USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 100:sc= 0.597 USER MOD Set 1.2: A 95 HEM CMB :methyl 150:sc= -3.77! (180deg=-3.77!) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -5.48! C(o=-5.5!,f=-5.9!) USER MOD Set 2.2: A 20 SER OG : rot 170:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.012) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 63:sc= -2.41! USER MOD Single : A 26 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.2! C(o=-4.2!,f=-6!) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 0.98 (180deg=-0.284!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -134:sc= -1.12! USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0642) USER MOD Single : A 49 GLN : amide:sc= -1.24 K(o=-1.2,f=0.19) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0932 K(o=-0.093,f=-0.67) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -29:sc= 0.381 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -3.01 K(o=-3,f=-4.9) USER MOD Single : A 85 SER OG : rot -14:sc= 0.28 USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= -0.215 (180deg=-0.572) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.123 (180deg=-0.605) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -6.47! (180deg=-9.84!) USER MOD Single : A 95 HEM CMD :methyl -30:sc=-0.00287 (180deg=-0.00306) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.889 12.853 -27.240 1.00 0.00 N ATOM 2 CA VAL A 4 14.434 13.846 -26.282 1.00 0.00 C ATOM 3 C VAL A 4 15.579 14.188 -25.327 1.00 0.00 C ATOM 4 O VAL A 4 16.565 13.458 -25.247 1.00 0.00 O ATOM 5 CB VAL A 4 13.182 13.342 -25.560 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.474 13.070 -24.083 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.024 14.328 -25.718 1.00 0.00 C ATOM 0 HA VAL A 4 14.150 14.767 -26.791 1.00 0.00 H new ATOM 0 HB VAL A 4 12.885 12.400 -26.022 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.568 12.713 -23.593 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.254 12.313 -24.000 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.808 13.990 -23.603 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.147 13.946 -25.196 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.307 15.292 -25.295 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.792 14.450 -26.776 1.00 0.00 H new ATOM 17 N LYS A 5 15.409 15.300 -24.625 1.00 0.00 N ATOM 18 CA LYS A 5 16.416 15.748 -23.679 1.00 0.00 C ATOM 19 C LYS A 5 16.199 15.042 -22.339 1.00 0.00 C ATOM 20 O LYS A 5 15.068 14.913 -21.876 1.00 0.00 O ATOM 21 CB LYS A 5 16.413 17.275 -23.576 1.00 0.00 C ATOM 22 CG LYS A 5 17.819 17.841 -23.783 1.00 0.00 C ATOM 23 CD LYS A 5 17.848 18.822 -24.957 1.00 0.00 C ATOM 24 CE LYS A 5 19.209 19.513 -25.061 1.00 0.00 C ATOM 25 NZ LYS A 5 19.264 20.371 -26.265 1.00 0.00 N ATOM 0 H LYS A 5 14.589 15.903 -24.693 1.00 0.00 H new ATOM 0 HA LYS A 5 17.413 15.477 -24.026 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.736 17.692 -24.321 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.036 17.576 -22.599 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.149 18.345 -22.875 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.519 17.026 -23.968 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.634 18.291 -25.885 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.065 19.570 -24.830 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.387 20.115 -24.170 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.001 18.765 -25.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.194 20.832 -26.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.116 19.788 -27.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.521 21.096 -26.209 1.00 0.00 H new ATOM 39 N TYR A 6 17.304 14.601 -21.754 1.00 0.00 N ATOM 40 CA TYR A 6 17.250 13.910 -20.476 1.00 0.00 C ATOM 41 C TYR A 6 17.471 14.884 -19.317 1.00 0.00 C ATOM 42 O TYR A 6 18.610 15.159 -18.941 1.00 0.00 O ATOM 43 CB TYR A 6 18.393 12.894 -20.498 1.00 0.00 C ATOM 44 CG TYR A 6 18.105 11.651 -21.342 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.875 11.031 -21.258 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.073 11.150 -22.187 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.603 9.861 -22.053 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.803 9.980 -22.981 1.00 0.00 C ATOM 49 CZ TYR A 6 17.580 9.393 -22.874 1.00 0.00 C ATOM 50 OH TYR A 6 17.324 8.289 -23.625 1.00 0.00 O ATOM 0 H TYR A 6 18.241 14.709 -22.141 1.00 0.00 H new ATOM 0 HA TYR A 6 16.276 13.441 -20.334 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.290 13.380 -20.881 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.610 12.584 -19.476 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.117 11.423 -20.596 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.035 11.636 -22.253 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.644 9.367 -21.998 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.553 9.578 -23.646 1.00 0.00 H new ATOM 0 HH TYR A 6 18.113 8.070 -24.164 1.00 0.00 H new ATOM 60 N TYR A 7 16.365 15.379 -18.783 1.00 0.00 N ATOM 61 CA TYR A 7 16.423 16.317 -17.674 1.00 0.00 C ATOM 62 C TYR A 7 16.099 15.621 -16.351 1.00 0.00 C ATOM 63 O TYR A 7 15.095 14.918 -16.243 1.00 0.00 O ATOM 64 CB TYR A 7 15.352 17.373 -17.957 1.00 0.00 C ATOM 65 CG TYR A 7 14.466 17.052 -19.162 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.407 16.177 -19.027 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.725 17.637 -20.384 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.572 15.876 -20.161 1.00 0.00 C ATOM 69 CE2 TYR A 7 13.891 17.336 -21.519 1.00 0.00 C ATOM 70 CZ TYR A 7 12.855 16.469 -21.351 1.00 0.00 C ATOM 71 OH TYR A 7 12.068 16.185 -22.422 1.00 0.00 O ATOM 0 H TYR A 7 15.422 15.148 -19.097 1.00 0.00 H new ATOM 0 HA TYR A 7 17.421 16.747 -17.587 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.722 17.482 -17.074 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.839 18.334 -18.122 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.205 15.718 -18.071 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.554 18.321 -20.490 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.739 15.194 -20.068 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.083 17.788 -22.481 1.00 0.00 H new ATOM 0 HH TYR A 7 12.388 16.681 -23.204 1.00 0.00 H new ATOM 81 N THR A 8 16.969 15.841 -15.375 1.00 0.00 N ATOM 82 CA THR A 8 16.788 15.243 -14.063 1.00 0.00 C ATOM 83 C THR A 8 15.779 16.050 -13.244 1.00 0.00 C ATOM 84 O THR A 8 15.493 17.202 -13.566 1.00 0.00 O ATOM 85 CB THR A 8 18.163 15.136 -13.399 1.00 0.00 C ATOM 86 OG1 THR A 8 18.534 16.489 -13.148 1.00 0.00 O ATOM 87 CG2 THR A 8 19.239 14.627 -14.360 1.00 0.00 C ATOM 0 H THR A 8 17.800 16.425 -15.467 1.00 0.00 H new ATOM 0 HA THR A 8 16.369 14.240 -14.140 1.00 0.00 H new ATOM 0 HB THR A 8 18.100 14.469 -12.539 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.414 16.512 -12.717 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.195 14.570 -13.839 1.00 0.00 H new ATOM 0 HG22 THR A 8 18.964 13.637 -14.723 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.326 15.311 -15.204 1.00 0.00 H new ATOM 95 N LEU A 9 15.268 15.413 -12.201 1.00 0.00 N ATOM 96 CA LEU A 9 14.297 16.058 -11.333 1.00 0.00 C ATOM 97 C LEU A 9 14.634 17.546 -11.213 1.00 0.00 C ATOM 98 O LEU A 9 13.745 18.394 -11.268 1.00 0.00 O ATOM 99 CB LEU A 9 14.218 15.335 -9.986 1.00 0.00 C ATOM 100 CG LEU A 9 13.458 14.008 -9.981 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.653 13.260 -11.301 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.854 13.154 -8.775 1.00 0.00 C ATOM 0 H LEU A 9 15.508 14.457 -11.937 1.00 0.00 H new ATOM 0 HA LEU A 9 13.298 15.991 -11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.233 15.151 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.748 16.003 -9.265 1.00 0.00 H new ATOM 0 HG LEU A 9 12.394 14.224 -9.887 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.102 12.320 -11.271 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.283 13.872 -12.124 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.713 13.055 -11.450 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.299 12.216 -8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.923 12.944 -8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.622 13.693 -7.856 1.00 0.00 H new ATOM 114 N GLU A 10 15.921 17.817 -11.052 1.00 0.00 N ATOM 115 CA GLU A 10 16.386 19.187 -10.925 1.00 0.00 C ATOM 116 C GLU A 10 15.581 20.110 -11.843 1.00 0.00 C ATOM 117 O GLU A 10 15.408 21.290 -11.546 1.00 0.00 O ATOM 118 CB GLU A 10 17.884 19.288 -11.223 1.00 0.00 C ATOM 119 CG GLU A 10 18.579 20.225 -10.233 1.00 0.00 C ATOM 120 CD GLU A 10 20.076 20.323 -10.529 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.801 19.400 -10.099 1.00 0.00 O ATOM 122 OE2 GLU A 10 20.462 21.318 -11.180 1.00 0.00 O ATOM 0 H GLU A 10 16.656 17.111 -11.007 1.00 0.00 H new ATOM 0 HA GLU A 10 16.231 19.507 -9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.336 18.298 -11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.032 19.653 -12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.128 21.216 -10.287 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.429 19.862 -9.216 1.00 0.00 H new ATOM 129 N GLU A 11 15.111 19.535 -12.940 1.00 0.00 N ATOM 130 CA GLU A 11 14.328 20.290 -13.903 1.00 0.00 C ATOM 131 C GLU A 11 12.834 20.109 -13.632 1.00 0.00 C ATOM 132 O GLU A 11 12.102 21.088 -13.490 1.00 0.00 O ATOM 133 CB GLU A 11 14.678 19.880 -15.336 1.00 0.00 C ATOM 134 CG GLU A 11 13.414 19.670 -16.171 1.00 0.00 C ATOM 135 CD GLU A 11 13.742 19.634 -17.665 1.00 0.00 C ATOM 136 OE1 GLU A 11 14.773 20.237 -18.033 1.00 0.00 O ATOM 137 OE2 GLU A 11 12.955 19.005 -18.404 1.00 0.00 O ATOM 0 H GLU A 11 15.257 18.555 -13.183 1.00 0.00 H new ATOM 0 HA GLU A 11 14.572 21.346 -13.791 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.299 20.649 -15.797 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.265 18.962 -15.322 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.932 18.737 -15.879 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.704 20.472 -15.970 1.00 0.00 H new ATOM 144 N ILE A 12 12.424 18.851 -13.568 1.00 0.00 N ATOM 145 CA ILE A 12 11.030 18.529 -13.315 1.00 0.00 C ATOM 146 C ILE A 12 10.561 19.263 -12.057 1.00 0.00 C ATOM 147 O ILE A 12 9.406 19.680 -11.972 1.00 0.00 O ATOM 148 CB ILE A 12 10.832 17.013 -13.250 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.188 16.357 -14.586 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.413 16.663 -12.799 1.00 0.00 C ATOM 151 CD1 ILE A 12 10.831 14.869 -14.579 1.00 0.00 C ATOM 0 H ILE A 12 13.033 18.042 -13.687 1.00 0.00 H new ATOM 0 HA ILE A 12 10.405 18.874 -14.139 1.00 0.00 H new ATOM 0 HB ILE A 12 11.515 16.611 -12.501 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.656 16.858 -15.395 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.253 16.478 -14.782 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.300 15.580 -12.762 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.232 17.081 -11.809 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.694 17.079 -13.505 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.094 14.427 -15.540 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.383 14.366 -13.785 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.761 14.752 -14.407 1.00 0.00 H new ATOM 163 N GLN A 13 11.480 19.401 -11.113 1.00 0.00 N ATOM 164 CA GLN A 13 11.175 20.078 -9.864 1.00 0.00 C ATOM 165 C GLN A 13 11.278 21.594 -10.044 1.00 0.00 C ATOM 166 O GLN A 13 10.647 22.354 -9.311 1.00 0.00 O ATOM 167 CB GLN A 13 12.094 19.595 -8.740 1.00 0.00 C ATOM 168 CG GLN A 13 13.566 19.748 -9.131 1.00 0.00 C ATOM 169 CD GLN A 13 14.323 20.587 -8.098 1.00 0.00 C ATOM 170 OE1 GLN A 13 14.165 21.793 -8.005 1.00 0.00 O ATOM 171 NE2 GLN A 13 15.149 19.882 -7.331 1.00 0.00 N ATOM 0 H GLN A 13 12.437 19.055 -11.188 1.00 0.00 H new ATOM 0 HA GLN A 13 10.151 19.834 -9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.894 20.164 -7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.881 18.550 -8.515 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.028 18.764 -9.215 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.639 20.219 -10.111 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.232 18.874 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.699 20.349 -6.610 1.00 0.00 H new ATOM 180 N LYS A 14 12.079 21.989 -11.024 1.00 0.00 N ATOM 181 CA LYS A 14 12.273 23.400 -11.308 1.00 0.00 C ATOM 182 C LYS A 14 11.036 23.946 -12.023 1.00 0.00 C ATOM 183 O LYS A 14 10.870 25.159 -12.145 1.00 0.00 O ATOM 184 CB LYS A 14 13.576 23.616 -12.081 1.00 0.00 C ATOM 185 CG LYS A 14 14.626 24.304 -11.206 1.00 0.00 C ATOM 186 CD LYS A 14 14.394 25.815 -11.158 1.00 0.00 C ATOM 187 CE LYS A 14 15.723 26.571 -11.088 1.00 0.00 C ATOM 188 NZ LYS A 14 16.125 27.037 -12.435 1.00 0.00 N ATOM 0 H LYS A 14 12.600 21.356 -11.630 1.00 0.00 H new ATOM 0 HA LYS A 14 12.381 23.964 -10.382 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.960 22.657 -12.429 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.382 24.222 -12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.588 23.894 -10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.622 24.098 -11.597 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.838 26.130 -12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.783 26.066 -10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.629 27.423 -10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.496 25.923 -10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.028 27.548 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.235 26.218 -13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.394 27.672 -12.815 1.00 0.00 H new ATOM 202 N HIS A 15 10.198 23.025 -12.476 1.00 0.00 N ATOM 203 CA HIS A 15 8.981 23.399 -13.176 1.00 0.00 C ATOM 204 C HIS A 15 7.767 22.876 -12.406 1.00 0.00 C ATOM 205 O HIS A 15 6.960 22.123 -12.951 1.00 0.00 O ATOM 206 CB HIS A 15 9.017 22.916 -14.627 1.00 0.00 C ATOM 207 CG HIS A 15 10.221 23.395 -15.403 1.00 0.00 C ATOM 208 ND1 HIS A 15 10.132 23.894 -16.691 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.540 23.447 -15.060 1.00 0.00 C ATOM 210 CE1 HIS A 15 11.349 24.227 -17.095 1.00 0.00 C ATOM 211 NE2 HIS A 15 12.221 23.949 -16.083 1.00 0.00 N ATOM 0 H HIS A 15 10.338 22.020 -12.372 1.00 0.00 H new ATOM 0 HA HIS A 15 8.901 24.485 -13.219 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.001 21.826 -14.637 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.113 23.253 -15.134 1.00 0.00 H new ATOM 0 HD1 HIS A 15 9.275 23.989 -17.236 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.960 23.133 -14.116 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.606 24.645 -18.057 1.00 0.00 H new ATOM 219 N LYS A 16 7.673 23.295 -11.153 1.00 0.00 N ATOM 220 CA LYS A 16 6.571 22.878 -10.304 1.00 0.00 C ATOM 221 C LYS A 16 5.645 24.071 -10.054 1.00 0.00 C ATOM 222 O LYS A 16 5.536 24.551 -8.927 1.00 0.00 O ATOM 223 CB LYS A 16 7.097 22.228 -9.023 1.00 0.00 C ATOM 224 CG LYS A 16 5.945 21.830 -8.098 1.00 0.00 C ATOM 225 CD LYS A 16 6.425 21.701 -6.650 1.00 0.00 C ATOM 226 CE LYS A 16 6.459 23.067 -5.961 1.00 0.00 C ATOM 227 NZ LYS A 16 5.361 23.178 -4.975 1.00 0.00 N ATOM 0 H LYS A 16 8.343 23.920 -10.705 1.00 0.00 H new ATOM 0 HA LYS A 16 5.976 22.112 -10.801 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.688 21.347 -9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.761 22.920 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.152 22.575 -8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.518 20.883 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.764 21.030 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.419 21.255 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.418 23.206 -5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.369 23.858 -6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.399 24.111 -4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.447 23.067 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.464 22.434 -4.255 1.00 0.00 H new ATOM 241 N ASP A 17 5.003 24.515 -11.124 1.00 0.00 N ATOM 242 CA ASP A 17 4.090 25.643 -11.035 1.00 0.00 C ATOM 243 C ASP A 17 3.146 25.625 -12.238 1.00 0.00 C ATOM 244 O ASP A 17 3.490 25.100 -13.295 1.00 0.00 O ATOM 245 CB ASP A 17 4.852 26.969 -11.051 1.00 0.00 C ATOM 246 CG ASP A 17 4.949 27.677 -9.697 1.00 0.00 C ATOM 247 OD1 ASP A 17 3.939 27.636 -8.962 1.00 0.00 O ATOM 248 OD2 ASP A 17 6.032 28.240 -9.429 1.00 0.00 O ATOM 0 H ASP A 17 5.096 24.115 -12.057 1.00 0.00 H new ATOM 0 HA ASP A 17 3.536 25.557 -10.100 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.861 26.786 -11.421 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.368 27.640 -11.761 1.00 0.00 H new ATOM 253 N SER A 18 1.971 26.205 -12.036 1.00 0.00 N ATOM 254 CA SER A 18 0.974 26.262 -13.091 1.00 0.00 C ATOM 255 C SER A 18 1.646 26.572 -14.430 1.00 0.00 C ATOM 256 O SER A 18 1.475 25.835 -15.400 1.00 0.00 O ATOM 257 CB SER A 18 -0.097 27.310 -12.779 1.00 0.00 C ATOM 258 OG SER A 18 -1.397 26.877 -13.169 1.00 0.00 O ATOM 0 H SER A 18 1.688 26.639 -11.158 1.00 0.00 H new ATOM 0 HA SER A 18 0.486 25.290 -13.154 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.092 27.526 -11.711 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.145 28.240 -13.294 1.00 0.00 H new ATOM 0 HG SER A 18 -2.052 27.572 -12.952 1.00 0.00 H new ATOM 264 N LYS A 19 2.396 27.665 -14.440 1.00 0.00 N ATOM 265 CA LYS A 19 3.094 28.081 -15.645 1.00 0.00 C ATOM 266 C LYS A 19 3.655 26.848 -16.356 1.00 0.00 C ATOM 267 O LYS A 19 3.285 26.560 -17.493 1.00 0.00 O ATOM 268 CB LYS A 19 4.152 29.135 -15.314 1.00 0.00 C ATOM 269 CG LYS A 19 4.875 29.604 -16.578 1.00 0.00 C ATOM 270 CD LYS A 19 4.020 30.603 -17.359 1.00 0.00 C ATOM 271 CE LYS A 19 4.054 30.301 -18.858 1.00 0.00 C ATOM 272 NZ LYS A 19 5.199 30.985 -19.499 1.00 0.00 N ATOM 0 H LYS A 19 2.535 28.274 -13.634 1.00 0.00 H new ATOM 0 HA LYS A 19 2.404 28.562 -16.338 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.681 29.987 -14.824 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.874 28.721 -14.610 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.825 30.066 -16.308 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.106 28.746 -17.209 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.991 30.565 -17.000 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.383 31.615 -17.180 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.130 29.225 -19.017 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.123 30.626 -19.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.207 30.769 -20.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.110 32.012 -19.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.086 30.655 -19.068 1.00 0.00 H new ATOM 286 N SER A 20 4.540 26.152 -15.657 1.00 0.00 N ATOM 287 CA SER A 20 5.157 24.957 -16.207 1.00 0.00 C ATOM 288 C SER A 20 5.156 23.840 -15.162 1.00 0.00 C ATOM 289 O SER A 20 5.909 23.893 -14.191 1.00 0.00 O ATOM 290 CB SER A 20 6.585 25.242 -16.678 1.00 0.00 C ATOM 291 OG SER A 20 6.858 24.642 -17.942 1.00 0.00 O ATOM 0 H SER A 20 4.845 26.393 -14.714 1.00 0.00 H new ATOM 0 HA SER A 20 4.575 24.638 -17.071 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.736 26.319 -16.747 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.293 24.868 -15.938 1.00 0.00 H new ATOM 0 HG SER A 20 7.714 24.975 -18.284 1.00 0.00 H new ATOM 297 N THR A 21 4.301 22.855 -15.396 1.00 0.00 N ATOM 298 CA THR A 21 4.192 21.727 -14.487 1.00 0.00 C ATOM 299 C THR A 21 4.028 20.424 -15.272 1.00 0.00 C ATOM 300 O THR A 21 3.179 20.330 -16.157 1.00 0.00 O ATOM 301 CB THR A 21 3.036 22.006 -13.524 1.00 0.00 C ATOM 302 OG1 THR A 21 3.612 22.839 -12.522 1.00 0.00 O ATOM 303 CG2 THR A 21 2.595 20.755 -12.760 1.00 0.00 C ATOM 0 H THR A 21 3.677 22.815 -16.202 1.00 0.00 H new ATOM 0 HA THR A 21 5.101 21.603 -13.899 1.00 0.00 H new ATOM 0 HB THR A 21 2.190 22.409 -14.080 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.914 23.678 -12.928 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.773 21.008 -12.091 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.266 19.994 -13.467 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.432 20.371 -12.177 1.00 0.00 H new ATOM 311 N TRP A 22 4.854 19.450 -14.918 1.00 0.00 N ATOM 312 CA TRP A 22 4.812 18.157 -15.578 1.00 0.00 C ATOM 313 C TRP A 22 4.729 17.077 -14.498 1.00 0.00 C ATOM 314 O TRP A 22 4.587 17.386 -13.316 1.00 0.00 O ATOM 315 CB TRP A 22 6.012 17.977 -16.511 1.00 0.00 C ATOM 316 CG TRP A 22 6.556 19.287 -17.084 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.864 20.322 -17.580 1.00 0.00 C ATOM 318 CD2 TRP A 22 7.944 19.664 -17.199 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.701 21.333 -18.005 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.006 20.920 -17.767 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.110 18.966 -16.837 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.210 21.588 -18.021 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.305 19.647 -17.098 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.384 20.912 -17.669 1.00 0.00 C ATOM 0 H TRP A 22 5.556 19.531 -14.183 1.00 0.00 H new ATOM 0 HA TRP A 22 3.932 18.080 -16.217 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.810 17.471 -15.967 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.724 17.324 -17.335 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.786 20.360 -17.640 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.414 22.221 -18.418 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.085 17.982 -16.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.232 22.572 -18.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.230 19.155 -16.837 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.347 21.371 -17.840 1.00 0.00 H new ATOM 335 N VAL A 23 4.821 15.832 -14.943 1.00 0.00 N ATOM 336 CA VAL A 23 4.758 14.705 -14.027 1.00 0.00 C ATOM 337 C VAL A 23 5.378 13.476 -14.695 1.00 0.00 C ATOM 338 O VAL A 23 4.882 13.001 -15.716 1.00 0.00 O ATOM 339 CB VAL A 23 3.313 14.474 -13.579 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.822 15.626 -12.700 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.391 14.273 -14.783 1.00 0.00 C ATOM 0 H VAL A 23 4.938 15.579 -15.924 1.00 0.00 H new ATOM 0 HA VAL A 23 5.335 14.913 -13.126 1.00 0.00 H new ATOM 0 HB VAL A 23 3.289 13.562 -12.982 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.793 15.438 -12.395 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.454 15.704 -11.815 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.869 16.558 -13.263 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.370 14.111 -14.437 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.423 15.159 -15.417 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.722 13.406 -15.354 1.00 0.00 H new ATOM 351 N ILE A 24 6.457 12.996 -14.093 1.00 0.00 N ATOM 352 CA ILE A 24 7.152 11.833 -14.616 1.00 0.00 C ATOM 353 C ILE A 24 6.336 10.576 -14.306 1.00 0.00 C ATOM 354 O ILE A 24 6.198 10.191 -13.146 1.00 0.00 O ATOM 355 CB ILE A 24 8.585 11.781 -14.087 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.334 10.569 -14.646 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.607 11.812 -12.557 1.00 0.00 C ATOM 358 CD1 ILE A 24 8.810 9.270 -14.031 1.00 0.00 C ATOM 0 H ILE A 24 6.867 13.392 -13.247 1.00 0.00 H new ATOM 0 HA ILE A 24 7.241 11.898 -15.700 1.00 0.00 H new ATOM 0 HB ILE A 24 9.109 12.671 -14.435 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.220 10.535 -15.729 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.400 10.669 -14.440 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.639 11.774 -12.207 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.138 12.731 -12.205 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.060 10.953 -12.168 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.359 8.424 -14.445 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.948 9.298 -12.950 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.750 9.161 -14.259 1.00 0.00 H new ATOM 370 N LEU A 25 5.817 9.969 -15.364 1.00 0.00 N ATOM 371 CA LEU A 25 5.019 8.764 -15.219 1.00 0.00 C ATOM 372 C LEU A 25 5.589 7.669 -16.123 1.00 0.00 C ATOM 373 O LEU A 25 5.642 7.830 -17.342 1.00 0.00 O ATOM 374 CB LEU A 25 3.542 9.065 -15.475 1.00 0.00 C ATOM 375 CG LEU A 25 3.207 9.671 -16.840 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.865 8.579 -17.855 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.091 10.712 -16.719 1.00 0.00 C ATOM 0 H LEU A 25 5.934 10.290 -16.325 1.00 0.00 H new ATOM 0 HA LEU A 25 5.072 8.393 -14.195 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.978 8.139 -15.363 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.191 9.747 -14.701 1.00 0.00 H new ATOM 0 HG LEU A 25 4.091 10.189 -17.210 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.631 9.036 -18.816 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.717 7.909 -17.970 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.003 8.012 -17.503 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.872 11.127 -17.703 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.195 10.240 -16.317 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.410 11.512 -16.051 1.00 0.00 H new ATOM 389 N HIS A 26 6.001 6.579 -15.492 1.00 0.00 N ATOM 390 CA HIS A 26 6.564 5.457 -16.225 1.00 0.00 C ATOM 391 C HIS A 26 7.850 5.898 -16.929 1.00 0.00 C ATOM 392 O HIS A 26 8.120 5.481 -18.053 1.00 0.00 O ATOM 393 CB HIS A 26 5.535 4.865 -17.188 1.00 0.00 C ATOM 394 CG HIS A 26 5.020 3.506 -16.777 1.00 0.00 C ATOM 395 ND1 HIS A 26 3.672 3.200 -16.724 1.00 0.00 N ATOM 396 CD2 HIS A 26 5.687 2.377 -16.403 1.00 0.00 C ATOM 397 CE1 HIS A 26 3.544 1.940 -16.332 1.00 0.00 C ATOM 398 NE2 HIS A 26 4.794 1.432 -16.134 1.00 0.00 N ATOM 0 H HIS A 26 5.956 6.449 -14.481 1.00 0.00 H new ATOM 0 HA HIS A 26 6.826 4.659 -15.530 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.693 5.552 -17.271 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.982 4.788 -18.179 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.760 2.270 -16.337 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.614 1.409 -16.194 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.008 0.482 -15.829 1.00 0.00 H new ATOM 406 N HIS A 27 8.607 6.737 -16.238 1.00 0.00 N ATOM 407 CA HIS A 27 9.857 7.239 -16.781 1.00 0.00 C ATOM 408 C HIS A 27 9.567 8.151 -17.975 1.00 0.00 C ATOM 409 O HIS A 27 10.432 8.363 -18.825 1.00 0.00 O ATOM 410 CB HIS A 27 10.799 6.085 -17.133 1.00 0.00 C ATOM 411 CG HIS A 27 10.716 4.914 -16.184 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.656 5.066 -14.809 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.682 3.572 -16.424 1.00 0.00 C ATOM 414 CE1 HIS A 27 10.591 3.863 -14.258 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.607 2.939 -15.261 1.00 0.00 N ATOM 0 H HIS A 27 8.378 7.082 -15.306 1.00 0.00 H new ATOM 0 HA HIS A 27 10.372 7.835 -16.028 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.572 5.739 -18.141 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.824 6.457 -17.146 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.711 3.104 -17.397 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.535 3.651 -13.200 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.568 1.927 -15.137 1.00 0.00 H new ATOM 423 N LYS A 28 8.348 8.669 -18.001 1.00 0.00 N ATOM 424 CA LYS A 28 7.933 9.554 -19.076 1.00 0.00 C ATOM 425 C LYS A 28 7.183 10.750 -18.485 1.00 0.00 C ATOM 426 O LYS A 28 6.054 10.610 -18.018 1.00 0.00 O ATOM 427 CB LYS A 28 7.131 8.783 -20.126 1.00 0.00 C ATOM 428 CG LYS A 28 7.832 7.476 -20.500 1.00 0.00 C ATOM 429 CD LYS A 28 8.938 7.721 -21.528 1.00 0.00 C ATOM 430 CE LYS A 28 10.082 6.721 -21.352 1.00 0.00 C ATOM 431 NZ LYS A 28 10.827 6.556 -22.621 1.00 0.00 N ATOM 0 H LYS A 28 7.634 8.493 -17.294 1.00 0.00 H new ATOM 0 HA LYS A 28 8.803 9.950 -19.601 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.134 8.568 -19.742 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.003 9.399 -21.016 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.256 7.018 -19.606 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.105 6.772 -20.904 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.529 7.637 -22.535 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.319 8.737 -21.422 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.757 7.066 -20.569 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.685 5.759 -21.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.742 6.100 -22.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.275 5.963 -23.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.988 7.488 -23.053 1.00 0.00 H new ATOM 445 N VAL A 29 7.841 11.900 -18.526 1.00 0.00 N ATOM 446 CA VAL A 29 7.251 13.119 -18.001 1.00 0.00 C ATOM 447 C VAL A 29 6.363 13.754 -19.073 1.00 0.00 C ATOM 448 O VAL A 29 6.707 13.743 -20.254 1.00 0.00 O ATOM 449 CB VAL A 29 8.349 14.058 -17.500 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.402 14.298 -18.584 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.757 15.381 -17.008 1.00 0.00 C ATOM 0 H VAL A 29 8.777 12.013 -18.915 1.00 0.00 H new ATOM 0 HA VAL A 29 6.616 12.897 -17.143 1.00 0.00 H new ATOM 0 HB VAL A 29 8.842 13.577 -16.655 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.171 14.969 -18.202 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.857 13.348 -18.866 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.929 14.748 -19.457 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.559 16.030 -16.657 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.227 15.869 -17.826 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.063 15.187 -16.190 1.00 0.00 H new ATOM 461 N TYR A 30 5.239 14.291 -18.623 1.00 0.00 N ATOM 462 CA TYR A 30 4.300 14.930 -19.530 1.00 0.00 C ATOM 463 C TYR A 30 4.003 16.365 -19.091 1.00 0.00 C ATOM 464 O TYR A 30 3.724 16.615 -17.919 1.00 0.00 O ATOM 465 CB TYR A 30 3.012 14.108 -19.451 1.00 0.00 C ATOM 466 CG TYR A 30 3.078 12.773 -20.195 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.029 11.835 -19.847 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.188 12.507 -21.216 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.092 10.579 -20.548 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.250 11.250 -21.917 1.00 0.00 C ATOM 471 CZ TYR A 30 3.200 10.349 -21.549 1.00 0.00 C ATOM 472 OH TYR A 30 3.259 9.161 -22.210 1.00 0.00 O ATOM 0 H TYR A 30 4.957 14.297 -17.643 1.00 0.00 H new ATOM 0 HA TYR A 30 4.709 14.971 -20.540 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.779 13.917 -18.403 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.191 14.698 -19.858 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.726 12.043 -19.049 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.445 13.241 -21.489 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.831 9.836 -20.285 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.558 11.028 -22.716 1.00 0.00 H new ATOM 0 HH TYR A 30 2.562 9.135 -22.898 1.00 0.00 H new ATOM 482 N ASP A 31 4.073 17.272 -20.055 1.00 0.00 N ATOM 483 CA ASP A 31 3.815 18.675 -19.782 1.00 0.00 C ATOM 484 C ASP A 31 2.326 18.965 -19.983 1.00 0.00 C ATOM 485 O ASP A 31 1.923 19.452 -21.038 1.00 0.00 O ATOM 486 CB ASP A 31 4.605 19.576 -20.733 1.00 0.00 C ATOM 487 CG ASP A 31 4.348 21.075 -20.570 1.00 0.00 C ATOM 488 OD1 ASP A 31 3.167 21.465 -20.697 1.00 0.00 O ATOM 489 OD2 ASP A 31 5.337 21.797 -20.320 1.00 0.00 O ATOM 0 H ASP A 31 4.305 17.062 -21.026 1.00 0.00 H new ATOM 0 HA ASP A 31 4.119 18.880 -18.756 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.669 19.388 -20.587 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.368 19.292 -21.758 1.00 0.00 H new ATOM 494 N LEU A 32 1.551 18.652 -18.955 1.00 0.00 N ATOM 495 CA LEU A 32 0.116 18.872 -19.006 1.00 0.00 C ATOM 496 C LEU A 32 -0.201 20.270 -18.472 1.00 0.00 C ATOM 497 O LEU A 32 -1.310 20.524 -18.006 1.00 0.00 O ATOM 498 CB LEU A 32 -0.625 17.751 -18.275 1.00 0.00 C ATOM 499 CG LEU A 32 0.180 16.998 -17.213 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.745 16.369 -16.169 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.105 15.964 -17.857 1.00 0.00 C ATOM 0 H LEU A 32 1.890 18.248 -18.082 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.238 18.837 -20.036 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.509 18.176 -17.799 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.976 17.031 -19.015 1.00 0.00 H new ATOM 0 HG LEU A 32 0.814 17.715 -16.692 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.148 15.840 -15.426 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.325 17.151 -15.679 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.421 15.668 -16.658 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.665 15.443 -17.080 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.510 15.244 -18.420 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.799 16.466 -18.530 1.00 0.00 H new ATOM 513 N THR A 33 0.795 21.140 -18.556 1.00 0.00 N ATOM 514 CA THR A 33 0.636 22.506 -18.086 1.00 0.00 C ATOM 515 C THR A 33 -0.318 23.277 -18.999 1.00 0.00 C ATOM 516 O THR A 33 -0.857 24.312 -18.609 1.00 0.00 O ATOM 517 CB THR A 33 2.027 23.138 -17.990 1.00 0.00 C ATOM 518 OG1 THR A 33 1.888 24.132 -16.978 1.00 0.00 O ATOM 519 CG2 THR A 33 2.398 23.930 -19.244 1.00 0.00 C ATOM 0 H THR A 33 1.714 20.926 -18.942 1.00 0.00 H new ATOM 0 HA THR A 33 0.181 22.532 -17.096 1.00 0.00 H new ATOM 0 HB THR A 33 2.769 22.358 -17.822 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.302 24.967 -17.280 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.394 24.357 -19.123 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.390 23.267 -20.109 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.675 24.732 -19.395 1.00 0.00 H new ATOM 527 N LYS A 34 -0.500 22.743 -20.198 1.00 0.00 N ATOM 528 CA LYS A 34 -1.381 23.368 -21.171 1.00 0.00 C ATOM 529 C LYS A 34 -2.797 22.813 -21.000 1.00 0.00 C ATOM 530 O LYS A 34 -3.747 23.573 -20.824 1.00 0.00 O ATOM 531 CB LYS A 34 -0.822 23.201 -22.584 1.00 0.00 C ATOM 532 CG LYS A 34 -1.377 24.274 -23.524 1.00 0.00 C ATOM 533 CD LYS A 34 -0.494 25.523 -23.515 1.00 0.00 C ATOM 534 CE LYS A 34 -0.844 26.451 -24.679 1.00 0.00 C ATOM 535 NZ LYS A 34 -0.292 25.923 -25.947 1.00 0.00 N ATOM 0 H LYS A 34 -0.052 21.884 -20.518 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.436 24.443 -21.000 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.266 23.263 -22.558 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.076 22.212 -22.965 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.441 23.877 -24.537 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.390 24.539 -23.221 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.619 26.054 -22.572 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.554 25.232 -23.580 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.926 26.550 -24.760 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.446 27.448 -24.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.374 26.647 -26.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.709 25.676 -25.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.823 25.075 -26.230 1.00 0.00 H new ATOM 549 N PHE A 35 -2.891 21.493 -21.057 1.00 0.00 N ATOM 550 CA PHE A 35 -4.175 20.828 -20.911 1.00 0.00 C ATOM 551 C PHE A 35 -4.558 20.693 -19.436 1.00 0.00 C ATOM 552 O PHE A 35 -5.516 19.999 -19.100 1.00 0.00 O ATOM 553 CB PHE A 35 -4.026 19.430 -21.516 1.00 0.00 C ATOM 554 CG PHE A 35 -4.275 18.293 -20.524 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.373 18.041 -19.539 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.399 17.534 -20.627 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.603 16.985 -18.618 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.630 16.479 -19.706 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.728 16.226 -18.721 1.00 0.00 C ATOM 0 H PHE A 35 -2.100 20.866 -21.202 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.952 21.407 -21.409 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.721 19.330 -22.349 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.021 19.328 -21.925 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.481 18.644 -19.457 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.116 17.734 -21.410 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.886 16.784 -17.836 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.523 15.877 -19.788 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.904 15.423 -18.020 1.00 0.00 H new ATOM 569 N LEU A 36 -3.790 21.370 -18.593 1.00 0.00 N ATOM 570 CA LEU A 36 -4.037 21.334 -17.162 1.00 0.00 C ATOM 571 C LEU A 36 -5.472 21.786 -16.886 1.00 0.00 C ATOM 572 O LEU A 36 -6.162 21.200 -16.052 1.00 0.00 O ATOM 573 CB LEU A 36 -2.980 22.152 -16.416 1.00 0.00 C ATOM 574 CG LEU A 36 -2.424 21.521 -15.138 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.902 21.670 -15.070 1.00 0.00 C ATOM 576 CD2 LEU A 36 -3.112 22.095 -13.898 1.00 0.00 C ATOM 0 H LEU A 36 -2.997 21.946 -18.875 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.945 20.316 -16.784 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.149 22.341 -17.096 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.411 23.120 -16.162 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.642 20.453 -15.162 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.532 21.213 -14.152 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.449 21.175 -15.929 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.639 22.728 -15.080 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.698 21.629 -13.004 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.947 23.172 -13.856 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.182 21.894 -13.950 1.00 0.00 H new ATOM 588 N GLU A 37 -5.880 22.825 -17.600 1.00 0.00 N ATOM 589 CA GLU A 37 -7.221 23.362 -17.442 1.00 0.00 C ATOM 590 C GLU A 37 -8.238 22.469 -18.156 1.00 0.00 C ATOM 591 O GLU A 37 -9.400 22.406 -17.759 1.00 0.00 O ATOM 592 CB GLU A 37 -7.299 24.802 -17.954 1.00 0.00 C ATOM 593 CG GLU A 37 -8.329 25.610 -17.164 1.00 0.00 C ATOM 594 CD GLU A 37 -9.185 26.469 -18.098 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.585 27.120 -18.978 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.421 26.454 -17.907 1.00 0.00 O ATOM 0 H GLU A 37 -5.305 23.309 -18.290 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.463 23.376 -16.379 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.320 25.274 -17.872 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.565 24.802 -19.011 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.969 24.934 -16.597 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.820 26.248 -16.442 1.00 0.00 H new ATOM 603 N GLU A 38 -7.764 21.802 -19.198 1.00 0.00 N ATOM 604 CA GLU A 38 -8.617 20.916 -19.971 1.00 0.00 C ATOM 605 C GLU A 38 -8.741 19.559 -19.276 1.00 0.00 C ATOM 606 O GLU A 38 -9.438 18.669 -19.763 1.00 0.00 O ATOM 607 CB GLU A 38 -8.090 20.755 -21.398 1.00 0.00 C ATOM 608 CG GLU A 38 -8.501 21.941 -22.271 1.00 0.00 C ATOM 609 CD GLU A 38 -9.622 21.549 -23.237 1.00 0.00 C ATOM 610 OE1 GLU A 38 -9.363 20.659 -24.075 1.00 0.00 O ATOM 611 OE2 GLU A 38 -10.711 22.149 -23.114 1.00 0.00 O ATOM 0 H GLU A 38 -6.799 21.858 -19.525 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.610 21.362 -20.034 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.003 20.671 -21.381 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.475 19.831 -21.829 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.832 22.765 -21.639 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.639 22.298 -22.834 1.00 0.00 H new ATOM 618 N HIS A 39 -8.055 19.442 -18.148 1.00 0.00 N ATOM 619 CA HIS A 39 -8.081 18.209 -17.380 1.00 0.00 C ATOM 620 C HIS A 39 -9.231 18.254 -16.373 1.00 0.00 C ATOM 621 O HIS A 39 -9.398 19.243 -15.660 1.00 0.00 O ATOM 622 CB HIS A 39 -6.724 17.950 -16.721 1.00 0.00 C ATOM 623 CG HIS A 39 -6.614 16.604 -16.047 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.418 16.461 -14.686 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.678 15.342 -16.563 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.365 15.167 -14.404 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.526 14.476 -15.569 1.00 0.00 N ATOM 0 H HIS A 39 -7.478 20.181 -17.748 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.262 17.366 -18.047 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.943 18.031 -17.477 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.535 18.730 -15.984 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.329 17.222 -14.013 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.827 15.091 -17.603 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.220 14.736 -13.425 1.00 0.00 H new ATOM 635 N PRO A 40 -10.014 17.143 -16.344 1.00 0.00 N ATOM 636 CA PRO A 40 -11.143 17.047 -15.435 1.00 0.00 C ATOM 637 C PRO A 40 -10.674 16.796 -14.001 1.00 0.00 C ATOM 638 O PRO A 40 -11.423 17.015 -13.050 1.00 0.00 O ATOM 639 CB PRO A 40 -11.998 15.918 -15.986 1.00 0.00 C ATOM 640 CG PRO A 40 -11.090 15.120 -16.908 1.00 0.00 C ATOM 641 CD PRO A 40 -9.846 15.953 -17.173 1.00 0.00 C ATOM 0 HA PRO A 40 -11.716 17.972 -15.379 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.385 15.293 -15.181 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.859 16.309 -16.528 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.822 14.168 -16.449 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.602 14.890 -17.843 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.940 15.409 -16.906 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.761 16.214 -18.228 1.00 0.00 H new ATOM 649 N GLY A 41 -9.435 16.339 -13.890 1.00 0.00 N ATOM 650 CA GLY A 41 -8.856 16.055 -12.587 1.00 0.00 C ATOM 651 C GLY A 41 -8.896 17.292 -11.688 1.00 0.00 C ATOM 652 O GLY A 41 -9.790 17.429 -10.854 1.00 0.00 O ATOM 0 H GLY A 41 -8.816 16.158 -14.680 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.401 15.239 -12.113 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.825 15.722 -12.708 1.00 0.00 H new ATOM 656 N GLY A 42 -7.916 18.161 -11.886 1.00 0.00 N ATOM 657 CA GLY A 42 -7.828 19.382 -11.104 1.00 0.00 C ATOM 658 C GLY A 42 -6.701 20.281 -11.615 1.00 0.00 C ATOM 659 O GLY A 42 -6.226 20.109 -12.736 1.00 0.00 O ATOM 0 H GLY A 42 -7.175 18.043 -12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.776 19.918 -11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.655 19.135 -10.057 1.00 0.00 H new ATOM 663 N GLU A 43 -6.307 21.221 -10.769 1.00 0.00 N ATOM 664 CA GLU A 43 -5.245 22.148 -11.120 1.00 0.00 C ATOM 665 C GLU A 43 -4.074 22.009 -10.144 1.00 0.00 C ATOM 666 O GLU A 43 -2.984 22.518 -10.401 1.00 0.00 O ATOM 667 CB GLU A 43 -5.762 23.587 -11.156 1.00 0.00 C ATOM 668 CG GLU A 43 -4.627 24.584 -10.910 1.00 0.00 C ATOM 669 CD GLU A 43 -5.155 26.019 -10.879 1.00 0.00 C ATOM 670 OE1 GLU A 43 -5.562 26.451 -9.779 1.00 0.00 O ATOM 671 OE2 GLU A 43 -5.141 26.653 -11.957 1.00 0.00 O ATOM 0 H GLU A 43 -6.705 21.361 -9.840 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.890 21.900 -12.120 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.224 23.787 -12.123 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.536 23.718 -10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.134 24.354 -9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.876 24.486 -11.694 1.00 0.00 H new ATOM 678 N GLU A 44 -4.341 21.318 -9.046 1.00 0.00 N ATOM 679 CA GLU A 44 -3.323 21.106 -8.030 1.00 0.00 C ATOM 680 C GLU A 44 -2.944 19.626 -7.959 1.00 0.00 C ATOM 681 O GLU A 44 -1.825 19.286 -7.576 1.00 0.00 O ATOM 682 CB GLU A 44 -3.794 21.617 -6.667 1.00 0.00 C ATOM 683 CG GLU A 44 -5.081 20.912 -6.232 1.00 0.00 C ATOM 684 CD GLU A 44 -6.311 21.755 -6.575 1.00 0.00 C ATOM 685 OE1 GLU A 44 -6.667 22.609 -5.734 1.00 0.00 O ATOM 686 OE2 GLU A 44 -6.867 21.526 -7.672 1.00 0.00 O ATOM 0 H GLU A 44 -5.247 20.898 -8.837 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.436 21.675 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.015 21.451 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.963 22.693 -6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.152 19.942 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.052 20.724 -5.159 1.00 0.00 H new ATOM 693 N VAL A 45 -3.897 18.785 -8.335 1.00 0.00 N ATOM 694 CA VAL A 45 -3.676 17.350 -8.319 1.00 0.00 C ATOM 695 C VAL A 45 -2.567 16.997 -9.313 1.00 0.00 C ATOM 696 O VAL A 45 -1.671 16.215 -8.998 1.00 0.00 O ATOM 697 CB VAL A 45 -4.988 16.616 -8.602 1.00 0.00 C ATOM 698 CG1 VAL A 45 -5.912 17.463 -9.479 1.00 0.00 C ATOM 699 CG2 VAL A 45 -4.727 15.250 -9.241 1.00 0.00 C ATOM 0 H VAL A 45 -4.823 19.071 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.343 17.026 -7.333 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.490 16.449 -7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.837 16.918 -9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.139 18.400 -8.970 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.419 17.676 -10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.677 14.750 -9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.193 15.384 -10.181 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.126 14.641 -8.566 1.00 0.00 H new ATOM 709 N LEU A 46 -2.665 17.590 -10.494 1.00 0.00 N ATOM 710 CA LEU A 46 -1.681 17.348 -11.536 1.00 0.00 C ATOM 711 C LEU A 46 -0.299 17.775 -11.037 1.00 0.00 C ATOM 712 O LEU A 46 0.622 16.962 -10.977 1.00 0.00 O ATOM 713 CB LEU A 46 -2.102 18.032 -12.839 1.00 0.00 C ATOM 714 CG LEU A 46 -3.603 18.036 -13.139 1.00 0.00 C ATOM 715 CD1 LEU A 46 -3.877 18.542 -14.557 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.216 16.657 -12.893 1.00 0.00 C ATOM 0 H LEU A 46 -3.410 18.237 -10.752 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.623 16.284 -11.765 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.754 19.065 -12.813 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.587 17.543 -13.666 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.087 18.729 -12.451 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.951 18.535 -14.745 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.497 19.558 -14.660 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.378 17.894 -15.277 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.283 16.688 -13.114 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.733 15.924 -13.539 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.069 16.374 -11.851 1.00 0.00 H new ATOM 728 N ARG A 47 -0.199 19.050 -10.689 1.00 0.00 N ATOM 729 CA ARG A 47 1.055 19.595 -10.197 1.00 0.00 C ATOM 730 C ARG A 47 1.439 18.930 -8.874 1.00 0.00 C ATOM 731 O ARG A 47 2.615 18.878 -8.519 1.00 0.00 O ATOM 732 CB ARG A 47 0.955 21.107 -9.990 1.00 0.00 C ATOM 733 CG ARG A 47 -0.311 21.471 -9.211 1.00 0.00 C ATOM 734 CD ARG A 47 -0.216 22.888 -8.641 1.00 0.00 C ATOM 735 NE ARG A 47 0.322 22.842 -7.262 1.00 0.00 N ATOM 736 CZ ARG A 47 0.742 23.919 -6.584 1.00 0.00 C ATOM 737 NH1 ARG A 47 0.688 25.132 -7.151 1.00 0.00 N ATOM 738 NH2 ARG A 47 1.214 23.783 -5.337 1.00 0.00 N ATOM 0 H ARG A 47 -0.966 19.721 -10.738 1.00 0.00 H new ATOM 0 HA ARG A 47 1.821 19.393 -10.945 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.833 21.463 -9.451 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.949 21.610 -10.957 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.179 21.396 -9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.461 20.758 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.428 23.501 -9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.200 23.356 -8.641 1.00 0.00 H new ATOM 0 HE ARG A 47 0.376 21.934 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.327 25.236 -8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.008 25.951 -6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.253 22.860 -4.904 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.534 24.602 -4.821 1.00 0.00 H new ATOM 752 N GLU A 48 0.424 18.439 -8.179 1.00 0.00 N ATOM 753 CA GLU A 48 0.640 17.779 -6.902 1.00 0.00 C ATOM 754 C GLU A 48 1.803 16.790 -7.006 1.00 0.00 C ATOM 755 O GLU A 48 2.503 16.545 -6.025 1.00 0.00 O ATOM 756 CB GLU A 48 -0.633 17.080 -6.423 1.00 0.00 C ATOM 757 CG GLU A 48 -1.042 17.575 -5.035 1.00 0.00 C ATOM 758 CD GLU A 48 -1.334 19.077 -5.053 1.00 0.00 C ATOM 759 OE1 GLU A 48 -0.366 19.846 -4.862 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.517 19.424 -5.256 1.00 0.00 O ATOM 0 H GLU A 48 -0.551 18.485 -8.476 1.00 0.00 H new ATOM 0 HA GLU A 48 0.898 18.537 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.441 17.264 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.472 16.002 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.925 17.033 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.246 17.364 -4.321 1.00 0.00 H new ATOM 767 N GLN A 49 1.973 16.249 -8.203 1.00 0.00 N ATOM 768 CA GLN A 49 3.039 15.293 -8.448 1.00 0.00 C ATOM 769 C GLN A 49 4.034 15.856 -9.465 1.00 0.00 C ATOM 770 O GLN A 49 4.639 15.104 -10.228 1.00 0.00 O ATOM 771 CB GLN A 49 2.474 13.951 -8.919 1.00 0.00 C ATOM 772 CG GLN A 49 1.718 13.248 -7.790 1.00 0.00 C ATOM 773 CD GLN A 49 2.637 12.982 -6.597 1.00 0.00 C ATOM 774 OE1 GLN A 49 3.297 11.960 -6.503 1.00 0.00 O ATOM 775 NE2 GLN A 49 2.644 13.956 -5.691 1.00 0.00 N ATOM 0 H GLN A 49 1.390 16.455 -9.014 1.00 0.00 H new ATOM 0 HA GLN A 49 3.567 15.119 -7.510 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.805 14.111 -9.765 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.286 13.314 -9.270 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.875 13.863 -7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.307 12.306 -8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.068 14.786 -5.830 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.226 13.873 -4.857 1.00 0.00 H new ATOM 784 N ALA A 50 4.173 17.173 -9.442 1.00 0.00 N ATOM 785 CA ALA A 50 5.085 17.845 -10.352 1.00 0.00 C ATOM 786 C ALA A 50 6.472 17.927 -9.711 1.00 0.00 C ATOM 787 O ALA A 50 7.053 19.006 -9.615 1.00 0.00 O ATOM 788 CB ALA A 50 4.525 19.224 -10.709 1.00 0.00 C ATOM 0 H ALA A 50 3.669 17.793 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 50 5.185 17.282 -11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.209 19.729 -11.392 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.553 19.109 -11.188 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.414 19.818 -9.802 1.00 0.00 H new ATOM 794 N GLY A 51 6.961 16.770 -9.286 1.00 0.00 N ATOM 795 CA GLY A 51 8.268 16.697 -8.657 1.00 0.00 C ATOM 796 C GLY A 51 8.711 15.243 -8.480 1.00 0.00 C ATOM 797 O GLY A 51 9.897 14.935 -8.583 1.00 0.00 O ATOM 0 H GLY A 51 6.475 15.877 -9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.998 17.232 -9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.237 17.192 -7.686 1.00 0.00 H new ATOM 801 N GLY A 52 7.734 14.389 -8.218 1.00 0.00 N ATOM 802 CA GLY A 52 8.008 12.974 -8.028 1.00 0.00 C ATOM 803 C GLY A 52 7.361 12.136 -9.132 1.00 0.00 C ATOM 804 O GLY A 52 7.476 12.463 -10.312 1.00 0.00 O ATOM 0 H GLY A 52 6.751 14.649 -8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.085 12.806 -8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.631 12.655 -7.056 1.00 0.00 H new ATOM 808 N ASP A 53 6.695 11.071 -8.709 1.00 0.00 N ATOM 809 CA ASP A 53 6.029 10.184 -9.647 1.00 0.00 C ATOM 810 C ASP A 53 4.514 10.344 -9.507 1.00 0.00 C ATOM 811 O ASP A 53 3.961 10.133 -8.430 1.00 0.00 O ATOM 812 CB ASP A 53 6.379 8.721 -9.365 1.00 0.00 C ATOM 813 CG ASP A 53 6.458 8.351 -7.883 1.00 0.00 C ATOM 814 OD1 ASP A 53 7.254 9.006 -7.176 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.722 7.420 -7.490 1.00 0.00 O ATOM 0 H ASP A 53 6.603 10.803 -7.729 1.00 0.00 H new ATOM 0 HA ASP A 53 6.360 10.447 -10.652 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.634 8.086 -9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.338 8.496 -9.832 1.00 0.00 H new ATOM 820 N ALA A 54 3.886 10.715 -10.614 1.00 0.00 N ATOM 821 CA ALA A 54 2.445 10.906 -10.628 1.00 0.00 C ATOM 822 C ALA A 54 1.772 9.635 -11.149 1.00 0.00 C ATOM 823 O ALA A 54 0.570 9.447 -10.971 1.00 0.00 O ATOM 824 CB ALA A 54 2.101 12.135 -11.471 1.00 0.00 C ATOM 0 H ALA A 54 4.348 10.888 -11.507 1.00 0.00 H new ATOM 0 HA ALA A 54 2.072 11.087 -9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.020 12.278 -11.481 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.580 13.016 -11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.457 11.988 -12.491 1.00 0.00 H new ATOM 830 N THR A 55 2.577 8.793 -11.781 1.00 0.00 N ATOM 831 CA THR A 55 2.075 7.545 -12.329 1.00 0.00 C ATOM 832 C THR A 55 1.253 6.794 -11.278 1.00 0.00 C ATOM 833 O THR A 55 0.325 6.062 -11.619 1.00 0.00 O ATOM 834 CB THR A 55 3.268 6.744 -12.854 1.00 0.00 C ATOM 835 OG1 THR A 55 2.768 5.415 -12.976 1.00 0.00 O ATOM 836 CG2 THR A 55 4.392 6.625 -11.822 1.00 0.00 C ATOM 0 H THR A 55 3.574 8.951 -11.926 1.00 0.00 H new ATOM 0 HA THR A 55 1.395 7.724 -13.162 1.00 0.00 H new ATOM 0 HB THR A 55 3.652 7.216 -13.758 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.477 4.828 -13.312 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.214 6.048 -12.245 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.747 7.620 -11.555 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.016 6.122 -10.931 1.00 0.00 H new ATOM 844 N GLU A 56 1.624 7.002 -10.024 1.00 0.00 N ATOM 845 CA GLU A 56 0.933 6.355 -8.922 1.00 0.00 C ATOM 846 C GLU A 56 -0.470 6.943 -8.757 1.00 0.00 C ATOM 847 O GLU A 56 -1.439 6.205 -8.583 1.00 0.00 O ATOM 848 CB GLU A 56 1.735 6.476 -7.625 1.00 0.00 C ATOM 849 CG GLU A 56 2.430 7.835 -7.535 1.00 0.00 C ATOM 850 CD GLU A 56 2.484 8.330 -6.088 1.00 0.00 C ATOM 851 OE1 GLU A 56 3.368 7.840 -5.353 1.00 0.00 O ATOM 852 OE2 GLU A 56 1.639 9.187 -5.749 1.00 0.00 O ATOM 0 H GLU A 56 2.395 7.610 -9.746 1.00 0.00 H new ATOM 0 HA GLU A 56 0.836 5.294 -9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.072 6.345 -6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.478 5.680 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.441 7.757 -7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.899 8.560 -8.151 1.00 0.00 H new ATOM 859 N ASN A 57 -0.534 8.264 -8.816 1.00 0.00 N ATOM 860 CA ASN A 57 -1.802 8.959 -8.675 1.00 0.00 C ATOM 861 C ASN A 57 -2.545 8.931 -10.012 1.00 0.00 C ATOM 862 O ASN A 57 -3.774 8.897 -10.043 1.00 0.00 O ATOM 863 CB ASN A 57 -1.587 10.423 -8.283 1.00 0.00 C ATOM 864 CG ASN A 57 -1.552 10.583 -6.762 1.00 0.00 C ATOM 865 OD1 ASN A 57 -0.983 9.783 -6.039 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.192 11.661 -6.318 1.00 0.00 N ATOM 0 H ASN A 57 0.272 8.872 -8.960 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.377 8.458 -7.896 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.653 10.785 -8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.387 11.036 -8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.227 11.858 -5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.648 12.291 -6.978 1.00 0.00 H new ATOM 873 N PHE A 58 -1.768 8.948 -11.084 1.00 0.00 N ATOM 874 CA PHE A 58 -2.338 8.925 -12.422 1.00 0.00 C ATOM 875 C PHE A 58 -2.966 7.564 -12.726 1.00 0.00 C ATOM 876 O PHE A 58 -4.031 7.490 -13.340 1.00 0.00 O ATOM 877 CB PHE A 58 -1.190 9.174 -13.401 1.00 0.00 C ATOM 878 CG PHE A 58 -1.544 8.887 -14.862 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.769 7.609 -15.269 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.635 9.910 -15.753 1.00 0.00 C ATOM 881 CE1 PHE A 58 -2.097 7.342 -16.624 1.00 0.00 C ATOM 882 CE2 PHE A 58 -1.965 9.644 -17.109 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.188 8.365 -17.516 1.00 0.00 C ATOM 0 H PHE A 58 -0.749 8.977 -11.055 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.117 9.682 -12.508 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.870 10.212 -13.313 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.341 8.553 -13.115 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.698 6.797 -14.561 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.456 10.925 -15.430 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.274 6.327 -16.947 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.039 10.457 -17.816 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.437 8.162 -18.547 1.00 0.00 H new ATOM 893 N GLU A 59 -2.282 6.519 -12.285 1.00 0.00 N ATOM 894 CA GLU A 59 -2.759 5.164 -12.503 1.00 0.00 C ATOM 895 C GLU A 59 -3.872 4.827 -11.508 1.00 0.00 C ATOM 896 O GLU A 59 -4.651 3.904 -11.733 1.00 0.00 O ATOM 897 CB GLU A 59 -1.613 4.156 -12.405 1.00 0.00 C ATOM 898 CG GLU A 59 -1.185 3.952 -10.950 1.00 0.00 C ATOM 899 CD GLU A 59 -2.144 3.008 -10.224 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.552 2.012 -10.860 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.449 3.302 -9.048 1.00 0.00 O ATOM 0 H GLU A 59 -1.400 6.583 -11.777 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.168 5.102 -13.511 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.924 3.203 -12.833 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.764 4.507 -12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.174 3.545 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.157 4.913 -10.437 1.00 0.00 H new ATOM 908 N ASP A 60 -3.910 5.595 -10.429 1.00 0.00 N ATOM 909 CA ASP A 60 -4.914 5.390 -9.400 1.00 0.00 C ATOM 910 C ASP A 60 -6.306 5.587 -10.003 1.00 0.00 C ATOM 911 O ASP A 60 -7.165 4.714 -9.891 1.00 0.00 O ATOM 912 CB ASP A 60 -4.748 6.396 -8.258 1.00 0.00 C ATOM 913 CG ASP A 60 -6.000 6.625 -7.410 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.620 5.609 -7.029 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.308 7.810 -7.161 1.00 0.00 O ATOM 0 H ASP A 60 -3.261 6.360 -10.245 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.794 4.379 -9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.944 6.054 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.433 7.351 -8.678 1.00 0.00 H new ATOM 920 N VAL A 61 -6.486 6.740 -10.632 1.00 0.00 N ATOM 921 CA VAL A 61 -7.758 7.063 -11.254 1.00 0.00 C ATOM 922 C VAL A 61 -7.987 6.135 -12.449 1.00 0.00 C ATOM 923 O VAL A 61 -9.107 6.020 -12.945 1.00 0.00 O ATOM 924 CB VAL A 61 -7.794 8.545 -11.632 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.429 9.017 -12.136 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.887 8.821 -12.667 1.00 0.00 C ATOM 0 H VAL A 61 -5.771 7.462 -10.724 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.578 6.900 -10.554 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.033 9.113 -10.733 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.483 10.074 -12.398 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.683 8.875 -11.354 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.147 8.439 -13.016 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.891 9.882 -12.918 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.693 8.236 -13.566 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.857 8.542 -12.255 1.00 0.00 H new ATOM 936 N GLY A 62 -6.907 5.499 -12.879 1.00 0.00 N ATOM 937 CA GLY A 62 -6.975 4.586 -14.006 1.00 0.00 C ATOM 938 C GLY A 62 -7.325 5.331 -15.296 1.00 0.00 C ATOM 939 O GLY A 62 -8.479 5.337 -15.720 1.00 0.00 O ATOM 0 H GLY A 62 -5.980 5.599 -12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.018 4.077 -14.124 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.723 3.818 -13.811 1.00 0.00 H new ATOM 943 N HIS A 63 -6.307 5.942 -15.882 1.00 0.00 N ATOM 944 CA HIS A 63 -6.492 6.690 -17.115 1.00 0.00 C ATOM 945 C HIS A 63 -6.668 5.718 -18.283 1.00 0.00 C ATOM 946 O HIS A 63 -5.989 4.695 -18.352 1.00 0.00 O ATOM 947 CB HIS A 63 -5.342 7.675 -17.331 1.00 0.00 C ATOM 948 CG HIS A 63 -5.386 8.879 -16.421 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.712 8.931 -15.214 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.028 10.075 -16.556 1.00 0.00 C ATOM 951 CE1 HIS A 63 -4.946 10.110 -14.654 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.763 10.817 -15.487 1.00 0.00 N ATOM 0 H HIS A 63 -5.351 5.935 -15.527 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.399 7.291 -17.048 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.397 7.153 -17.181 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.357 8.014 -18.367 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.133 8.188 -14.821 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.647 10.369 -17.391 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.558 10.451 -13.705 1.00 0.00 H new ATOM 960 N SER A 64 -7.583 6.072 -19.174 1.00 0.00 N ATOM 961 CA SER A 64 -7.856 5.243 -20.335 1.00 0.00 C ATOM 962 C SER A 64 -6.622 5.181 -21.236 1.00 0.00 C ATOM 963 O SER A 64 -5.670 5.936 -21.044 1.00 0.00 O ATOM 964 CB SER A 64 -9.058 5.773 -21.119 1.00 0.00 C ATOM 965 OG SER A 64 -10.282 5.587 -20.412 1.00 0.00 O ATOM 0 H SER A 64 -8.144 6.922 -19.115 1.00 0.00 H new ATOM 0 HA SER A 64 -8.096 4.238 -19.988 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.917 6.834 -21.326 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.115 5.265 -22.082 1.00 0.00 H new ATOM 0 HG SER A 64 -11.025 5.940 -20.945 1.00 0.00 H new ATOM 971 N THR A 65 -6.676 4.274 -22.200 1.00 0.00 N ATOM 972 CA THR A 65 -5.574 4.103 -23.131 1.00 0.00 C ATOM 973 C THR A 65 -5.548 5.249 -24.144 1.00 0.00 C ATOM 974 O THR A 65 -4.579 5.406 -24.885 1.00 0.00 O ATOM 975 CB THR A 65 -5.711 2.723 -23.779 1.00 0.00 C ATOM 976 OG1 THR A 65 -4.554 2.610 -24.602 1.00 0.00 O ATOM 977 CG2 THR A 65 -6.878 2.653 -24.765 1.00 0.00 C ATOM 0 H THR A 65 -7.467 3.649 -22.357 1.00 0.00 H new ATOM 0 HA THR A 65 -4.614 4.143 -22.617 1.00 0.00 H new ATOM 0 HB THR A 65 -5.846 1.969 -23.003 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.276 3.501 -24.900 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.931 1.653 -25.196 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.809 2.872 -24.243 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.727 3.383 -25.560 1.00 0.00 H new ATOM 985 N ASP A 66 -6.625 6.022 -24.142 1.00 0.00 N ATOM 986 CA ASP A 66 -6.737 7.150 -25.051 1.00 0.00 C ATOM 987 C ASP A 66 -6.077 8.376 -24.420 1.00 0.00 C ATOM 988 O ASP A 66 -6.015 9.439 -25.037 1.00 0.00 O ATOM 989 CB ASP A 66 -8.204 7.491 -25.325 1.00 0.00 C ATOM 990 CG ASP A 66 -8.868 8.381 -24.274 1.00 0.00 C ATOM 991 OD1 ASP A 66 -8.550 8.186 -23.081 1.00 0.00 O ATOM 992 OD2 ASP A 66 -9.679 9.239 -24.687 1.00 0.00 O ATOM 0 H ASP A 66 -7.427 5.889 -23.526 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.248 6.880 -25.987 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.271 7.986 -26.294 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.769 6.562 -25.402 1.00 0.00 H new ATOM 997 N VAL A 67 -5.600 8.189 -23.199 1.00 0.00 N ATOM 998 CA VAL A 67 -4.946 9.267 -22.476 1.00 0.00 C ATOM 999 C VAL A 67 -3.476 9.338 -22.896 1.00 0.00 C ATOM 1000 O VAL A 67 -2.917 10.425 -23.029 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.128 9.076 -20.970 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.786 9.152 -20.241 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -6.119 10.095 -20.404 1.00 0.00 C ATOM 0 H VAL A 67 -5.653 7.306 -22.691 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.403 10.225 -22.725 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.541 8.081 -20.806 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.944 9.013 -19.172 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.124 8.370 -20.614 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.331 10.127 -20.417 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.230 9.937 -19.331 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.748 11.104 -20.586 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.086 9.971 -20.891 1.00 0.00 H new ATOM 1013 N ARG A 68 -2.893 8.164 -23.092 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.499 8.080 -23.494 1.00 0.00 C ATOM 1015 C ARG A 68 -1.302 8.723 -24.868 1.00 0.00 C ATOM 1016 O ARG A 68 -0.214 9.202 -25.183 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.029 6.624 -23.548 1.00 0.00 C ATOM 1018 CG ARG A 68 0.480 6.544 -23.787 1.00 0.00 C ATOM 1019 CD ARG A 68 0.853 5.246 -24.507 1.00 0.00 C ATOM 1020 NE ARG A 68 1.842 5.523 -25.571 1.00 0.00 N ATOM 1021 CZ ARG A 68 2.027 4.745 -26.646 1.00 0.00 C ATOM 1022 NH1 ARG A 68 1.290 3.637 -26.806 1.00 0.00 N ATOM 1023 NH2 ARG A 68 2.948 5.075 -27.561 1.00 0.00 N ATOM 0 H ARG A 68 -3.360 7.264 -22.980 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.907 8.615 -22.751 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.280 6.122 -22.614 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.555 6.097 -24.344 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.804 7.399 -24.380 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.006 6.600 -22.834 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.264 4.531 -23.795 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.039 4.790 -24.938 1.00 0.00 H new ATOM 0 HE ARG A 68 2.420 6.359 -25.481 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.588 3.386 -26.109 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.431 3.045 -27.624 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.508 5.919 -27.439 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.089 4.483 -28.379 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.372 8.713 -25.649 1.00 0.00 N ATOM 1038 CA GLU A 69 -2.331 9.290 -26.981 1.00 0.00 C ATOM 1039 C GLU A 69 -2.754 10.760 -26.938 1.00 0.00 C ATOM 1040 O GLU A 69 -2.237 11.581 -27.694 1.00 0.00 O ATOM 1041 CB GLU A 69 -3.208 8.496 -27.951 1.00 0.00 C ATOM 1042 CG GLU A 69 -4.686 8.607 -27.569 1.00 0.00 C ATOM 1043 CD GLU A 69 -5.541 7.654 -28.406 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -5.085 6.508 -28.606 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -6.634 8.093 -28.827 1.00 0.00 O ATOM 0 H GLU A 69 -3.273 8.314 -25.384 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.305 9.238 -27.345 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.062 8.866 -28.966 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.905 7.449 -27.947 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.810 8.378 -26.511 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.027 9.632 -27.716 1.00 0.00 H new ATOM 1052 N LEU A 70 -3.689 11.047 -26.045 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.188 12.403 -25.892 1.00 0.00 C ATOM 1054 C LEU A 70 -3.005 13.368 -25.796 1.00 0.00 C ATOM 1055 O LEU A 70 -2.897 14.304 -26.587 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.150 12.490 -24.706 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.603 12.828 -25.043 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.720 14.248 -25.601 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.202 11.789 -25.994 1.00 0.00 C ATOM 0 H LEU A 70 -4.115 10.363 -25.419 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.770 12.696 -26.766 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.133 11.536 -24.179 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.774 13.243 -24.014 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.184 12.794 -24.121 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.763 14.463 -25.832 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.358 14.961 -24.860 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.122 14.333 -26.508 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.236 12.053 -26.217 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.625 11.767 -26.919 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.172 10.806 -25.524 1.00 0.00 H new ATOM 1071 N SER A 71 -2.147 13.108 -24.819 1.00 0.00 N ATOM 1072 CA SER A 71 -0.977 13.943 -24.610 1.00 0.00 C ATOM 1073 C SER A 71 0.138 13.533 -25.576 1.00 0.00 C ATOM 1074 O SER A 71 1.130 12.933 -25.165 1.00 0.00 O ATOM 1075 CB SER A 71 -0.487 13.851 -23.164 1.00 0.00 C ATOM 1076 OG SER A 71 -0.128 12.520 -22.805 1.00 0.00 O ATOM 0 H SER A 71 -2.239 12.331 -24.164 1.00 0.00 H new ATOM 0 HA SER A 71 -1.256 14.978 -24.806 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.373 14.507 -23.031 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.268 14.209 -22.493 1.00 0.00 H new ATOM 0 HG SER A 71 0.845 12.418 -22.859 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.063 13.873 -26.840 1.00 0.00 N ATOM 1083 CA LYS A 72 0.912 13.547 -27.867 1.00 0.00 C ATOM 1084 C LYS A 72 1.903 14.704 -28.007 1.00 0.00 C ATOM 1085 O LYS A 72 3.115 14.497 -27.956 1.00 0.00 O ATOM 1086 CB LYS A 72 0.210 13.177 -29.175 1.00 0.00 C ATOM 1087 CG LYS A 72 0.304 11.674 -29.441 1.00 0.00 C ATOM 1088 CD LYS A 72 0.706 11.398 -30.892 1.00 0.00 C ATOM 1089 CE LYS A 72 2.218 11.549 -31.081 1.00 0.00 C ATOM 1090 NZ LYS A 72 2.520 12.092 -32.422 1.00 0.00 N ATOM 0 H LYS A 72 -0.887 14.371 -27.177 1.00 0.00 H new ATOM 0 HA LYS A 72 1.487 12.666 -27.581 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.837 13.477 -29.127 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.661 13.725 -30.002 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.034 11.227 -28.766 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.656 11.203 -29.230 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.400 10.390 -31.172 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.182 12.086 -31.555 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.622 12.211 -30.315 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.705 10.582 -30.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.549 12.188 -32.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.152 11.446 -33.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.072 13.024 -32.528 1.00 0.00 H new ATOM 1104 N THR A 73 1.352 15.896 -28.181 1.00 0.00 N ATOM 1105 CA THR A 73 2.173 17.086 -28.329 1.00 0.00 C ATOM 1106 C THR A 73 2.641 17.584 -26.961 1.00 0.00 C ATOM 1107 O THR A 73 3.772 18.048 -26.818 1.00 0.00 O ATOM 1108 CB THR A 73 1.365 18.124 -29.110 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.313 17.600 -30.435 1.00 0.00 O ATOM 1110 CG2 THR A 73 2.110 19.451 -29.264 1.00 0.00 C ATOM 0 H THR A 73 0.347 16.064 -28.223 1.00 0.00 H new ATOM 0 HA THR A 73 3.082 16.872 -28.890 1.00 0.00 H new ATOM 0 HB THR A 73 0.414 18.297 -28.606 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.805 18.211 -31.009 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.492 20.152 -29.826 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.324 19.865 -28.278 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.045 19.283 -29.798 1.00 0.00 H new ATOM 1118 N TYR A 74 1.748 17.472 -25.988 1.00 0.00 N ATOM 1119 CA TYR A 74 2.055 17.906 -24.637 1.00 0.00 C ATOM 1120 C TYR A 74 3.311 17.208 -24.108 1.00 0.00 C ATOM 1121 O TYR A 74 4.088 17.801 -23.363 1.00 0.00 O ATOM 1122 CB TYR A 74 0.858 17.493 -23.779 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.446 18.202 -24.149 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.415 19.494 -24.635 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.653 17.551 -23.996 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.643 20.161 -24.983 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.881 18.218 -24.343 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.816 19.490 -24.820 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.974 20.121 -25.149 1.00 0.00 O ATOM 0 H TYR A 74 0.811 17.087 -26.110 1.00 0.00 H new ATOM 0 HA TYR A 74 2.237 18.980 -24.612 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.713 16.417 -23.870 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.086 17.697 -22.733 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.530 20.004 -24.754 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.677 16.540 -23.616 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.633 21.171 -25.365 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.832 17.720 -24.227 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.732 19.522 -24.982 1.00 0.00 H new ATOM 1139 N ILE A 75 3.469 15.957 -24.517 1.00 0.00 N ATOM 1140 CA ILE A 75 4.617 15.172 -24.095 1.00 0.00 C ATOM 1141 C ILE A 75 5.874 16.041 -24.157 1.00 0.00 C ATOM 1142 O ILE A 75 6.040 16.835 -25.081 1.00 0.00 O ATOM 1143 CB ILE A 75 4.717 13.885 -24.917 1.00 0.00 C ATOM 1144 CG1 ILE A 75 3.971 12.738 -24.233 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.177 13.530 -25.202 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.808 12.136 -23.103 1.00 0.00 C ATOM 0 H ILE A 75 2.822 15.468 -25.136 1.00 0.00 H new ATOM 0 HA ILE A 75 4.501 14.853 -23.059 1.00 0.00 H new ATOM 0 HB ILE A 75 4.233 14.055 -25.879 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.024 13.102 -23.835 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.733 11.966 -24.965 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.221 12.612 -25.787 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.646 14.340 -25.761 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.707 13.386 -24.260 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.254 11.323 -22.634 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.744 11.751 -23.509 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.023 12.904 -22.360 1.00 0.00 H new ATOM 1158 N ILE A 76 6.729 15.861 -23.160 1.00 0.00 N ATOM 1159 CA ILE A 76 7.967 16.619 -23.089 1.00 0.00 C ATOM 1160 C ILE A 76 9.135 15.717 -23.491 1.00 0.00 C ATOM 1161 O ILE A 76 9.993 16.118 -24.274 1.00 0.00 O ATOM 1162 CB ILE A 76 8.128 17.254 -21.707 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.223 16.551 -20.904 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.794 17.281 -20.957 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.716 17.435 -19.757 1.00 0.00 C ATOM 0 H ILE A 76 6.589 15.201 -22.395 1.00 0.00 H new ATOM 0 HA ILE A 76 7.947 17.449 -23.795 1.00 0.00 H new ATOM 0 HB ILE A 76 8.443 18.289 -21.842 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.840 15.612 -20.505 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.057 16.302 -21.560 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.936 17.737 -19.977 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.068 17.862 -21.526 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.426 16.263 -20.833 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.494 16.911 -19.202 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.121 18.363 -20.161 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.885 17.662 -19.089 1.00 0.00 H new ATOM 1177 N GLY A 77 9.130 14.513 -22.936 1.00 0.00 N ATOM 1178 CA GLY A 77 10.179 13.551 -23.227 1.00 0.00 C ATOM 1179 C GLY A 77 10.294 12.511 -22.110 1.00 0.00 C ATOM 1180 O GLY A 77 9.402 11.684 -21.933 1.00 0.00 O ATOM 0 H GLY A 77 8.416 14.182 -22.287 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.968 13.052 -24.173 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.130 14.070 -23.345 1.00 0.00 H new ATOM 1184 N GLU A 78 11.401 12.589 -21.385 1.00 0.00 N ATOM 1185 CA GLU A 78 11.644 11.665 -20.290 1.00 0.00 C ATOM 1186 C GLU A 78 12.839 12.134 -19.456 1.00 0.00 C ATOM 1187 O GLU A 78 13.950 12.251 -19.969 1.00 0.00 O ATOM 1188 CB GLU A 78 11.864 10.243 -20.811 1.00 0.00 C ATOM 1189 CG GLU A 78 12.912 10.223 -21.924 1.00 0.00 C ATOM 1190 CD GLU A 78 12.917 8.874 -22.647 1.00 0.00 C ATOM 1191 OE1 GLU A 78 11.990 8.660 -23.458 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.848 8.087 -22.373 1.00 0.00 O ATOM 0 H GLU A 78 12.139 13.277 -21.534 1.00 0.00 H new ATOM 0 HA GLU A 78 10.762 11.650 -19.650 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.185 9.598 -19.993 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.923 9.839 -21.185 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.706 11.021 -22.637 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.898 10.418 -21.503 1.00 0.00 H new ATOM 1199 N LEU A 79 12.568 12.388 -18.184 1.00 0.00 N ATOM 1200 CA LEU A 79 13.607 12.842 -17.275 1.00 0.00 C ATOM 1201 C LEU A 79 14.787 11.871 -17.332 1.00 0.00 C ATOM 1202 O LEU A 79 14.634 10.724 -17.746 1.00 0.00 O ATOM 1203 CB LEU A 79 13.038 13.037 -15.867 1.00 0.00 C ATOM 1204 CG LEU A 79 13.158 11.839 -14.923 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.887 10.527 -15.665 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.516 11.829 -14.219 1.00 0.00 C ATOM 0 H LEU A 79 11.645 12.288 -17.762 1.00 0.00 H new ATOM 0 HA LEU A 79 13.982 13.819 -17.581 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.541 13.888 -15.408 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.984 13.300 -15.956 1.00 0.00 H new ATOM 0 HG LEU A 79 12.396 11.936 -14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.979 9.691 -14.971 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.879 10.545 -16.080 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.610 10.410 -16.472 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.575 10.967 -13.554 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.311 11.769 -14.962 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.631 12.744 -13.638 1.00 0.00 H new ATOM 1218 N HIS A 80 15.941 12.367 -16.909 1.00 0.00 N ATOM 1219 CA HIS A 80 17.148 11.558 -16.908 1.00 0.00 C ATOM 1220 C HIS A 80 16.793 10.108 -16.573 1.00 0.00 C ATOM 1221 O HIS A 80 15.937 9.855 -15.727 1.00 0.00 O ATOM 1222 CB HIS A 80 18.195 12.146 -15.960 1.00 0.00 C ATOM 1223 CG HIS A 80 19.621 11.916 -16.399 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.472 11.038 -15.751 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.335 12.455 -17.429 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.644 11.057 -16.370 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.557 11.936 -17.410 1.00 0.00 N ATOM 0 H HIS A 80 16.065 13.319 -16.565 1.00 0.00 H new ATOM 0 HA HIS A 80 17.597 11.566 -17.901 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.023 13.218 -15.866 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.057 11.713 -14.969 1.00 0.00 H new ATOM 0 HD2 HIS A 80 19.968 13.181 -18.140 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.515 10.478 -16.099 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.307 12.158 -18.065 1.00 0.00 H new ATOM 1235 N PRO A 81 17.488 9.171 -17.272 1.00 0.00 N ATOM 1236 CA PRO A 81 17.255 7.753 -17.058 1.00 0.00 C ATOM 1237 C PRO A 81 17.882 7.287 -15.742 1.00 0.00 C ATOM 1238 O PRO A 81 17.417 6.323 -15.136 1.00 0.00 O ATOM 1239 CB PRO A 81 17.852 7.067 -18.276 1.00 0.00 C ATOM 1240 CG PRO A 81 18.802 8.078 -18.899 1.00 0.00 C ATOM 1241 CD PRO A 81 18.509 9.435 -18.282 1.00 0.00 C ATOM 0 HA PRO A 81 16.197 7.511 -16.961 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.381 6.157 -17.992 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.074 6.776 -18.981 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.838 7.791 -18.716 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.667 8.113 -19.980 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.404 9.869 -17.836 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.152 10.142 -19.031 1.00 0.00 H new ATOM 1249 N ASP A 82 18.929 7.993 -15.340 1.00 0.00 N ATOM 1250 CA ASP A 82 19.625 7.664 -14.109 1.00 0.00 C ATOM 1251 C ASP A 82 18.748 8.045 -12.914 1.00 0.00 C ATOM 1252 O ASP A 82 18.566 7.251 -11.994 1.00 0.00 O ATOM 1253 CB ASP A 82 20.940 8.436 -13.995 1.00 0.00 C ATOM 1254 CG ASP A 82 22.118 7.632 -13.442 1.00 0.00 C ATOM 1255 OD1 ASP A 82 22.206 6.437 -13.798 1.00 0.00 O ATOM 1256 OD2 ASP A 82 22.904 8.230 -12.676 1.00 0.00 O ATOM 0 H ASP A 82 19.312 8.792 -15.846 1.00 0.00 H new ATOM 0 HA ASP A 82 19.835 6.594 -14.117 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.209 8.813 -14.982 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.780 9.304 -13.355 1.00 0.00 H new ATOM 1261 N ASP A 83 18.227 9.263 -12.968 1.00 0.00 N ATOM 1262 CA ASP A 83 17.373 9.760 -11.903 1.00 0.00 C ATOM 1263 C ASP A 83 16.084 8.938 -11.863 1.00 0.00 C ATOM 1264 O ASP A 83 15.482 8.772 -10.803 1.00 0.00 O ATOM 1265 CB ASP A 83 16.994 11.224 -12.138 1.00 0.00 C ATOM 1266 CG ASP A 83 18.096 12.236 -11.822 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.128 12.191 -12.528 1.00 0.00 O ATOM 1268 OD2 ASP A 83 17.884 13.032 -10.882 1.00 0.00 O ATOM 0 H ASP A 83 18.380 9.920 -13.733 1.00 0.00 H new ATOM 0 HA ASP A 83 17.921 9.676 -10.965 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.699 11.344 -13.180 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.120 11.459 -11.530 1.00 0.00 H new ATOM 1273 N ARG A 84 15.698 8.445 -13.031 1.00 0.00 N ATOM 1274 CA ARG A 84 14.490 7.645 -13.143 1.00 0.00 C ATOM 1275 C ARG A 84 14.602 6.391 -12.274 1.00 0.00 C ATOM 1276 O ARG A 84 13.624 5.969 -11.658 1.00 0.00 O ATOM 1277 CB ARG A 84 14.237 7.231 -14.594 1.00 0.00 C ATOM 1278 CG ARG A 84 13.466 5.910 -14.660 1.00 0.00 C ATOM 1279 CD ARG A 84 14.414 4.734 -14.908 1.00 0.00 C ATOM 1280 NE ARG A 84 13.881 3.874 -15.989 1.00 0.00 N ATOM 1281 CZ ARG A 84 14.392 2.681 -16.319 1.00 0.00 C ATOM 1282 NH1 ARG A 84 15.451 2.198 -15.656 1.00 0.00 N ATOM 1283 NH2 ARG A 84 13.844 1.969 -17.313 1.00 0.00 N ATOM 0 H ARG A 84 16.200 8.584 -13.908 1.00 0.00 H new ATOM 0 HA ARG A 84 13.654 8.255 -12.800 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.674 8.011 -15.106 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.187 7.128 -15.118 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.924 5.754 -13.727 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.723 5.957 -15.456 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.402 5.104 -15.180 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.532 4.152 -13.994 1.00 0.00 H new ATOM 0 HE ARG A 84 13.075 4.211 -16.515 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.869 2.739 -14.899 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.839 1.289 -15.908 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.037 2.336 -17.818 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.233 1.060 -17.564 1.00 0.00 H new ATOM 1297 N SER A 85 15.802 5.830 -12.251 1.00 0.00 N ATOM 1298 CA SER A 85 16.055 4.634 -11.466 1.00 0.00 C ATOM 1299 C SER A 85 16.083 4.980 -9.976 1.00 0.00 C ATOM 1300 O SER A 85 16.051 4.090 -9.128 1.00 0.00 O ATOM 1301 CB SER A 85 17.370 3.970 -11.882 1.00 0.00 C ATOM 1302 OG SER A 85 17.699 2.867 -11.044 1.00 0.00 O ATOM 0 H SER A 85 16.610 6.182 -12.764 1.00 0.00 H new ATOM 0 HA SER A 85 15.247 3.927 -11.652 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.294 3.630 -12.915 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.174 4.705 -11.847 1.00 0.00 H new ATOM 0 HG SER A 85 17.140 2.889 -10.239 1.00 0.00 H new ATOM 1308 N LYS A 86 16.144 6.275 -9.704 1.00 0.00 N ATOM 1309 CA LYS A 86 16.176 6.751 -8.331 1.00 0.00 C ATOM 1310 C LYS A 86 14.751 7.064 -7.870 1.00 0.00 C ATOM 1311 O LYS A 86 14.477 7.100 -6.672 1.00 0.00 O ATOM 1312 CB LYS A 86 17.139 7.932 -8.195 1.00 0.00 C ATOM 1313 CG LYS A 86 18.579 7.446 -8.008 1.00 0.00 C ATOM 1314 CD LYS A 86 19.483 7.963 -9.129 1.00 0.00 C ATOM 1315 CE LYS A 86 20.557 6.934 -9.484 1.00 0.00 C ATOM 1316 NZ LYS A 86 21.653 7.572 -10.248 1.00 0.00 N ATOM 0 H LYS A 86 16.172 7.010 -10.411 1.00 0.00 H new ATOM 0 HA LYS A 86 16.563 5.976 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.076 8.561 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 86 16.846 8.549 -7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.959 7.785 -7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.600 6.356 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 86 18.883 8.187 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.955 8.895 -8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.954 6.485 -8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.117 6.128 -10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.217 6.839 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 21.251 8.216 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 22.262 8.110 -9.598 1.00 0.00 H new ATOM 1330 N ILE A 87 13.882 7.283 -8.846 1.00 0.00 N ATOM 1331 CA ILE A 87 12.492 7.592 -8.555 1.00 0.00 C ATOM 1332 C ILE A 87 11.819 6.363 -7.941 1.00 0.00 C ATOM 1333 O ILE A 87 10.677 6.436 -7.491 1.00 0.00 O ATOM 1334 CB ILE A 87 11.788 8.119 -9.807 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.311 9.505 -10.189 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.269 8.109 -9.626 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.844 10.562 -9.186 1.00 0.00 C ATOM 0 H ILE A 87 14.113 7.253 -9.839 1.00 0.00 H new ATOM 0 HA ILE A 87 12.425 8.393 -7.819 1.00 0.00 H new ATOM 0 HB ILE A 87 12.018 7.449 -10.636 1.00 0.00 H new ATOM 0 HG12 ILE A 87 13.400 9.489 -10.226 1.00 0.00 H new ATOM 0 HG13 ILE A 87 11.962 9.767 -11.188 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.792 8.488 -10.530 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.932 7.090 -9.438 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.999 8.742 -8.781 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.229 11.538 -9.480 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.755 10.592 -9.170 1.00 0.00 H new ATOM 0 HD13 ILE A 87 12.215 10.310 -8.193 1.00 0.00 H new ATOM 1349 N ALA A 88 12.555 5.262 -7.943 1.00 0.00 N ATOM 1350 CA ALA A 88 12.044 4.018 -7.393 1.00 0.00 C ATOM 1351 C ALA A 88 11.889 4.163 -5.877 1.00 0.00 C ATOM 1352 O ALA A 88 12.507 3.423 -5.113 1.00 0.00 O ATOM 1353 CB ALA A 88 12.976 2.868 -7.776 1.00 0.00 C ATOM 0 H ALA A 88 13.502 5.205 -8.317 1.00 0.00 H new ATOM 0 HA ALA A 88 11.061 3.791 -7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 88 12.592 1.935 -7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.029 2.789 -8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.972 3.059 -7.377 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -6.063 12.639 -15.586 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.417 12.440 -15.494 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.157 12.700 -18.980 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.694 12.863 -15.657 1.00 0.00 C HETATM 1364 CHD HEM A 95 -5.955 12.601 -12.175 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.522 12.569 -16.949 1.00 0.00 N HETATM 1366 C1A HEM A 95 -8.863 12.498 -16.698 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.573 12.474 -17.973 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.652 12.554 -18.947 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.370 12.625 -18.306 1.00 0.00 C HETATM 1370 CMA HEM A 95 -8.944 12.523 -20.439 1.00 0.00 C HETATM 1371 CAA HEM A 95 -10.952 11.787 -18.283 1.00 0.00 C HETATM 1372 CBA HEM A 95 -11.073 10.286 -18.628 1.00 0.00 C HETATM 1373 CGA HEM A 95 -9.914 9.454 -18.097 1.00 0.00 C HETATM 1374 O1A HEM A 95 -9.992 8.973 -16.938 1.00 0.00 O HETATM 1375 O2A HEM A 95 -8.915 9.256 -18.834 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.689 12.748 -17.022 1.00 0.00 N HETATM 1377 C1B HEM A 95 -4.925 12.756 -18.364 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.673 12.856 -19.095 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.700 12.901 -18.172 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.334 12.853 -16.854 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.461 12.878 -20.600 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.220 12.994 -18.451 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.546 12.641 -19.407 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.605 12.732 -14.192 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.263 12.813 -14.430 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.537 12.826 -13.182 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.486 12.774 -12.175 1.00 0.00 C HETATM 1388 C4C HEM A 95 -4.760 12.688 -12.820 1.00 0.00 C HETATM 1389 CMC HEM A 95 -1.064 12.922 -12.950 1.00 0.00 C HETATM 1390 CAC HEM A 95 -3.168 12.780 -10.715 1.00 0.00 C HETATM 1391 CBC HEM A 95 -2.236 13.061 -10.204 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.439 12.546 -14.126 1.00 0.00 N HETATM 1393 C1D HEM A 95 -7.195 12.538 -12.766 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.480 12.447 -12.044 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.411 12.403 -12.984 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.777 12.468 -14.280 1.00 0.00 C HETATM 1397 CMD HEM A 95 -8.649 12.424 -10.555 1.00 0.00 C HETATM 1398 CAD HEM A 95 -11.015 12.553 -12.916 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.693 11.207 -13.273 1.00 0.00 C HETATM 1400 CGD HEM A 95 -12.445 10.623 -12.078 1.00 0.00 C HETATM 1401 O1D HEM A 95 -12.568 11.164 -10.980 1.00 0.00 O HETATM 1402 O2D HEM A 95 -12.677 9.339 -12.313 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -8.167 13.070 -20.973 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -9.912 12.987 -20.630 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -8.963 11.489 -20.785 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -2.572 13.463 -20.834 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -4.328 13.328 -21.083 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.331 11.859 -20.964 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.533 12.469 -13.788 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -0.806 12.397 -12.030 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -0.777 13.970 -12.862 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -7.774 11.964 -10.097 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -9.538 11.848 -10.299 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -8.758 13.444 -10.185 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.531 12.807 -19.405 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -1.022 12.161 -20.262 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -2.173 13.007 -9.117 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -1.375 13.394 -10.784 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -11.128 10.172 -19.711 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -12.007 9.900 -18.219 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -11.393 12.335 -19.116 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.588 11.960 -17.415 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -10.938 10.497 -13.611 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -12.385 11.356 -14.102 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.345 13.329 -13.607 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.316 12.867 -11.917 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.494 12.362 -15.466 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.181 12.715 -20.060 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.616 12.917 -15.687 1.00 0.00 H new HETATM 0 HHD HEM A 95 -5.927 12.579 -11.096 1.00 0.00 H new HETATM 0 HAB HEM A 95 -0.646 13.463 -17.652 1.00 0.00 H new HETATM 0 HAC HEM A 95 -3.979 12.459 -10.061 1.00 0.00 H new