USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 558 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 67 CYS SG : rot 110:sc= 0.829 USER MOD Set 1.2: A 70 CYS SG : rot -33:sc= -3.33! USER MOD Set 1.3: A 83 HIS : no HD1:sc= -2.6! X(o=-5.1!,f=-5.5) USER MOD Set 1.4: A 87 HIS : no HE2:sc= 0 K(o=-5.1,f=-5.8) USER MOD Set 2.1: A 39 CYS SG : rot -146:sc= 0.0441 USER MOD Set 2.2: A 42 CYS SG : rot -165:sc= 0.713 USER MOD Set 2.3: A 55 HIS : no HD1:sc= 0.351 K(o=0.31,f=-5.4!) USER MOD Set 2.4: A 59 HIS :FLIP no HD1:sc= -0.801 F(o=-0.49,f=0.31) USER MOD Set 3.1: A 11 CYS SG : rot -172:sc= -2.22 USER MOD Set 3.2: A 14 CYS SG : rot -108:sc= -0.794 USER MOD Set 3.3: A 27 HIS : no HE2:sc= -3.01 K(o=-13,f=-15) USER MOD Set 3.4: A 28 MET CE :methyl -147:sc= -0.665 (180deg=0) USER MOD Set 3.5: A 31 HIS : no HE2:sc= -6.78! C(o=-13!,f=-15!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc=-0.00991 (180deg=-0.232) USER MOD Single : A 17 CYS SG : rot 180:sc= 0.084 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -116:sc= -0.0879 (180deg=-1.35!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0584 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0268 K(o=-0.027,f=-1.3) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 122:sc= 0.972 USER MOD Single : A 76 ASN : amide:sc= -0.245 K(o=-0.24,f=-9.9!) USER MOD Single : A 77 SER OG : rot -18:sc= 0.817 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.078) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 26.136 -9.318 -4.279 1.00 0.00 N ATOM 81 CA HIS A 9 24.878 -9.826 -3.743 1.00 0.00 C ATOM 82 C HIS A 9 23.846 -10.003 -4.853 1.00 0.00 C ATOM 83 O HIS A 9 23.414 -9.032 -5.475 1.00 0.00 O ATOM 84 CB HIS A 9 24.335 -8.878 -2.673 1.00 0.00 C ATOM 85 CG HIS A 9 25.384 -8.372 -1.732 1.00 0.00 C ATOM 86 ND1 HIS A 9 26.339 -9.187 -1.162 1.00 0.00 N ATOM 87 CD2 HIS A 9 25.627 -7.126 -1.264 1.00 0.00 C ATOM 88 CE1 HIS A 9 27.123 -8.464 -0.382 1.00 0.00 C ATOM 89 NE2 HIS A 9 26.713 -7.210 -0.427 1.00 0.00 N ATOM 0 HA HIS A 9 25.071 -10.799 -3.292 1.00 0.00 H new ATOM 0 HB2 HIS A 9 23.856 -8.029 -3.161 1.00 0.00 H new ATOM 0 HB3 HIS A 9 23.564 -9.393 -2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 9 25.071 -6.232 -1.504 1.00 0.00 H new ATOM 0 HE1 HIS A 9 27.957 -8.836 0.194 1.00 0.00 H new ATOM 0 HE2 HIS A 9 27.134 -6.430 0.078 1.00 0.00 H new ATOM 97 N LYS A 10 23.456 -11.249 -5.098 1.00 0.00 N ATOM 98 CA LYS A 10 22.476 -11.555 -6.133 1.00 0.00 C ATOM 99 C LYS A 10 21.368 -12.450 -5.586 1.00 0.00 C ATOM 100 O LYS A 10 21.564 -13.168 -4.605 1.00 0.00 O ATOM 101 CB LYS A 10 23.155 -12.236 -7.323 1.00 0.00 C ATOM 102 CG LYS A 10 24.256 -11.402 -7.954 1.00 0.00 C ATOM 103 CD LYS A 10 25.628 -11.817 -7.451 1.00 0.00 C ATOM 104 CE LYS A 10 26.069 -13.139 -8.059 1.00 0.00 C ATOM 105 NZ LYS A 10 27.103 -13.815 -7.228 1.00 0.00 N ATOM 0 H LYS A 10 23.804 -12.064 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 10 22.031 -10.617 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.574 -13.188 -6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 10 22.403 -12.462 -8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.218 -11.508 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.089 -10.348 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.355 -11.043 -7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.607 -11.904 -6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 10 25.205 -13.795 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.465 -12.964 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.377 -14.712 -7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.938 -13.200 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 26.718 -14.005 -6.281 1.00 0.00 H new ATOM 119 N CYS A 11 20.205 -12.404 -6.227 1.00 0.00 N ATOM 120 CA CYS A 11 19.067 -13.211 -5.806 1.00 0.00 C ATOM 121 C CYS A 11 19.497 -14.644 -5.504 1.00 0.00 C ATOM 122 O CYS A 11 20.639 -15.026 -5.760 1.00 0.00 O ATOM 123 CB CYS A 11 17.985 -13.209 -6.888 1.00 0.00 C ATOM 124 SG CYS A 11 16.289 -13.377 -6.244 1.00 0.00 S ATOM 0 H CYS A 11 20.026 -11.816 -7.041 1.00 0.00 H new ATOM 0 HA CYS A 11 18.661 -12.773 -4.894 1.00 0.00 H new ATOM 0 HB2 CYS A 11 18.056 -12.282 -7.456 1.00 0.00 H new ATOM 0 HB3 CYS A 11 18.180 -14.025 -7.584 1.00 0.00 H new ATOM 0 HG CYS A 11 15.462 -13.530 -7.235 1.00 0.00 H new ATOM 129 N GLU A 12 18.575 -15.431 -4.960 1.00 0.00 N ATOM 130 CA GLU A 12 18.860 -16.821 -4.623 1.00 0.00 C ATOM 131 C GLU A 12 18.010 -17.769 -5.465 1.00 0.00 C ATOM 132 O GLU A 12 18.082 -18.988 -5.309 1.00 0.00 O ATOM 133 CB GLU A 12 18.602 -17.072 -3.136 1.00 0.00 C ATOM 134 CG GLU A 12 19.131 -18.409 -2.644 1.00 0.00 C ATOM 135 CD GLU A 12 20.610 -18.591 -2.926 1.00 0.00 C ATOM 136 OE1 GLU A 12 20.952 -19.025 -4.045 1.00 0.00 O ATOM 137 OE2 GLU A 12 21.425 -18.298 -2.026 1.00 0.00 O ATOM 0 H GLU A 12 17.625 -15.130 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 12 19.911 -17.013 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 12 19.063 -16.273 -2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.529 -17.024 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 12 18.957 -18.492 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 12 18.572 -19.214 -3.121 1.00 0.00 H new ATOM 144 N VAL A 13 17.206 -17.200 -6.357 1.00 0.00 N ATOM 145 CA VAL A 13 16.343 -17.993 -7.224 1.00 0.00 C ATOM 146 C VAL A 13 16.625 -17.703 -8.694 1.00 0.00 C ATOM 147 O VAL A 13 16.561 -18.597 -9.538 1.00 0.00 O ATOM 148 CB VAL A 13 14.855 -17.723 -6.935 1.00 0.00 C ATOM 149 CG1 VAL A 13 14.463 -18.291 -5.580 1.00 0.00 C ATOM 150 CG2 VAL A 13 14.563 -16.231 -7.001 1.00 0.00 C ATOM 0 H VAL A 13 17.134 -16.192 -6.498 1.00 0.00 H new ATOM 0 HA VAL A 13 16.561 -19.040 -7.015 1.00 0.00 H new ATOM 0 HB VAL A 13 14.258 -18.222 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.408 -18.091 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.635 -19.367 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 13 15.065 -17.823 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.507 -16.057 -6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.168 -15.709 -6.260 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.804 -15.857 -7.996 1.00 0.00 H new ATOM 160 N CYS A 14 16.937 -16.447 -8.994 1.00 0.00 N ATOM 161 CA CYS A 14 17.229 -16.037 -10.363 1.00 0.00 C ATOM 162 C CYS A 14 18.575 -15.323 -10.441 1.00 0.00 C ATOM 163 O CYS A 14 18.876 -14.649 -11.425 1.00 0.00 O ATOM 164 CB CYS A 14 16.122 -15.121 -10.890 1.00 0.00 C ATOM 165 SG CYS A 14 16.104 -13.465 -10.131 1.00 0.00 S ATOM 0 H CYS A 14 16.994 -15.695 -8.307 1.00 0.00 H new ATOM 0 HA CYS A 14 17.276 -16.933 -10.982 1.00 0.00 H new ATOM 0 HB2 CYS A 14 16.237 -15.013 -11.969 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.157 -15.598 -10.718 1.00 0.00 H new ATOM 0 HG CYS A 14 15.083 -13.365 -9.332 1.00 0.00 H new ATOM 170 N GLY A 15 19.383 -15.478 -9.396 1.00 0.00 N ATOM 171 CA GLY A 15 20.688 -14.844 -9.366 1.00 0.00 C ATOM 172 C GLY A 15 20.702 -13.514 -10.093 1.00 0.00 C ATOM 173 O GLY A 15 21.331 -13.377 -11.143 1.00 0.00 O ATOM 0 H GLY A 15 19.157 -16.032 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 15 20.991 -14.692 -8.330 1.00 0.00 H new ATOM 0 HA3 GLY A 15 21.423 -15.510 -9.819 1.00 0.00 H new ATOM 177 N LYS A 16 20.005 -12.529 -9.536 1.00 0.00 N ATOM 178 CA LYS A 16 19.939 -11.202 -10.137 1.00 0.00 C ATOM 179 C LYS A 16 20.740 -10.194 -9.319 1.00 0.00 C ATOM 180 O LYS A 16 20.656 -10.170 -8.091 1.00 0.00 O ATOM 181 CB LYS A 16 18.484 -10.743 -10.249 1.00 0.00 C ATOM 182 CG LYS A 16 18.277 -9.616 -11.246 1.00 0.00 C ATOM 183 CD LYS A 16 16.803 -9.296 -11.428 1.00 0.00 C ATOM 184 CE LYS A 16 16.579 -8.341 -12.591 1.00 0.00 C ATOM 185 NZ LYS A 16 16.882 -8.982 -13.901 1.00 0.00 N ATOM 0 H LYS A 16 19.477 -12.625 -8.668 1.00 0.00 H new ATOM 0 HA LYS A 16 20.373 -11.260 -11.135 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.865 -11.592 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.138 -10.417 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.804 -8.725 -10.904 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.711 -9.894 -12.206 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.248 -10.218 -11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.410 -8.854 -10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.544 -7.998 -12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.208 -7.460 -12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.470 -8.414 -14.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.912 -9.041 -14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.476 -9.939 -13.921 1.00 0.00 H new ATOM 199 N CYS A 17 21.514 -9.363 -10.008 1.00 0.00 N ATOM 200 CA CYS A 17 22.330 -8.351 -9.345 1.00 0.00 C ATOM 201 C CYS A 17 21.479 -7.158 -8.923 1.00 0.00 C ATOM 202 O CYS A 17 20.443 -6.877 -9.525 1.00 0.00 O ATOM 203 CB CYS A 17 23.457 -7.889 -10.270 1.00 0.00 C ATOM 204 SG CYS A 17 22.893 -7.309 -11.887 1.00 0.00 S ATOM 0 H CYS A 17 21.594 -9.370 -11.025 1.00 0.00 H new ATOM 0 HA CYS A 17 22.765 -8.798 -8.451 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.009 -7.087 -9.780 1.00 0.00 H new ATOM 0 HB3 CYS A 17 24.155 -8.714 -10.415 1.00 0.00 H new ATOM 0 HG CYS A 17 23.917 -6.938 -12.596 1.00 0.00 H new ATOM 210 N PHE A 18 21.924 -6.459 -7.884 1.00 0.00 N ATOM 211 CA PHE A 18 21.202 -5.297 -7.379 1.00 0.00 C ATOM 212 C PHE A 18 22.170 -4.246 -6.842 1.00 0.00 C ATOM 213 O PHE A 18 23.347 -4.528 -6.618 1.00 0.00 O ATOM 214 CB PHE A 18 20.224 -5.716 -6.278 1.00 0.00 C ATOM 215 CG PHE A 18 19.082 -6.553 -6.778 1.00 0.00 C ATOM 216 CD1 PHE A 18 17.954 -5.958 -7.320 1.00 0.00 C ATOM 217 CD2 PHE A 18 19.136 -7.936 -6.706 1.00 0.00 C ATOM 218 CE1 PHE A 18 16.902 -6.726 -7.780 1.00 0.00 C ATOM 219 CE2 PHE A 18 18.087 -8.710 -7.165 1.00 0.00 C ATOM 220 CZ PHE A 18 16.968 -8.104 -7.703 1.00 0.00 C ATOM 0 H PHE A 18 22.781 -6.677 -7.375 1.00 0.00 H new ATOM 0 HA PHE A 18 20.642 -4.861 -8.206 1.00 0.00 H new ATOM 0 HB2 PHE A 18 20.766 -6.274 -5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 18 19.826 -4.822 -5.797 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.897 -4.881 -7.384 1.00 0.00 H new ATOM 0 HD2 PHE A 18 20.008 -8.415 -6.286 1.00 0.00 H new ATOM 0 HE1 PHE A 18 16.028 -6.250 -8.200 1.00 0.00 H new ATOM 0 HE2 PHE A 18 18.142 -9.787 -7.103 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.147 -8.706 -8.063 1.00 0.00 H new ATOM 230 N SER A 19 21.664 -3.034 -6.640 1.00 0.00 N ATOM 231 CA SER A 19 22.484 -1.939 -6.134 1.00 0.00 C ATOM 232 C SER A 19 22.610 -2.011 -4.615 1.00 0.00 C ATOM 233 O SER A 19 23.706 -1.896 -4.066 1.00 0.00 O ATOM 234 CB SER A 19 21.884 -0.593 -6.544 1.00 0.00 C ATOM 235 OG SER A 19 21.898 -0.435 -7.952 1.00 0.00 O ATOM 0 H SER A 19 20.691 -2.785 -6.819 1.00 0.00 H new ATOM 0 HA SER A 19 23.479 -2.033 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 19 20.860 -0.521 -6.177 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.447 0.216 -6.079 1.00 0.00 H new ATOM 0 HG SER A 19 21.508 0.432 -8.188 1.00 0.00 H new ATOM 241 N ARG A 20 21.480 -2.203 -3.943 1.00 0.00 N ATOM 242 CA ARG A 20 21.462 -2.290 -2.487 1.00 0.00 C ATOM 243 C ARG A 20 20.656 -3.500 -2.025 1.00 0.00 C ATOM 244 O ARG A 20 19.866 -4.060 -2.784 1.00 0.00 O ATOM 245 CB ARG A 20 20.875 -1.012 -1.886 1.00 0.00 C ATOM 246 CG ARG A 20 19.437 -0.747 -2.304 1.00 0.00 C ATOM 247 CD ARG A 20 19.057 0.711 -2.101 1.00 0.00 C ATOM 248 NE ARG A 20 19.246 1.138 -0.717 1.00 0.00 N ATOM 249 CZ ARG A 20 19.238 2.410 -0.332 1.00 0.00 C ATOM 250 NH1 ARG A 20 19.050 3.374 -1.223 1.00 0.00 N ATOM 251 NH2 ARG A 20 19.417 2.719 0.945 1.00 0.00 N ATOM 0 H ARG A 20 20.565 -2.301 -4.383 1.00 0.00 H new ATOM 0 HA ARG A 20 22.489 -2.407 -2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 20 20.922 -1.077 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.493 -0.164 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.306 -1.015 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.766 -1.383 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 20 19.659 1.338 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.015 0.857 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 20 19.392 0.420 -0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.911 3.140 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.044 4.350 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 20 19.561 1.980 1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 20 19.411 3.696 1.239 1.00 0.00 H new ATOM 265 N LYS A 21 20.862 -3.898 -0.774 1.00 0.00 N ATOM 266 CA LYS A 21 20.155 -5.041 -0.208 1.00 0.00 C ATOM 267 C LYS A 21 18.663 -4.750 -0.083 1.00 0.00 C ATOM 268 O LYS A 21 17.832 -5.646 -0.231 1.00 0.00 O ATOM 269 CB LYS A 21 20.733 -5.395 1.164 1.00 0.00 C ATOM 270 CG LYS A 21 20.543 -4.305 2.204 1.00 0.00 C ATOM 271 CD LYS A 21 21.477 -4.495 3.388 1.00 0.00 C ATOM 272 CE LYS A 21 21.655 -3.202 4.170 1.00 0.00 C ATOM 273 NZ LYS A 21 22.219 -3.448 5.526 1.00 0.00 N ATOM 0 H LYS A 21 21.513 -3.446 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 21 20.287 -5.888 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 21 20.264 -6.312 1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.798 -5.602 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.724 -3.331 1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.510 -4.308 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.080 -5.268 4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 21 22.447 -4.845 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.314 -2.532 3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.693 -2.698 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 22.325 -2.543 6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 21.578 -4.067 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.149 -3.906 5.438 1.00 0.00 H new ATOM 287 N ASP A 22 18.331 -3.492 0.187 1.00 0.00 N ATOM 288 CA ASP A 22 16.938 -3.083 0.329 1.00 0.00 C ATOM 289 C ASP A 22 16.147 -3.403 -0.935 1.00 0.00 C ATOM 290 O ASP A 22 14.995 -3.832 -0.868 1.00 0.00 O ATOM 291 CB ASP A 22 16.853 -1.587 0.635 1.00 0.00 C ATOM 292 CG ASP A 22 16.881 -1.298 2.123 1.00 0.00 C ATOM 293 OD1 ASP A 22 15.812 -1.384 2.764 1.00 0.00 O ATOM 294 OD2 ASP A 22 17.971 -0.985 2.646 1.00 0.00 O ATOM 0 H ASP A 22 19.007 -2.738 0.312 1.00 0.00 H new ATOM 0 HA ASP A 22 16.503 -3.641 1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.684 -1.073 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.936 -1.183 0.207 1.00 0.00 H new ATOM 299 N LYS A 23 16.772 -3.189 -2.088 1.00 0.00 N ATOM 300 CA LYS A 23 16.127 -3.454 -3.369 1.00 0.00 C ATOM 301 C LYS A 23 15.724 -4.921 -3.482 1.00 0.00 C ATOM 302 O LYS A 23 14.562 -5.237 -3.743 1.00 0.00 O ATOM 303 CB LYS A 23 17.063 -3.081 -4.521 1.00 0.00 C ATOM 304 CG LYS A 23 17.002 -1.613 -4.903 1.00 0.00 C ATOM 305 CD LYS A 23 15.944 -1.356 -5.962 1.00 0.00 C ATOM 306 CE LYS A 23 15.513 0.103 -5.977 1.00 0.00 C ATOM 307 NZ LYS A 23 14.111 0.263 -6.451 1.00 0.00 N ATOM 0 H LYS A 23 17.725 -2.833 -2.162 1.00 0.00 H new ATOM 0 HA LYS A 23 15.227 -2.843 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 23 18.086 -3.333 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.812 -3.685 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.785 -1.015 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.975 -1.292 -5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.334 -1.631 -6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.078 -1.990 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.607 0.520 -4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.182 0.672 -6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.856 1.271 -6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.027 -0.111 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.470 -0.259 -5.820 1.00 0.00 H new ATOM 321 N LEU A 24 16.688 -5.812 -3.283 1.00 0.00 N ATOM 322 CA LEU A 24 16.433 -7.246 -3.361 1.00 0.00 C ATOM 323 C LEU A 24 15.322 -7.655 -2.400 1.00 0.00 C ATOM 324 O LEU A 24 14.457 -8.463 -2.740 1.00 0.00 O ATOM 325 CB LEU A 24 17.709 -8.029 -3.046 1.00 0.00 C ATOM 326 CG LEU A 24 17.532 -9.527 -2.794 1.00 0.00 C ATOM 327 CD1 LEU A 24 17.675 -10.307 -4.091 1.00 0.00 C ATOM 328 CD2 LEU A 24 18.537 -10.016 -1.761 1.00 0.00 C ATOM 0 H LEU A 24 17.654 -5.567 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 24 16.113 -7.478 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 24 18.405 -7.900 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.176 -7.586 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 24 16.528 -9.694 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.546 -11.371 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.916 -9.976 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.665 -10.134 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.397 -11.084 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.549 -9.835 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.386 -9.479 -0.824 1.00 0.00 H new ATOM 340 N LYS A 25 15.349 -7.089 -1.198 1.00 0.00 N ATOM 341 CA LYS A 25 14.342 -7.390 -0.187 1.00 0.00 C ATOM 342 C LYS A 25 12.949 -7.442 -0.805 1.00 0.00 C ATOM 343 O LYS A 25 12.194 -8.389 -0.584 1.00 0.00 O ATOM 344 CB LYS A 25 14.379 -6.342 0.927 1.00 0.00 C ATOM 345 CG LYS A 25 13.754 -6.816 2.229 1.00 0.00 C ATOM 346 CD LYS A 25 13.688 -5.697 3.254 1.00 0.00 C ATOM 347 CE LYS A 25 13.462 -6.240 4.657 1.00 0.00 C ATOM 348 NZ LYS A 25 12.039 -6.615 4.885 1.00 0.00 N ATOM 0 H LYS A 25 16.058 -6.419 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 25 14.569 -8.369 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.415 -6.058 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.859 -5.446 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.750 -7.194 2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.335 -7.646 2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.615 -5.124 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.882 -5.011 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.097 -7.112 4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.762 -5.490 5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.927 -6.980 5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.435 -5.778 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.760 -7.349 4.203 1.00 0.00 H new ATOM 362 N THR A 26 12.613 -6.418 -1.584 1.00 0.00 N ATOM 363 CA THR A 26 11.311 -6.347 -2.234 1.00 0.00 C ATOM 364 C THR A 26 11.274 -7.215 -3.487 1.00 0.00 C ATOM 365 O THR A 26 10.250 -7.821 -3.804 1.00 0.00 O ATOM 366 CB THR A 26 10.952 -4.898 -2.617 1.00 0.00 C ATOM 367 OG1 THR A 26 10.918 -4.076 -1.445 1.00 0.00 O ATOM 368 CG2 THR A 26 9.605 -4.842 -3.321 1.00 0.00 C ATOM 0 H THR A 26 13.226 -5.626 -1.780 1.00 0.00 H new ATOM 0 HA THR A 26 10.579 -6.718 -1.516 1.00 0.00 H new ATOM 0 HB THR A 26 11.716 -4.526 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.691 -3.157 -1.697 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.373 -3.809 -3.581 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.643 -5.445 -4.228 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.832 -5.231 -2.659 1.00 0.00 H new ATOM 376 N HIS A 27 12.397 -7.272 -4.195 1.00 0.00 N ATOM 377 CA HIS A 27 12.493 -8.069 -5.413 1.00 0.00 C ATOM 378 C HIS A 27 11.813 -9.423 -5.232 1.00 0.00 C ATOM 379 O HIS A 27 11.073 -9.878 -6.103 1.00 0.00 O ATOM 380 CB HIS A 27 13.958 -8.269 -5.803 1.00 0.00 C ATOM 381 CG HIS A 27 14.159 -9.304 -6.867 1.00 0.00 C ATOM 382 ND1 HIS A 27 13.495 -9.279 -8.075 1.00 0.00 N ATOM 383 CD2 HIS A 27 14.957 -10.396 -6.900 1.00 0.00 C ATOM 384 CE1 HIS A 27 13.874 -10.313 -8.805 1.00 0.00 C ATOM 385 NE2 HIS A 27 14.761 -11.007 -8.114 1.00 0.00 N ATOM 0 H HIS A 27 13.253 -6.776 -3.947 1.00 0.00 H new ATOM 0 HA HIS A 27 11.983 -7.530 -6.211 1.00 0.00 H new ATOM 0 HB2 HIS A 27 14.366 -7.320 -6.150 1.00 0.00 H new ATOM 0 HB3 HIS A 27 14.525 -8.555 -4.917 1.00 0.00 H new ATOM 0 HD1 HIS A 27 12.817 -8.573 -8.361 1.00 0.00 H new ATOM 0 HD2 HIS A 27 15.624 -10.726 -6.117 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.519 -10.550 -9.797 1.00 0.00 H new ATOM 393 N MET A 28 12.071 -10.062 -4.095 1.00 0.00 N ATOM 394 CA MET A 28 11.483 -11.363 -3.800 1.00 0.00 C ATOM 395 C MET A 28 10.003 -11.387 -4.167 1.00 0.00 C ATOM 396 O MET A 28 9.499 -12.383 -4.686 1.00 0.00 O ATOM 397 CB MET A 28 11.659 -11.702 -2.319 1.00 0.00 C ATOM 398 CG MET A 28 13.093 -12.029 -1.936 1.00 0.00 C ATOM 399 SD MET A 28 13.473 -13.784 -2.099 1.00 0.00 S ATOM 400 CE MET A 28 14.784 -13.734 -3.319 1.00 0.00 C ATOM 0 H MET A 28 12.683 -9.700 -3.364 1.00 0.00 H new ATOM 0 HA MET A 28 12.000 -12.112 -4.400 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.314 -10.860 -1.719 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.023 -12.552 -2.071 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.773 -11.454 -2.565 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.270 -11.717 -0.907 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.735 -14.627 -3.943 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.667 -12.848 -3.943 1.00 0.00 H new ATOM 0 HE3 MET A 28 15.749 -13.697 -2.814 1.00 0.00 H new ATOM 410 N ARG A 29 9.313 -10.285 -3.895 1.00 0.00 N ATOM 411 CA ARG A 29 7.890 -10.181 -4.195 1.00 0.00 C ATOM 412 C ARG A 29 7.543 -10.959 -5.461 1.00 0.00 C ATOM 413 O ARG A 29 6.648 -11.805 -5.456 1.00 0.00 O ATOM 414 CB ARG A 29 7.487 -8.714 -4.359 1.00 0.00 C ATOM 415 CG ARG A 29 7.105 -8.038 -3.053 1.00 0.00 C ATOM 416 CD ARG A 29 6.483 -6.671 -3.294 1.00 0.00 C ATOM 417 NE ARG A 29 5.142 -6.773 -3.863 1.00 0.00 N ATOM 418 CZ ARG A 29 4.050 -6.986 -3.138 1.00 0.00 C ATOM 419 NH1 ARG A 29 4.141 -7.120 -1.821 1.00 0.00 N ATOM 420 NH2 ARG A 29 2.865 -7.066 -3.728 1.00 0.00 N ATOM 0 H ARG A 29 9.716 -9.451 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 29 7.336 -10.612 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.314 -8.167 -4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.646 -8.652 -5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.402 -8.668 -2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.990 -7.931 -2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.437 -6.123 -2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.120 -6.096 -3.967 1.00 0.00 H new ATOM 0 HE ARG A 29 5.038 -6.675 -4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.051 -7.059 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.301 -7.284 -1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.791 -6.964 -4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.027 -7.230 -3.170 1.00 0.00 H new ATOM 434 N CYS A 30 8.257 -10.668 -6.543 1.00 0.00 N ATOM 435 CA CYS A 30 8.024 -11.339 -7.816 1.00 0.00 C ATOM 436 C CYS A 30 7.868 -12.843 -7.618 1.00 0.00 C ATOM 437 O CYS A 30 6.766 -13.383 -7.724 1.00 0.00 O ATOM 438 CB CYS A 30 9.175 -11.057 -8.783 1.00 0.00 C ATOM 439 SG CYS A 30 9.130 -9.408 -9.523 1.00 0.00 S ATOM 0 H CYS A 30 9.002 -9.972 -6.564 1.00 0.00 H new ATOM 0 HA CYS A 30 7.099 -10.949 -8.240 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.119 -11.180 -8.253 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.157 -11.801 -9.579 1.00 0.00 H new ATOM 0 HG CYS A 30 10.144 -9.264 -10.323 1.00 0.00 H new ATOM 445 N HIS A 31 8.978 -13.515 -7.329 1.00 0.00 N ATOM 446 CA HIS A 31 8.964 -14.958 -7.117 1.00 0.00 C ATOM 447 C HIS A 31 7.929 -15.343 -6.064 1.00 0.00 C ATOM 448 O HIS A 31 7.330 -14.479 -5.421 1.00 0.00 O ATOM 449 CB HIS A 31 10.349 -15.445 -6.688 1.00 0.00 C ATOM 450 CG HIS A 31 11.467 -14.842 -7.482 1.00 0.00 C ATOM 451 ND1 HIS A 31 11.504 -14.856 -8.861 1.00 0.00 N ATOM 452 CD2 HIS A 31 12.593 -14.205 -7.083 1.00 0.00 C ATOM 453 CE1 HIS A 31 12.605 -14.254 -9.275 1.00 0.00 C ATOM 454 NE2 HIS A 31 13.283 -13.849 -8.216 1.00 0.00 N ATOM 0 H HIS A 31 9.898 -13.084 -7.236 1.00 0.00 H new ATOM 0 HA HIS A 31 8.694 -15.436 -8.059 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.497 -15.213 -5.633 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.390 -16.530 -6.784 1.00 0.00 H new ATOM 0 HD1 HIS A 31 10.793 -15.267 -9.466 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.893 -14.013 -6.063 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.901 -14.116 -10.305 1.00 0.00 H new ATOM 535 N TYR A 37 -2.200 -22.191 0.995 1.00 0.00 N ATOM 536 CA TYR A 37 -3.595 -22.204 0.571 1.00 0.00 C ATOM 537 C TYR A 37 -3.702 -22.328 -0.945 1.00 0.00 C ATOM 538 O TYR A 37 -3.592 -21.339 -1.671 1.00 0.00 O ATOM 539 CB TYR A 37 -4.305 -20.934 1.042 1.00 0.00 C ATOM 540 CG TYR A 37 -4.355 -20.790 2.546 1.00 0.00 C ATOM 541 CD1 TYR A 37 -4.654 -21.877 3.358 1.00 0.00 C ATOM 542 CD2 TYR A 37 -4.104 -19.567 3.156 1.00 0.00 C ATOM 543 CE1 TYR A 37 -4.702 -21.751 4.733 1.00 0.00 C ATOM 544 CE2 TYR A 37 -4.147 -19.431 4.530 1.00 0.00 C ATOM 545 CZ TYR A 37 -4.447 -20.526 5.314 1.00 0.00 C ATOM 546 OH TYR A 37 -4.493 -20.395 6.683 1.00 0.00 O ATOM 0 HA TYR A 37 -4.078 -23.070 1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.798 -20.067 0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.323 -20.931 0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.852 -22.838 2.906 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.871 -18.707 2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.938 -22.606 5.349 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.947 -18.473 4.988 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.288 -19.469 6.930 1.00 0.00 H new ATOM 556 N LYS A 38 -3.919 -23.550 -1.419 1.00 0.00 N ATOM 557 CA LYS A 38 -4.044 -23.806 -2.849 1.00 0.00 C ATOM 558 C LYS A 38 -5.354 -24.522 -3.161 1.00 0.00 C ATOM 559 O LYS A 38 -5.740 -25.463 -2.467 1.00 0.00 O ATOM 560 CB LYS A 38 -2.863 -24.644 -3.343 1.00 0.00 C ATOM 561 CG LYS A 38 -1.559 -23.870 -3.422 1.00 0.00 C ATOM 562 CD LYS A 38 -0.432 -24.729 -3.971 1.00 0.00 C ATOM 563 CE LYS A 38 0.224 -25.555 -2.875 1.00 0.00 C ATOM 564 NZ LYS A 38 -0.481 -26.848 -2.657 1.00 0.00 N ATOM 0 H LYS A 38 -4.012 -24.380 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.042 -22.846 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.730 -25.497 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.099 -25.043 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.693 -22.994 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.290 -23.506 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.822 -25.392 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.315 -24.092 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.264 -25.748 -3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.232 -24.985 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.883 -26.867 -1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.246 -26.948 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.192 -27.633 -2.766 1.00 0.00 H new ATOM 578 N CYS A 39 -6.034 -24.072 -4.210 1.00 0.00 N ATOM 579 CA CYS A 39 -7.301 -24.669 -4.615 1.00 0.00 C ATOM 580 C CYS A 39 -7.117 -26.140 -4.977 1.00 0.00 C ATOM 581 O CYS A 39 -6.147 -26.513 -5.638 1.00 0.00 O ATOM 582 CB CYS A 39 -7.889 -23.910 -5.806 1.00 0.00 C ATOM 583 SG CYS A 39 -9.709 -23.930 -5.876 1.00 0.00 S ATOM 0 H CYS A 39 -5.728 -23.295 -4.796 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.991 -24.603 -3.774 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.549 -22.875 -5.767 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.496 -24.340 -6.727 1.00 0.00 H new ATOM 0 HG CYS A 39 -10.095 -23.938 -7.117 1.00 0.00 H new ATOM 588 N LYS A 40 -8.055 -26.973 -4.538 1.00 0.00 N ATOM 589 CA LYS A 40 -7.999 -28.403 -4.815 1.00 0.00 C ATOM 590 C LYS A 40 -8.096 -28.672 -6.313 1.00 0.00 C ATOM 591 O LYS A 40 -7.363 -29.500 -6.855 1.00 0.00 O ATOM 592 CB LYS A 40 -9.129 -29.130 -4.082 1.00 0.00 C ATOM 593 CG LYS A 40 -10.517 -28.710 -4.536 1.00 0.00 C ATOM 594 CD LYS A 40 -11.598 -29.538 -3.862 1.00 0.00 C ATOM 595 CE LYS A 40 -11.999 -28.946 -2.519 1.00 0.00 C ATOM 596 NZ LYS A 40 -13.204 -29.614 -1.956 1.00 0.00 N ATOM 0 H LYS A 40 -8.863 -26.682 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.040 -28.779 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.016 -30.204 -4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.034 -28.946 -3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.671 -27.655 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.595 -28.819 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.472 -29.595 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.240 -30.558 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.170 -29.042 -1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.196 -27.880 -2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.445 -29.182 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.002 -29.501 -2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.008 -30.626 -1.820 1.00 0.00 H new ATOM 610 N THR A 41 -9.003 -27.964 -6.979 1.00 0.00 N ATOM 611 CA THR A 41 -9.195 -28.126 -8.415 1.00 0.00 C ATOM 612 C THR A 41 -8.242 -27.233 -9.201 1.00 0.00 C ATOM 613 O THR A 41 -7.389 -27.719 -9.944 1.00 0.00 O ATOM 614 CB THR A 41 -10.643 -27.801 -8.828 1.00 0.00 C ATOM 615 OG1 THR A 41 -11.553 -28.676 -8.153 1.00 0.00 O ATOM 616 CG2 THR A 41 -10.820 -27.939 -10.333 1.00 0.00 C ATOM 0 H THR A 41 -9.616 -27.273 -6.547 1.00 0.00 H new ATOM 0 HA THR A 41 -8.984 -29.170 -8.646 1.00 0.00 H new ATOM 0 HB THR A 41 -10.855 -26.770 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.471 -28.462 -8.420 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.850 -27.705 -10.601 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.147 -27.250 -10.843 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.590 -28.961 -10.634 1.00 0.00 H new ATOM 624 N CYS A 42 -8.391 -25.923 -9.032 1.00 0.00 N ATOM 625 CA CYS A 42 -7.543 -24.961 -9.725 1.00 0.00 C ATOM 626 C CYS A 42 -6.106 -25.037 -9.217 1.00 0.00 C ATOM 627 O CYS A 42 -5.801 -25.797 -8.298 1.00 0.00 O ATOM 628 CB CYS A 42 -8.087 -23.543 -9.538 1.00 0.00 C ATOM 629 SG CYS A 42 -9.902 -23.425 -9.627 1.00 0.00 S ATOM 0 H CYS A 42 -9.092 -25.504 -8.421 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.548 -25.208 -10.787 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.756 -23.163 -8.572 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.654 -22.896 -10.300 1.00 0.00 H new ATOM 0 HG CYS A 42 -10.249 -22.181 -9.774 1.00 0.00 H new ATOM 634 N ASP A 43 -5.228 -24.245 -9.823 1.00 0.00 N ATOM 635 CA ASP A 43 -3.823 -24.221 -9.432 1.00 0.00 C ATOM 636 C ASP A 43 -3.398 -22.816 -9.016 1.00 0.00 C ATOM 637 O ASP A 43 -2.311 -22.356 -9.365 1.00 0.00 O ATOM 638 CB ASP A 43 -2.943 -24.713 -10.582 1.00 0.00 C ATOM 639 CG ASP A 43 -3.491 -25.968 -11.234 1.00 0.00 C ATOM 640 OD1 ASP A 43 -3.905 -26.887 -10.497 1.00 0.00 O ATOM 641 OD2 ASP A 43 -3.505 -26.031 -12.482 1.00 0.00 O ATOM 0 H ASP A 43 -5.464 -23.611 -10.587 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.698 -24.887 -8.578 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.856 -23.926 -11.331 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.938 -24.910 -10.208 1.00 0.00 H new ATOM 646 N TYR A 44 -4.263 -22.140 -8.269 1.00 0.00 N ATOM 647 CA TYR A 44 -3.980 -20.786 -7.808 1.00 0.00 C ATOM 648 C TYR A 44 -3.415 -20.800 -6.390 1.00 0.00 C ATOM 649 O TYR A 44 -3.754 -21.665 -5.584 1.00 0.00 O ATOM 650 CB TYR A 44 -5.248 -19.932 -7.855 1.00 0.00 C ATOM 651 CG TYR A 44 -5.163 -18.675 -7.019 1.00 0.00 C ATOM 652 CD1 TYR A 44 -4.319 -17.632 -7.381 1.00 0.00 C ATOM 653 CD2 TYR A 44 -5.928 -18.529 -5.869 1.00 0.00 C ATOM 654 CE1 TYR A 44 -4.238 -16.482 -6.620 1.00 0.00 C ATOM 655 CE2 TYR A 44 -5.855 -17.382 -5.103 1.00 0.00 C ATOM 656 CZ TYR A 44 -5.008 -16.361 -5.482 1.00 0.00 C ATOM 657 OH TYR A 44 -4.931 -15.217 -4.723 1.00 0.00 O ATOM 0 H TYR A 44 -5.166 -22.507 -7.970 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.234 -20.352 -8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.452 -19.657 -8.890 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.092 -20.530 -7.511 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.716 -17.722 -8.273 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.592 -19.326 -5.568 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.575 -15.682 -6.915 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.458 -17.285 -4.212 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.537 -15.291 -3.957 1.00 0.00 H new ATOM 667 N ALA A 45 -2.551 -19.834 -6.095 1.00 0.00 N ATOM 668 CA ALA A 45 -1.941 -19.732 -4.775 1.00 0.00 C ATOM 669 C ALA A 45 -2.381 -18.457 -4.064 1.00 0.00 C ATOM 670 O ALA A 45 -2.351 -17.371 -4.641 1.00 0.00 O ATOM 671 CB ALA A 45 -0.424 -19.778 -4.890 1.00 0.00 C ATOM 0 H ALA A 45 -2.258 -19.111 -6.752 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.276 -20.582 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.019 -19.701 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.122 -20.719 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.080 -18.947 -5.506 1.00 0.00 H new ATOM 677 N ALA A 46 -2.789 -18.598 -2.807 1.00 0.00 N ATOM 678 CA ALA A 46 -3.234 -17.457 -2.016 1.00 0.00 C ATOM 679 C ALA A 46 -2.236 -17.134 -0.909 1.00 0.00 C ATOM 680 O ALA A 46 -1.509 -18.009 -0.442 1.00 0.00 O ATOM 681 CB ALA A 46 -4.610 -17.727 -1.427 1.00 0.00 C ATOM 0 H ALA A 46 -2.821 -19.491 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.297 -16.592 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.929 -16.867 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.323 -17.901 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.565 -18.608 -0.786 1.00 0.00 H new ATOM 687 N ALA A 47 -2.208 -15.871 -0.495 1.00 0.00 N ATOM 688 CA ALA A 47 -1.300 -15.433 0.559 1.00 0.00 C ATOM 689 C ALA A 47 -1.932 -15.608 1.935 1.00 0.00 C ATOM 690 O ALA A 47 -1.346 -16.226 2.824 1.00 0.00 O ATOM 691 CB ALA A 47 -0.899 -13.982 0.340 1.00 0.00 C ATOM 0 H ALA A 47 -2.803 -15.134 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.406 -16.055 0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.221 -13.668 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.399 -13.884 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.789 -13.353 0.353 1.00 0.00 H new ATOM 697 N ASP A 48 -3.130 -15.059 2.105 1.00 0.00 N ATOM 698 CA ASP A 48 -3.842 -15.154 3.375 1.00 0.00 C ATOM 699 C ASP A 48 -5.130 -15.955 3.216 1.00 0.00 C ATOM 700 O ASP A 48 -5.676 -16.060 2.118 1.00 0.00 O ATOM 701 CB ASP A 48 -4.157 -13.758 3.913 1.00 0.00 C ATOM 702 CG ASP A 48 -3.019 -12.781 3.690 1.00 0.00 C ATOM 703 OD1 ASP A 48 -1.980 -12.916 4.369 1.00 0.00 O ATOM 704 OD2 ASP A 48 -3.169 -11.881 2.836 1.00 0.00 O ATOM 0 H ASP A 48 -3.629 -14.544 1.380 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.199 -15.672 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.057 -13.380 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.373 -13.823 4.980 1.00 0.00 H new ATOM 709 N SER A 49 -5.611 -16.518 4.320 1.00 0.00 N ATOM 710 CA SER A 49 -6.833 -17.313 4.303 1.00 0.00 C ATOM 711 C SER A 49 -7.932 -16.603 3.518 1.00 0.00 C ATOM 712 O SER A 49 -8.738 -17.241 2.841 1.00 0.00 O ATOM 713 CB SER A 49 -7.308 -17.589 5.731 1.00 0.00 C ATOM 714 OG SER A 49 -8.586 -18.200 5.734 1.00 0.00 O ATOM 0 H SER A 49 -5.173 -16.438 5.238 1.00 0.00 H new ATOM 0 HA SER A 49 -6.613 -18.261 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.591 -18.235 6.237 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.347 -16.655 6.292 1.00 0.00 H new ATOM 0 HG SER A 49 -8.866 -18.367 6.658 1.00 0.00 H new ATOM 720 N SER A 50 -7.958 -15.278 3.615 1.00 0.00 N ATOM 721 CA SER A 50 -8.960 -14.479 2.918 1.00 0.00 C ATOM 722 C SER A 50 -8.748 -14.539 1.408 1.00 0.00 C ATOM 723 O SER A 50 -9.694 -14.734 0.645 1.00 0.00 O ATOM 724 CB SER A 50 -8.907 -13.027 3.394 1.00 0.00 C ATOM 725 OG SER A 50 -7.651 -12.439 3.100 1.00 0.00 O ATOM 0 H SER A 50 -7.297 -14.734 4.170 1.00 0.00 H new ATOM 0 HA SER A 50 -9.942 -14.893 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.701 -12.455 2.914 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.089 -12.986 4.468 1.00 0.00 H new ATOM 0 HG SER A 50 -7.643 -11.510 3.413 1.00 0.00 H new ATOM 731 N SER A 51 -7.499 -14.370 0.985 1.00 0.00 N ATOM 732 CA SER A 51 -7.162 -14.400 -0.433 1.00 0.00 C ATOM 733 C SER A 51 -7.814 -15.596 -1.121 1.00 0.00 C ATOM 734 O SER A 51 -8.352 -15.476 -2.223 1.00 0.00 O ATOM 735 CB SER A 51 -5.644 -14.457 -0.617 1.00 0.00 C ATOM 736 OG SER A 51 -5.071 -13.165 -0.527 1.00 0.00 O ATOM 0 H SER A 51 -6.704 -14.211 1.604 1.00 0.00 H new ATOM 0 HA SER A 51 -7.543 -13.487 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.207 -15.106 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.408 -14.896 -1.586 1.00 0.00 H new ATOM 0 HG SER A 51 -4.100 -13.229 -0.646 1.00 0.00 H new ATOM 742 N LEU A 52 -7.762 -16.749 -0.464 1.00 0.00 N ATOM 743 CA LEU A 52 -8.347 -17.969 -1.010 1.00 0.00 C ATOM 744 C LEU A 52 -9.869 -17.931 -0.918 1.00 0.00 C ATOM 745 O LEU A 52 -10.567 -18.221 -1.889 1.00 0.00 O ATOM 746 CB LEU A 52 -7.810 -19.193 -0.268 1.00 0.00 C ATOM 747 CG LEU A 52 -8.107 -20.550 -0.907 1.00 0.00 C ATOM 748 CD1 LEU A 52 -7.319 -20.716 -2.198 1.00 0.00 C ATOM 749 CD2 LEU A 52 -7.789 -21.678 0.063 1.00 0.00 C ATOM 0 H LEU A 52 -7.321 -16.865 0.448 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.066 -18.038 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.729 -19.089 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.223 -19.191 0.741 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.170 -20.593 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.543 -21.687 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.596 -19.928 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.252 -20.652 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.007 -22.636 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.734 -21.638 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.398 -21.569 0.960 1.00 0.00 H new ATOM 761 N ASN A 53 -10.377 -17.569 0.256 1.00 0.00 N ATOM 762 CA ASN A 53 -11.817 -17.492 0.475 1.00 0.00 C ATOM 763 C ASN A 53 -12.515 -16.849 -0.720 1.00 0.00 C ATOM 764 O ASN A 53 -13.538 -17.343 -1.195 1.00 0.00 O ATOM 765 CB ASN A 53 -12.118 -16.694 1.745 1.00 0.00 C ATOM 766 CG ASN A 53 -12.081 -17.557 2.992 1.00 0.00 C ATOM 767 OD1 ASN A 53 -11.635 -18.704 2.953 1.00 0.00 O ATOM 768 ND2 ASN A 53 -12.552 -17.008 4.105 1.00 0.00 N ATOM 0 H ASN A 53 -9.813 -17.324 1.070 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.197 -18.507 0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.393 -15.886 1.844 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.101 -16.231 1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.554 -17.540 4.975 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.912 -16.054 4.090 1.00 0.00 H new ATOM 775 N LYS A 54 -11.955 -15.745 -1.202 1.00 0.00 N ATOM 776 CA LYS A 54 -12.521 -15.034 -2.342 1.00 0.00 C ATOM 777 C LYS A 54 -12.559 -15.929 -3.577 1.00 0.00 C ATOM 778 O LYS A 54 -13.552 -15.958 -4.304 1.00 0.00 O ATOM 779 CB LYS A 54 -11.706 -13.773 -2.639 1.00 0.00 C ATOM 780 CG LYS A 54 -12.530 -12.639 -3.224 1.00 0.00 C ATOM 781 CD LYS A 54 -12.837 -12.873 -4.693 1.00 0.00 C ATOM 782 CE LYS A 54 -14.189 -12.292 -5.080 1.00 0.00 C ATOM 783 NZ LYS A 54 -14.077 -10.875 -5.523 1.00 0.00 N ATOM 0 H LYS A 54 -11.109 -15.323 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.542 -14.749 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.234 -13.430 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.904 -14.024 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.462 -12.541 -2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.990 -11.699 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.057 -12.421 -5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.826 -13.943 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.625 -12.889 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.868 -12.354 -4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.019 -10.515 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.684 -10.300 -4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.449 -10.819 -6.350 1.00 0.00 H new ATOM 797 N HIS A 55 -11.473 -16.660 -3.806 1.00 0.00 N ATOM 798 CA HIS A 55 -11.384 -17.558 -4.952 1.00 0.00 C ATOM 799 C HIS A 55 -12.377 -18.709 -4.819 1.00 0.00 C ATOM 800 O HIS A 55 -12.870 -19.236 -5.817 1.00 0.00 O ATOM 801 CB HIS A 55 -9.963 -18.107 -5.087 1.00 0.00 C ATOM 802 CG HIS A 55 -9.798 -19.067 -6.225 1.00 0.00 C ATOM 803 ND1 HIS A 55 -9.419 -18.675 -7.491 1.00 0.00 N ATOM 804 CD2 HIS A 55 -9.960 -20.410 -6.282 1.00 0.00 C ATOM 805 CE1 HIS A 55 -9.357 -19.734 -8.278 1.00 0.00 C ATOM 806 NE2 HIS A 55 -9.681 -20.800 -7.568 1.00 0.00 N ATOM 0 H HIS A 55 -10.643 -16.648 -3.214 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.632 -16.990 -5.848 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.272 -17.275 -5.221 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -9.685 -18.606 -4.158 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.254 -21.055 -5.467 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.087 -19.729 -9.324 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.718 -21.757 -7.919 1.00 0.00 H new ATOM 814 N LEU A 56 -12.665 -19.094 -3.581 1.00 0.00 N ATOM 815 CA LEU A 56 -13.599 -20.183 -3.316 1.00 0.00 C ATOM 816 C LEU A 56 -15.018 -19.794 -3.718 1.00 0.00 C ATOM 817 O LEU A 56 -15.890 -20.650 -3.860 1.00 0.00 O ATOM 818 CB LEU A 56 -13.562 -20.565 -1.835 1.00 0.00 C ATOM 819 CG LEU A 56 -12.229 -21.101 -1.313 1.00 0.00 C ATOM 820 CD1 LEU A 56 -12.250 -21.199 0.204 1.00 0.00 C ATOM 821 CD2 LEU A 56 -11.920 -22.457 -1.933 1.00 0.00 C ATOM 0 H LEU A 56 -12.265 -18.668 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.295 -21.042 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.833 -19.688 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.329 -21.318 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.442 -20.404 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.293 -21.582 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.425 -20.211 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.048 -21.874 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.968 -22.824 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.710 -23.163 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.861 -22.357 -3.017 1.00 0.00 H new ATOM 833 N ARG A 57 -15.240 -18.496 -3.901 1.00 0.00 N ATOM 834 CA ARG A 57 -16.553 -17.993 -4.287 1.00 0.00 C ATOM 835 C ARG A 57 -16.919 -18.453 -5.695 1.00 0.00 C ATOM 836 O ARG A 57 -17.963 -19.070 -5.905 1.00 0.00 O ATOM 837 CB ARG A 57 -16.578 -16.465 -4.216 1.00 0.00 C ATOM 838 CG ARG A 57 -16.423 -15.919 -2.806 1.00 0.00 C ATOM 839 CD ARG A 57 -16.383 -14.398 -2.799 1.00 0.00 C ATOM 840 NE ARG A 57 -16.251 -13.861 -1.448 1.00 0.00 N ATOM 841 CZ ARG A 57 -17.256 -13.792 -0.583 1.00 0.00 C ATOM 842 NH1 ARG A 57 -18.461 -14.226 -0.926 1.00 0.00 N ATOM 843 NH2 ARG A 57 -17.057 -13.289 0.629 1.00 0.00 N ATOM 0 H ARG A 57 -14.528 -17.774 -3.788 1.00 0.00 H new ATOM 0 HA ARG A 57 -17.288 -18.395 -3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.778 -16.067 -4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -17.518 -16.105 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -17.251 -16.265 -2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -15.508 -16.310 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.548 -14.054 -3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -17.293 -14.009 -3.256 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.336 -13.520 -1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.618 -14.614 -1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -19.231 -14.172 -0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.131 -12.955 0.897 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.830 -13.237 1.293 1.00 0.00 H new ATOM 857 N ILE A 58 -16.052 -18.149 -6.656 1.00 0.00 N ATOM 858 CA ILE A 58 -16.284 -18.532 -8.043 1.00 0.00 C ATOM 859 C ILE A 58 -16.892 -19.927 -8.134 1.00 0.00 C ATOM 860 O ILE A 58 -17.752 -20.188 -8.975 1.00 0.00 O ATOM 861 CB ILE A 58 -14.980 -18.498 -8.862 1.00 0.00 C ATOM 862 CG1 ILE A 58 -14.273 -19.853 -8.793 1.00 0.00 C ATOM 863 CG2 ILE A 58 -14.066 -17.391 -8.357 1.00 0.00 C ATOM 864 CD1 ILE A 58 -12.919 -19.863 -9.466 1.00 0.00 C ATOM 0 H ILE A 58 -15.183 -17.639 -6.499 1.00 0.00 H new ATOM 0 HA ILE A 58 -16.983 -17.806 -8.458 1.00 0.00 H new ATOM 0 HB ILE A 58 -15.228 -18.291 -9.903 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -14.152 -20.138 -7.748 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.906 -20.608 -9.258 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.149 -17.380 -8.946 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.571 -16.430 -8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -13.823 -17.569 -7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -12.476 -20.855 -9.378 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.035 -19.609 -10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.269 -19.132 -8.986 1.00 0.00 H new ATOM 876 N HIS A 59 -16.440 -20.822 -7.260 1.00 0.00 N ATOM 877 CA HIS A 59 -16.941 -22.191 -7.240 1.00 0.00 C ATOM 878 C HIS A 59 -18.333 -22.251 -6.617 1.00 0.00 C ATOM 879 O HIS A 59 -18.500 -22.720 -5.491 1.00 0.00 O ATOM 880 CB HIS A 59 -15.983 -23.096 -6.464 1.00 0.00 C ATOM 881 CG HIS A 59 -14.592 -23.111 -7.019 1.00 0.00 C ATOM 882 ND1 HIS A 59 -13.487 -22.419 -6.657 1.00 0.00 N flip ATOM 883 CD2 HIS A 59 -14.213 -23.909 -8.077 1.00 0.00 C flip ATOM 884 CE1 HIS A 59 -12.470 -22.808 -7.494 1.00 0.00 C flip ATOM 885 NE2 HIS A 59 -12.934 -23.708 -8.341 1.00 0.00 N flip ATOM 0 H HIS A 59 -15.728 -20.623 -6.557 1.00 0.00 H new ATOM 0 HA HIS A 59 -17.007 -22.543 -8.270 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -15.947 -22.768 -5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -16.376 -24.113 -6.464 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.860 -24.592 -8.607 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.456 -22.438 -7.464 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.396 -24.170 -9.075 1.00 0.00 H new ATOM 955 N PRO A 64 -29.232 -21.053 -13.040 1.00 0.00 N ATOM 956 CA PRO A 64 -30.410 -21.225 -13.896 1.00 0.00 C ATOM 957 C PRO A 64 -31.271 -19.969 -13.957 1.00 0.00 C ATOM 958 O PRO A 64 -31.988 -19.742 -14.932 1.00 0.00 O ATOM 959 CB PRO A 64 -31.175 -22.366 -13.220 1.00 0.00 C ATOM 960 CG PRO A 64 -30.753 -22.311 -11.792 1.00 0.00 C ATOM 961 CD PRO A 64 -29.325 -21.841 -11.800 1.00 0.00 C ATOM 0 HA PRO A 64 -30.136 -21.431 -14.931 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -32.252 -22.234 -13.320 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -30.929 -23.328 -13.669 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -31.385 -21.628 -11.224 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -30.839 -23.291 -11.322 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -29.096 -21.237 -10.922 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -28.627 -22.678 -11.802 1.00 0.00 H new ATOM 969 N PHE A 65 -31.196 -19.154 -12.910 1.00 0.00 N ATOM 970 CA PHE A 65 -31.970 -17.919 -12.845 1.00 0.00 C ATOM 971 C PHE A 65 -31.091 -16.710 -13.152 1.00 0.00 C ATOM 972 O PHE A 65 -29.885 -16.725 -12.902 1.00 0.00 O ATOM 973 CB PHE A 65 -32.606 -17.764 -11.462 1.00 0.00 C ATOM 974 CG PHE A 65 -33.769 -18.685 -11.230 1.00 0.00 C ATOM 975 CD1 PHE A 65 -34.974 -18.478 -11.882 1.00 0.00 C ATOM 976 CD2 PHE A 65 -33.657 -19.759 -10.362 1.00 0.00 C ATOM 977 CE1 PHE A 65 -36.047 -19.324 -11.669 1.00 0.00 C ATOM 978 CE2 PHE A 65 -34.726 -20.608 -10.146 1.00 0.00 C ATOM 979 CZ PHE A 65 -35.922 -20.391 -10.801 1.00 0.00 C ATOM 0 H PHE A 65 -30.607 -19.326 -12.095 1.00 0.00 H new ATOM 0 HA PHE A 65 -32.758 -17.973 -13.596 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -31.849 -17.949 -10.700 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -32.939 -16.733 -11.337 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -35.076 -17.647 -12.564 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -32.723 -19.935 -9.848 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -36.982 -19.150 -12.181 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -34.626 -21.441 -9.465 1.00 0.00 H new ATOM 0 HZ PHE A 65 -36.758 -21.054 -10.635 1.00 0.00 H new ATOM 989 N LYS A 66 -31.704 -15.664 -13.696 1.00 0.00 N ATOM 990 CA LYS A 66 -30.980 -14.445 -14.037 1.00 0.00 C ATOM 991 C LYS A 66 -31.859 -13.216 -13.835 1.00 0.00 C ATOM 992 O LYS A 66 -33.087 -13.307 -13.860 1.00 0.00 O ATOM 993 CB LYS A 66 -30.494 -14.506 -15.487 1.00 0.00 C ATOM 994 CG LYS A 66 -29.647 -15.728 -15.794 1.00 0.00 C ATOM 995 CD LYS A 66 -30.500 -16.894 -16.266 1.00 0.00 C ATOM 996 CE LYS A 66 -29.669 -17.926 -17.013 1.00 0.00 C ATOM 997 NZ LYS A 66 -29.581 -17.619 -18.468 1.00 0.00 N ATOM 0 H LYS A 66 -32.701 -15.636 -13.910 1.00 0.00 H new ATOM 0 HA LYS A 66 -30.118 -14.366 -13.374 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -31.358 -14.497 -16.152 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -29.915 -13.609 -15.705 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -28.913 -15.480 -16.560 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -29.091 -16.020 -14.903 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -30.981 -17.364 -15.409 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -31.294 -16.526 -16.915 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -28.666 -17.961 -16.588 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -30.108 -18.914 -16.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -29.007 -18.345 -18.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -30.536 -17.610 -18.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -29.139 -16.687 -18.600 1.00 0.00 H new ATOM 1011 N CYS A 67 -31.224 -12.065 -13.637 1.00 0.00 N ATOM 1012 CA CYS A 67 -31.948 -10.817 -13.432 1.00 0.00 C ATOM 1013 C CYS A 67 -32.051 -10.028 -14.734 1.00 0.00 C ATOM 1014 O CYS A 67 -31.113 -9.999 -15.530 1.00 0.00 O ATOM 1015 CB CYS A 67 -31.253 -9.970 -12.364 1.00 0.00 C ATOM 1016 SG CYS A 67 -32.147 -8.443 -11.929 1.00 0.00 S ATOM 0 H CYS A 67 -30.209 -11.972 -13.614 1.00 0.00 H new ATOM 0 HA CYS A 67 -32.955 -11.061 -13.095 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.125 -10.572 -11.465 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -30.256 -9.707 -12.716 1.00 0.00 H new ATOM 0 HG CYS A 67 -32.632 -8.551 -10.728 1.00 0.00 H new ATOM 1021 N GLN A 68 -33.198 -9.390 -14.944 1.00 0.00 N ATOM 1022 CA GLN A 68 -33.425 -8.601 -16.149 1.00 0.00 C ATOM 1023 C GLN A 68 -32.602 -7.318 -16.122 1.00 0.00 C ATOM 1024 O GLN A 68 -31.688 -7.137 -16.928 1.00 0.00 O ATOM 1025 CB GLN A 68 -34.910 -8.267 -16.294 1.00 0.00 C ATOM 1026 CG GLN A 68 -35.753 -9.436 -16.776 1.00 0.00 C ATOM 1027 CD GLN A 68 -37.218 -9.075 -16.930 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -37.567 -8.149 -17.664 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -38.084 -9.805 -16.238 1.00 0.00 N ATOM 0 H GLN A 68 -33.985 -9.404 -14.295 1.00 0.00 H new ATOM 0 HA GLN A 68 -33.109 -9.195 -17.007 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -35.293 -7.926 -15.332 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -35.021 -7.438 -16.993 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -35.367 -9.787 -17.733 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -35.658 -10.262 -16.071 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -37.751 -10.563 -15.642 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -39.083 -9.608 -16.302 1.00 0.00 H new ATOM 1038 N ILE A 69 -32.932 -6.429 -15.191 1.00 0.00 N ATOM 1039 CA ILE A 69 -32.223 -5.162 -15.059 1.00 0.00 C ATOM 1040 C ILE A 69 -30.715 -5.362 -15.168 1.00 0.00 C ATOM 1041 O ILE A 69 -30.083 -4.899 -16.118 1.00 0.00 O ATOM 1042 CB ILE A 69 -32.543 -4.475 -13.719 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -34.047 -4.217 -13.599 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -31.766 -3.173 -13.592 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -34.548 -4.218 -12.172 1.00 0.00 C ATOM 0 H ILE A 69 -33.686 -6.563 -14.517 1.00 0.00 H new ATOM 0 HA ILE A 69 -32.562 -4.524 -15.875 1.00 0.00 H new ATOM 0 HB ILE A 69 -32.241 -5.137 -12.908 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -34.280 -3.256 -14.057 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -34.584 -4.978 -14.165 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -32.003 -2.699 -12.639 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -30.697 -3.381 -13.638 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -32.040 -2.504 -14.408 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -35.621 -4.029 -12.163 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -34.346 -5.187 -11.716 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -34.038 -3.438 -11.607 1.00 0.00 H new ATOM 1057 N CYS A 70 -30.144 -6.057 -14.189 1.00 0.00 N ATOM 1058 CA CYS A 70 -28.711 -6.321 -14.174 1.00 0.00 C ATOM 1059 C CYS A 70 -28.419 -7.765 -14.572 1.00 0.00 C ATOM 1060 O CYS A 70 -29.241 -8.663 -14.389 1.00 0.00 O ATOM 1061 CB CYS A 70 -28.133 -6.036 -12.786 1.00 0.00 C ATOM 1062 SG CYS A 70 -28.677 -7.206 -11.500 1.00 0.00 S ATOM 0 H CYS A 70 -30.653 -6.447 -13.396 1.00 0.00 H new ATOM 0 HA CYS A 70 -28.238 -5.660 -14.900 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -27.045 -6.058 -12.846 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -28.415 -5.027 -12.487 1.00 0.00 H new ATOM 0 HG CYS A 70 -29.892 -7.593 -11.751 1.00 0.00 H new ATOM 1067 N PRO A 71 -27.221 -7.995 -15.129 1.00 0.00 N ATOM 1068 CA PRO A 71 -26.792 -9.328 -15.564 1.00 0.00 C ATOM 1069 C PRO A 71 -26.535 -10.265 -14.389 1.00 0.00 C ATOM 1070 O PRO A 71 -26.073 -11.392 -14.572 1.00 0.00 O ATOM 1071 CB PRO A 71 -25.492 -9.052 -16.323 1.00 0.00 C ATOM 1072 CG PRO A 71 -24.978 -7.779 -15.744 1.00 0.00 C ATOM 1073 CD PRO A 71 -26.192 -6.971 -15.378 1.00 0.00 C ATOM 0 HA PRO A 71 -27.553 -9.826 -16.164 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -24.777 -9.864 -16.191 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -25.672 -8.956 -17.394 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -24.358 -7.971 -14.868 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -24.357 -7.246 -16.464 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -26.015 -6.357 -14.495 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -26.483 -6.296 -16.183 1.00 0.00 H new ATOM 1081 N TYR A 72 -26.838 -9.794 -13.185 1.00 0.00 N ATOM 1082 CA TYR A 72 -26.637 -10.590 -11.980 1.00 0.00 C ATOM 1083 C TYR A 72 -27.111 -12.025 -12.191 1.00 0.00 C ATOM 1084 O TYR A 72 -27.773 -12.333 -13.181 1.00 0.00 O ATOM 1085 CB TYR A 72 -27.382 -9.964 -10.800 1.00 0.00 C ATOM 1086 CG TYR A 72 -27.448 -10.858 -9.582 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -26.358 -10.986 -8.730 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -28.600 -11.576 -9.285 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -26.413 -11.802 -7.617 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -28.664 -12.393 -8.173 1.00 0.00 C ATOM 1091 CZ TYR A 72 -27.569 -12.503 -7.342 1.00 0.00 C ATOM 1092 OH TYR A 72 -27.629 -13.317 -6.235 1.00 0.00 O ATOM 0 H TYR A 72 -27.224 -8.865 -13.017 1.00 0.00 H new ATOM 0 HA TYR A 72 -25.570 -10.607 -11.760 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -26.893 -9.029 -10.528 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -28.396 -9.715 -11.113 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -25.452 -10.438 -8.942 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -29.459 -11.494 -9.934 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -25.556 -11.891 -6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -29.568 -12.943 -7.955 1.00 0.00 H new ATOM 0 HH TYR A 72 -28.513 -13.737 -6.186 1.00 0.00 H new ATOM 1102 N ALA A 73 -26.766 -12.899 -11.250 1.00 0.00 N ATOM 1103 CA ALA A 73 -27.157 -14.301 -11.330 1.00 0.00 C ATOM 1104 C ALA A 73 -27.177 -14.945 -9.947 1.00 0.00 C ATOM 1105 O ALA A 73 -26.410 -14.564 -9.064 1.00 0.00 O ATOM 1106 CB ALA A 73 -26.216 -15.060 -12.254 1.00 0.00 C ATOM 0 H ALA A 73 -26.217 -12.660 -10.424 1.00 0.00 H new ATOM 0 HA ALA A 73 -28.166 -14.348 -11.739 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -26.520 -16.106 -12.304 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -26.255 -14.623 -13.252 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -25.198 -14.996 -11.869 1.00 0.00 H new ATOM 1112 N SER A 74 -28.061 -15.921 -9.767 1.00 0.00 N ATOM 1113 CA SER A 74 -28.184 -16.615 -8.491 1.00 0.00 C ATOM 1114 C SER A 74 -28.346 -18.117 -8.702 1.00 0.00 C ATOM 1115 O SER A 74 -28.609 -18.574 -9.814 1.00 0.00 O ATOM 1116 CB SER A 74 -29.375 -16.068 -7.702 1.00 0.00 C ATOM 1117 OG SER A 74 -30.571 -16.743 -8.051 1.00 0.00 O ATOM 0 H SER A 74 -28.703 -16.249 -10.489 1.00 0.00 H new ATOM 0 HA SER A 74 -27.270 -16.443 -7.922 1.00 0.00 H new ATOM 0 HB2 SER A 74 -29.189 -16.179 -6.634 1.00 0.00 H new ATOM 0 HB3 SER A 74 -29.485 -15.001 -7.897 1.00 0.00 H new ATOM 0 HG SER A 74 -30.966 -17.144 -7.249 1.00 0.00 H new ATOM 1123 N ARG A 75 -28.185 -18.880 -7.626 1.00 0.00 N ATOM 1124 CA ARG A 75 -28.312 -20.331 -7.692 1.00 0.00 C ATOM 1125 C ARG A 75 -29.770 -20.757 -7.543 1.00 0.00 C ATOM 1126 O ARG A 75 -30.249 -21.628 -8.267 1.00 0.00 O ATOM 1127 CB ARG A 75 -27.464 -20.989 -6.602 1.00 0.00 C ATOM 1128 CG ARG A 75 -27.889 -20.615 -5.191 1.00 0.00 C ATOM 1129 CD ARG A 75 -26.781 -20.888 -4.185 1.00 0.00 C ATOM 1130 NE ARG A 75 -25.825 -19.787 -4.112 1.00 0.00 N ATOM 1131 CZ ARG A 75 -24.774 -19.779 -3.300 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -24.545 -20.809 -2.497 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -23.948 -18.740 -3.291 1.00 0.00 N ATOM 0 H ARG A 75 -27.966 -18.518 -6.698 1.00 0.00 H new ATOM 0 HA ARG A 75 -27.954 -20.657 -8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -27.520 -22.072 -6.714 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -26.421 -20.707 -6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -28.159 -19.560 -5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -28.779 -21.181 -4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -27.218 -21.054 -3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -26.259 -21.804 -4.461 1.00 0.00 H new ATOM 0 HE ARG A 75 -25.972 -18.980 -4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -25.177 -21.610 -2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -23.737 -20.800 -1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -24.120 -17.946 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -23.141 -18.735 -2.667 1.00 0.00 H new ATOM 1147 N ASN A 76 -30.469 -20.136 -6.599 1.00 0.00 N ATOM 1148 CA ASN A 76 -31.871 -20.451 -6.354 1.00 0.00 C ATOM 1149 C ASN A 76 -32.758 -19.242 -6.636 1.00 0.00 C ATOM 1150 O ASN A 76 -32.284 -18.208 -7.106 1.00 0.00 O ATOM 1151 CB ASN A 76 -32.067 -20.916 -4.909 1.00 0.00 C ATOM 1152 CG ASN A 76 -31.719 -19.836 -3.903 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -32.460 -18.868 -3.732 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -30.585 -19.997 -3.231 1.00 0.00 N ATOM 0 H ASN A 76 -30.087 -19.411 -5.991 1.00 0.00 H new ATOM 0 HA ASN A 76 -32.159 -21.256 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -33.103 -21.222 -4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -31.447 -21.794 -4.725 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -30.298 -19.303 -2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -30.001 -20.815 -3.405 1.00 0.00 H new ATOM 1161 N SER A 77 -34.048 -19.380 -6.344 1.00 0.00 N ATOM 1162 CA SER A 77 -35.002 -18.300 -6.569 1.00 0.00 C ATOM 1163 C SER A 77 -34.923 -17.265 -5.452 1.00 0.00 C ATOM 1164 O SER A 77 -34.747 -16.073 -5.706 1.00 0.00 O ATOM 1165 CB SER A 77 -36.423 -18.859 -6.664 1.00 0.00 C ATOM 1166 OG SER A 77 -36.528 -19.811 -7.708 1.00 0.00 O ATOM 0 H SER A 77 -34.456 -20.228 -5.951 1.00 0.00 H new ATOM 0 HA SER A 77 -34.748 -17.813 -7.510 1.00 0.00 H new ATOM 0 HB2 SER A 77 -36.699 -19.322 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 77 -37.127 -18.045 -6.838 1.00 0.00 H new ATOM 0 HG SER A 77 -35.773 -19.706 -8.324 1.00 0.00 H new ATOM 1172 N SER A 78 -35.056 -17.729 -4.213 1.00 0.00 N ATOM 1173 CA SER A 78 -35.005 -16.843 -3.056 1.00 0.00 C ATOM 1174 C SER A 78 -33.978 -15.734 -3.265 1.00 0.00 C ATOM 1175 O SER A 78 -34.312 -14.550 -3.230 1.00 0.00 O ATOM 1176 CB SER A 78 -34.663 -17.638 -1.794 1.00 0.00 C ATOM 1177 OG SER A 78 -34.175 -16.787 -0.771 1.00 0.00 O ATOM 0 H SER A 78 -35.200 -18.713 -3.985 1.00 0.00 H new ATOM 0 HA SER A 78 -35.987 -16.386 -2.935 1.00 0.00 H new ATOM 0 HB2 SER A 78 -35.550 -18.165 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 78 -33.915 -18.395 -2.029 1.00 0.00 H new ATOM 0 HG SER A 78 -33.965 -17.319 0.025 1.00 0.00 H new ATOM 1183 N GLN A 79 -32.727 -16.128 -3.483 1.00 0.00 N ATOM 1184 CA GLN A 79 -31.651 -15.168 -3.697 1.00 0.00 C ATOM 1185 C GLN A 79 -32.096 -14.053 -4.638 1.00 0.00 C ATOM 1186 O GLN A 79 -31.786 -12.881 -4.418 1.00 0.00 O ATOM 1187 CB GLN A 79 -30.418 -15.871 -4.268 1.00 0.00 C ATOM 1188 CG GLN A 79 -29.612 -16.628 -3.224 1.00 0.00 C ATOM 1189 CD GLN A 79 -28.817 -15.707 -2.320 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -27.650 -15.417 -2.582 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -29.447 -15.242 -1.247 1.00 0.00 N ATOM 0 H GLN A 79 -32.434 -17.105 -3.516 1.00 0.00 H new ATOM 0 HA GLN A 79 -31.395 -14.726 -2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -30.734 -16.566 -5.046 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -29.776 -15.130 -4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -30.287 -17.232 -2.618 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -28.931 -17.316 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -30.415 -15.509 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -28.963 -14.618 -0.601 1.00 0.00 H new ATOM 1200 N LEU A 80 -32.823 -14.424 -5.686 1.00 0.00 N ATOM 1201 CA LEU A 80 -33.311 -13.455 -6.661 1.00 0.00 C ATOM 1202 C LEU A 80 -34.339 -12.521 -6.032 1.00 0.00 C ATOM 1203 O LEU A 80 -34.437 -11.349 -6.399 1.00 0.00 O ATOM 1204 CB LEU A 80 -33.926 -14.176 -7.862 1.00 0.00 C ATOM 1205 CG LEU A 80 -34.204 -13.312 -9.092 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -32.901 -12.842 -9.720 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -35.039 -14.081 -10.106 1.00 0.00 C ATOM 0 H LEU A 80 -33.088 -15.389 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 80 -32.464 -12.858 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -33.258 -14.986 -8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -34.863 -14.634 -7.545 1.00 0.00 H new ATOM 0 HG LEU A 80 -34.769 -12.435 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -33.119 -12.228 -10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -32.339 -12.254 -8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -32.310 -13.707 -10.022 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -35.227 -13.451 -10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -34.500 -14.976 -10.417 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -35.988 -14.368 -9.653 1.00 0.00 H new ATOM 1219 N THR A 81 -35.105 -13.046 -5.081 1.00 0.00 N ATOM 1220 CA THR A 81 -36.126 -12.260 -4.400 1.00 0.00 C ATOM 1221 C THR A 81 -35.498 -11.155 -3.558 1.00 0.00 C ATOM 1222 O THR A 81 -35.926 -10.002 -3.609 1.00 0.00 O ATOM 1223 CB THR A 81 -37.006 -13.143 -3.496 1.00 0.00 C ATOM 1224 OG1 THR A 81 -37.783 -14.042 -4.295 1.00 0.00 O ATOM 1225 CG2 THR A 81 -37.929 -12.290 -2.639 1.00 0.00 C ATOM 0 H THR A 81 -35.037 -14.013 -4.765 1.00 0.00 H new ATOM 0 HA THR A 81 -36.749 -11.813 -5.174 1.00 0.00 H new ATOM 0 HB THR A 81 -36.352 -13.716 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 81 -38.338 -14.601 -3.712 1.00 0.00 H new ATOM 0 HG21 THR A 81 -38.541 -12.936 -2.009 1.00 0.00 H new ATOM 0 HG22 THR A 81 -37.333 -11.628 -2.010 1.00 0.00 H new ATOM 0 HG23 THR A 81 -38.575 -11.694 -3.283 1.00 0.00 H new ATOM 1233 N VAL A 82 -34.480 -11.515 -2.782 1.00 0.00 N ATOM 1234 CA VAL A 82 -33.792 -10.554 -1.929 1.00 0.00 C ATOM 1235 C VAL A 82 -32.982 -9.564 -2.759 1.00 0.00 C ATOM 1236 O VAL A 82 -32.874 -8.388 -2.411 1.00 0.00 O ATOM 1237 CB VAL A 82 -32.853 -11.259 -0.932 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -32.117 -10.239 -0.078 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -33.636 -12.231 -0.062 1.00 0.00 C ATOM 0 H VAL A 82 -34.114 -12.465 -2.727 1.00 0.00 H new ATOM 0 HA VAL A 82 -34.561 -10.016 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 82 -32.112 -11.826 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -31.459 -10.756 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -31.525 -9.587 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -32.839 -9.642 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -32.958 -12.721 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -34.400 -11.687 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -34.112 -12.982 -0.693 1.00 0.00 H new ATOM 1249 N HIS A 83 -32.414 -10.048 -3.860 1.00 0.00 N ATOM 1250 CA HIS A 83 -31.614 -9.205 -4.741 1.00 0.00 C ATOM 1251 C HIS A 83 -32.500 -8.235 -5.516 1.00 0.00 C ATOM 1252 O HIS A 83 -32.200 -7.044 -5.610 1.00 0.00 O ATOM 1253 CB HIS A 83 -30.809 -10.068 -5.714 1.00 0.00 C ATOM 1254 CG HIS A 83 -30.485 -9.375 -7.001 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -29.224 -8.908 -7.308 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -31.266 -9.071 -8.065 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -29.244 -8.346 -8.504 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -30.471 -8.432 -8.984 1.00 0.00 N ATOM 0 H HIS A 83 -32.493 -11.019 -4.163 1.00 0.00 H new ATOM 0 HA HIS A 83 -30.926 -8.627 -4.124 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -29.881 -10.375 -5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -31.371 -10.977 -5.931 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -32.318 -9.290 -8.171 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -28.400 -7.893 -9.004 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -30.778 -8.081 -9.891 1.00 0.00 H new ATOM 1266 N LEU A 84 -33.591 -8.751 -6.070 1.00 0.00 N ATOM 1267 CA LEU A 84 -34.521 -7.930 -6.838 1.00 0.00 C ATOM 1268 C LEU A 84 -34.968 -6.714 -6.032 1.00 0.00 C ATOM 1269 O LEU A 84 -34.799 -5.574 -6.465 1.00 0.00 O ATOM 1270 CB LEU A 84 -35.740 -8.757 -7.252 1.00 0.00 C ATOM 1271 CG LEU A 84 -35.623 -9.504 -8.582 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -36.737 -10.530 -8.716 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -35.653 -8.526 -9.747 1.00 0.00 C ATOM 0 H LEU A 84 -33.854 -9.734 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 84 -34.005 -7.581 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -35.945 -9.484 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -36.603 -8.094 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 84 -34.668 -10.030 -8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -36.638 -11.052 -9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -36.670 -11.249 -7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -37.703 -10.026 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -35.569 -9.075 -10.685 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -36.592 -7.973 -9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -34.820 -7.829 -9.658 1.00 0.00 H new ATOM 1285 N ARG A 85 -35.536 -6.965 -4.857 1.00 0.00 N ATOM 1286 CA ARG A 85 -36.005 -5.891 -3.990 1.00 0.00 C ATOM 1287 C ARG A 85 -34.935 -4.816 -3.828 1.00 0.00 C ATOM 1288 O ARG A 85 -35.245 -3.639 -3.645 1.00 0.00 O ATOM 1289 CB ARG A 85 -36.396 -6.447 -2.620 1.00 0.00 C ATOM 1290 CG ARG A 85 -35.265 -7.176 -1.913 1.00 0.00 C ATOM 1291 CD ARG A 85 -35.617 -7.479 -0.465 1.00 0.00 C ATOM 1292 NE ARG A 85 -34.434 -7.507 0.391 1.00 0.00 N ATOM 1293 CZ ARG A 85 -34.436 -7.979 1.633 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -35.553 -8.461 2.160 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -33.319 -7.971 2.349 1.00 0.00 N ATOM 0 H ARG A 85 -35.682 -7.903 -4.484 1.00 0.00 H new ATOM 0 HA ARG A 85 -36.881 -5.439 -4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -36.739 -5.627 -1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -37.237 -7.129 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -35.046 -8.106 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -34.360 -6.569 -1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -36.314 -6.726 -0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -36.128 -8.440 -0.409 1.00 0.00 H new ATOM 0 HE ARG A 85 -33.558 -7.144 0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -36.413 -8.470 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -35.552 -8.823 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -32.458 -7.602 1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -33.322 -8.334 3.302 1.00 0.00 H new ATOM 1309 N SER A 86 -33.673 -5.229 -3.897 1.00 0.00 N ATOM 1310 CA SER A 86 -32.556 -4.303 -3.754 1.00 0.00 C ATOM 1311 C SER A 86 -32.668 -3.158 -4.756 1.00 0.00 C ATOM 1312 O SER A 86 -32.362 -2.008 -4.440 1.00 0.00 O ATOM 1313 CB SER A 86 -31.228 -5.037 -3.947 1.00 0.00 C ATOM 1314 OG SER A 86 -30.142 -4.261 -3.472 1.00 0.00 O ATOM 0 H SER A 86 -33.399 -6.199 -4.051 1.00 0.00 H new ATOM 0 HA SER A 86 -32.589 -3.886 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 86 -31.256 -5.990 -3.419 1.00 0.00 H new ATOM 0 HB3 SER A 86 -31.084 -5.262 -5.004 1.00 0.00 H new ATOM 0 HG SER A 86 -29.305 -4.753 -3.606 1.00 0.00 H new ATOM 1320 N HIS A 87 -33.109 -3.482 -5.968 1.00 0.00 N ATOM 1321 CA HIS A 87 -33.263 -2.482 -7.018 1.00 0.00 C ATOM 1322 C HIS A 87 -34.245 -1.394 -6.594 1.00 0.00 C ATOM 1323 O HIS A 87 -35.441 -1.479 -6.875 1.00 0.00 O ATOM 1324 CB HIS A 87 -33.741 -3.140 -8.313 1.00 0.00 C ATOM 1325 CG HIS A 87 -32.680 -3.940 -9.005 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -31.511 -3.385 -9.483 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -32.616 -5.260 -9.298 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -30.775 -4.330 -10.041 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -31.422 -5.476 -9.942 1.00 0.00 N ATOM 0 H HIS A 87 -33.366 -4.429 -6.247 1.00 0.00 H new ATOM 0 HA HIS A 87 -32.290 -2.021 -7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -34.587 -3.790 -8.090 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -34.103 -2.367 -8.992 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -31.255 -2.400 -9.416 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -33.364 -6.004 -9.068 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -29.808 -4.189 -10.500 1.00 0.00 H new