USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 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 Single : A 28 CYS SG : rot 24:sc= -0.611 USER MOD Single : A 29 CYS SG : rot 135:sc= 0.29 USER MOD Single : A 34 SER OG : rot 102:sc= 2.17 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -133:sc= -9.2! (180deg=-16.8!) USER MOD Single : A 45 SER OG : rot 18:sc= 0.93 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.63 USER MOD Single : A 50 SER OG : rot -76:sc= 0.0857 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+ 145:sc= -0.114 (180deg=-0.773) USER MOD Single : A 62 MET CE :methyl 150:sc= -1.15 (180deg=-3.75!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -15! C(o=-15!,f=-15!) USER MOD Single : A 66 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -3.4 K(o=-3.4,f=-8.8!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.289 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -3.28 K(o=-3.3,f=-2) USER MOD Single : A 94 ASN : amide:sc= -1.94 K(o=-1.9,f=-0.32) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -169:sc= -2.77 (180deg=-3.55) USER MOD Single : A 100 ASN : amide:sc= -5.96! K(o=-6!,f=-0.29) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -41:sc= 0.76 USER MOD Single : A 104 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.16) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -155:sc= 0.0505 (180deg=-0.309) USER MOD ----------------------------------------------------------------- ATOM 57 N ASP A 27 65.059 -0.056 -14.131 1.00 0.00 N ATOM 58 CA ASP A 27 66.514 0.016 -14.154 1.00 0.00 C ATOM 59 C ASP A 27 67.060 -0.309 -12.750 1.00 0.00 C ATOM 60 O ASP A 27 67.113 0.544 -11.875 1.00 0.00 O ATOM 61 CB ASP A 27 66.927 1.443 -14.564 1.00 0.00 C ATOM 62 CG ASP A 27 66.542 1.795 -16.010 1.00 0.00 C ATOM 63 OD1 ASP A 27 67.342 1.545 -16.909 1.00 0.00 O ATOM 64 OD2 ASP A 27 65.448 2.319 -16.221 1.00 0.00 O ATOM 0 HA ASP A 27 66.920 -0.702 -14.867 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.460 2.158 -13.887 1.00 0.00 H new ATOM 0 HB3 ASP A 27 68.005 1.550 -14.446 1.00 0.00 H new ATOM 69 N CYS A 28 67.468 -1.590 -12.603 1.00 0.00 N ATOM 70 CA CYS A 28 67.996 -2.096 -11.339 1.00 0.00 C ATOM 71 C CYS A 28 69.388 -2.716 -11.568 1.00 0.00 C ATOM 72 O CYS A 28 69.757 -3.064 -12.681 1.00 0.00 O ATOM 73 CB CYS A 28 67.033 -3.164 -10.826 1.00 0.00 C ATOM 74 SG CYS A 28 66.814 -4.468 -12.060 1.00 0.00 S ATOM 0 H CYS A 28 67.437 -2.283 -13.351 1.00 0.00 H new ATOM 0 HA CYS A 28 68.091 -1.288 -10.614 1.00 0.00 H new ATOM 0 HB2 CYS A 28 67.416 -3.593 -9.900 1.00 0.00 H new ATOM 0 HB3 CYS A 28 66.069 -2.711 -10.593 1.00 0.00 H new ATOM 0 HG CYS A 28 67.850 -4.501 -12.845 1.00 0.00 H new ATOM 80 N CYS A 29 70.124 -2.823 -10.439 1.00 0.00 N ATOM 81 CA CYS A 29 71.496 -3.313 -10.442 1.00 0.00 C ATOM 82 C CYS A 29 71.777 -4.032 -9.127 1.00 0.00 C ATOM 83 O CYS A 29 71.125 -3.789 -8.129 1.00 0.00 O ATOM 84 CB CYS A 29 72.445 -2.124 -10.600 1.00 0.00 C ATOM 85 SG CYS A 29 72.758 -1.840 -12.352 1.00 0.00 S ATOM 0 H CYS A 29 69.776 -2.571 -9.514 1.00 0.00 H new ATOM 0 HA CYS A 29 71.645 -4.009 -11.267 1.00 0.00 H new ATOM 0 HB2 CYS A 29 72.009 -1.233 -10.148 1.00 0.00 H new ATOM 0 HB3 CYS A 29 73.382 -2.320 -10.079 1.00 0.00 H new ATOM 0 HG CYS A 29 72.673 -0.568 -12.607 1.00 0.00 H new ATOM 91 N ILE A 30 72.777 -4.936 -9.196 1.00 0.00 N ATOM 92 CA ILE A 30 73.181 -5.714 -8.031 1.00 0.00 C ATOM 93 C ILE A 30 74.435 -5.067 -7.434 1.00 0.00 C ATOM 94 O ILE A 30 75.447 -4.877 -8.095 1.00 0.00 O ATOM 95 CB ILE A 30 73.460 -7.171 -8.447 1.00 0.00 C ATOM 96 CG1 ILE A 30 72.158 -7.872 -8.868 1.00 0.00 C ATOM 97 CG2 ILE A 30 74.134 -7.980 -7.330 1.00 0.00 C ATOM 98 CD1 ILE A 30 72.326 -9.377 -9.088 1.00 0.00 C ATOM 0 H ILE A 30 73.309 -5.136 -10.043 1.00 0.00 H new ATOM 0 HA ILE A 30 72.387 -5.725 -7.284 1.00 0.00 H new ATOM 0 HB ILE A 30 74.147 -7.127 -9.292 1.00 0.00 H new ATOM 0 HG12 ILE A 30 71.400 -7.706 -8.103 1.00 0.00 H new ATOM 0 HG13 ILE A 30 71.789 -7.416 -9.787 1.00 0.00 H new ATOM 0 HG21 ILE A 30 74.309 -8.999 -7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 30 75.086 -7.517 -7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 30 73.487 -7.999 -6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 30 71.370 -9.810 -9.383 1.00 0.00 H new ATOM 0 HD12 ILE A 30 73.061 -9.550 -9.874 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.666 -9.844 -8.164 1.00 0.00 H new ATOM 110 N ILE A 31 74.286 -4.776 -6.132 1.00 0.00 N ATOM 111 CA ILE A 31 75.331 -4.174 -5.332 1.00 0.00 C ATOM 112 C ILE A 31 75.754 -5.160 -4.226 1.00 0.00 C ATOM 113 O ILE A 31 74.979 -5.972 -3.743 1.00 0.00 O ATOM 114 CB ILE A 31 74.751 -2.891 -4.737 1.00 0.00 C ATOM 115 CG1 ILE A 31 73.459 -3.170 -3.975 1.00 0.00 C ATOM 116 CG2 ILE A 31 74.515 -1.816 -5.812 1.00 0.00 C ATOM 117 CD1 ILE A 31 73.357 -2.367 -2.676 1.00 0.00 C ATOM 0 H ILE A 31 73.426 -4.958 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 31 76.216 -3.942 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 31 75.491 -2.505 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 31 72.607 -2.933 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 31 73.399 -4.234 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 31 74.102 -0.921 -5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 31 75.461 -1.571 -6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 31 73.814 -2.194 -6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 31 72.419 -2.604 -2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 31 74.192 -2.623 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 31 73.388 -1.301 -2.904 1.00 0.00 H new ATOM 129 N ARG A 32 77.038 -5.018 -3.869 1.00 0.00 N ATOM 130 CA ARG A 32 77.674 -5.811 -2.836 1.00 0.00 C ATOM 131 C ARG A 32 77.890 -4.877 -1.633 1.00 0.00 C ATOM 132 O ARG A 32 78.462 -3.817 -1.795 1.00 0.00 O ATOM 133 CB ARG A 32 79.008 -6.288 -3.439 1.00 0.00 C ATOM 134 CG ARG A 32 80.033 -6.651 -2.379 1.00 0.00 C ATOM 135 CD ARG A 32 81.417 -7.005 -2.909 1.00 0.00 C ATOM 136 NE ARG A 32 81.495 -8.450 -2.989 1.00 0.00 N ATOM 137 CZ ARG A 32 82.577 -9.004 -3.549 1.00 0.00 C ATOM 138 NH1 ARG A 32 83.776 -8.865 -2.989 1.00 0.00 N ATOM 139 NH2 ARG A 32 82.426 -9.687 -4.677 1.00 0.00 N ATOM 0 H ARG A 32 77.662 -4.337 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 32 77.094 -6.673 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 32 78.826 -7.155 -4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 32 79.414 -5.504 -4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 32 80.129 -5.814 -1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 32 79.654 -7.496 -1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 32 81.578 -6.557 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 32 82.192 -6.615 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 32 80.741 -9.033 -2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 32 83.877 -8.332 -2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 32 84.594 -9.291 -3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 32 81.501 -9.780 -5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 32 83.235 -10.119 -5.124 1.00 0.00 H new ATOM 153 N VAL A 33 77.429 -5.321 -0.440 1.00 0.00 N ATOM 154 CA VAL A 33 77.528 -4.536 0.791 1.00 0.00 C ATOM 155 C VAL A 33 78.044 -5.396 1.971 1.00 0.00 C ATOM 156 O VAL A 33 77.424 -6.375 2.355 1.00 0.00 O ATOM 157 CB VAL A 33 76.165 -3.887 1.126 1.00 0.00 C ATOM 158 CG1 VAL A 33 76.338 -2.525 1.814 1.00 0.00 C ATOM 159 CG2 VAL A 33 75.281 -3.737 -0.111 1.00 0.00 C ATOM 0 H VAL A 33 76.982 -6.229 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 33 78.256 -3.741 0.629 1.00 0.00 H new ATOM 0 HB VAL A 33 75.667 -4.565 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 33 75.358 -2.101 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 33 76.893 -2.655 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 33 76.886 -1.851 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 33 74.334 -3.277 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 33 75.785 -3.108 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 33 75.092 -4.719 -0.544 1.00 0.00 H new ATOM 169 N SER A 34 79.199 -4.948 2.525 1.00 0.00 N ATOM 170 CA SER A 34 79.797 -5.529 3.731 1.00 0.00 C ATOM 171 C SER A 34 79.431 -4.637 4.913 1.00 0.00 C ATOM 172 O SER A 34 78.979 -3.522 4.730 1.00 0.00 O ATOM 173 CB SER A 34 81.334 -5.550 3.604 1.00 0.00 C ATOM 174 OG SER A 34 81.830 -6.758 3.078 1.00 0.00 O ATOM 0 H SER A 34 79.735 -4.171 2.139 1.00 0.00 H new ATOM 0 HA SER A 34 79.430 -6.546 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 34 81.651 -4.726 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 34 81.776 -5.380 4.586 1.00 0.00 H new ATOM 0 HG SER A 34 82.055 -6.635 2.132 1.00 0.00 H new ATOM 180 N LEU A 35 79.658 -5.191 6.123 1.00 0.00 N ATOM 181 CA LEU A 35 79.345 -4.479 7.358 1.00 0.00 C ATOM 182 C LEU A 35 80.642 -4.043 8.032 1.00 0.00 C ATOM 183 O LEU A 35 81.655 -4.724 7.959 1.00 0.00 O ATOM 184 CB LEU A 35 78.610 -5.419 8.308 1.00 0.00 C ATOM 185 CG LEU A 35 77.371 -6.046 7.677 1.00 0.00 C ATOM 186 CD1 LEU A 35 76.985 -7.314 8.453 1.00 0.00 C ATOM 187 CD2 LEU A 35 76.250 -5.001 7.551 1.00 0.00 C ATOM 0 H LEU A 35 80.054 -6.121 6.260 1.00 0.00 H new ATOM 0 HA LEU A 35 78.727 -3.611 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 35 79.289 -6.209 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 35 78.318 -4.869 9.203 1.00 0.00 H new ATOM 0 HG LEU A 35 77.576 -6.369 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 35 76.100 -7.761 8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 35 77.809 -8.027 8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 35 76.772 -7.055 9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 35 75.372 -5.462 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 35 75.993 -4.622 8.540 1.00 0.00 H new ATOM 0 HD23 LEU A 35 76.590 -4.177 6.924 1.00 0.00 H new ATOM 199 N ASP A 36 80.536 -2.877 8.699 1.00 0.00 N ATOM 200 CA ASP A 36 81.694 -2.273 9.342 1.00 0.00 C ATOM 201 C ASP A 36 81.629 -2.456 10.861 1.00 0.00 C ATOM 202 O ASP A 36 81.711 -1.525 11.653 1.00 0.00 O ATOM 203 CB ASP A 36 81.685 -0.797 8.997 1.00 0.00 C ATOM 204 CG ASP A 36 83.120 -0.235 9.011 1.00 0.00 C ATOM 205 OD1 ASP A 36 83.679 -0.059 10.091 1.00 0.00 O ATOM 206 OD2 ASP A 36 83.662 0.013 7.934 1.00 0.00 O ATOM 0 H ASP A 36 79.669 -2.350 8.800 1.00 0.00 H new ATOM 0 HA ASP A 36 82.610 -2.750 8.992 1.00 0.00 H new ATOM 0 HB2 ASP A 36 81.239 -0.649 8.013 1.00 0.00 H new ATOM 0 HB3 ASP A 36 81.067 -0.253 9.712 1.00 0.00 H new ATOM 291 N TYR A 43 80.290 -10.273 3.224 1.00 0.00 N ATOM 292 CA TYR A 43 79.808 -9.564 2.043 1.00 0.00 C ATOM 293 C TYR A 43 78.465 -10.158 1.579 1.00 0.00 C ATOM 294 O TYR A 43 78.387 -11.282 1.104 1.00 0.00 O ATOM 295 CB TYR A 43 80.854 -9.686 0.915 1.00 0.00 C ATOM 296 CG TYR A 43 81.663 -8.429 0.748 1.00 0.00 C ATOM 297 CD1 TYR A 43 81.030 -7.236 0.421 1.00 0.00 C ATOM 298 CD2 TYR A 43 83.044 -8.428 0.922 1.00 0.00 C ATOM 299 CE1 TYR A 43 81.757 -6.063 0.254 1.00 0.00 C ATOM 300 CE2 TYR A 43 83.775 -7.258 0.752 1.00 0.00 C ATOM 301 CZ TYR A 43 83.134 -6.075 0.413 1.00 0.00 C ATOM 302 OH TYR A 43 83.865 -4.918 0.239 1.00 0.00 O ATOM 0 HA TYR A 43 79.658 -8.513 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 43 81.522 -10.520 1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 43 80.349 -9.917 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 43 79.958 -7.220 0.295 1.00 0.00 H new ATOM 0 HD2 TYR A 43 83.551 -9.343 1.191 1.00 0.00 H new ATOM 0 HE1 TYR A 43 81.250 -5.144 0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 43 84.847 -7.270 0.884 1.00 0.00 H new ATOM 0 HH TYR A 43 84.815 -5.105 0.390 1.00 0.00 H new ATOM 312 N LYS A 44 77.429 -9.316 1.749 1.00 0.00 N ATOM 313 CA LYS A 44 76.057 -9.657 1.377 1.00 0.00 C ATOM 314 C LYS A 44 75.710 -8.832 0.135 1.00 0.00 C ATOM 315 O LYS A 44 76.295 -7.794 -0.078 1.00 0.00 O ATOM 316 CB LYS A 44 75.188 -9.337 2.599 1.00 0.00 C ATOM 317 CG LYS A 44 73.818 -8.722 2.327 1.00 0.00 C ATOM 318 CD LYS A 44 73.903 -7.195 2.329 1.00 0.00 C ATOM 319 CE LYS A 44 72.859 -6.599 1.431 1.00 0.00 C ATOM 320 NZ LYS A 44 72.889 -5.150 1.479 1.00 0.00 N ATOM 0 H LYS A 44 77.527 -8.383 2.148 1.00 0.00 H new ATOM 0 HA LYS A 44 75.902 -10.705 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 44 75.041 -10.259 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 44 75.745 -8.656 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 44 73.442 -9.069 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 44 73.108 -9.053 3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 44 73.772 -6.821 3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 44 74.894 -6.882 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 44 73.022 -6.935 0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 44 71.873 -6.955 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 71.921 -4.786 1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 73.473 -4.841 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 73.295 -4.782 0.595 1.00 0.00 H new ATOM 334 N SER A 45 74.748 -9.346 -0.668 1.00 0.00 N ATOM 335 CA SER A 45 74.362 -8.660 -1.901 1.00 0.00 C ATOM 336 C SER A 45 72.834 -8.472 -1.966 1.00 0.00 C ATOM 337 O SER A 45 72.075 -9.285 -1.457 1.00 0.00 O ATOM 338 CB SER A 45 74.810 -9.520 -3.087 1.00 0.00 C ATOM 339 OG SER A 45 74.885 -8.770 -4.279 1.00 0.00 O ATOM 0 H SER A 45 74.242 -10.212 -0.482 1.00 0.00 H new ATOM 0 HA SER A 45 74.833 -7.677 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 45 75.785 -9.958 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 45 74.112 -10.346 -3.221 1.00 0.00 H new ATOM 0 HG SER A 45 74.914 -7.815 -4.063 1.00 0.00 H new ATOM 345 N ILE A 46 72.449 -7.354 -2.628 1.00 0.00 N ATOM 346 CA ILE A 46 71.050 -6.947 -2.777 1.00 0.00 C ATOM 347 C ILE A 46 70.908 -6.198 -4.111 1.00 0.00 C ATOM 348 O ILE A 46 71.891 -5.770 -4.698 1.00 0.00 O ATOM 349 CB ILE A 46 70.635 -6.028 -1.606 1.00 0.00 C ATOM 350 CG1 ILE A 46 71.701 -4.950 -1.353 1.00 0.00 C ATOM 351 CG2 ILE A 46 70.323 -6.846 -0.346 1.00 0.00 C ATOM 352 CD1 ILE A 46 71.191 -3.753 -0.549 1.00 0.00 C ATOM 0 H ILE A 46 73.109 -6.715 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 46 70.402 -7.824 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 46 69.716 -5.511 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 46 72.541 -5.400 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 46 72.081 -4.596 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.034 -6.174 0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 46 69.506 -7.536 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 46 71.208 -7.410 -0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 46 72.000 -3.036 -0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.371 -3.276 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 46 70.838 -4.093 0.425 1.00 0.00 H new ATOM 364 N LEU A 47 69.637 -6.061 -4.550 1.00 0.00 N ATOM 365 CA LEU A 47 69.347 -5.350 -5.790 1.00 0.00 C ATOM 366 C LEU A 47 68.784 -3.951 -5.466 1.00 0.00 C ATOM 367 O LEU A 47 67.806 -3.807 -4.745 1.00 0.00 O ATOM 368 CB LEU A 47 68.319 -6.158 -6.586 1.00 0.00 C ATOM 369 CG LEU A 47 68.181 -5.708 -8.054 1.00 0.00 C ATOM 370 CD1 LEU A 47 69.245 -6.374 -8.930 1.00 0.00 C ATOM 371 CD2 LEU A 47 66.775 -6.002 -8.599 1.00 0.00 C ATOM 0 H LEU A 47 68.818 -6.430 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 47 70.258 -5.232 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 47 68.600 -7.211 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 47 67.348 -6.076 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 47 68.334 -4.629 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 47 69.128 -6.041 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 47 70.237 -6.099 -8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 47 69.130 -7.457 -8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 47 66.711 -5.673 -9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 47 66.581 -7.073 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 47 66.035 -5.469 -8.002 1.00 0.00 H new ATOM 383 N VAL A 48 69.461 -2.952 -6.061 1.00 0.00 N ATOM 384 CA VAL A 48 69.111 -1.544 -5.967 1.00 0.00 C ATOM 385 C VAL A 48 68.363 -1.102 -7.224 1.00 0.00 C ATOM 386 O VAL A 48 68.656 -1.532 -8.323 1.00 0.00 O ATOM 387 CB VAL A 48 70.436 -0.780 -5.769 1.00 0.00 C ATOM 388 CG1 VAL A 48 70.491 0.632 -6.383 1.00 0.00 C ATOM 389 CG2 VAL A 48 70.785 -0.803 -4.279 1.00 0.00 C ATOM 0 H VAL A 48 70.288 -3.119 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 48 68.440 -1.342 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 48 71.201 -1.302 -6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 48 71.466 1.077 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 48 70.334 0.567 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 48 69.712 1.252 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 48 71.720 -0.267 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 48 69.988 -0.323 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 48 70.896 -1.835 -3.947 1.00 0.00 H new ATOM 399 N THR A 49 67.391 -0.200 -6.976 1.00 0.00 N ATOM 400 CA THR A 49 66.593 0.385 -8.048 1.00 0.00 C ATOM 401 C THR A 49 67.125 1.802 -8.339 1.00 0.00 C ATOM 402 O THR A 49 67.876 2.354 -7.566 1.00 0.00 O ATOM 403 CB THR A 49 65.121 0.326 -7.608 1.00 0.00 C ATOM 404 OG1 THR A 49 64.943 1.103 -6.439 1.00 0.00 O ATOM 405 CG2 THR A 49 64.715 -1.144 -7.372 1.00 0.00 C ATOM 0 H THR A 49 67.148 0.132 -6.042 1.00 0.00 H new ATOM 0 HA THR A 49 66.667 -0.158 -8.990 1.00 0.00 H new ATOM 0 HB THR A 49 64.481 0.737 -8.388 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.004 1.066 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 49 63.672 -1.188 -7.060 1.00 0.00 H new ATOM 0 HG22 THR A 49 64.842 -1.709 -8.295 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.345 -1.575 -6.594 1.00 0.00 H new ATOM 413 N SER A 50 66.714 2.357 -9.498 1.00 0.00 N ATOM 414 CA SER A 50 67.066 3.737 -9.859 1.00 0.00 C ATOM 415 C SER A 50 66.251 4.782 -9.065 1.00 0.00 C ATOM 416 O SER A 50 65.633 5.652 -9.662 1.00 0.00 O ATOM 417 CB SER A 50 66.798 3.928 -11.372 1.00 0.00 C ATOM 418 OG SER A 50 65.789 3.062 -11.851 1.00 0.00 O ATOM 0 H SER A 50 66.144 1.872 -10.191 1.00 0.00 H new ATOM 0 HA SER A 50 68.117 3.893 -9.616 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.506 4.961 -11.559 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.719 3.751 -11.927 1.00 0.00 H new ATOM 0 HG SER A 50 66.153 2.157 -11.948 1.00 0.00 H new ATOM 424 N GLN A 51 66.266 4.665 -7.713 1.00 0.00 N ATOM 425 CA GLN A 51 65.403 5.509 -6.895 1.00 0.00 C ATOM 426 C GLN A 51 65.476 5.164 -5.419 1.00 0.00 C ATOM 427 O GLN A 51 65.293 6.036 -4.577 1.00 0.00 O ATOM 428 CB GLN A 51 63.936 5.442 -7.353 1.00 0.00 C ATOM 429 CG GLN A 51 63.564 6.665 -8.209 1.00 0.00 C ATOM 430 CD GLN A 51 62.458 7.479 -7.547 1.00 0.00 C ATOM 431 OE1 GLN A 51 62.700 8.471 -6.871 1.00 0.00 O ATOM 432 NE2 GLN A 51 61.237 6.974 -7.783 1.00 0.00 N ATOM 0 H GLN A 51 66.852 4.012 -7.193 1.00 0.00 H new ATOM 0 HA GLN A 51 65.778 6.524 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 51 63.773 4.530 -7.927 1.00 0.00 H new ATOM 0 HB3 GLN A 51 63.282 5.392 -6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 51 64.444 7.292 -8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 51 63.238 6.337 -9.196 1.00 0.00 H new ATOM 0 HE21 GLN A 51 61.133 6.140 -8.361 1.00 0.00 H new ATOM 0 HE22 GLN A 51 60.413 7.424 -7.384 1.00 0.00 H new ATOM 441 N ASP A 52 65.750 3.867 -5.159 1.00 0.00 N ATOM 442 CA ASP A 52 65.988 3.388 -3.803 1.00 0.00 C ATOM 443 C ASP A 52 66.875 4.389 -3.046 1.00 0.00 C ATOM 444 O ASP A 52 68.012 4.667 -3.399 1.00 0.00 O ATOM 445 CB ASP A 52 66.662 2.010 -3.852 1.00 0.00 C ATOM 446 CG ASP A 52 68.070 2.050 -4.449 1.00 0.00 C ATOM 447 OD1 ASP A 52 68.407 2.958 -5.207 1.00 0.00 O ATOM 448 OD2 ASP A 52 68.831 1.163 -4.127 1.00 0.00 O ATOM 0 H ASP A 52 65.809 3.144 -5.876 1.00 0.00 H new ATOM 0 HA ASP A 52 65.037 3.296 -3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 52 66.714 1.602 -2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 52 66.044 1.331 -4.440 1.00 0.00 H new ATOM 453 N LYS A 53 66.276 4.969 -2.016 1.00 0.00 N ATOM 454 CA LYS A 53 67.051 5.967 -1.314 1.00 0.00 C ATOM 455 C LYS A 53 68.136 5.226 -0.526 1.00 0.00 C ATOM 456 O LYS A 53 68.078 4.017 -0.357 1.00 0.00 O ATOM 457 CB LYS A 53 66.080 6.783 -0.468 1.00 0.00 C ATOM 458 CG LYS A 53 64.793 7.077 -1.241 1.00 0.00 C ATOM 459 CD LYS A 53 64.007 8.229 -0.640 1.00 0.00 C ATOM 460 CE LYS A 53 62.950 7.820 0.370 1.00 0.00 C ATOM 461 NZ LYS A 53 61.807 8.704 0.214 1.00 0.00 N ATOM 0 H LYS A 53 65.334 4.785 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 53 67.567 6.676 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 53 65.843 6.239 0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 53 66.551 7.719 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 53 65.040 7.310 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 53 64.169 6.183 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 53 64.705 8.914 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 53 63.524 8.781 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 53 62.653 6.783 0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 53 63.346 7.886 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 61.069 8.441 0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 62.102 9.687 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 61.431 8.618 -0.752 1.00 0.00 H new ATOM 475 N ALA A 54 69.123 6.009 -0.067 1.00 0.00 N ATOM 476 CA ALA A 54 70.089 5.482 0.891 1.00 0.00 C ATOM 477 C ALA A 54 69.441 4.670 2.041 1.00 0.00 C ATOM 478 O ALA A 54 69.826 3.535 2.256 1.00 0.00 O ATOM 479 CB ALA A 54 70.915 6.630 1.438 1.00 0.00 C ATOM 0 H ALA A 54 69.267 6.982 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 54 70.726 4.775 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 54 71.641 6.247 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 54 71.440 7.123 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 54 70.259 7.347 1.933 1.00 0.00 H new ATOM 485 N PRO A 55 68.424 5.258 2.758 1.00 0.00 N ATOM 486 CA PRO A 55 67.753 4.562 3.857 1.00 0.00 C ATOM 487 C PRO A 55 66.918 3.336 3.428 1.00 0.00 C ATOM 488 O PRO A 55 66.467 2.563 4.264 1.00 0.00 O ATOM 489 CB PRO A 55 66.876 5.649 4.507 1.00 0.00 C ATOM 490 CG PRO A 55 66.676 6.725 3.443 1.00 0.00 C ATOM 491 CD PRO A 55 67.901 6.602 2.551 1.00 0.00 C ATOM 0 HA PRO A 55 68.485 4.127 4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 55 65.920 5.237 4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 55 67.360 6.062 5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 55 65.756 6.563 2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 55 66.606 7.717 3.889 1.00 0.00 H new ATOM 0 HD2 PRO A 55 67.638 6.760 1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 55 68.647 7.354 2.809 1.00 0.00 H new ATOM 499 N ALA A 56 66.777 3.191 2.089 1.00 0.00 N ATOM 500 CA ALA A 56 66.044 2.079 1.489 1.00 0.00 C ATOM 501 C ALA A 56 66.948 0.852 1.317 1.00 0.00 C ATOM 502 O ALA A 56 66.646 -0.241 1.774 1.00 0.00 O ATOM 503 CB ALA A 56 65.482 2.503 0.126 1.00 0.00 C ATOM 0 H ALA A 56 67.169 3.842 1.409 1.00 0.00 H new ATOM 0 HA ALA A 56 65.225 1.810 2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 56 64.936 1.670 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 56 64.808 3.350 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 56 66.302 2.791 -0.532 1.00 0.00 H new ATOM 509 N VAL A 57 68.090 1.114 0.645 1.00 0.00 N ATOM 510 CA VAL A 57 69.165 0.134 0.515 1.00 0.00 C ATOM 511 C VAL A 57 69.616 -0.409 1.867 1.00 0.00 C ATOM 512 O VAL A 57 70.073 -1.537 1.978 1.00 0.00 O ATOM 513 CB VAL A 57 70.349 0.817 -0.187 1.00 0.00 C ATOM 514 CG1 VAL A 57 71.669 0.035 -0.115 1.00 0.00 C ATOM 515 CG2 VAL A 57 69.972 1.039 -1.635 1.00 0.00 C ATOM 0 H VAL A 57 68.282 2.004 0.185 1.00 0.00 H new ATOM 0 HA VAL A 57 68.797 -0.713 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 57 70.535 1.753 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 57 72.449 0.590 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 57 71.955 -0.101 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 57 71.541 -0.939 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 57 70.798 1.524 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 57 69.759 0.080 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 57 69.088 1.674 -1.687 1.00 0.00 H new ATOM 525 N ILE A 58 69.467 0.475 2.866 1.00 0.00 N ATOM 526 CA ILE A 58 69.859 0.141 4.214 1.00 0.00 C ATOM 527 C ILE A 58 68.807 -0.755 4.868 1.00 0.00 C ATOM 528 O ILE A 58 69.133 -1.602 5.676 1.00 0.00 O ATOM 529 CB ILE A 58 70.082 1.437 4.991 1.00 0.00 C ATOM 530 CG1 ILE A 58 71.298 2.178 4.426 1.00 0.00 C ATOM 531 CG2 ILE A 58 70.305 1.138 6.471 1.00 0.00 C ATOM 532 CD1 ILE A 58 71.407 3.619 4.920 1.00 0.00 C ATOM 0 H ILE A 58 69.081 1.412 2.753 1.00 0.00 H new ATOM 0 HA ILE A 58 70.791 -0.424 4.211 1.00 0.00 H new ATOM 0 HB ILE A 58 69.196 2.063 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 58 72.204 1.637 4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 58 71.242 2.177 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 58 70.462 2.072 7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 58 69.430 0.628 6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 58 71.182 0.500 6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.289 4.088 4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 58 70.517 4.174 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 58 71.493 3.626 6.007 1.00 0.00 H new ATOM 544 N ARG A 59 67.540 -0.544 4.477 1.00 0.00 N ATOM 545 CA ARG A 59 66.488 -1.390 5.017 1.00 0.00 C ATOM 546 C ARG A 59 66.675 -2.850 4.578 1.00 0.00 C ATOM 547 O ARG A 59 66.468 -3.788 5.341 1.00 0.00 O ATOM 548 CB ARG A 59 65.152 -0.867 4.505 1.00 0.00 C ATOM 549 CG ARG A 59 63.965 -1.651 5.061 1.00 0.00 C ATOM 550 CD ARG A 59 62.736 -1.452 4.191 1.00 0.00 C ATOM 551 NE ARG A 59 61.565 -1.312 5.035 1.00 0.00 N ATOM 552 CZ ARG A 59 60.419 -1.942 4.731 1.00 0.00 C ATOM 553 NH1 ARG A 59 60.415 -3.220 4.358 1.00 0.00 N ATOM 554 NH2 ARG A 59 59.286 -1.256 4.799 1.00 0.00 N ATOM 0 H ARG A 59 67.237 0.174 3.819 1.00 0.00 H new ATOM 0 HA ARG A 59 66.523 -1.362 6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 59 65.049 0.184 4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.139 -0.918 3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.214 -2.711 5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 59 63.753 -1.325 6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 59 62.857 -0.565 3.569 1.00 0.00 H new ATOM 0 HD3 ARG A 59 62.613 -2.300 3.517 1.00 0.00 H new ATOM 0 HE ARG A 59 61.613 -0.728 5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 59 61.292 -3.737 4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 59 59.535 -3.682 4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 59 59.300 -0.275 5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 59 58.401 -1.710 4.573 1.00 0.00 H new ATOM 568 N LYS A 60 67.081 -2.964 3.300 1.00 0.00 N ATOM 569 CA LYS A 60 67.288 -4.264 2.704 1.00 0.00 C ATOM 570 C LYS A 60 68.518 -4.930 3.315 1.00 0.00 C ATOM 571 O LYS A 60 68.447 -6.033 3.828 1.00 0.00 O ATOM 572 CB LYS A 60 67.446 -4.084 1.195 1.00 0.00 C ATOM 573 CG LYS A 60 67.050 -5.354 0.439 1.00 0.00 C ATOM 574 CD LYS A 60 65.731 -5.186 -0.332 1.00 0.00 C ATOM 575 CE LYS A 60 65.981 -5.208 -1.836 1.00 0.00 C ATOM 576 NZ LYS A 60 66.540 -6.499 -2.215 1.00 0.00 N ATOM 0 H LYS A 60 67.266 -2.175 2.681 1.00 0.00 H new ATOM 0 HA LYS A 60 66.434 -4.912 2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 60 66.828 -3.251 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 60 68.480 -3.828 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 60 67.844 -5.622 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 60 66.953 -6.179 1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 60 65.041 -5.985 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 60 65.256 -4.246 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 60 65.049 -5.031 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 60 66.666 -4.407 -2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 66.185 -6.768 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 67.578 -6.434 -2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 66.257 -7.218 -1.519 1.00 0.00 H new ATOM 590 N ALA A 61 69.621 -4.155 3.242 1.00 0.00 N ATOM 591 CA ALA A 61 70.935 -4.549 3.727 1.00 0.00 C ATOM 592 C ALA A 61 70.926 -5.005 5.187 1.00 0.00 C ATOM 593 O ALA A 61 71.633 -5.929 5.563 1.00 0.00 O ATOM 594 CB ALA A 61 71.898 -3.366 3.545 1.00 0.00 C ATOM 0 H ALA A 61 69.609 -3.221 2.833 1.00 0.00 H new ATOM 0 HA ALA A 61 71.262 -5.410 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 61 72.889 -3.645 3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 61 71.956 -3.103 2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 61 71.534 -2.510 4.113 1.00 0.00 H new ATOM 600 N MET A 62 70.079 -4.306 5.966 1.00 0.00 N ATOM 601 CA MET A 62 69.964 -4.559 7.392 1.00 0.00 C ATOM 602 C MET A 62 69.169 -5.826 7.694 1.00 0.00 C ATOM 603 O MET A 62 69.647 -6.704 8.397 1.00 0.00 O ATOM 604 CB MET A 62 69.301 -3.357 8.056 1.00 0.00 C ATOM 605 CG MET A 62 70.320 -2.228 8.259 1.00 0.00 C ATOM 606 SD MET A 62 69.675 -0.989 9.380 1.00 0.00 S ATOM 607 CE MET A 62 69.642 -2.010 10.858 1.00 0.00 C ATOM 0 H MET A 62 69.470 -3.565 5.620 1.00 0.00 H new ATOM 0 HA MET A 62 70.967 -4.710 7.790 1.00 0.00 H new ATOM 0 HB2 MET A 62 68.475 -3.003 7.440 1.00 0.00 H new ATOM 0 HB3 MET A 62 68.879 -3.651 9.017 1.00 0.00 H new ATOM 0 HG2 MET A 62 71.249 -2.637 8.656 1.00 0.00 H new ATOM 0 HG3 MET A 62 70.558 -1.769 7.299 1.00 0.00 H new ATOM 0 HE1 MET A 62 69.793 -1.383 11.737 1.00 0.00 H new ATOM 0 HE2 MET A 62 68.677 -2.512 10.932 1.00 0.00 H new ATOM 0 HE3 MET A 62 70.435 -2.755 10.803 1.00 0.00 H new ATOM 617 N ASP A 63 67.943 -5.871 7.126 1.00 0.00 N ATOM 618 CA ASP A 63 67.073 -7.043 7.243 1.00 0.00 C ATOM 619 C ASP A 63 67.817 -8.345 6.861 1.00 0.00 C ATOM 620 O ASP A 63 67.598 -9.409 7.425 1.00 0.00 O ATOM 621 CB ASP A 63 65.842 -6.814 6.341 1.00 0.00 C ATOM 622 CG ASP A 63 64.680 -7.808 6.577 1.00 0.00 C ATOM 623 OD1 ASP A 63 64.925 -8.980 6.858 1.00 0.00 O ATOM 624 OD2 ASP A 63 63.526 -7.392 6.472 1.00 0.00 O ATOM 0 H ASP A 63 67.542 -5.105 6.584 1.00 0.00 H new ATOM 0 HA ASP A 63 66.758 -7.165 8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 63 65.474 -5.800 6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 63 66.154 -6.880 5.299 1.00 0.00 H new ATOM 629 N LYS A 64 68.722 -8.167 5.879 1.00 0.00 N ATOM 630 CA LYS A 64 69.518 -9.262 5.356 1.00 0.00 C ATOM 631 C LYS A 64 70.632 -9.668 6.332 1.00 0.00 C ATOM 632 O LYS A 64 70.955 -10.839 6.486 1.00 0.00 O ATOM 633 CB LYS A 64 70.090 -8.817 3.998 1.00 0.00 C ATOM 634 CG LYS A 64 69.604 -9.692 2.841 1.00 0.00 C ATOM 635 CD LYS A 64 70.704 -10.626 2.355 1.00 0.00 C ATOM 636 CE LYS A 64 71.232 -11.531 3.470 1.00 0.00 C ATOM 637 NZ LYS A 64 72.005 -12.626 2.915 1.00 0.00 N ATOM 0 H LYS A 64 68.910 -7.266 5.439 1.00 0.00 H new ATOM 0 HA LYS A 64 68.895 -10.147 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 64 69.806 -7.782 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 64 71.179 -8.847 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 64 68.742 -10.277 3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 64 69.271 -9.059 2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 64 70.321 -11.242 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 64 71.526 -10.036 1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 64 71.852 -10.951 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 64 70.399 -11.925 4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 72.355 -13.230 3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 71.403 -13.189 2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 72.811 -12.245 2.380 1.00 0.00 H new ATOM 651 N HIS A 65 71.190 -8.623 6.969 1.00 0.00 N ATOM 652 CA HIS A 65 72.318 -8.798 7.868 1.00 0.00 C ATOM 653 C HIS A 65 71.916 -9.059 9.318 1.00 0.00 C ATOM 654 O HIS A 65 72.782 -9.231 10.166 1.00 0.00 O ATOM 655 CB HIS A 65 73.175 -7.534 7.806 1.00 0.00 C ATOM 656 CG HIS A 65 74.227 -7.686 6.740 1.00 0.00 C ATOM 657 ND1 HIS A 65 74.601 -6.690 5.922 1.00 0.00 N ATOM 658 CD2 HIS A 65 75.054 -8.801 6.494 1.00 0.00 C ATOM 659 CE1 HIS A 65 75.627 -7.170 5.208 1.00 0.00 C ATOM 660 NE2 HIS A 65 75.923 -8.443 5.531 1.00 0.00 N ATOM 0 H HIS A 65 70.872 -7.659 6.871 1.00 0.00 H new ATOM 0 HA HIS A 65 72.863 -9.682 7.538 1.00 0.00 H new ATOM 0 HB2 HIS A 65 72.548 -6.668 7.591 1.00 0.00 H new ATOM 0 HB3 HIS A 65 73.646 -7.355 8.772 1.00 0.00 H new ATOM 0 HD1 HIS A 65 74.189 -5.759 5.857 1.00 0.00 H new ATOM 0 HD2 HIS A 65 75.000 -9.761 6.986 1.00 0.00 H new ATOM 0 HE1 HIS A 65 76.157 -6.601 4.458 1.00 0.00 H new ATOM 668 N ASN A 66 70.588 -9.096 9.566 1.00 0.00 N ATOM 669 CA ASN A 66 70.101 -9.462 10.893 1.00 0.00 C ATOM 670 C ASN A 66 70.507 -8.414 11.956 1.00 0.00 C ATOM 671 O ASN A 66 70.781 -8.750 13.103 1.00 0.00 O ATOM 672 CB ASN A 66 70.607 -10.871 11.282 1.00 0.00 C ATOM 673 CG ASN A 66 70.493 -11.856 10.104 1.00 0.00 C ATOM 674 OD1 ASN A 66 71.488 -12.311 9.552 1.00 0.00 O ATOM 675 ND2 ASN A 66 69.227 -12.126 9.743 1.00 0.00 N ATOM 0 H ASN A 66 69.862 -8.882 8.882 1.00 0.00 H new ATOM 0 HA ASN A 66 69.012 -9.482 10.858 1.00 0.00 H new ATOM 0 HB2 ASN A 66 71.646 -10.809 11.607 1.00 0.00 H new ATOM 0 HB3 ASN A 66 70.030 -11.245 12.128 1.00 0.00 H new ATOM 0 HD21 ASN A 66 69.043 -12.750 8.958 1.00 0.00 H new ATOM 0 HD22 ASN A 66 68.450 -11.707 10.254 1.00 0.00 H new ATOM 682 N LEU A 67 70.551 -7.141 11.494 1.00 0.00 N ATOM 683 CA LEU A 67 71.012 -6.027 12.325 1.00 0.00 C ATOM 684 C LEU A 67 69.841 -5.157 12.794 1.00 0.00 C ATOM 685 O LEU A 67 69.942 -3.943 12.910 1.00 0.00 O ATOM 686 CB LEU A 67 72.011 -5.182 11.522 1.00 0.00 C ATOM 687 CG LEU A 67 73.406 -5.814 11.472 1.00 0.00 C ATOM 688 CD1 LEU A 67 74.318 -5.008 10.542 1.00 0.00 C ATOM 689 CD2 LEU A 67 74.015 -5.927 12.884 1.00 0.00 C ATOM 0 H LEU A 67 70.271 -6.871 10.551 1.00 0.00 H new ATOM 0 HA LEU A 67 71.497 -6.432 13.213 1.00 0.00 H new ATOM 0 HB2 LEU A 67 71.638 -5.052 10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 67 72.081 -4.189 11.966 1.00 0.00 H new ATOM 0 HG LEU A 67 73.313 -6.824 11.074 1.00 0.00 H new ATOM 0 HD11 LEU A 67 75.306 -5.467 10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 67 73.895 -4.997 9.537 1.00 0.00 H new ATOM 0 HD13 LEU A 67 74.402 -3.986 10.911 1.00 0.00 H new ATOM 0 HD21 LEU A 67 75.005 -6.379 12.818 1.00 0.00 H new ATOM 0 HD22 LEU A 67 74.098 -4.934 13.325 1.00 0.00 H new ATOM 0 HD23 LEU A 67 73.373 -6.549 13.508 1.00 0.00 H new ATOM 701 N GLU A 68 68.735 -5.862 13.093 1.00 0.00 N ATOM 702 CA GLU A 68 67.510 -5.227 13.561 1.00 0.00 C ATOM 703 C GLU A 68 67.668 -4.434 14.862 1.00 0.00 C ATOM 704 O GLU A 68 66.820 -3.612 15.189 1.00 0.00 O ATOM 705 CB GLU A 68 66.487 -6.333 13.801 1.00 0.00 C ATOM 706 CG GLU A 68 65.924 -6.862 12.479 1.00 0.00 C ATOM 707 CD GLU A 68 64.767 -5.963 12.011 1.00 0.00 C ATOM 708 OE1 GLU A 68 63.689 -6.044 12.600 1.00 0.00 O ATOM 709 OE2 GLU A 68 64.954 -5.189 11.072 1.00 0.00 O ATOM 0 H GLU A 68 68.674 -6.877 13.015 1.00 0.00 H new ATOM 0 HA GLU A 68 67.206 -4.511 12.798 1.00 0.00 H new ATOM 0 HB2 GLU A 68 66.953 -7.149 14.354 1.00 0.00 H new ATOM 0 HB3 GLU A 68 65.674 -5.952 14.419 1.00 0.00 H new ATOM 0 HG2 GLU A 68 66.708 -6.885 11.722 1.00 0.00 H new ATOM 0 HG3 GLU A 68 65.573 -7.886 12.606 1.00 0.00 H new ATOM 716 N GLU A 69 68.795 -4.712 15.560 1.00 0.00 N ATOM 717 CA GLU A 69 69.206 -4.007 16.770 1.00 0.00 C ATOM 718 C GLU A 69 68.965 -2.479 16.710 1.00 0.00 C ATOM 719 O GLU A 69 68.698 -1.835 17.712 1.00 0.00 O ATOM 720 CB GLU A 69 70.695 -4.309 17.020 1.00 0.00 C ATOM 721 CG GLU A 69 71.641 -3.748 15.933 1.00 0.00 C ATOM 722 CD GLU A 69 73.134 -3.883 16.278 1.00 0.00 C ATOM 723 OE1 GLU A 69 73.486 -4.706 17.123 1.00 0.00 O ATOM 724 OE2 GLU A 69 73.933 -3.151 15.693 1.00 0.00 O ATOM 0 H GLU A 69 69.446 -5.447 15.283 1.00 0.00 H new ATOM 0 HA GLU A 69 68.588 -4.366 17.593 1.00 0.00 H new ATOM 0 HB2 GLU A 69 70.982 -3.894 17.986 1.00 0.00 H new ATOM 0 HB3 GLU A 69 70.831 -5.389 17.083 1.00 0.00 H new ATOM 0 HG2 GLU A 69 71.447 -4.265 14.994 1.00 0.00 H new ATOM 0 HG3 GLU A 69 71.409 -2.695 15.771 1.00 0.00 H new ATOM 731 N GLU A 70 69.092 -1.965 15.464 1.00 0.00 N ATOM 732 CA GLU A 70 68.972 -0.549 15.177 1.00 0.00 C ATOM 733 C GLU A 70 68.101 -0.396 13.928 1.00 0.00 C ATOM 734 O GLU A 70 67.733 -1.357 13.269 1.00 0.00 O ATOM 735 CB GLU A 70 70.382 0.005 14.942 1.00 0.00 C ATOM 736 CG GLU A 70 71.274 -0.096 16.199 1.00 0.00 C ATOM 737 CD GLU A 70 71.119 1.082 17.169 1.00 0.00 C ATOM 738 OE1 GLU A 70 70.132 1.812 17.085 1.00 0.00 O ATOM 739 OE2 GLU A 70 71.990 1.248 18.019 1.00 0.00 O ATOM 0 H GLU A 70 69.281 -2.536 14.640 1.00 0.00 H new ATOM 0 HA GLU A 70 68.511 -0.000 15.998 1.00 0.00 H new ATOM 0 HB2 GLU A 70 70.851 -0.540 14.123 1.00 0.00 H new ATOM 0 HB3 GLU A 70 70.312 1.048 14.633 1.00 0.00 H new ATOM 0 HG2 GLU A 70 71.039 -1.021 16.726 1.00 0.00 H new ATOM 0 HG3 GLU A 70 72.317 -0.163 15.888 1.00 0.00 H new ATOM 746 N GLU A 71 67.801 0.890 13.672 1.00 0.00 N ATOM 747 CA GLU A 71 66.976 1.285 12.541 1.00 0.00 C ATOM 748 C GLU A 71 67.869 1.510 11.300 1.00 0.00 C ATOM 749 O GLU A 71 69.088 1.421 11.390 1.00 0.00 O ATOM 750 CB GLU A 71 66.217 2.552 12.980 1.00 0.00 C ATOM 751 CG GLU A 71 64.755 2.320 13.419 1.00 0.00 C ATOM 752 CD GLU A 71 63.888 1.475 12.453 1.00 0.00 C ATOM 753 OE1 GLU A 71 63.915 0.248 12.547 1.00 0.00 O ATOM 754 OE2 GLU A 71 63.182 2.053 11.625 1.00 0.00 O ATOM 0 H GLU A 71 68.125 1.670 14.244 1.00 0.00 H new ATOM 0 HA GLU A 71 66.257 0.517 12.255 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.759 3.014 13.805 1.00 0.00 H new ATOM 0 HB3 GLU A 71 66.224 3.265 12.156 1.00 0.00 H new ATOM 0 HG2 GLU A 71 64.761 1.832 14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 71 64.277 3.290 13.552 1.00 0.00 H new ATOM 761 N PRO A 72 67.219 1.796 10.125 1.00 0.00 N ATOM 762 CA PRO A 72 67.957 2.034 8.888 1.00 0.00 C ATOM 763 C PRO A 72 68.682 3.379 8.906 1.00 0.00 C ATOM 764 O PRO A 72 69.824 3.524 8.494 1.00 0.00 O ATOM 765 CB PRO A 72 66.870 2.068 7.798 1.00 0.00 C ATOM 766 CG PRO A 72 65.583 2.444 8.533 1.00 0.00 C ATOM 767 CD PRO A 72 65.772 1.898 9.942 1.00 0.00 C ATOM 0 HA PRO A 72 68.719 1.270 8.732 1.00 0.00 H new ATOM 0 HB2 PRO A 72 67.110 2.797 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 72 66.775 1.100 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 72 65.433 3.524 8.543 1.00 0.00 H new ATOM 0 HG3 PRO A 72 64.709 2.005 8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 72 65.327 2.561 10.684 1.00 0.00 H new ATOM 0 HD3 PRO A 72 65.292 0.926 10.055 1.00 0.00 H new ATOM 775 N GLU A 73 67.942 4.341 9.480 1.00 0.00 N ATOM 776 CA GLU A 73 68.420 5.701 9.639 1.00 0.00 C ATOM 777 C GLU A 73 69.719 5.793 10.470 1.00 0.00 C ATOM 778 O GLU A 73 70.398 6.811 10.451 1.00 0.00 O ATOM 779 CB GLU A 73 67.312 6.506 10.328 1.00 0.00 C ATOM 780 CG GLU A 73 66.780 5.796 11.590 1.00 0.00 C ATOM 781 CD GLU A 73 66.281 6.727 12.707 1.00 0.00 C ATOM 782 OE1 GLU A 73 66.326 7.948 12.550 1.00 0.00 O ATOM 783 OE2 GLU A 73 65.851 6.212 13.738 1.00 0.00 O ATOM 0 H GLU A 73 67.001 4.187 9.842 1.00 0.00 H new ATOM 0 HA GLU A 73 68.658 6.098 8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 73 67.694 7.490 10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 73 66.491 6.665 9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 73 65.963 5.136 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 73 67.572 5.165 11.993 1.00 0.00 H new ATOM 790 N ASP A 74 70.017 4.685 11.193 1.00 0.00 N ATOM 791 CA ASP A 74 71.171 4.650 12.077 1.00 0.00 C ATOM 792 C ASP A 74 72.401 4.027 11.396 1.00 0.00 C ATOM 793 O ASP A 74 73.240 3.438 12.063 1.00 0.00 O ATOM 794 CB ASP A 74 70.796 3.835 13.335 1.00 0.00 C ATOM 795 CG ASP A 74 71.500 4.351 14.609 1.00 0.00 C ATOM 796 OD1 ASP A 74 71.863 5.526 14.675 1.00 0.00 O ATOM 797 OD2 ASP A 74 71.676 3.571 15.538 1.00 0.00 O ATOM 0 H ASP A 74 69.472 3.823 11.171 1.00 0.00 H new ATOM 0 HA ASP A 74 71.437 5.673 12.343 1.00 0.00 H new ATOM 0 HB2 ASP A 74 69.716 3.874 13.480 1.00 0.00 H new ATOM 0 HB3 ASP A 74 71.059 2.789 13.177 1.00 0.00 H new ATOM 802 N TYR A 75 72.459 4.166 10.055 1.00 0.00 N ATOM 803 CA TYR A 75 73.501 3.514 9.271 1.00 0.00 C ATOM 804 C TYR A 75 73.750 4.368 8.008 1.00 0.00 C ATOM 805 O TYR A 75 72.820 4.863 7.391 1.00 0.00 O ATOM 806 CB TYR A 75 73.038 2.078 8.917 1.00 0.00 C ATOM 807 CG TYR A 75 73.458 1.049 9.941 1.00 0.00 C ATOM 808 CD1 TYR A 75 72.687 0.785 11.069 1.00 0.00 C ATOM 809 CD2 TYR A 75 74.652 0.357 9.782 1.00 0.00 C ATOM 810 CE1 TYR A 75 73.127 -0.116 12.030 1.00 0.00 C ATOM 811 CE2 TYR A 75 75.099 -0.547 10.736 1.00 0.00 C ATOM 812 CZ TYR A 75 74.336 -0.778 11.874 1.00 0.00 C ATOM 813 OH TYR A 75 74.764 -1.645 12.861 1.00 0.00 O ATOM 0 H TYR A 75 71.800 4.719 9.508 1.00 0.00 H new ATOM 0 HA TYR A 75 74.435 3.434 9.828 1.00 0.00 H new ATOM 0 HB2 TYR A 75 71.952 2.066 8.823 1.00 0.00 H new ATOM 0 HB3 TYR A 75 73.445 1.801 7.945 1.00 0.00 H new ATOM 0 HD1 TYR A 75 71.738 1.285 11.198 1.00 0.00 H new ATOM 0 HD2 TYR A 75 75.246 0.526 8.896 1.00 0.00 H new ATOM 0 HE1 TYR A 75 72.523 -0.303 12.906 1.00 0.00 H new ATOM 0 HE2 TYR A 75 76.034 -1.068 10.594 1.00 0.00 H new ATOM 0 HH TYR A 75 75.627 -2.031 12.605 1.00 0.00 H new ATOM 823 N GLU A 76 75.052 4.520 7.678 1.00 0.00 N ATOM 824 CA GLU A 76 75.524 5.242 6.505 1.00 0.00 C ATOM 825 C GLU A 76 76.114 4.245 5.505 1.00 0.00 C ATOM 826 O GLU A 76 76.649 3.203 5.865 1.00 0.00 O ATOM 827 CB GLU A 76 76.581 6.288 6.905 1.00 0.00 C ATOM 828 CG GLU A 76 77.884 5.695 7.491 1.00 0.00 C ATOM 829 CD GLU A 76 77.875 5.704 9.016 1.00 0.00 C ATOM 830 OE1 GLU A 76 76.796 5.669 9.594 1.00 0.00 O ATOM 831 OE2 GLU A 76 78.950 5.752 9.608 1.00 0.00 O ATOM 0 H GLU A 76 75.809 4.131 8.240 1.00 0.00 H new ATOM 0 HA GLU A 76 74.687 5.766 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 76 76.831 6.886 6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 76 76.144 6.965 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 76 78.011 4.673 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 76 78.738 6.267 7.129 1.00 0.00 H new ATOM 838 N LEU A 77 75.976 4.648 4.230 1.00 0.00 N ATOM 839 CA LEU A 77 76.405 3.818 3.117 1.00 0.00 C ATOM 840 C LEU A 77 77.611 4.452 2.442 1.00 0.00 C ATOM 841 O LEU A 77 77.617 5.646 2.197 1.00 0.00 O ATOM 842 CB LEU A 77 75.267 3.776 2.097 1.00 0.00 C ATOM 843 CG LEU A 77 75.002 2.360 1.591 1.00 0.00 C ATOM 844 CD1 LEU A 77 73.785 1.786 2.309 1.00 0.00 C ATOM 845 CD2 LEU A 77 74.814 2.370 0.076 1.00 0.00 C ATOM 0 H LEU A 77 75.570 5.543 3.956 1.00 0.00 H new ATOM 0 HA LEU A 77 76.661 2.821 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 77 74.359 4.174 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 77 75.512 4.422 1.254 1.00 0.00 H new ATOM 0 HG LEU A 77 75.858 1.721 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 77 73.594 0.775 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 77 73.975 1.760 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 77 72.916 2.413 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 77 74.626 1.355 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 77 73.967 3.006 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 77 75.715 2.756 -0.400 1.00 0.00 H new ATOM 857 N LEU A 78 78.609 3.596 2.147 1.00 0.00 N ATOM 858 CA LEU A 78 79.833 4.077 1.533 1.00 0.00 C ATOM 859 C LEU A 78 80.089 3.248 0.281 1.00 0.00 C ATOM 860 O LEU A 78 79.776 2.082 0.282 1.00 0.00 O ATOM 861 CB LEU A 78 80.993 3.890 2.516 1.00 0.00 C ATOM 862 CG LEU A 78 80.849 4.598 3.875 1.00 0.00 C ATOM 863 CD1 LEU A 78 80.592 6.081 3.684 1.00 0.00 C ATOM 864 CD2 LEU A 78 79.828 3.953 4.806 1.00 0.00 C ATOM 0 H LEU A 78 78.582 2.592 2.324 1.00 0.00 H new ATOM 0 HA LEU A 78 79.746 5.133 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 78 81.121 2.823 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.907 4.244 2.040 1.00 0.00 H new ATOM 0 HG LEU A 78 81.804 4.477 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 78 80.493 6.562 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 78 81.425 6.528 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.672 6.221 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.786 4.510 5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 78 78.846 3.964 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 78 80.121 2.923 5.010 1.00 0.00 H new ATOM 876 N GLN A 79 80.653 3.868 -0.778 1.00 0.00 N ATOM 877 CA GLN A 79 80.966 3.102 -1.984 1.00 0.00 C ATOM 878 C GLN A 79 82.484 2.963 -2.120 1.00 0.00 C ATOM 879 O GLN A 79 83.196 3.940 -2.007 1.00 0.00 O ATOM 880 CB GLN A 79 80.413 3.841 -3.205 1.00 0.00 C ATOM 881 CG GLN A 79 80.379 2.911 -4.435 1.00 0.00 C ATOM 882 CD GLN A 79 81.166 3.426 -5.619 1.00 0.00 C ATOM 883 OE1 GLN A 79 80.606 3.816 -6.631 1.00 0.00 O ATOM 884 NE2 GLN A 79 82.485 3.381 -5.444 1.00 0.00 N ATOM 0 H GLN A 79 80.890 4.859 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 79 80.515 2.112 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 79 79.409 4.206 -2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 79 81.031 4.713 -3.419 1.00 0.00 H new ATOM 0 HG2 GLN A 79 80.770 1.934 -4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 79 79.342 2.764 -4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 79 82.871 3.040 -4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 79 83.109 3.688 -6.190 1.00 0.00 H new ATOM 893 N ILE A 80 82.949 1.725 -2.379 1.00 0.00 N ATOM 894 CA ILE A 80 84.386 1.498 -2.509 1.00 0.00 C ATOM 895 C ILE A 80 84.741 1.397 -3.994 1.00 0.00 C ATOM 896 O ILE A 80 84.184 0.597 -4.735 1.00 0.00 O ATOM 897 CB ILE A 80 84.760 0.190 -1.818 1.00 0.00 C ATOM 898 CG1 ILE A 80 84.426 0.199 -0.322 1.00 0.00 C ATOM 899 CG2 ILE A 80 86.232 -0.188 -2.038 1.00 0.00 C ATOM 900 CD1 ILE A 80 83.842 -1.155 0.086 1.00 0.00 C ATOM 0 H ILE A 80 82.366 0.897 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 80 84.930 2.323 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 80 84.145 -0.576 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 80 85.324 0.408 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 80 83.713 0.994 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 80 86.447 -1.126 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 80 86.422 -0.305 -3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 80 86.873 0.598 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 80 83.606 -1.144 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 80 82.933 -1.346 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 80 84.570 -1.941 -0.116 1.00 0.00 H new ATOM 912 N LEU A 81 85.708 2.260 -4.357 1.00 0.00 N ATOM 913 CA LEU A 81 86.100 2.442 -5.742 1.00 0.00 C ATOM 914 C LEU A 81 87.538 1.961 -5.937 1.00 0.00 C ATOM 915 O LEU A 81 87.771 0.795 -6.228 1.00 0.00 O ATOM 916 CB LEU A 81 85.871 3.901 -6.185 1.00 0.00 C ATOM 917 CG LEU A 81 86.117 4.972 -5.119 1.00 0.00 C ATOM 918 CD1 LEU A 81 86.464 6.309 -5.799 1.00 0.00 C ATOM 919 CD2 LEU A 81 84.942 5.080 -4.128 1.00 0.00 C ATOM 0 H LEU A 81 86.227 2.839 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 81 85.472 1.833 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 81 86.520 4.108 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.844 3.996 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 81 86.973 4.679 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 81 86.639 7.070 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.363 6.187 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 81 85.636 6.618 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 81 85.159 5.852 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 81 84.033 5.341 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 81 84.802 4.124 -3.624 1.00 0.00 H new ATOM 931 N SER A 82 88.485 2.912 -5.749 1.00 0.00 N ATOM 932 CA SER A 82 89.904 2.590 -5.809 1.00 0.00 C ATOM 933 C SER A 82 90.214 1.589 -4.683 1.00 0.00 C ATOM 934 O SER A 82 89.343 1.253 -3.886 1.00 0.00 O ATOM 935 CB SER A 82 90.758 3.872 -5.706 1.00 0.00 C ATOM 936 OG SER A 82 89.947 5.029 -5.873 1.00 0.00 O ATOM 0 H SER A 82 88.281 3.893 -5.558 1.00 0.00 H new ATOM 0 HA SER A 82 90.154 2.133 -6.766 1.00 0.00 H new ATOM 0 HB2 SER A 82 91.256 3.907 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 82 91.540 3.857 -6.465 1.00 0.00 H new ATOM 0 HG SER A 82 90.504 5.832 -5.803 1.00 0.00 H new ATOM 942 N ASP A 83 91.489 1.147 -4.679 1.00 0.00 N ATOM 943 CA ASP A 83 92.030 0.170 -3.727 1.00 0.00 C ATOM 944 C ASP A 83 91.315 0.213 -2.360 1.00 0.00 C ATOM 945 O ASP A 83 90.629 -0.725 -1.971 1.00 0.00 O ATOM 946 CB ASP A 83 93.545 0.386 -3.540 1.00 0.00 C ATOM 947 CG ASP A 83 94.303 0.466 -4.882 1.00 0.00 C ATOM 948 OD1 ASP A 83 94.261 1.515 -5.526 1.00 0.00 O ATOM 949 OD2 ASP A 83 94.937 -0.516 -5.264 1.00 0.00 O ATOM 0 H ASP A 83 92.181 1.470 -5.355 1.00 0.00 H new ATOM 0 HA ASP A 83 91.851 -0.818 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 83 93.711 1.305 -2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 83 93.954 -0.430 -2.944 1.00 0.00 H new ATOM 954 N ASP A 84 91.489 1.380 -1.695 1.00 0.00 N ATOM 955 CA ASP A 84 90.872 1.612 -0.393 1.00 0.00 C ATOM 956 C ASP A 84 89.988 2.861 -0.377 1.00 0.00 C ATOM 957 O ASP A 84 89.328 3.143 0.616 1.00 0.00 O ATOM 958 CB ASP A 84 91.988 1.746 0.664 1.00 0.00 C ATOM 959 CG ASP A 84 91.755 0.886 1.925 1.00 0.00 C ATOM 960 OD1 ASP A 84 90.956 -0.051 1.889 1.00 0.00 O ATOM 961 OD2 ASP A 84 92.389 1.164 2.940 1.00 0.00 O ATOM 0 H ASP A 84 92.047 2.159 -2.044 1.00 0.00 H new ATOM 0 HA ASP A 84 90.224 0.764 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 84 92.939 1.463 0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 84 92.073 2.792 0.959 1.00 0.00 H new ATOM 966 N ARG A 85 90.007 3.585 -1.515 1.00 0.00 N ATOM 967 CA ARG A 85 89.216 4.797 -1.628 1.00 0.00 C ATOM 968 C ARG A 85 87.727 4.464 -1.439 1.00 0.00 C ATOM 969 O ARG A 85 87.140 3.711 -2.200 1.00 0.00 O ATOM 970 CB ARG A 85 89.472 5.393 -3.011 1.00 0.00 C ATOM 971 CG ARG A 85 89.395 6.916 -3.047 1.00 0.00 C ATOM 972 CD ARG A 85 88.036 7.464 -2.648 1.00 0.00 C ATOM 973 NE ARG A 85 88.165 8.892 -2.461 1.00 0.00 N ATOM 974 CZ ARG A 85 87.149 9.600 -1.939 1.00 0.00 C ATOM 975 NH1 ARG A 85 86.221 9.013 -1.197 1.00 0.00 N ATOM 976 NH2 ARG A 85 87.069 10.896 -2.192 1.00 0.00 N ATOM 0 H ARG A 85 90.553 3.347 -2.343 1.00 0.00 H new ATOM 0 HA ARG A 85 89.495 5.518 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 85 90.458 5.080 -3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 85 88.745 4.985 -3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 85 90.153 7.326 -2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 85 89.636 7.260 -4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 85 87.297 7.246 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 85 87.689 6.990 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 85 89.030 9.363 -2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.272 8.011 -1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 85 85.456 9.564 -0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 85 87.773 11.346 -2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 85 86.303 11.445 -1.802 1.00 0.00 H new ATOM 990 N LYS A 86 87.186 5.062 -0.361 1.00 0.00 N ATOM 991 CA LYS A 86 85.800 4.861 0.009 1.00 0.00 C ATOM 992 C LYS A 86 85.094 6.229 0.065 1.00 0.00 C ATOM 993 O LYS A 86 85.578 7.164 0.684 1.00 0.00 O ATOM 994 CB LYS A 86 85.803 4.226 1.393 1.00 0.00 C ATOM 995 CG LYS A 86 84.392 3.883 1.858 1.00 0.00 C ATOM 996 CD LYS A 86 84.268 4.071 3.367 1.00 0.00 C ATOM 997 CE LYS A 86 84.270 5.566 3.748 1.00 0.00 C ATOM 998 NZ LYS A 86 85.232 5.824 4.805 1.00 0.00 N ATOM 0 H LYS A 86 87.700 5.686 0.260 1.00 0.00 H new ATOM 0 HA LYS A 86 85.279 4.227 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 86 86.411 3.322 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 86 86.265 4.909 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 86 83.669 4.518 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 86 84.155 2.852 1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 86 83.348 3.605 3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 86 85.093 3.565 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 86 84.513 6.169 2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 86 83.274 5.865 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 85.219 6.835 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 84.984 5.263 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 86.184 5.558 4.481 1.00 0.00 H new ATOM 1012 N LEU A 87 83.919 6.263 -0.600 1.00 0.00 N ATOM 1013 CA LEU A 87 83.080 7.443 -0.733 1.00 0.00 C ATOM 1014 C LEU A 87 81.851 7.284 0.150 1.00 0.00 C ATOM 1015 O LEU A 87 81.535 6.190 0.570 1.00 0.00 O ATOM 1016 CB LEU A 87 82.663 7.596 -2.209 1.00 0.00 C ATOM 1017 CG LEU A 87 83.393 8.782 -2.868 1.00 0.00 C ATOM 1018 CD1 LEU A 87 84.598 8.307 -3.670 1.00 0.00 C ATOM 1019 CD2 LEU A 87 82.461 9.656 -3.720 1.00 0.00 C ATOM 0 H LEU A 87 83.530 5.443 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 87 83.626 8.333 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 87 82.889 6.678 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 87 81.585 7.747 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 87 83.752 9.417 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 87 85.094 9.165 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 87 85.295 7.793 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 87 84.268 7.623 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 87 83.031 10.475 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 87 82.022 9.053 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 87 81.668 10.061 -3.092 1.00 0.00 H new ATOM 1031 N LYS A 88 81.191 8.441 0.396 1.00 0.00 N ATOM 1032 CA LYS A 88 79.979 8.486 1.209 1.00 0.00 C ATOM 1033 C LYS A 88 78.769 8.758 0.319 1.00 0.00 C ATOM 1034 O LYS A 88 78.845 9.523 -0.633 1.00 0.00 O ATOM 1035 CB LYS A 88 80.132 9.582 2.274 1.00 0.00 C ATOM 1036 CG LYS A 88 79.502 9.228 3.633 1.00 0.00 C ATOM 1037 CD LYS A 88 80.499 9.462 4.773 1.00 0.00 C ATOM 1038 CE LYS A 88 80.758 10.959 4.989 1.00 0.00 C ATOM 1039 NZ LYS A 88 82.161 11.296 4.796 1.00 0.00 N ATOM 0 H LYS A 88 81.487 9.349 0.038 1.00 0.00 H new ATOM 0 HA LYS A 88 79.827 7.528 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 88 81.193 9.787 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 88 79.678 10.501 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 88 78.610 9.833 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 88 79.184 8.186 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 88 80.113 9.021 5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.438 8.957 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.146 11.538 4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 88 80.452 11.240 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 82.298 12.315 4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 82.743 10.762 5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 82.447 11.051 3.826 1.00 0.00 H new ATOM 1053 N ILE A 89 77.661 8.078 0.688 1.00 0.00 N ATOM 1054 CA ILE A 89 76.431 8.184 -0.082 1.00 0.00 C ATOM 1055 C ILE A 89 75.441 9.096 0.671 1.00 0.00 C ATOM 1056 O ILE A 89 75.312 9.021 1.887 1.00 0.00 O ATOM 1057 CB ILE A 89 75.828 6.791 -0.332 1.00 0.00 C ATOM 1058 CG1 ILE A 89 76.859 5.927 -1.077 1.00 0.00 C ATOM 1059 CG2 ILE A 89 74.475 6.806 -1.081 1.00 0.00 C ATOM 1060 CD1 ILE A 89 76.243 4.807 -1.908 1.00 0.00 C ATOM 0 H ILE A 89 77.606 7.464 1.501 1.00 0.00 H new ATOM 0 HA ILE A 89 76.646 8.625 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 89 75.601 6.363 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 89 77.450 6.568 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 89 77.546 5.492 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 89 74.122 5.784 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 89 73.744 7.369 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 89 74.604 7.276 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 89 77.034 4.243 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 89 75.675 4.142 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 89 75.579 5.234 -2.659 1.00 0.00 H new ATOM 1072 N PRO A 90 74.722 9.938 -0.125 1.00 0.00 N ATOM 1073 CA PRO A 90 73.635 10.792 0.376 1.00 0.00 C ATOM 1074 C PRO A 90 72.446 9.943 0.835 1.00 0.00 C ATOM 1075 O PRO A 90 72.463 8.738 0.661 1.00 0.00 O ATOM 1076 CB PRO A 90 73.224 11.614 -0.851 1.00 0.00 C ATOM 1077 CG PRO A 90 73.640 10.735 -2.020 1.00 0.00 C ATOM 1078 CD PRO A 90 74.888 10.024 -1.575 1.00 0.00 C ATOM 0 HA PRO A 90 73.944 11.398 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 90 72.153 11.814 -0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 90 73.729 12.580 -0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 90 72.854 10.024 -2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 90 73.828 11.333 -2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 90 74.974 9.037 -2.030 1.00 0.00 H new ATOM 0 HD3 PRO A 90 75.786 10.579 -1.846 1.00 0.00 H new ATOM 1086 N GLU A 91 71.440 10.625 1.428 1.00 0.00 N ATOM 1087 CA GLU A 91 70.269 9.947 1.981 1.00 0.00 C ATOM 1088 C GLU A 91 69.129 9.741 0.951 1.00 0.00 C ATOM 1089 O GLU A 91 68.212 8.979 1.204 1.00 0.00 O ATOM 1090 CB GLU A 91 69.766 10.718 3.200 1.00 0.00 C ATOM 1091 CG GLU A 91 68.597 10.019 3.923 1.00 0.00 C ATOM 1092 CD GLU A 91 68.221 10.691 5.254 1.00 0.00 C ATOM 1093 OE1 GLU A 91 69.058 11.378 5.839 1.00 0.00 O ATOM 1094 OE2 GLU A 91 67.086 10.513 5.694 1.00 0.00 O ATOM 0 H GLU A 91 71.425 11.640 1.531 1.00 0.00 H new ATOM 0 HA GLU A 91 70.585 8.946 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 91 70.589 10.853 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 91 69.448 11.712 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 91 67.726 10.011 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 91 68.864 8.979 4.111 1.00 0.00 H new ATOM 1101 N ASN A 92 69.186 10.438 -0.203 1.00 0.00 N ATOM 1102 CA ASN A 92 68.062 10.295 -1.142 1.00 0.00 C ATOM 1103 C ASN A 92 68.521 10.453 -2.589 1.00 0.00 C ATOM 1104 O ASN A 92 67.739 10.749 -3.483 1.00 0.00 O ATOM 1105 CB ASN A 92 66.982 11.346 -0.819 1.00 0.00 C ATOM 1106 CG ASN A 92 65.549 10.996 -1.280 1.00 0.00 C ATOM 1107 OD1 ASN A 92 64.582 11.452 -0.682 1.00 0.00 O ATOM 1108 ND2 ASN A 92 65.435 10.158 -2.331 1.00 0.00 N ATOM 0 H ASN A 92 69.940 11.061 -0.491 1.00 0.00 H new ATOM 0 HA ASN A 92 67.649 9.293 -1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 92 66.968 11.507 0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 92 67.271 12.291 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 92 64.512 9.877 -2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 92 66.272 9.806 -2.795 1.00 0.00 H new ATOM 1115 N ALA A 93 69.825 10.236 -2.797 1.00 0.00 N ATOM 1116 CA ALA A 93 70.247 10.229 -4.182 1.00 0.00 C ATOM 1117 C ALA A 93 70.138 8.788 -4.626 1.00 0.00 C ATOM 1118 O ALA A 93 70.644 7.897 -3.955 1.00 0.00 O ATOM 1119 CB ALA A 93 71.663 10.746 -4.282 1.00 0.00 C ATOM 0 H ALA A 93 70.542 10.077 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 93 69.637 10.873 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 93 71.980 10.740 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 93 71.707 11.764 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 93 72.326 10.107 -3.698 1.00 0.00 H new ATOM 1125 N ASN A 94 69.437 8.631 -5.774 1.00 0.00 N ATOM 1126 CA ASN A 94 69.219 7.337 -6.413 1.00 0.00 C ATOM 1127 C ASN A 94 70.521 6.559 -6.328 1.00 0.00 C ATOM 1128 O ASN A 94 71.484 6.924 -6.984 1.00 0.00 O ATOM 1129 CB ASN A 94 68.862 7.551 -7.903 1.00 0.00 C ATOM 1130 CG ASN A 94 67.690 8.526 -8.138 1.00 0.00 C ATOM 1131 OD1 ASN A 94 67.556 9.098 -9.213 1.00 0.00 O ATOM 1132 ND2 ASN A 94 66.873 8.703 -7.084 1.00 0.00 N ATOM 0 H ASN A 94 69.010 9.410 -6.275 1.00 0.00 H new ATOM 0 HA ASN A 94 68.407 6.800 -5.922 1.00 0.00 H new ATOM 0 HB2 ASN A 94 69.742 7.926 -8.426 1.00 0.00 H new ATOM 0 HB3 ASN A 94 68.613 6.587 -8.348 1.00 0.00 H new ATOM 0 HD21 ASN A 94 66.084 9.346 -7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 94 67.042 8.194 -6.216 1.00 0.00 H new ATOM 1139 N VAL A 95 70.524 5.533 -5.439 1.00 0.00 N ATOM 1140 CA VAL A 95 71.750 4.780 -5.194 1.00 0.00 C ATOM 1141 C VAL A 95 72.353 4.335 -6.524 1.00 0.00 C ATOM 1142 O VAL A 95 73.541 4.386 -6.697 1.00 0.00 O ATOM 1143 CB VAL A 95 71.507 3.573 -4.276 1.00 0.00 C ATOM 1144 CG1 VAL A 95 72.750 2.665 -4.099 1.00 0.00 C ATOM 1145 CG2 VAL A 95 70.921 3.986 -2.916 1.00 0.00 C ATOM 0 H VAL A 95 69.712 5.226 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 95 72.453 5.435 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 95 70.761 2.969 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 95 72.503 1.834 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 95 73.058 2.277 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 95 73.565 3.244 -3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 95 70.767 3.099 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 95 71.613 4.661 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 95 69.968 4.492 -3.069 1.00 0.00 H new ATOM 1155 N PHE A 96 71.491 3.958 -7.482 1.00 0.00 N ATOM 1156 CA PHE A 96 72.031 3.591 -8.786 1.00 0.00 C ATOM 1157 C PHE A 96 73.015 4.647 -9.393 1.00 0.00 C ATOM 1158 O PHE A 96 74.036 4.311 -9.976 1.00 0.00 O ATOM 1159 CB PHE A 96 70.845 3.333 -9.720 1.00 0.00 C ATOM 1160 CG PHE A 96 71.176 2.467 -10.909 1.00 0.00 C ATOM 1161 CD1 PHE A 96 72.476 2.058 -11.206 1.00 0.00 C ATOM 1162 CD2 PHE A 96 70.154 2.053 -11.753 1.00 0.00 C ATOM 1163 CE1 PHE A 96 72.759 1.315 -12.333 1.00 0.00 C ATOM 1164 CE2 PHE A 96 70.431 1.284 -12.871 1.00 0.00 C ATOM 1165 CZ PHE A 96 71.733 0.928 -13.175 1.00 0.00 C ATOM 0 H PHE A 96 70.477 3.903 -7.384 1.00 0.00 H new ATOM 0 HA PHE A 96 72.641 2.696 -8.664 1.00 0.00 H new ATOM 0 HB2 PHE A 96 70.044 2.860 -9.151 1.00 0.00 H new ATOM 0 HB3 PHE A 96 70.462 4.289 -10.076 1.00 0.00 H new ATOM 0 HD1 PHE A 96 73.280 2.329 -10.538 1.00 0.00 H new ATOM 0 HD2 PHE A 96 69.134 2.333 -11.536 1.00 0.00 H new ATOM 0 HE1 PHE A 96 73.778 1.037 -12.557 1.00 0.00 H new ATOM 0 HE2 PHE A 96 69.624 0.959 -13.511 1.00 0.00 H new ATOM 0 HZ PHE A 96 71.946 0.352 -14.063 1.00 0.00 H new ATOM 1175 N TYR A 97 72.668 5.931 -9.210 1.00 0.00 N ATOM 1176 CA TYR A 97 73.452 7.033 -9.765 1.00 0.00 C ATOM 1177 C TYR A 97 74.278 7.824 -8.724 1.00 0.00 C ATOM 1178 O TYR A 97 74.926 8.800 -9.083 1.00 0.00 O ATOM 1179 CB TYR A 97 72.471 7.963 -10.495 1.00 0.00 C ATOM 1180 CG TYR A 97 72.507 7.714 -11.976 1.00 0.00 C ATOM 1181 CD1 TYR A 97 73.520 8.276 -12.743 1.00 0.00 C ATOM 1182 CD2 TYR A 97 71.544 6.923 -12.592 1.00 0.00 C ATOM 1183 CE1 TYR A 97 73.565 8.071 -14.115 1.00 0.00 C ATOM 1184 CE2 TYR A 97 71.583 6.717 -13.965 1.00 0.00 C ATOM 1185 CZ TYR A 97 72.587 7.296 -14.729 1.00 0.00 C ATOM 1186 OH TYR A 97 72.597 7.099 -16.096 1.00 0.00 O ATOM 0 H TYR A 97 71.848 6.226 -8.681 1.00 0.00 H new ATOM 0 HA TYR A 97 74.198 6.610 -10.438 1.00 0.00 H new ATOM 0 HB2 TYR A 97 71.461 7.802 -10.118 1.00 0.00 H new ATOM 0 HB3 TYR A 97 72.726 9.003 -10.289 1.00 0.00 H new ATOM 0 HD1 TYR A 97 74.280 8.878 -12.267 1.00 0.00 H new ATOM 0 HD2 TYR A 97 70.763 6.467 -12.001 1.00 0.00 H new ATOM 0 HE1 TYR A 97 74.356 8.512 -14.703 1.00 0.00 H new ATOM 0 HE2 TYR A 97 70.830 6.105 -14.439 1.00 0.00 H new ATOM 0 HH TYR A 97 71.840 6.531 -16.350 1.00 0.00 H new ATOM 1196 N ALA A 98 74.232 7.390 -7.444 1.00 0.00 N ATOM 1197 CA ALA A 98 74.863 8.168 -6.371 1.00 0.00 C ATOM 1198 C ALA A 98 76.253 7.645 -5.973 1.00 0.00 C ATOM 1199 O ALA A 98 76.848 8.094 -5.000 1.00 0.00 O ATOM 1200 CB ALA A 98 73.948 8.128 -5.153 1.00 0.00 C ATOM 0 H ALA A 98 73.777 6.529 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 98 75.006 9.183 -6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 98 74.397 8.701 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 98 72.981 8.560 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 98 73.810 7.095 -4.835 1.00 0.00 H new ATOM 1206 N MET A 99 76.715 6.668 -6.770 1.00 0.00 N ATOM 1207 CA MET A 99 77.920 5.918 -6.480 1.00 0.00 C ATOM 1208 C MET A 99 78.789 6.080 -7.718 1.00 0.00 C ATOM 1209 O MET A 99 78.309 6.020 -8.841 1.00 0.00 O ATOM 1210 CB MET A 99 77.611 4.438 -6.132 1.00 0.00 C ATOM 1211 CG MET A 99 76.135 4.017 -6.172 1.00 0.00 C ATOM 1212 SD MET A 99 75.730 2.917 -7.561 1.00 0.00 S ATOM 1213 CE MET A 99 76.573 3.765 -8.903 1.00 0.00 C ATOM 0 H MET A 99 76.252 6.385 -7.634 1.00 0.00 H new ATOM 0 HA MET A 99 78.436 6.288 -5.594 1.00 0.00 H new ATOM 0 HB2 MET A 99 78.166 3.803 -6.823 1.00 0.00 H new ATOM 0 HB3 MET A 99 77.996 4.235 -5.133 1.00 0.00 H new ATOM 0 HG2 MET A 99 75.883 3.516 -5.237 1.00 0.00 H new ATOM 0 HG3 MET A 99 75.513 4.910 -6.233 1.00 0.00 H new ATOM 0 HE1 MET A 99 76.266 3.333 -9.856 1.00 0.00 H new ATOM 0 HE2 MET A 99 76.314 4.824 -8.884 1.00 0.00 H new ATOM 0 HE3 MET A 99 77.651 3.653 -8.784 1.00 0.00 H new ATOM 1223 N ASN A 100 80.083 6.309 -7.441 1.00 0.00 N ATOM 1224 CA ASN A 100 81.134 6.355 -8.456 1.00 0.00 C ATOM 1225 C ASN A 100 80.949 5.243 -9.511 1.00 0.00 C ATOM 1226 O ASN A 100 81.312 4.092 -9.300 1.00 0.00 O ATOM 1227 CB ASN A 100 82.501 6.159 -7.781 1.00 0.00 C ATOM 1228 CG ASN A 100 82.725 7.190 -6.676 1.00 0.00 C ATOM 1229 OD1 ASN A 100 83.338 8.228 -6.893 1.00 0.00 O ATOM 1230 ND2 ASN A 100 82.202 6.838 -5.485 1.00 0.00 N ATOM 0 H ASN A 100 80.427 6.468 -6.494 1.00 0.00 H new ATOM 0 HA ASN A 100 81.078 7.324 -8.952 1.00 0.00 H new ATOM 0 HB2 ASN A 100 82.562 5.154 -7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 100 83.292 6.243 -8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 100 82.304 7.457 -4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 100 81.704 5.953 -5.388 1.00 0.00 H new ATOM 1237 N SER A 101 80.348 5.671 -10.646 1.00 0.00 N ATOM 1238 CA SER A 101 79.982 4.740 -11.709 1.00 0.00 C ATOM 1239 C SER A 101 81.218 4.058 -12.324 1.00 0.00 C ATOM 1240 O SER A 101 81.171 2.924 -12.783 1.00 0.00 O ATOM 1241 CB SER A 101 79.202 5.494 -12.796 1.00 0.00 C ATOM 1242 OG SER A 101 78.299 4.594 -13.427 1.00 0.00 O ATOM 0 H SER A 101 80.114 6.645 -10.837 1.00 0.00 H new ATOM 0 HA SER A 101 79.359 3.957 -11.276 1.00 0.00 H new ATOM 0 HB2 SER A 101 78.656 6.329 -12.357 1.00 0.00 H new ATOM 0 HB3 SER A 101 79.890 5.914 -13.530 1.00 0.00 H new ATOM 0 HG SER A 101 77.796 5.068 -14.121 1.00 0.00 H new ATOM 1248 N THR A 102 82.324 4.833 -12.267 1.00 0.00 N ATOM 1249 CA THR A 102 83.633 4.429 -12.768 1.00 0.00 C ATOM 1250 C THR A 102 84.360 3.430 -11.842 1.00 0.00 C ATOM 1251 O THR A 102 85.555 3.203 -11.984 1.00 0.00 O ATOM 1252 CB THR A 102 84.476 5.708 -12.910 1.00 0.00 C ATOM 1253 OG1 THR A 102 85.686 5.396 -13.582 1.00 0.00 O ATOM 1254 CG2 THR A 102 84.736 6.382 -11.543 1.00 0.00 C ATOM 0 H THR A 102 82.320 5.770 -11.863 1.00 0.00 H new ATOM 0 HA THR A 102 83.497 3.914 -13.719 1.00 0.00 H new ATOM 0 HB THR A 102 83.918 6.433 -13.503 1.00 0.00 H new ATOM 0 HG1 THR A 102 86.034 4.542 -13.250 1.00 0.00 H new ATOM 0 HG21 THR A 102 85.335 7.281 -11.689 1.00 0.00 H new ATOM 0 HG22 THR A 102 83.785 6.650 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 102 85.272 5.691 -10.893 1.00 0.00 H new ATOM 1262 N ALA A 103 83.592 2.865 -10.888 1.00 0.00 N ATOM 1263 CA ALA A 103 84.166 1.979 -9.898 1.00 0.00 C ATOM 1264 C ALA A 103 83.281 0.744 -9.750 1.00 0.00 C ATOM 1265 O ALA A 103 82.214 0.635 -10.342 1.00 0.00 O ATOM 1266 CB ALA A 103 84.290 2.748 -8.589 1.00 0.00 C ATOM 0 H ALA A 103 82.587 3.014 -10.796 1.00 0.00 H new ATOM 0 HA ALA A 103 85.156 1.638 -10.199 1.00 0.00 H new ATOM 0 HB1 ALA A 103 84.721 2.100 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 103 84.935 3.615 -8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 103 83.303 3.081 -8.267 1.00 0.00 H new ATOM 1272 N ASN A 104 83.808 -0.172 -8.912 1.00 0.00 N ATOM 1273 CA ASN A 104 83.118 -1.422 -8.625 1.00 0.00 C ATOM 1274 C ASN A 104 81.897 -1.108 -7.739 1.00 0.00 C ATOM 1275 O ASN A 104 81.872 -0.092 -7.053 1.00 0.00 O ATOM 1276 CB ASN A 104 84.080 -2.375 -7.896 1.00 0.00 C ATOM 1277 CG ASN A 104 85.514 -2.304 -8.455 1.00 0.00 C ATOM 1278 OD1 ASN A 104 85.746 -2.401 -9.655 1.00 0.00 O ATOM 1279 ND2 ASN A 104 86.448 -2.082 -7.510 1.00 0.00 N ATOM 0 H ASN A 104 84.701 -0.061 -8.432 1.00 0.00 H new ATOM 0 HA ASN A 104 82.786 -1.900 -9.546 1.00 0.00 H new ATOM 0 HB2 ASN A 104 84.095 -2.130 -6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 104 83.710 -3.397 -7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 104 87.428 -1.982 -7.775 1.00 0.00 H new ATOM 0 HD22 ASN A 104 86.175 -2.014 -6.530 1.00 0.00 H new ATOM 1286 N TYR A 105 80.892 -2.012 -7.800 1.00 0.00 N ATOM 1287 CA TYR A 105 79.630 -1.783 -7.086 1.00 0.00 C ATOM 1288 C TYR A 105 79.679 -2.346 -5.662 1.00 0.00 C ATOM 1289 O TYR A 105 78.783 -3.047 -5.218 1.00 0.00 O ATOM 1290 CB TYR A 105 78.476 -2.420 -7.880 1.00 0.00 C ATOM 1291 CG TYR A 105 78.277 -1.820 -9.252 1.00 0.00 C ATOM 1292 CD1 TYR A 105 78.895 -0.631 -9.642 1.00 0.00 C ATOM 1293 CD2 TYR A 105 77.451 -2.467 -10.167 1.00 0.00 C ATOM 1294 CE1 TYR A 105 78.717 -0.110 -10.911 1.00 0.00 C ATOM 1295 CE2 TYR A 105 77.261 -1.945 -11.441 1.00 0.00 C ATOM 1296 CZ TYR A 105 77.900 -0.770 -11.819 1.00 0.00 C ATOM 1297 OH TYR A 105 77.717 -0.277 -13.096 1.00 0.00 O ATOM 0 H TYR A 105 80.934 -2.885 -8.325 1.00 0.00 H new ATOM 0 HA TYR A 105 79.468 -0.708 -7.002 1.00 0.00 H new ATOM 0 HB2 TYR A 105 78.665 -3.488 -7.985 1.00 0.00 H new ATOM 0 HB3 TYR A 105 77.553 -2.314 -7.310 1.00 0.00 H new ATOM 0 HD1 TYR A 105 79.525 -0.107 -8.939 1.00 0.00 H new ATOM 0 HD2 TYR A 105 76.953 -3.383 -9.884 1.00 0.00 H new ATOM 0 HE1 TYR A 105 79.212 0.807 -11.194 1.00 0.00 H new ATOM 0 HE2 TYR A 105 76.614 -2.454 -12.140 1.00 0.00 H new ATOM 0 HH TYR A 105 77.114 -0.870 -13.592 1.00 0.00 H new ATOM 1307 N ASP A 106 80.778 -1.975 -4.981 1.00 0.00 N ATOM 1308 CA ASP A 106 81.028 -2.431 -3.625 1.00 0.00 C ATOM 1309 C ASP A 106 80.590 -1.300 -2.687 1.00 0.00 C ATOM 1310 O ASP A 106 80.716 -0.133 -3.021 1.00 0.00 O ATOM 1311 CB ASP A 106 82.528 -2.723 -3.479 1.00 0.00 C ATOM 1312 CG ASP A 106 83.116 -3.593 -4.611 1.00 0.00 C ATOM 1313 OD1 ASP A 106 82.381 -4.353 -5.244 1.00 0.00 O ATOM 1314 OD2 ASP A 106 84.319 -3.494 -4.849 1.00 0.00 O ATOM 0 H ASP A 106 81.500 -1.361 -5.358 1.00 0.00 H new ATOM 0 HA ASP A 106 80.479 -3.342 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 106 83.069 -1.777 -3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 106 82.698 -3.223 -2.526 1.00 0.00 H new ATOM 1319 N PHE A 107 80.040 -1.711 -1.528 1.00 0.00 N ATOM 1320 CA PHE A 107 79.422 -0.784 -0.592 1.00 0.00 C ATOM 1321 C PHE A 107 79.759 -1.244 0.834 1.00 0.00 C ATOM 1322 O PHE A 107 79.934 -2.423 1.085 1.00 0.00 O ATOM 1323 CB PHE A 107 77.900 -0.710 -0.838 1.00 0.00 C ATOM 1324 CG PHE A 107 77.595 0.011 -2.118 1.00 0.00 C ATOM 1325 CD1 PHE A 107 77.701 1.391 -2.198 1.00 0.00 C ATOM 1326 CD2 PHE A 107 77.226 -0.698 -3.252 1.00 0.00 C ATOM 1327 CE1 PHE A 107 77.450 2.034 -3.396 1.00 0.00 C ATOM 1328 CE2 PHE A 107 76.976 -0.050 -4.448 1.00 0.00 C ATOM 1329 CZ PHE A 107 77.096 1.316 -4.520 1.00 0.00 C ATOM 0 H PHE A 107 80.017 -2.685 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 107 79.810 0.225 -0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 107 77.485 -1.717 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 107 77.418 -0.198 -0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 107 77.979 1.963 -1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 107 77.133 -1.773 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 107 77.532 3.109 -3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 107 76.688 -0.616 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 107 76.914 1.827 -5.454 1.00 0.00 H new ATOM 1339 N VAL A 108 79.864 -0.257 1.747 1.00 0.00 N ATOM 1340 CA VAL A 108 80.136 -0.510 3.151 1.00 0.00 C ATOM 1341 C VAL A 108 78.939 0.029 3.936 1.00 0.00 C ATOM 1342 O VAL A 108 78.447 1.118 3.689 1.00 0.00 O ATOM 1343 CB VAL A 108 81.432 0.202 3.593 1.00 0.00 C ATOM 1344 CG1 VAL A 108 82.025 -0.434 4.856 1.00 0.00 C ATOM 1345 CG2 VAL A 108 82.475 0.192 2.478 1.00 0.00 C ATOM 0 H VAL A 108 79.761 0.732 1.518 1.00 0.00 H new ATOM 0 HA VAL A 108 80.276 -1.576 3.331 1.00 0.00 H new ATOM 0 HB VAL A 108 81.163 1.234 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 108 82.936 0.094 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 108 81.303 -0.368 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 108 82.258 -1.481 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 108 83.377 0.701 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 108 82.717 -0.838 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 108 82.077 0.706 1.603 1.00 0.00 H new ATOM 1355 N LEU A 109 78.508 -0.810 4.886 1.00 0.00 N ATOM 1356 CA LEU A 109 77.396 -0.493 5.757 1.00 0.00 C ATOM 1357 C LEU A 109 77.964 -0.239 7.148 1.00 0.00 C ATOM 1358 O LEU A 109 78.347 -1.154 7.856 1.00 0.00 O ATOM 1359 CB LEU A 109 76.446 -1.691 5.812 1.00 0.00 C ATOM 1360 CG LEU A 109 75.081 -1.346 6.422 1.00 0.00 C ATOM 1361 CD1 LEU A 109 74.315 -0.357 5.532 1.00 0.00 C ATOM 1362 CD2 LEU A 109 74.256 -2.608 6.686 1.00 0.00 C ATOM 0 H LEU A 109 78.927 -1.723 5.063 1.00 0.00 H new ATOM 0 HA LEU A 109 76.853 0.380 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 109 76.300 -2.078 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 109 76.908 -2.487 6.396 1.00 0.00 H new ATOM 0 HG LEU A 109 75.258 -0.862 7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 109 73.351 -0.129 5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 109 74.893 0.561 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 109 74.156 -0.800 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 109 73.295 -2.330 7.118 1.00 0.00 H new ATOM 0 HD22 LEU A 109 74.093 -3.139 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 109 74.793 -3.255 7.380 1.00 0.00 H new ATOM 1374 N LYS A 110 77.995 1.059 7.482 1.00 0.00 N ATOM 1375 CA LYS A 110 78.548 1.499 8.750 1.00 0.00 C ATOM 1376 C LYS A 110 77.409 2.042 9.593 1.00 0.00 C ATOM 1377 O LYS A 110 76.490 2.640 9.072 1.00 0.00 O ATOM 1378 CB LYS A 110 79.559 2.611 8.454 1.00 0.00 C ATOM 1379 CG LYS A 110 80.982 2.164 8.685 1.00 0.00 C ATOM 1380 CD LYS A 110 82.014 3.278 8.582 1.00 0.00 C ATOM 1381 CE LYS A 110 82.947 3.302 9.794 1.00 0.00 C ATOM 1382 NZ LYS A 110 84.245 3.829 9.417 1.00 0.00 N ATOM 0 H LYS A 110 77.644 1.811 6.889 1.00 0.00 H new ATOM 0 HA LYS A 110 79.040 0.685 9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 110 79.446 2.937 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 110 79.344 3.473 9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 110 81.052 1.710 9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 110 81.229 1.388 7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 110 82.602 3.146 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 110 81.505 4.238 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 110 82.513 3.915 10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 110 83.058 2.295 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 84.870 3.840 10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 84.663 3.228 8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 84.134 4.797 9.054 1.00 0.00 H new ATOM 1396 N LYS A 111 77.521 1.813 10.918 1.00 0.00 N ATOM 1397 CA LYS A 111 76.541 2.367 11.848 1.00 0.00 C ATOM 1398 C LYS A 111 76.791 3.863 11.958 1.00 0.00 C ATOM 1399 O LYS A 111 77.871 4.265 11.567 1.00 0.00 O ATOM 1400 CB LYS A 111 76.756 1.697 13.201 1.00 0.00 C ATOM 1401 CG LYS A 111 75.463 1.662 14.010 1.00 0.00 C ATOM 1402 CD LYS A 111 75.385 2.790 15.038 1.00 0.00 C ATOM 1403 CE LYS A 111 75.572 2.269 16.462 1.00 0.00 C ATOM 1404 NZ LYS A 111 74.318 2.389 17.176 1.00 0.00 N ATOM 0 H LYS A 111 78.263 1.262 11.350 1.00 0.00 H new ATOM 0 HA LYS A 111 75.519 2.194 11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 111 77.123 0.681 13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 111 77.523 2.235 13.759 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.612 1.733 13.332 1.00 0.00 H new ATOM 0 HG3 LYS A 111 75.384 0.703 14.521 1.00 0.00 H new ATOM 0 HD2 LYS A 111 76.150 3.535 14.820 1.00 0.00 H new ATOM 0 HD3 LYS A 111 74.420 3.290 14.957 1.00 0.00 H new ATOM 0 HE2 LYS A 111 75.896 1.229 16.443 1.00 0.00 H new ATOM 0 HE3 LYS A 111 76.351 2.836 16.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 74.505 2.452 18.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 73.820 3.246 16.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 73.727 1.555 16.983 1.00 0.00 H new ATOM 1418 N ARG A 112 75.790 4.631 12.480 1.00 0.00 N ATOM 1419 CA ARG A 112 75.783 6.102 12.579 1.00 0.00 C ATOM 1420 C ARG A 112 76.916 6.653 13.474 1.00 0.00 C ATOM 1421 O ARG A 112 76.700 7.241 14.524 1.00 0.00 O ATOM 1422 CB ARG A 112 74.409 6.576 13.093 1.00 0.00 C ATOM 1423 CG ARG A 112 73.933 7.877 12.429 1.00 0.00 C ATOM 1424 CD ARG A 112 74.429 9.138 13.144 1.00 0.00 C ATOM 1425 NE ARG A 112 73.415 9.597 14.081 1.00 0.00 N ATOM 1426 CZ ARG A 112 72.651 10.647 13.736 1.00 0.00 C ATOM 1427 NH1 ARG A 112 71.573 10.478 12.973 1.00 0.00 N ATOM 1428 NH2 ARG A 112 73.002 11.860 14.145 1.00 0.00 N ATOM 0 H ARG A 112 74.938 4.215 12.855 1.00 0.00 H new ATOM 0 HA ARG A 112 75.964 6.497 11.579 1.00 0.00 H new ATOM 0 HB2 ARG A 112 73.671 5.793 12.915 1.00 0.00 H new ATOM 0 HB3 ARG A 112 74.463 6.724 14.172 1.00 0.00 H new ATOM 0 HG2 ARG A 112 74.276 7.895 11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 112 72.843 7.887 12.404 1.00 0.00 H new ATOM 0 HD2 ARG A 112 75.359 8.927 13.673 1.00 0.00 H new ATOM 0 HD3 ARG A 112 74.647 9.920 12.416 1.00 0.00 H new ATOM 0 HE ARG A 112 73.287 9.132 14.980 1.00 0.00 H new ATOM 0 HH11 ARG A 112 71.321 9.545 12.645 1.00 0.00 H new ATOM 0 HH12 ARG A 112 70.999 11.281 12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 112 73.841 11.984 14.712 1.00 0.00 H new ATOM 0 HH22 ARG A 112 72.433 12.668 13.892 1.00 0.00 H new