.121 1.00 0.00 C ATOM 593 O ALA A 61 71.789 -6.148 5.584 1.00 0.00 O ATOM 594 CB ALA A 61 72.248 -3.696 3.487 1.00 0.00 C ATOM 0 H ALA A 61 69.950 -3.411 2.763 1.00 0.00 H new ATOM 0 HA ALA A 61 71.528 -5.703 3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 61 73.205 -4.025 3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 61 72.365 -3.451 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 61 71.910 -2.813 4.029 1.00 0.00 H new ATOM 600 N MET A 62 70.168 -4.554 5.815 1.00 0.00 N ATOM 601 CA MET A 62 69.934 -4.741 7.240 1.00 0.00 C ATOM 602 C MET A 62 69.139 -6.007 7.514 1.00 0.00 C ATOM 603 O MET A 62 69.558 -6.832 8.309 1.00 0.00 O ATOM 604 CB MET A 62 69.169 -3.554 7.832 1.00 0.00 C ATOM 605 CG MET A 62 70.098 -2.388 8.180 1.00 0.00 C ATOM 606 SD MET A 62 69.770 -1.773 9.834 1.00 0.00 S ATOM 607 CE MET A 62 68.046 -1.332 9.572 1.00 0.00 C ATOM 0 H MET A 62 69.569 -3.846 5.390 1.00 0.00 H new ATOM 0 HA MET A 62 70.915 -4.821 7.709 1.00 0.00 H new ATOM 0 HB2 MET A 62 68.416 -3.217 7.120 1.00 0.00 H new ATOM 0 HB3 MET A 62 68.639 -3.875 8.729 1.00 0.00 H new ATOM 0 HG2 MET A 62 71.136 -2.712 8.108 1.00 0.00 H new ATOM 0 HG3 MET A 62 69.964 -1.584 7.456 1.00 0.00 H new ATOM 0 HE1 MET A 62 67.708 -0.687 10.383 1.00 0.00 H new ATOM 0 HE2 MET A 62 67.945 -0.805 8.623 1.00 0.00 H new ATOM 0 HE3 MET A 62 67.438 -2.237 9.551 1.00 0.00 H new ATOM 617 N ASP A 63 67.985 -6.114 6.816 1.00 0.00 N ATOM 618 CA ASP A 63 67.172 -7.332 6.852 1.00 0.00 C ATOM 619 C ASP A 63 68.043 -8.587 6.614 1.00 0.00 C ATOM 620 O ASP A 63 67.863 -9.634 7.225 1.00 0.00 O ATOM 621 CB ASP A 63 66.069 -7.201 5.781 1.00 0.00 C ATOM 622 CG ASP A 63 65.019 -8.340 5.772 1.00 0.00 C ATOM 623 OD1 ASP A 63 65.249 -9.398 6.355 1.00 0.00 O ATOM 624 OD2 ASP A 63 63.963 -8.148 5.171 1.00 0.00 O ATOM 0 H ASP A 63 67.605 -5.372 6.228 1.00 0.00 H new ATOM 0 HA ASP A 63 66.717 -7.450 7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 63 65.552 -6.253 5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 63 66.541 -7.156 4.800 1.00 0.00 H new ATOM 629 N LYS A 64 69.013 -8.374 5.705 1.00 0.00 N ATOM 630 CA LYS A 64 69.963 -9.399 5.324 1.00 0.00 C ATOM 631 C LYS A 64 70.882 -9.802 6.487 1.00 0.00 C ATOM 632 O LYS A 64 71.185 -10.969 6.699 1.00 0.00 O ATOM 633 CB LYS A 64 70.774 -8.848 4.140 1.00 0.00 C ATOM 634 CG LYS A 64 70.551 -9.708 2.899 1.00 0.00 C ATOM 635 CD LYS A 64 69.239 -9.327 2.206 1.00 0.00 C ATOM 636 CE LYS A 64 68.463 -10.537 1.684 1.00 0.00 C ATOM 637 NZ LYS A 64 68.498 -10.587 0.233 1.00 0.00 N ATOM 0 H LYS A 64 69.148 -7.485 5.224 1.00 0.00 H new ATOM 0 HA LYS A 64 69.432 -10.308 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 64 70.478 -7.819 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 64 71.834 -8.831 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 64 71.384 -9.581 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 64 70.528 -10.761 3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 64 68.612 -8.775 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 64 69.456 -8.656 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 64 68.890 -11.452 2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 64 67.429 -10.486 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 67.965 -11.416 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 68.070 -9.722 -0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 69.485 -10.658 -0.088 1.00 0.00 H new ATOM 651 N HIS A 65 71.293 -8.747 7.210 1.00 0.00 N ATOM 652 CA HIS A 65 72.210 -8.883 8.326 1.00 0.00 C ATOM 653 C HIS A 65 71.507 -9.128 9.670 1.00 0.00 C ATOM 654 O HIS A 65 72.178 -9.325 10.675 1.00 0.00 O ATOM 655 CB HIS A 65 73.061 -7.613 8.379 1.00 0.00 C ATOM 656 CG HIS A 65 74.190 -7.736 7.368 1.00 0.00 C ATOM 657 ND1 HIS A 65 74.530 -6.765 6.506 1.00 0.00 N ATOM 658 CD2 HIS A 65 75.075 -8.808 7.214 1.00 0.00 C ATOM 659 CE1 HIS A 65 75.604 -7.227 5.840 1.00 0.00 C ATOM 660 NE2 HIS A 65 75.957 -8.458 6.249 1.00 0.00 N ATOM 0 H HIS A 65 70.995 -7.788 7.030 1.00 0.00 H new ATOM 0 HA HIS A 65 72.827 -9.767 8.164 1.00 0.00 H new ATOM 0 HB2 HIS A 65 72.449 -6.739 8.156 1.00 0.00 H new ATOM 0 HB3 HIS A 65 73.466 -7.472 9.381 1.00 0.00 H new ATOM 0 HD2 HIS A 65 75.058 -9.739 7.761 1.00 0.00 H new ATOM 0 HE1 HIS A 65 76.121 -6.675 5.069 1.00 0.00 H new ATOM 0 HE2 HIS A 65 76.736 -9.018 5.901 1.00 0.00 H new ATOM 668 N ASN A 66 70.155 -9.127 9.657 1.00 0.00 N ATOM 669 CA ASN A 66 69.401 -9.364 10.889 1.00 0.00 C ATOM 670 C ASN A 66 69.754 -8.344 12.005 1.00 0.00 C ATOM 671 O ASN A 66 69.798 -8.681 13.182 1.00 0.00 O ATOM 672 CB ASN A 66 69.634 -10.832 11.338 1.00 0.00 C ATOM 673 CG ASN A 66 68.368 -11.698 11.291 1.00 0.00 C ATOM 674 OD1 ASN A 66 68.066 -12.429 12.227 1.00 0.00 O ATOM 675 ND2 ASN A 66 67.662 -11.586 10.152 1.00 0.00 N ATOM 0 H ASN A 66 69.584 -8.968 8.827 1.00 0.00 H new ATOM 0 HA ASN A 66 68.340 -9.214 10.691 1.00 0.00 H new ATOM 0 HB2 ASN A 66 70.395 -11.281 10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 66 70.028 -10.834 12.354 1.00 0.00 H new ATOM 0 HD21 ASN A 66 66.810 -12.133 10.024 1.00 0.00 H new ATOM 0 HD22 ASN A 66 67.978 -10.954 9.416 1.00 0.00 H new ATOM 682 N LEU A 67 70.017 -7.092 11.559 1.00 0.00 N ATOM 683 CA LEU A 67 70.477 -6.033 12.459 1.00 0.00 C ATOM 684 C LEU A 67 69.402 -4.954 12.614 1.00 0.00 C ATOM 685 O LEU A 67 69.661 -3.758 12.543 1.00 0.00 O ATOM 686 CB LEU A 67 71.770 -5.423 11.900 1.00 0.00 C ATOM 687 CG LEU A 67 72.979 -6.340 12.107 1.00 0.00 C ATOM 688 CD1 LEU A 67 74.221 -5.797 11.394 1.00 0.00 C ATOM 689 CD2 LEU A 67 73.254 -6.589 13.598 1.00 0.00 C ATOM 0 H LEU A 67 69.916 -6.802 10.586 1.00 0.00 H new ATOM 0 HA LEU A 67 70.672 -6.458 13.444 1.00 0.00 H new ATOM 0 HB2 LEU A 67 71.645 -5.224 10.836 1.00 0.00 H new ATOM 0 HB3 LEU A 67 71.956 -4.464 12.384 1.00 0.00 H new ATOM 0 HG LEU A 67 72.735 -7.302 11.657 1.00 0.00 H new ATOM 0 HD11 LEU A 67 75.061 -6.472 11.561 1.00 0.00 H new ATOM 0 HD12 LEU A 67 74.023 -5.722 10.325 1.00 0.00 H new ATOM 0 HD13 LEU A 67 74.464 -4.810 11.788 1.00 0.00 H new ATOM 0 HD21 LEU A 67 74.119 -7.244 13.704 1.00 0.00 H new ATOM 0 HD22 LEU A 67 73.455 -5.640 14.094 1.00 0.00 H new ATOM 0 HD23 LEU A 67 72.384 -7.060 14.055 1.00 0.00 H new ATOM 701 N GLU A 68 68.183 -5.467 12.862 1.00 0.00 N ATOM 702 CA GLU A 68 67.016 -4.617 13.046 1.00 0.00 C ATOM 703 C GLU A 68 67.033 -3.824 14.356 1.00 0.00 C ATOM 704 O GLU A 68 66.182 -2.969 14.570 1.00 0.00 O ATOM 705 CB GLU A 68 65.789 -5.519 13.061 1.00 0.00 C ATOM 706 CG GLU A 68 65.538 -6.140 11.678 1.00 0.00 C ATOM 707 CD GLU A 68 64.273 -5.560 11.024 1.00 0.00 C ATOM 708 OE1 GLU A 68 64.120 -4.337 11.008 1.00 0.00 O ATOM 709 OE2 GLU A 68 63.452 -6.337 10.540 1.00 0.00 O ATOM 0 H GLU A 68 67.991 -6.466 12.938 1.00 0.00 H new ATOM 0 HA GLU A 68 67.008 -3.892 12.232 1.00 0.00 H new ATOM 0 HB2 GLU A 68 65.925 -6.310 13.798 1.00 0.00 H new ATOM 0 HB3 GLU A 68 64.915 -4.944 13.368 1.00 0.00 H new ATOM 0 HG2 GLU A 68 66.398 -5.958 11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 68 65.436 -7.221 11.776 1.00 0.00 H new ATOM 716 N GLU A 69 68.046 -4.141 15.198 1.00 0.00 N ATOM 717 CA GLU A 69 68.311 -3.448 16.453 1.00 0.00 C ATOM 718 C GLU A 69 68.171 -1.914 16.349 1.00 0.00 C ATOM 719 O GLU A 69 67.819 -1.242 17.309 1.00 0.00 O ATOM 720 CB GLU A 69 69.729 -3.826 16.914 1.00 0.00 C ATOM 721 CG GLU A 69 70.830 -3.385 15.925 1.00 0.00 C ATOM 722 CD GLU A 69 72.257 -3.667 16.427 1.00 0.00 C ATOM 723 OE1 GLU A 69 72.476 -3.683 17.637 1.00 0.00 O ATOM 724 OE2 GLU A 69 73.143 -3.851 15.595 1.00 0.00 O ATOM 0 H GLU A 69 68.703 -4.898 15.009 1.00 0.00 H new ATOM 0 HA GLU A 69 67.561 -3.763 17.179 1.00 0.00 H new ATOM 0 HB2 GLU A 69 69.921 -3.372 17.886 1.00 0.00 H new ATOM 0 HB3 GLU A 69 69.784 -4.906 17.050 1.00 0.00 H new ATOM 0 HG2 GLU A 69 70.680 -3.898 14.975 1.00 0.00 H new ATOM 0 HG3 GLU A 69 70.726 -2.317 15.731 1.00 0.00 H new ATOM 731 N GLU A 70 68.470 -1.422 15.123 1.00 0.00 N ATOM 732 CA GLU A 70 68.406 -0.001 14.822 1.00 0.00 C ATOM 733 C GLU A 70 67.640 0.192 13.515 1.00 0.00 C ATOM 734 O GLU A 70 67.251 -0.752 12.837 1.00 0.00 O ATOM 735 CB GLU A 70 69.838 0.503 14.690 1.00 0.00 C ATOM 736 CG GLU A 70 70.585 0.397 16.034 1.00 0.00 C ATOM 737 CD GLU A 70 72.067 0.099 15.866 1.00 0.00 C ATOM 738 OE1 GLU A 70 72.451 -0.435 14.823 1.00 0.00 O ATOM 739 OE2 GLU A 70 72.813 0.382 16.802 1.00 0.00 O ATOM 0 H GLU A 70 68.757 -2.003 14.335 1.00 0.00 H new ATOM 0 HA GLU A 70 67.892 0.554 15.607 1.00 0.00 H new ATOM 0 HB2 GLU A 70 70.363 -0.077 13.931 1.00 0.00 H new ATOM 0 HB3 GLU A 70 69.833 1.540 14.353 1.00 0.00 H new ATOM 0 HG2 GLU A 70 70.467 1.331 16.584 1.00 0.00 H new ATOM 0 HG3 GLU A 70 70.128 -0.388 16.637 1.00 0.00 H new ATOM 746 N GLU A 71 67.457 1.493 13.228 1.00 0.00 N ATOM 747 CA GLU A 71 66.720 1.941 12.062 1.00 0.00 C ATOM 748 C GLU A 71 67.669 2.016 10.847 1.00 0.00 C ATOM 749 O GLU A 71 68.868 1.808 10.980 1.00 0.00 O ATOM 750 CB GLU A 71 66.130 3.314 12.426 1.00 0.00 C ATOM 751 CG GLU A 71 64.598 3.277 12.619 1.00 0.00 C ATOM 752 CD GLU A 71 63.876 4.433 11.901 1.00 0.00 C ATOM 753 OE1 GLU A 71 64.108 5.585 12.255 1.00 0.00 O ATOM 754 OE2 GLU A 71 63.087 4.169 10.991 1.00 0.00 O ATOM 0 H GLU A 71 67.820 2.252 13.805 1.00 0.00 H new ATOM 0 HA GLU A 71 65.918 1.255 11.787 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.598 3.674 13.342 1.00 0.00 H new ATOM 0 HB3 GLU A 71 66.375 4.029 11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 71 64.213 2.328 12.247 1.00 0.00 H new ATOM 0 HG3 GLU A 71 64.370 3.318 13.684 1.00 0.00 H new ATOM 761 N PRO A 72 67.084 2.315 9.644 1.00 0.00 N ATOM 762 CA PRO A 72 67.875 2.431 8.421 1.00 0.00 C ATOM 763 C PRO A 72 68.745 3.692 8.398 1.00 0.00 C ATOM 764 O PRO A 72 69.887 3.696 7.957 1.00 0.00 O ATOM 765 CB PRO A 72 66.816 2.570 7.313 1.00 0.00 C ATOM 766 CG PRO A 72 65.563 3.099 8.010 1.00 0.00 C ATOM 767 CD PRO A 72 65.657 2.548 9.427 1.00 0.00 C ATOM 0 HA PRO A 72 68.549 1.581 8.317 1.00 0.00 H new ATOM 0 HB2 PRO A 72 67.151 3.255 6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 72 66.623 1.611 6.832 1.00 0.00 H new ATOM 0 HG2 PRO A 72 65.537 4.189 8.008 1.00 0.00 H new ATOM 0 HG3 PRO A 72 64.656 2.758 7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 72 65.257 3.255 10.154 1.00 0.00 H new ATOM 0 HD3 PRO A 72 65.085 1.626 9.531 1.00 0.00 H new ATOM 775 N GLU A 73 68.116 4.743 8.956 1.00 0.00 N ATOM 776 CA GLU A 73 68.724 6.057 9.085 1.00 0.00 C ATOM 777 C GLU A 73 70.000 6.036 9.949 1.00 0.00 C ATOM 778 O GLU A 73 70.796 6.967 9.920 1.00 0.00 O ATOM 779 CB GLU A 73 67.695 6.998 9.724 1.00 0.00 C ATOM 780 CG GLU A 73 67.171 6.471 11.073 1.00 0.00 C ATOM 781 CD GLU A 73 66.872 7.605 12.061 1.00 0.00 C ATOM 782 OE1 GLU A 73 67.820 8.164 12.610 1.00 0.00 O ATOM 783 OE2 GLU A 73 65.702 7.914 12.278 1.00 0.00 O ATOM 0 H GLU A 73 67.168 4.692 9.328 1.00 0.00 H new ATOM 0 HA GLU A 73 69.016 6.397 8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 73 68.147 7.979 9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 73 66.857 7.133 9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 73 66.265 5.888 10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 73 67.908 5.797 11.509 1.00 0.00 H new ATOM 790 N ASP A 74 70.131 4.928 10.717 1.00 0.00 N ATOM 791 CA ASP A 74 71.227 4.774 11.652 1.00 0.00 C ATOM 792 C ASP A 74 72.402 4.020 11.008 1.00 0.00 C ATOM 793 O ASP A 74 73.132 3.308 11.686 1.00 0.00 O ATOM 794 CB ASP A 74 70.732 3.994 12.883 1.00 0.00 C ATOM 795 CG ASP A 74 71.489 4.453 14.144 1.00 0.00 C ATOM 796 OD1 ASP A 74 71.113 5.483 14.705 1.00 0.00 O ATOM 797 OD2 ASP A 74 72.443 3.787 14.546 1.00 0.00 O ATOM 0 H ASP A 74 69.484 4.140 10.694 1.00 0.00 H new ATOM 0 HA ASP A 74 71.576 5.764 11.946 1.00 0.00 H new ATOM 0 HB2 ASP A 74 69.661 4.151 13.015 1.00 0.00 H new ATOM 0 HB3 ASP A 74 70.881 2.925 12.729 1.00 0.00 H new ATOM 802 N TYR A 75 72.541 4.202 9.678 1.00 0.00 N ATOM 803 CA TYR A 75 73.571 3.474 8.956 1.00 0.00 C ATOM 804 C TYR A 75 74.016 4.314 7.745 1.00 0.00 C ATOM 805 O TYR A 75 73.196 4.857 7.019 1.00 0.00 O ATOM 806 CB TYR A 75 72.999 2.113 8.515 1.00 0.00 C ATOM 807 CG TYR A 75 73.132 1.024 9.549 1.00 0.00 C ATOM 808 CD1 TYR A 75 74.274 0.238 9.591 1.00 0.00 C ATOM 809 CD2 TYR A 75 72.125 0.776 10.472 1.00 0.00 C ATOM 810 CE1 TYR A 75 74.431 -0.770 10.524 1.00 0.00 C ATOM 811 CE2 TYR A 75 72.268 -0.231 11.415 1.00 0.00 C ATOM 812 CZ TYR A 75 73.416 -1.006 11.445 1.00 0.00 C ATOM 813 OH TYR A 75 73.534 -1.993 12.400 1.00 0.00 O ATOM 0 H TYR A 75 71.969 4.827 9.110 1.00 0.00 H new ATOM 0 HA TYR A 75 74.440 3.295 9.589 1.00 0.00 H new ATOM 0 HB2 TYR A 75 71.945 2.237 8.268 1.00 0.00 H new ATOM 0 HB3 TYR A 75 73.505 1.797 7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 75 75.062 0.418 8.875 1.00 0.00 H new ATOM 0 HD2 TYR A 75 71.224 1.371 10.456 1.00 0.00 H new ATOM 0 HE1 TYR A 75 75.331 -1.367 10.537 1.00 0.00 H new ATOM 0 HE2 TYR A 75 71.479 -0.412 12.130 1.00 0.00 H new ATOM 0 HH TYR A 75 73.222 -1.651 13.264 1.00 0.00 H new ATOM 823 N GLU A 76 75.356 4.395 7.578 1.00 0.00 N ATOM 824 CA GLU A 76 75.963 5.100 6.465 1.00 0.00 C ATOM 825 C GLU A 76 76.149 4.163 5.279 1.00 0.00 C ATOM 826 O GLU A 76 76.562 3.020 5.430 1.00 0.00 O ATOM 827 CB GLU A 76 77.328 5.634 6.913 1.00 0.00 C ATOM 828 CG GLU A 76 77.248 6.682 8.015 1.00 0.00 C ATOM 829 CD GLU A 76 76.349 7.850 7.573 1.00 0.00 C ATOM 830 OE1 GLU A 76 76.409 8.242 6.407 1.00 0.00 O ATOM 831 OE2 GLU A 76 75.581 8.346 8.392 1.00 0.00 O ATOM 0 H GLU A 76 76.029 3.971 8.216 1.00 0.00 H new ATOM 0 HA GLU A 76 75.315 5.921 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 76 77.937 4.800 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 76 77.839 6.064 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 76 76.852 6.233 8.926 1.00 0.00 H new ATOM 0 HG3 GLU A 76 78.247 7.051 8.250 1.00 0.00 H new ATOM 838 N LEU A 77 75.838 4.735 4.091 1.00 0.00 N ATOM 839 CA LEU A 77 76.082 3.974 2.883 1.00 0.00 C ATOM 840 C LEU A 77 77.341 4.517 2.245 1.00 0.00 C ATOM 841 O LEU A 77 77.400 5.697 1.942 1.00 0.00 O ATOM 842 CB LEU A 77 74.926 4.202 1.919 1.00 0.00 C ATOM 843 CG LEU A 77 74.872 3.135 0.827 1.00 0.00 C ATOM 844 CD1 LEU A 77 74.775 1.741 1.456 1.00 0.00 C ATOM 845 CD2 LEU A 77 73.706 3.394 -0.130 1.00 0.00 C ATOM 0 H LEU A 77 75.442 5.666 3.963 1.00 0.00 H new ATOM 0 HA LEU A 77 76.180 2.912 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 77 73.987 4.202 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 77 75.025 5.186 1.460 1.00 0.00 H new ATOM 0 HG LEU A 77 75.792 3.184 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 77 74.737 0.988 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 77 75.647 1.564 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 77 73.871 1.677 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 77 73.688 2.622 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 77 72.768 3.375 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 77 73.830 4.370 -0.599 1.00 0.00 H new ATOM 857 N LEU A 78 78.326 3.621 2.064 1.00 0.00 N ATOM 858 CA LEU A 78 79.616 4.034 1.544 1.00 0.00 C ATOM 859 C LEU A 78 79.891 3.170 0.327 1.00 0.00 C ATOM 860 O LEU A 78 79.589 1.994 0.331 1.00 0.00 O ATOM 861 CB LEU A 78 80.724 3.872 2.612 1.00 0.00 C ATOM 862 CG LEU A 78 80.465 4.562 3.965 1.00 0.00 C ATOM 863 CD1 LEU A 78 80.016 6.025 3.842 1.00 0.00 C ATOM 864 CD2 LEU A 78 79.533 3.725 4.844 1.00 0.00 C ATOM 0 H LEU A 78 78.245 2.625 2.270 1.00 0.00 H new ATOM 0 HA LEU A 78 79.607 5.090 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.874 2.808 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.656 4.260 2.201 1.00 0.00 H new ATOM 0 HG LEU A 78 81.429 4.617 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 78 79.854 6.441 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 78 80.787 6.600 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.088 6.074 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.369 4.238 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 78 78.579 3.588 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 78 79.987 2.752 5.032 1.00 0.00 H new ATOM 876 N GLN A 79 80.444 3.795 -0.722 1.00 0.00 N ATOM 877 CA GLN A 79 80.783 3.025 -1.907 1.00 0.00 C ATOM 878 C GLN A 79 82.310 2.910 -1.983 1.00 0.00 C ATOM 879 O GLN A 79 83.011 3.862 -1.701 1.00 0.00 O ATOM 880 CB GLN A 79 80.256 3.788 -3.105 1.00 0.00 C ATOM 881 CG GLN A 79 80.359 2.947 -4.389 1.00 0.00 C ATOM 882 CD GLN A 79 80.721 3.852 -5.536 1.00 0.00 C ATOM 883 OE1 GLN A 79 80.820 5.058 -5.364 1.00 0.00 O ATOM 884 NE2 GLN A 79 80.935 3.212 -6.696 1.00 0.00 N ATOM 0 H GLN A 79 80.656 4.792 -0.768 1.00 0.00 H new ATOM 0 HA GLN A 79 80.350 2.025 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 79 79.217 4.068 -2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 79 80.819 4.713 -3.227 1.00 0.00 H new ATOM 0 HG2 GLN A 79 81.113 2.169 -4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 79 79.412 2.446 -4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 79 80.828 2.199 -6.747 1.00 0.00 H new ATOM 0 HE22 GLN A 79 81.204 3.739 -7.527 1.00 0.00 H new ATOM 893 N ILE A 80 82.794 1.722 -2.377 1.00 0.00 N ATOM 894 CA ILE A 80 84.232 1.485 -2.446 1.00 0.00 C ATOM 895 C ILE A 80 84.668 1.520 -3.910 1.00 0.00 C ATOM 896 O ILE A 80 84.151 0.786 -4.754 1.00 0.00 O ATOM 897 CB ILE A 80 84.513 0.105 -1.862 1.00 0.00 C ATOM 898 CG1 ILE A 80 84.165 0.043 -0.369 1.00 0.00 C ATOM 899 CG2 ILE A 80 85.955 -0.359 -2.092 1.00 0.00 C ATOM 900 CD1 ILE A 80 83.312 -1.184 -0.062 1.00 0.00 C ATOM 0 H ILE A 80 82.216 0.926 -2.647 1.00 0.00 H new ATOM 0 HA ILE A 80 84.777 2.246 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 80 83.863 -0.584 -2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 80 85.081 0.012 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 80 83.629 0.946 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 80 86.093 -1.347 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 80 86.156 -0.405 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 80 86.643 0.345 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 80 83.078 -1.207 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 80 82.387 -1.137 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 80 83.861 -2.086 -0.332 1.00 0.00 H new ATOM 912 N LEU A 81 85.660 2.426 -4.105 1.00 0.00 N ATOM 913 CA LEU A 81 86.238 2.718 -5.412 1.00 0.00 C ATOM 914 C LEU A 81 87.647 2.154 -5.549 1.00 0.00 C ATOM 915 O LEU A 81 88.186 2.051 -6.643 1.00 0.00 O ATOM 916 CB LEU A 81 86.275 4.234 -5.658 1.00 0.00 C ATOM 917 CG LEU A 81 85.080 4.986 -5.068 1.00 0.00 C ATOM 918 CD1 LEU A 81 83.753 4.238 -5.210 1.00 0.00 C ATOM 919 CD2 LEU A 81 85.330 5.448 -3.626 1.00 0.00 C ATOM 0 H LEU A 81 86.073 2.969 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 81 85.602 2.238 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 81 87.193 4.639 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.313 4.417 -6.732 1.00 0.00 H new ATOM 0 HG LEU A 81 84.979 5.884 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 81 82.952 4.831 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 81 83.541 4.070 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.819 3.279 -4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 81 84.451 5.976 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.525 4.581 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.191 6.116 -3.602 1.00 0.00 H new ATOM 931 N SER A 82 88.212 1.823 -4.373 1.00 0.00 N ATOM 932 CA SER A 82 89.564 1.303 -4.334 1.00 0.00 C ATOM 933 C SER A 82 89.716 0.572 -2.995 1.00 0.00 C ATOM 934 O SER A 82 88.885 0.703 -2.106 1.00 0.00 O ATOM 935 CB SER A 82 90.593 2.445 -4.494 1.00 0.00 C ATOM 936 OG SER A 82 90.072 3.634 -5.070 1.00 0.00 O ATOM 0 H SER A 82 87.755 1.908 -3.465 1.00 0.00 H new ATOM 0 HA SER A 82 89.750 0.614 -5.158 1.00 0.00 H new ATOM 0 HB2 SER A 82 91.007 2.683 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 82 91.418 2.089 -5.111 1.00 0.00 H new ATOM 0 HG SER A 82 90.783 4.305 -5.135 1.00 0.00 H new ATOM 942 N ASP A 83 90.831 -0.179 -2.898 1.00 0.00 N ATOM 943 CA ASP A 83 91.186 -0.904 -1.672 1.00 0.00 C ATOM 944 C ASP A 83 91.111 -0.034 -0.396 1.00 0.00 C ATOM 945 O ASP A 83 90.836 -0.541 0.685 1.00 0.00 O ATOM 946 CB ASP A 83 92.593 -1.520 -1.805 1.00 0.00 C ATOM 947 CG ASP A 83 93.573 -0.572 -2.529 1.00 0.00 C ATOM 948 OD1 ASP A 83 94.098 0.339 -1.892 1.00 0.00 O ATOM 949 OD2 ASP A 83 93.793 -0.756 -3.726 1.00 0.00 O ATOM 0 H ASP A 83 91.500 -0.296 -3.659 1.00 0.00 H new ATOM 0 HA ASP A 83 90.441 -1.691 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 83 92.981 -1.755 -0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 83 92.527 -2.460 -2.352 1.00 0.00 H new ATOM 954 N ASP A 84 91.363 1.282 -0.588 1.00 0.00 N ATOM 955 CA ASP A 84 91.395 2.213 0.536 1.00 0.00 C ATOM 956 C ASP A 84 90.516 3.453 0.308 1.00 0.00 C ATOM 957 O ASP A 84 90.322 4.247 1.221 1.00 0.00 O ATOM 958 CB ASP A 84 92.863 2.622 0.787 1.00 0.00 C ATOM 959 CG ASP A 84 93.312 2.234 2.206 1.00 0.00 C ATOM 960 OD1 ASP A 84 92.652 2.637 3.164 1.00 0.00 O ATOM 961 OD2 ASP A 84 94.312 1.531 2.339 1.00 0.00 O ATOM 0 H ASP A 84 91.543 1.706 -1.498 1.00 0.00 H new ATOM 0 HA ASP A 84 90.982 1.711 1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 84 93.509 2.139 0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 84 92.973 3.698 0.649 1.00 0.00 H new ATOM 966 N ARG A 85 90.005 3.585 -0.934 1.00 0.00 N ATOM 967 CA ARG A 85 89.203 4.747 -1.286 1.00 0.00 C ATOM 968 C ARG A 85 87.720 4.387 -1.149 1.00 0.00 C ATOM 969 O ARG A 85 87.217 3.494 -1.820 1.00 0.00 O ATOM 970 CB ARG A 85 89.547 5.159 -2.724 1.00 0.00 C ATOM 971 CG ARG A 85 89.950 6.616 -2.863 1.00 0.00 C ATOM 972 CD ARG A 85 88.816 7.560 -2.483 1.00 0.00 C ATOM 973 NE ARG A 85 89.383 8.806 -1.999 1.00 0.00 N ATOM 974 CZ ARG A 85 89.535 8.984 -0.671 1.00 0.00 C ATOM 975 NH1 ARG A 85 90.548 8.413 -0.022 1.00 0.00 N ATOM 976 NH2 ARG A 85 88.650 9.721 -0.012 1.00 0.00 N ATOM 0 H ARG A 85 90.136 2.910 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 85 89.414 5.586 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 85 90.360 4.530 -3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 85 88.685 4.967 -3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 85 90.815 6.815 -2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 85 90.255 6.811 -3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 85 88.176 7.747 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 85 88.190 7.107 -1.714 1.00 0.00 H new ATOM 0 HE ARG A 85 89.662 9.536 -2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 85 91.218 7.835 -0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 85 90.654 8.554 0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 85 87.867 10.144 -0.510 1.00 0.00 H new ATOM 0 HH22 ARG A 85 88.753 9.864 0.993 1.00 0.00 H new ATOM 990 N LYS A 86 87.069 5.142 -0.242 1.00 0.00 N ATOM 991 CA LYS A 86 85.651 4.977 0.039 1.00 0.00 C ATOM 992 C LYS A 86 84.963 6.343 -0.075 1.00 0.00 C ATOM 993 O LYS A 86 85.553 7.385 0.182 1.00 0.00 O ATOM 994 CB LYS A 86 85.495 4.387 1.447 1.00 0.00 C ATOM 995 CG LYS A 86 85.185 2.893 1.403 1.00 0.00 C ATOM 996 CD LYS A 86 85.050 2.303 2.812 1.00 0.00 C ATOM 997 CE LYS A 86 86.323 1.594 3.287 1.00 0.00 C ATOM 998 NZ LYS A 86 87.031 2.401 4.270 1.00 0.00 N ATOM 0 H LYS A 86 87.518 5.875 0.307 1.00 0.00 H new ATOM 0 HA LYS A 86 85.185 4.297 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 86 86.411 4.552 2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 86 84.696 4.909 1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 86 84.261 2.729 0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 86 85.977 2.372 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 86 84.802 3.101 3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 86 84.220 1.597 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 86 86.066 0.628 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 86 86.974 1.397 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 87.889 1.900 4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 87.295 3.313 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 86.415 2.567 5.091 1.00 0.00 H new ATOM 1012 N LEU A 87 83.683 6.254 -0.485 1.00 0.00 N ATOM 1013 CA LEU A 87 82.835 7.406 -0.727 1.00 0.00 C ATOM 1014 C LEU A 87 81.597 7.287 0.140 1.00 0.00 C ATOM 1015 O LEU A 87 81.297 6.221 0.646 1.00 0.00 O ATOM 1016 CB LEU A 87 82.464 7.458 -2.214 1.00 0.00 C ATOM 1017 CG LEU A 87 83.322 8.504 -2.930 1.00 0.00 C ATOM 1018 CD1 LEU A 87 83.036 8.444 -4.416 1.00 0.00 C ATOM 1019 CD2 LEU A 87 83.095 9.915 -2.377 1.00 0.00 C ATOM 0 H LEU A 87 83.216 5.363 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 87 83.357 8.329 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 87 82.614 6.479 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 87 81.408 7.703 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 87 84.372 8.273 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 87 83.643 9.186 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 87 83.278 7.450 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 87 81.981 8.652 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 87 83.725 10.623 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 87 82.048 10.191 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 87 83.350 9.936 -1.317 1.00 0.00 H new ATOM 1031 N LYS A 88 80.920 8.448 0.286 1.00 0.00 N ATOM 1032 CA LYS A 88 79.738 8.551 1.128 1.00 0.00 C ATOM 1033 C LYS A 88 78.525 8.967 0.297 1.00 0.00 C ATOM 1034 O LYS A 88 78.597 9.875 -0.522 1.00 0.00 O ATOM 1035 CB LYS A 88 80.023 9.589 2.210 1.00 0.00 C ATOM 1036 CG LYS A 88 79.032 9.508 3.374 1.00 0.00 C ATOM 1037 CD LYS A 88 79.668 9.966 4.694 1.00 0.00 C ATOM 1038 CE LYS A 88 79.081 11.281 5.208 1.00 0.00 C ATOM 1039 NZ LYS A 88 78.194 11.024 6.330 1.00 0.00 N ATOM 0 H LYS A 88 81.183 9.319 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 88 79.513 7.585 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 88 81.035 9.447 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 88 79.984 10.586 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 88 78.162 10.127 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 88 78.676 8.483 3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 88 79.528 9.191 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 88 80.743 10.083 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.884 11.952 5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 88 78.534 11.782 4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 77.466 11.766 6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 77.737 10.098 6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 78.743 11.024 7.213 1.00 0.00 H new ATOM 1053 N ILE A 89 77.414 8.245 0.566 1.00 0.00 N ATOM 1054 CA ILE A 89 76.172 8.463 -0.160 1.00 0.00 C ATOM 1055 C ILE A 89 75.183 9.181 0.778 1.00 0.00 C ATOM 1056 O ILE A 89 74.994 8.746 1.916 1.00 0.00 O ATOM 1057 CB ILE A 89 75.577 7.132 -0.646 1.00 0.00 C ATOM 1058 CG1 ILE A 89 76.692 6.215 -1.185 1.00 0.00 C ATOM 1059 CG2 ILE A 89 74.451 7.349 -1.671 1.00 0.00 C ATOM 1060 CD1 ILE A 89 76.174 4.992 -1.924 1.00 0.00 C ATOM 0 H ILE A 89 77.366 7.515 1.277 1.00 0.00 H new ATOM 0 HA ILE A 89 76.367 9.075 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 89 75.116 6.631 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 89 77.331 6.790 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 89 77.316 5.888 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 89 74.058 6.384 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 89 73.652 7.934 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 89 74.844 7.883 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 89 77.016 4.395 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 89 75.559 4.394 -1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 89 75.575 5.309 -2.777 1.00 0.00 H new ATOM 1072 N PRO A 90 74.556 10.281 0.236 1.00 0.00 N ATOM 1073 CA PRO A 90 73.555 11.064 0.957 1.00 0.00 C ATOM 1074 C PRO A 90 72.254 10.259 1.057 1.00 0.00 C ATOM 1075 O PRO A 90 72.104 9.217 0.432 1.00 0.00 O ATOM 1076 CB PRO A 90 73.348 12.324 0.100 1.00 0.00 C ATOM 1077 CG PRO A 90 73.730 11.903 -1.309 1.00 0.00 C ATOM 1078 CD PRO A 90 74.766 10.783 -1.127 1.00 0.00 C ATOM 0 HA PRO A 90 73.862 11.313 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 90 72.314 12.667 0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 90 73.972 13.147 0.450 1.00 0.00 H new ATOM 0 HG2 PRO A 90 72.861 11.549 -1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 90 74.148 12.739 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 90 74.624 9.992 -1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 90 75.780 11.160 -1.255 1.00 0.00 H new ATOM 1086 N GLU A 91 71.347 10.804 1.892 1.00 0.00 N ATOM 1087 CA GLU A 91 70.092 10.142 2.228 1.00 0.00 C ATOM 1088 C GLU A 91 69.201 9.805 1.010 1.00 0.00 C ATOM 1089 O GLU A 91 68.364 8.923 1.113 1.00 0.00 O ATOM 1090 CB GLU A 91 69.334 11.035 3.225 1.00 0.00 C ATOM 1091 CG GLU A 91 67.914 10.543 3.565 1.00 0.00 C ATOM 1092 CD GLU A 91 67.144 11.549 4.434 1.00 0.00 C ATOM 1093 OE1 GLU A 91 67.698 12.028 5.423 1.00 0.00 O ATOM 1094 OE2 GLU A 91 65.994 11.846 4.109 1.00 0.00 O ATOM 0 H GLU A 91 71.472 11.710 2.344 1.00 0.00 H new ATOM 0 HA GLU A 91 70.339 9.175 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 91 69.913 11.103 4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 91 69.268 12.043 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 91 67.362 10.366 2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 91 67.977 9.588 4.087 1.00 0.00 H new ATOM 1101 N ASN A 92 69.371 10.528 -0.120 1.00 0.00 N ATOM 1102 CA ASN A 92 68.431 10.332 -1.231 1.00 0.00 C ATOM 1103 C ASN A 92 69.138 10.301 -2.587 1.00 0.00 C ATOM 1104 O ASN A 92 68.504 10.405 -3.630 1.00 0.00 O ATOM 1105 CB ASN A 92 67.382 11.459 -1.225 1.00 0.00 C ATOM 1106 CG ASN A 92 65.954 10.953 -1.507 1.00 0.00 C ATOM 1107 OD1 ASN A 92 65.030 11.241 -0.758 1.00 0.00 O ATOM 1108 ND2 ASN A 92 65.819 10.191 -2.610 1.00 0.00 N ATOM 0 H ASN A 92 70.109 11.214 -0.278 1.00 0.00 H new ATOM 0 HA ASN A 92 67.949 9.365 -1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 92 67.400 11.959 -0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 92 67.652 12.204 -1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 92 64.904 9.817 -2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 92 66.631 9.988 -3.192 1.00 0.00 H new ATOM 1115 N ALA A 93 70.473 10.138 -2.535 1.00 0.00 N ATOM 1116 CA ALA A 93 71.185 9.957 -3.788 1.00 0.00 C ATOM 1117 C ALA A 93 70.758 8.621 -4.355 1.00 0.00 C ATOM 1118 O ALA A 93 71.013 7.584 -3.756 1.00 0.00 O ATOM 1119 CB ALA A 93 72.678 9.862 -3.518 1.00 0.00 C ATOM 0 H ALA A 93 71.042 10.129 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 93 70.973 10.788 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 93 73.210 9.726 -4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 93 73.020 10.778 -3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 93 72.876 9.013 -2.864 1.00 0.00 H new ATOM 1125 N ASN A 94 70.121 8.725 -5.542 1.00 0.00 N ATOM 1126 CA ASN A 94 69.800 7.548 -6.325 1.00 0.00 C ATOM 1127 C ASN A 94 71.072 6.724 -6.439 1.00 0.00 C ATOM 1128 O ASN A 94 71.984 7.116 -7.147 1.00 0.00 O ATOM 1129 CB ASN A 94 69.367 8.010 -7.721 1.00 0.00 C ATOM 1130 CG ASN A 94 68.085 8.844 -7.619 1.00 0.00 C ATOM 1131 OD1 ASN A 94 67.057 8.388 -7.137 1.00 0.00 O ATOM 1132 ND2 ASN A 94 68.224 10.101 -8.066 1.00 0.00 N ATOM 0 H ASN A 94 69.829 9.608 -5.961 1.00 0.00 H new ATOM 0 HA ASN A 94 69.003 6.961 -5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 94 70.160 8.600 -8.181 1.00 0.00 H new ATOM 0 HB3 ASN A 94 69.199 7.146 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 94 67.438 10.750 -8.016 1.00 0.00 H new ATOM 0 HD22 ASN A 94 69.115 10.408 -8.456 1.00 0.00 H new ATOM 1139 N VAL A 95 71.103 5.619 -5.652 1.00 0.00 N ATOM 1140 CA VAL A 95 72.303 4.796 -5.590 1.00 0.00 C ATOM 1141 C VAL A 95 72.741 4.451 -7.009 1.00 0.00 C ATOM 1142 O VAL A 95 73.855 4.736 -7.385 1.00 0.00 O ATOM 1143 CB VAL A 95 72.061 3.555 -4.725 1.00 0.00 C ATOM 1144 CG1 VAL A 95 73.099 2.437 -4.999 1.00 0.00 C ATOM 1145 CG2 VAL A 95 72.024 3.895 -3.234 1.00 0.00 C ATOM 0 H VAL A 95 70.327 5.297 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 95 73.114 5.346 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 95 71.080 3.175 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 95 72.886 1.578 -4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 95 73.042 2.136 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 95 74.100 2.809 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 95 71.850 2.986 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 95 72.976 4.336 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 95 71.220 4.605 -3.043 1.00 0.00 H new ATOM 1155 N PHE A 96 71.805 3.910 -7.806 1.00 0.00 N ATOM 1156 CA PHE A 96 72.138 3.573 -9.187 1.00 0.00 C ATOM 1157 C PHE A 96 72.845 4.707 -9.996 1.00 0.00 C ATOM 1158 O PHE A 96 73.578 4.443 -10.941 1.00 0.00 O ATOM 1159 CB PHE A 96 70.835 3.157 -9.885 1.00 0.00 C ATOM 1160 CG PHE A 96 71.087 2.473 -11.199 1.00 0.00 C ATOM 1161 CD1 PHE A 96 72.004 1.430 -11.286 1.00 0.00 C ATOM 1162 CD2 PHE A 96 70.414 2.874 -12.348 1.00 0.00 C ATOM 1163 CE1 PHE A 96 72.256 0.808 -12.498 1.00 0.00 C ATOM 1164 CE2 PHE A 96 70.660 2.247 -13.563 1.00 0.00 C ATOM 1165 CZ PHE A 96 71.581 1.212 -13.637 1.00 0.00 C ATOM 0 H PHE A 96 70.846 3.705 -7.525 1.00 0.00 H new ATOM 0 HA PHE A 96 72.871 2.767 -9.156 1.00 0.00 H new ATOM 0 HB2 PHE A 96 70.272 2.490 -9.232 1.00 0.00 H new ATOM 0 HB3 PHE A 96 70.216 4.039 -10.049 1.00 0.00 H new ATOM 0 HD1 PHE A 96 72.525 1.102 -10.399 1.00 0.00 H new ATOM 0 HD2 PHE A 96 69.695 3.678 -12.295 1.00 0.00 H new ATOM 0 HE1 PHE A 96 72.979 0.008 -12.554 1.00 0.00 H new ATOM 0 HE2 PHE A 96 70.134 2.566 -14.451 1.00 0.00 H new ATOM 0 HZ PHE A 96 71.771 0.723 -14.581 1.00 0.00 H new ATOM 1175 N TYR A 97 72.586 5.960 -9.557 1.00 0.00 N ATOM 1176 CA TYR A 97 73.097 7.173 -10.191 1.00 0.00 C ATOM 1177 C TYR A 97 74.194 7.937 -9.401 1.00 0.00 C ATOM 1178 O TYR A 97 74.707 8.928 -9.906 1.00 0.00 O ATOM 1179 CB TYR A 97 71.891 8.101 -10.431 1.00 0.00 C ATOM 1180 CG TYR A 97 71.539 8.164 -11.886 1.00 0.00 C ATOM 1181 CD1 TYR A 97 72.387 8.814 -12.775 1.00 0.00 C ATOM 1182 CD2 TYR A 97 70.376 7.572 -12.361 1.00 0.00 C ATOM 1183 CE1 TYR A 97 72.077 8.868 -14.126 1.00 0.00 C ATOM 1184 CE2 TYR A 97 70.059 7.626 -13.711 1.00 0.00 C ATOM 1185 CZ TYR A 97 70.914 8.276 -14.600 1.00 0.00 C ATOM 1186 OH TYR A 97 70.637 8.351 -15.953 1.00 0.00 O ATOM 0 H TYR A 97 72.006 6.148 -8.739 1.00 0.00 H new ATOM 0 HA TYR A 97 73.595 6.864 -11.110 1.00 0.00 H new ATOM 0 HB2 TYR A 97 71.034 7.742 -9.862 1.00 0.00 H new ATOM 0 HB3 TYR A 97 72.120 9.102 -10.066 1.00 0.00 H new ATOM 0 HD1 TYR A 97 73.292 9.279 -12.412 1.00 0.00 H new ATOM 0 HD2 TYR A 97 69.713 7.066 -11.675 1.00 0.00 H new ATOM 0 HE1 TYR A 97 72.742 9.372 -14.811 1.00 0.00 H new ATOM 0 HE2 TYR A 97 69.152 7.165 -14.072 1.00 0.00 H new ATOM 0 HH TYR A 97 69.792 7.892 -16.140 1.00 0.00 H new ATOM 1196 N ALA A 98 74.526 7.479 -8.170 1.00 0.00 N ATOM 1197 CA ALA A 98 75.452 8.224 -7.308 1.00 0.00 C ATOM 1198 C ALA A 98 76.845 7.601 -7.316 1.00 0.00 C ATOM 1199 O ALA A 98 77.782 8.168 -7.867 1.00 0.00 O ATOM 1200 CB ALA A 98 74.890 8.337 -5.887 1.00 0.00 C ATOM 0 H ALA A 98 74.170 6.613 -7.765 1.00 0.00 H new ATOM 0 HA ALA A 98 75.553 9.232 -7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 98 75.590 8.892 -5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 98 73.934 8.860 -5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 98 74.746 7.339 -5.472 1.00 0.00 H new ATOM 1206 N MET A 99 76.911 6.412 -6.675 1.00 0.00 N ATOM 1207 CA MET A 99 78.102 5.569 -6.630 1.00 0.00 C ATOM 1208 C MET A 99 78.892 5.651 -7.951 1.00 0.00 C ATOM 1209 O MET A 99 78.340 5.489 -9.027 1.00 0.00 O ATOM 1210 CB MET A 99 77.700 4.103 -6.358 1.00 0.00 C ATOM 1211 CG MET A 99 76.302 3.753 -6.853 1.00 0.00 C ATOM 1212 SD MET A 99 76.094 4.065 -8.620 1.00 0.00 S ATOM 1213 CE MET A 99 76.548 2.436 -9.221 1.00 0.00 C ATOM 0 H MET A 99 76.119 6.015 -6.170 1.00 0.00 H new ATOM 0 HA MET A 99 78.741 5.930 -5.824 1.00 0.00 H new ATOM 0 HB2 MET A 99 78.422 3.442 -6.837 1.00 0.00 H new ATOM 0 HB3 MET A 99 77.755 3.912 -5.286 1.00 0.00 H new ATOM 0 HG2 MET A 99 76.100 2.702 -6.647 1.00 0.00 H new ATOM 0 HG3 MET A 99 75.567 4.334 -6.296 1.00 0.00 H new ATOM 0 HE1 MET A 99 76.483 2.419 -10.309 1.00 0.00 H new ATOM 0 HE2 MET A 99 77.568 2.206 -8.914 1.00 0.00 H new ATOM 0 HE3 MET A 99 75.868 1.692 -8.805 1.00 0.00 H new ATOM 1223 N ASN A 100 80.197 5.936 -7.791 1.00 0.00 N ATOM 1224 CA ASN A 100 81.176 5.986 -8.872 1.00 0.00 C ATOM 1225 C ASN A 100 81.015 4.772 -9.789 1.00 0.00 C ATOM 1226 O ASN A 100 81.509 3.685 -9.521 1.00 0.00 O ATOM 1227 CB ASN A 100 82.608 5.989 -8.308 1.00 0.00 C ATOM 1228 CG ASN A 100 82.823 7.194 -7.388 1.00 0.00 C ATOM 1229 OD1 ASN A 100 81.890 7.736 -6.813 1.00 0.00 O ATOM 1230 ND2 ASN A 100 84.104 7.579 -7.274 1.00 0.00 N ATOM 0 H ASN A 100 80.602 6.142 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 100 81.005 6.903 -9.436 1.00 0.00 H new ATOM 0 HB2 ASN A 100 82.789 5.067 -7.756 1.00 0.00 H new ATOM 0 HB3 ASN A 100 83.327 6.017 -9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 100 84.348 8.370 -6.678 1.00 0.00 H new ATOM 0 HD22 ASN A 100 84.834 7.080 -7.783 1.00 0.00 H new ATOM 1237 N SER A 101 80.268 5.038 -10.878 1.00 0.00 N ATOM 1238 CA SER A 101 79.878 3.956 -11.767 1.00 0.00 C ATOM 1239 C SER A 101 81.101 3.351 -12.478 1.00 0.00 C ATOM 1240 O SER A 101 81.111 2.191 -12.869 1.00 0.00 O ATOM 1241 CB SER A 101 78.864 4.499 -12.791 1.00 0.00 C ATOM 1242 OG SER A 101 78.033 3.493 -13.339 1.00 0.00 O ATOM 0 H SER A 101 79.938 5.965 -11.147 1.00 0.00 H new ATOM 0 HA SER A 101 79.419 3.158 -11.183 1.00 0.00 H new ATOM 0 HB2 SER A 101 78.241 5.254 -12.311 1.00 0.00 H new ATOM 0 HB3 SER A 101 79.403 4.996 -13.598 1.00 0.00 H new ATOM 0 HG SER A 101 77.410 3.896 -13.980 1.00 0.00 H new ATOM 1248 N THR A 102 82.135 4.218 -12.583 1.00 0.00 N ATOM 1249 CA THR A 102 83.400 3.872 -13.213 1.00 0.00 C ATOM 1250 C THR A 102 84.305 2.972 -12.336 1.00 0.00 C ATOM 1251 O THR A 102 85.464 2.761 -12.669 1.00 0.00 O ATOM 1252 CB THR A 102 84.138 5.191 -13.510 1.00 0.00 C ATOM 1253 OG1 THR A 102 85.179 4.994 -14.443 1.00 0.00 O ATOM 1254 CG2 THR A 102 84.648 5.895 -12.232 1.00 0.00 C ATOM 0 H THR A 102 82.101 5.174 -12.229 1.00 0.00 H new ATOM 0 HA THR A 102 83.183 3.299 -14.114 1.00 0.00 H new ATOM 0 HB THR A 102 83.406 5.864 -13.957 1.00 0.00 H new ATOM 0 HG1 THR A 102 85.654 4.163 -14.232 1.00 0.00 H new ATOM 0 HG21 THR A 102 85.159 6.818 -12.505 1.00 0.00 H new ATOM 0 HG22 THR A 102 83.804 6.126 -11.582 1.00 0.00 H new ATOM 0 HG23 THR A 102 85.341 5.238 -11.707 1.00 0.00 H new ATOM 1262 N ALA A 103 83.745 2.488 -11.202 1.00 0.00 N ATOM 1263 CA ALA A 103 84.525 1.725 -10.235 1.00 0.00 C ATOM 1264 C ALA A 103 83.973 0.292 -10.155 1.00 0.00 C ATOM 1265 O ALA A 103 84.070 -0.464 -11.114 1.00 0.00 O ATOM 1266 CB ALA A 103 84.527 2.480 -8.901 1.00 0.00 C ATOM 0 H ALA A 103 82.766 2.617 -10.948 1.00 0.00 H new ATOM 0 HA ALA A 103 85.568 1.627 -10.538 1.00 0.00 H new ATOM 0 HB1 ALA A 103 85.107 1.921 -8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 103 84.972 3.465 -9.041 1.00 0.00 H new ATOM 0 HB3 ALA A 103 83.503 2.592 -8.545 1.00 0.00 H new ATOM 1272 N ASN A 104 83.402 -0.038 -8.973 1.00 0.00 N ATOM 1273 CA ASN A 104 82.861 -1.370 -8.744 1.00 0.00 C ATOM 1274 C ASN A 104 81.584 -1.238 -7.904 1.00 0.00 C ATOM 1275 O ASN A 104 81.256 -0.170 -7.400 1.00 0.00 O ATOM 1276 CB ASN A 104 83.928 -2.237 -8.039 1.00 0.00 C ATOM 1277 CG ASN A 104 83.935 -3.684 -8.576 1.00 0.00 C ATOM 1278 OD1 ASN A 104 83.535 -3.955 -9.701 1.00 0.00 O ATOM 1279 ND2 ASN A 104 84.417 -4.592 -7.711 1.00 0.00 N ATOM 0 H ASN A 104 83.311 0.600 -8.182 1.00 0.00 H new ATOM 0 HA ASN A 104 82.606 -1.859 -9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 104 84.912 -1.791 -8.183 1.00 0.00 H new ATOM 0 HB3 ASN A 104 83.737 -2.248 -6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 104 84.466 -5.575 -7.978 1.00 0.00 H new ATOM 0 HD22 ASN A 104 84.734 -4.298 -6.787 1.00 0.00 H new ATOM 1286 N TYR A 105 80.886 -2.389 -7.805 1.00 0.00 N ATOM 1287 CA TYR A 105 79.597 -2.441 -7.126 1.00 0.00 C ATOM 1288 C TYR A 105 79.781 -2.930 -5.684 1.00 0.00 C ATOM 1289 O TYR A 105 79.131 -3.880 -5.263 1.00 0.00 O ATOM 1290 CB TYR A 105 78.666 -3.385 -7.914 1.00 0.00 C ATOM 1291 CG TYR A 105 78.113 -2.711 -9.138 1.00 0.00 C ATOM 1292 CD1 TYR A 105 78.926 -2.410 -10.226 1.00 0.00 C ATOM 1293 CD2 TYR A 105 76.770 -2.358 -9.189 1.00 0.00 C ATOM 1294 CE1 TYR A 105 78.409 -1.755 -11.333 1.00 0.00 C ATOM 1295 CE2 TYR A 105 76.252 -1.691 -10.287 1.00 0.00 C ATOM 1296 CZ TYR A 105 77.070 -1.392 -11.371 1.00 0.00 C ATOM 1297 OH TYR A 105 76.585 -0.740 -12.491 1.00 0.00 O ATOM 0 H TYR A 105 81.199 -3.281 -8.187 1.00 0.00 H new ATOM 0 HA TYR A 105 79.152 -1.447 -7.085 1.00 0.00 H new ATOM 0 HB2 TYR A 105 79.215 -4.280 -8.206 1.00 0.00 H new ATOM 0 HB3 TYR A 105 77.846 -3.709 -7.273 1.00 0.00 H new ATOM 0 HD1 TYR A 105 79.969 -2.689 -10.208 1.00 0.00 H new ATOM 0 HD2 TYR A 105 76.122 -2.607 -8.362 1.00 0.00 H new ATOM 0 HE1 TYR A 105 79.052 -1.526 -12.170 1.00 0.00 H new ATOM 0 HE2 TYR A 105 75.211 -1.403 -10.301 1.00 0.00 H new ATOM 0 HH TYR A 105 75.631 -0.551 -12.372 1.00 0.00 H new ATOM 1307 N ASP A 106 80.699 -2.243 -4.953 1.00 0.00 N ATOM 1308 CA ASP A 106 80.988 -2.678 -3.589 1.00 0.00 C ATOM 1309 C ASP A 106 80.624 -1.515 -2.662 1.00 0.00 C ATOM 1310 O ASP A 106 80.849 -0.361 -2.994 1.00 0.00 O ATOM 1311 CB ASP A 106 82.481 -3.014 -3.476 1.00 0.00 C ATOM 1312 CG ASP A 106 83.038 -3.879 -4.622 1.00 0.00 C ATOM 1313 OD1 ASP A 106 82.292 -4.628 -5.256 1.00 0.00 O ATOM 1314 OD2 ASP A 106 84.239 -3.783 -4.866 1.00 0.00 O ATOM 0 H ASP A 106 81.220 -1.428 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 106 80.418 -3.567 -3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 106 83.046 -2.083 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 106 82.652 -3.532 -2.533 1.00 0.00 H new ATOM 1319 N PHE A 107 80.004 -1.878 -1.520 1.00 0.00 N ATOM 1320 CA PHE A 107 79.417 -0.906 -0.607 1.00 0.00 C ATOM 1321 C PHE A 107 79.729 -1.372 0.824 1.00 0.00 C ATOM 1322 O PHE A 107 79.842 -2.556 1.092 1.00 0.00 O ATOM 1323 CB PHE A 107 77.895 -0.776 -0.868 1.00 0.00 C ATOM 1324 CG PHE A 107 77.618 -0.101 -2.185 1.00 0.00 C ATOM 1325 CD1 PHE A 107 77.684 -0.832 -3.367 1.00 0.00 C ATOM 1326 CD2 PHE A 107 77.320 1.257 -2.244 1.00 0.00 C ATOM 1327 CE1 PHE A 107 77.502 -0.216 -4.591 1.00 0.00 C ATOM 1328 CE2 PHE A 107 77.107 1.869 -3.471 1.00 0.00 C ATOM 1329 CZ PHE A 107 77.216 1.128 -4.637 1.00 0.00 C ATOM 0 H PHE A 107 79.903 -2.847 -1.217 1.00 0.00 H new ATOM 0 HA PHE A 107 79.839 0.087 -0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 107 77.438 -1.765 -0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 107 77.434 -0.206 -0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 107 77.880 -1.893 -3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 107 77.254 1.835 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 107 77.584 -0.786 -5.504 1.00 0.00 H new ATOM 0 HE2 PHE A 107 76.857 2.919 -3.517 1.00 0.00 H new ATOM 0 HZ PHE A 107 77.075 1.612 -5.592 1.00 0.00 H new ATOM 1339 N VAL A 108 79.896 -0.380 1.717 1.00 0.00 N ATOM 1340 CA VAL A 108 80.086 -0.607 3.136 1.00 0.00 C ATOM 1341 C VAL A 108 78.853 -0.043 3.843 1.00 0.00 C ATOM 1342 O VAL A 108 78.286 0.968 3.458 1.00 0.00 O ATOM 1343 CB VAL A 108 81.409 0.056 3.572 1.00 0.00 C ATOM 1344 CG1 VAL A 108 81.480 0.367 5.072 1.00 0.00 C ATOM 1345 CG2 VAL A 108 82.611 -0.781 3.140 1.00 0.00 C ATOM 0 H VAL A 108 79.901 0.606 1.458 1.00 0.00 H new ATOM 0 HA VAL A 108 80.174 -1.662 3.394 1.00 0.00 H new ATOM 0 HB VAL A 108 81.439 1.018 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 108 82.439 0.831 5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 108 80.673 1.048 5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 108 81.379 -0.558 5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 108 83.530 -0.290 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 108 82.549 -1.769 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 108 82.613 -0.882 2.055 1.00 0.00 H new ATOM 1355 N LEU A 109 78.484 -0.797 4.891 1.00 0.00 N ATOM 1356 CA LEU A 109 77.358 -0.486 5.742 1.00 0.00 C ATOM 1357 C LEU A 109 77.906 -0.147 7.123 1.00 0.00 C ATOM 1358 O LEU A 109 78.293 -1.023 7.881 1.00 0.00 O ATOM 1359 CB LEU A 109 76.450 -1.720 5.849 1.00 0.00 C ATOM 1360 CG LEU A 109 75.101 -1.411 6.498 1.00 0.00 C ATOM 1361 CD1 LEU A 109 74.247 -0.472 5.655 1.00 0.00 C ATOM 1362 CD2 LEU A 109 74.276 -2.656 6.823 1.00 0.00 C ATOM 0 H LEU A 109 78.976 -1.648 5.162 1.00 0.00 H new ATOM 0 HA LEU A 109 76.785 0.348 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 109 76.283 -2.129 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 109 76.959 -2.490 6.429 1.00 0.00 H new ATOM 0 HG LEU A 109 75.367 -0.921 7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 109 73.301 -0.286 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 109 74.774 0.471 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 109 74.054 -0.928 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 109 73.333 -2.358 7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 109 74.075 -3.209 5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 109 74.831 -3.290 7.515 1.00 0.00 H new ATOM 1374 N LYS A 110 77.911 1.164 7.400 1.00 0.00 N ATOM 1375 CA LYS A 110 78.443 1.660 8.656 1.00 0.00 C ATOM 1376 C LYS A 110 77.292 2.059 9.530 1.00 0.00 C ATOM 1377 O LYS A 110 76.217 2.304 9.030 1.00 0.00 O ATOM 1378 CB LYS A 110 79.306 2.881 8.359 1.00 0.00 C ATOM 1379 CG LYS A 110 80.770 2.536 8.446 1.00 0.00 C ATOM 1380 CD LYS A 110 81.684 3.742 8.335 1.00 0.00 C ATOM 1381 CE LYS A 110 81.853 4.442 9.688 1.00 0.00 C ATOM 1382 NZ LYS A 110 83.261 4.519 10.042 1.00 0.00 N ATOM 0 H LYS A 110 77.555 1.885 6.773 1.00 0.00 H new ATOM 0 HA LYS A 110 79.040 0.898 9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 110 79.076 3.261 7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 110 79.073 3.677 9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 110 80.961 2.032 9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 110 81.016 1.829 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 110 82.659 3.428 7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 110 81.275 4.445 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 110 81.427 5.444 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 110 81.306 3.898 10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 83.362 4.995 10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 83.656 3.559 10.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 83.773 5.058 9.314 1.00 0.00 H new ATOM 1396 N LYS A 111 77.570 2.121 10.841 1.00 0.00 N ATOM 1397 CA LYS A 111 76.560 2.583 11.776 1.00 0.00 C ATOM 1398 C LYS A 111 76.765 4.084 12.018 1.00 0.00 C ATOM 1399 O LYS A 111 77.872 4.593 11.889 1.00 0.00 O ATOM 1400 CB LYS A 111 76.715 1.777 13.066 1.00 0.00 C ATOM 1401 CG LYS A 111 75.396 1.156 13.497 1.00 0.00 C ATOM 1402 CD LYS A 111 75.482 0.673 14.931 1.00 0.00 C ATOM 1403 CE LYS A 111 76.416 -0.514 15.116 1.00 0.00 C ATOM 1404 NZ LYS A 111 77.620 -0.050 15.779 1.00 0.00 N ATOM 0 H LYS A 111 78.464 1.863 11.260 1.00 0.00 H new ATOM 0 HA LYS A 111 75.551 2.439 11.389 1.00 0.00 H new ATOM 0 HB2 LYS A 111 77.457 0.992 12.919 1.00 0.00 H new ATOM 0 HB3 LYS A 111 77.089 2.425 13.858 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.594 1.888 13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 111 75.148 0.322 12.840 1.00 0.00 H new ATOM 0 HD2 LYS A 111 75.821 1.494 15.563 1.00 0.00 H new ATOM 0 HD3 LYS A 111 74.485 0.398 15.274 1.00 0.00 H new ATOM 0 HE2 LYS A 111 75.931 -1.289 15.709 1.00 0.00 H new ATOM 0 HE3 LYS A 111 76.661 -0.958 14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 78.272 -0.849 15.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 78.080 0.677 15.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 77.373 0.355 16.704 1.00 0.00 H new ATOM 1418 N ARG A 112 75.642 4.748 12.382 1.00 0.00 N ATOM 1419 CA ARG A 112 75.637 6.181 12.686 1.00 0.00 C ATOM 1420 C ARG A 112 76.084 6.460 14.131 1.00 0.00 C ATOM 1421 O ARG A 112 75.443 7.184 14.884 1.00 0.00 O ATOM 1422 CB ARG A 112 74.220 6.729 12.435 1.00 0.00 C ATOM 1423 CG ARG A 112 74.196 7.800 11.351 1.00 0.00 C ATOM 1424 CD ARG A 112 74.602 9.176 11.901 1.00 0.00 C ATOM 1425 NE ARG A 112 73.549 10.150 11.646 1.00 0.00 N ATOM 1426 CZ ARG A 112 72.466 10.168 12.452 1.00 0.00 C ATOM 1427 NH1 ARG A 112 71.412 9.394 12.197 1.00 0.00 N ATOM 1428 NH2 ARG A 112 72.461 10.968 13.512 1.00 0.00 N ATOM 0 H ARG A 112 74.729 4.303 12.470 1.00 0.00 H new ATOM 0 HA ARG A 112 76.352 6.685 12.036 1.00 0.00 H new ATOM 0 HB2 ARG A 112 73.562 5.909 12.147 1.00 0.00 H new ATOM 0 HB3 ARG A 112 73.824 7.145 13.362 1.00 0.00 H new ATOM 0 HG2 ARG A 112 74.872 7.517 10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 112 73.196 7.861 10.922 1.00 0.00 H new ATOM 0 HD2 ARG A 112 74.791 9.106 12.972 1.00 0.00 H new ATOM 0 HD3 ARG A 112 75.531 9.503 11.434 1.00 0.00 H new ATOM 0 HE ARG A 112 73.629 10.808 10.871 1.00 0.00 H new ATOM 0 HH11 ARG A 112 71.417 8.778 11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 112 70.600 9.418 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 112 73.269 11.559 13.709 1.00 0.00 H new ATOM 0 HH22 ARG A 112 71.649 10.992 14.129 1.00 0.00 H new