USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 587 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 NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 100 ZNZN :(H bumps) USER MOD Set 1.1: A 30 CYS SG : rot 138:sc= 0.193 USER MOD Set 1.2: A 70 HIS :FLIP no HD1:sc= -0.0429 F(o=-2.3,f=0.15) USER MOD Set 2.1: A 49 LYS NZ :NH3+ -179:sc= 1.14 (180deg=-0.057) USER MOD Set 2.2: A 52 GLN : amide:sc= 0.959 K(o=2.1,f=-4.2) USER MOD Single : A 24 SER OG : rot 175:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0396 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.104 K(o=0.1,f=-2.4!) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= 0.753 (180deg=-0.0275) USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00197) USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= 1.2 (180deg=0.74) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 0.373 (180deg=0.304) USER MOD Single : A 67 SER OG : rot 102:sc= 1.25 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0181 K(o=-0.018,f=-1) USER MOD Single : A 82 GLN : amide:sc= -0.0712 X(o=-0.071,f=-0.071) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc=-0.00191 X(o=-0.0019,f=-0.0026) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -121:sc= -0.0328 (180deg=-0.757) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 23 -9.476 5.555 -6.721 1.00 0.00 N ATOM 2 CA GLY A 23 -9.031 4.995 -5.421 1.00 0.00 C ATOM 3 C GLY A 23 -8.249 6.057 -4.666 1.00 0.00 C ATOM 4 O GLY A 23 -8.170 7.157 -5.184 1.00 0.00 O ATOM 0 HA2 GLY A 23 -9.892 4.674 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.410 4.114 -5.583 1.00 0.00 H new ATOM 8 N SER A 24 -7.664 5.748 -3.503 1.00 0.00 N ATOM 9 CA SER A 24 -6.815 6.698 -2.742 1.00 0.00 C ATOM 10 C SER A 24 -5.447 6.092 -2.384 1.00 0.00 C ATOM 11 O SER A 24 -4.913 6.277 -1.297 1.00 0.00 O ATOM 12 CB SER A 24 -7.553 7.284 -1.525 1.00 0.00 C ATOM 13 OG SER A 24 -7.182 8.642 -1.393 1.00 0.00 O ATOM 0 H SER A 24 -7.760 4.836 -3.056 1.00 0.00 H new ATOM 0 HA SER A 24 -6.606 7.541 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.631 7.196 -1.656 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.296 6.730 -0.622 1.00 0.00 H new ATOM 0 HG SER A 24 -7.705 9.056 -0.675 1.00 0.00 H new ATOM 19 N TYR A 25 -4.887 5.320 -3.317 1.00 0.00 N ATOM 20 CA TYR A 25 -3.568 4.689 -3.222 1.00 0.00 C ATOM 21 C TYR A 25 -2.636 5.431 -4.189 1.00 0.00 C ATOM 22 O TYR A 25 -2.710 5.235 -5.400 1.00 0.00 O ATOM 23 CB TYR A 25 -3.682 3.185 -3.529 1.00 0.00 C ATOM 24 CG TYR A 25 -4.389 2.379 -2.449 1.00 0.00 C ATOM 25 CD1 TYR A 25 -5.798 2.332 -2.396 1.00 0.00 C ATOM 26 CD2 TYR A 25 -3.632 1.671 -1.495 1.00 0.00 C ATOM 27 CE1 TYR A 25 -6.449 1.605 -1.380 1.00 0.00 C ATOM 28 CE2 TYR A 25 -4.277 0.929 -0.488 1.00 0.00 C ATOM 29 CZ TYR A 25 -5.685 0.897 -0.423 1.00 0.00 C ATOM 30 OH TYR A 25 -6.295 0.185 0.561 1.00 0.00 O ATOM 0 H TYR A 25 -5.359 5.108 -4.196 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.155 4.760 -2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.217 3.057 -4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.681 2.778 -3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.381 2.856 -3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.553 1.698 -1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.528 1.588 -1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.692 0.383 0.237 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.616 -0.238 1.127 1.00 0.00 H new ATOM 40 N GLY A 26 -1.856 6.380 -3.664 1.00 0.00 N ATOM 41 CA GLY A 26 -0.973 7.280 -4.430 1.00 0.00 C ATOM 42 C GLY A 26 -1.699 8.410 -5.179 1.00 0.00 C ATOM 43 O GLY A 26 -1.299 9.577 -5.115 1.00 0.00 O ATOM 0 H GLY A 26 -1.817 6.553 -2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.248 7.723 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.411 6.687 -5.152 1.00 0.00 H new ATOM 47 N GLN A 27 -2.790 8.073 -5.872 1.00 0.00 N ATOM 48 CA GLN A 27 -3.682 9.013 -6.554 1.00 0.00 C ATOM 49 C GLN A 27 -4.692 9.635 -5.581 1.00 0.00 C ATOM 50 O GLN A 27 -5.871 9.287 -5.546 1.00 0.00 O ATOM 51 CB GLN A 27 -4.328 8.339 -7.771 1.00 0.00 C ATOM 52 CG GLN A 27 -3.285 8.148 -8.885 1.00 0.00 C ATOM 53 CD GLN A 27 -3.898 7.665 -10.192 1.00 0.00 C ATOM 54 OE1 GLN A 27 -4.840 6.892 -10.227 1.00 0.00 O ATOM 55 NE2 GLN A 27 -3.384 8.113 -11.315 1.00 0.00 N ATOM 0 H GLN A 27 -3.087 7.103 -5.977 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.099 9.851 -6.934 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.745 7.374 -7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.155 8.947 -8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.769 9.092 -9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.534 7.430 -8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.596 8.760 -11.293 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.773 7.814 -12.209 1.00 0.00 H new ATOM 64 N SER A 28 -4.199 10.582 -4.798 1.00 0.00 N ATOM 65 CA SER A 28 -4.958 11.423 -3.874 1.00 0.00 C ATOM 66 C SER A 28 -4.525 12.885 -4.029 1.00 0.00 C ATOM 67 O SER A 28 -3.496 13.169 -4.660 1.00 0.00 O ATOM 68 CB SER A 28 -4.792 10.936 -2.435 1.00 0.00 C ATOM 69 OG SER A 28 -3.435 10.975 -2.041 1.00 0.00 O ATOM 0 H SER A 28 -3.203 10.800 -4.787 1.00 0.00 H new ATOM 0 HA SER A 28 -6.018 11.353 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.387 11.558 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.171 9.918 -2.346 1.00 0.00 H new ATOM 0 HG SER A 28 -3.354 10.661 -1.116 1.00 0.00 H new ATOM 75 N CYS A 29 -5.331 13.801 -3.490 1.00 0.00 N ATOM 76 CA CYS A 29 -5.072 15.233 -3.475 1.00 0.00 C ATOM 77 C CYS A 29 -3.717 15.579 -2.813 1.00 0.00 C ATOM 78 O CYS A 29 -3.011 14.745 -2.225 1.00 0.00 O ATOM 79 CB CYS A 29 -6.293 15.901 -2.800 1.00 0.00 C ATOM 80 SG CYS A 29 -6.490 17.653 -3.250 1.00 0.00 S ATOM 0 H CYS A 29 -6.211 13.553 -3.038 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.963 15.622 -4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.196 15.357 -3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.192 15.820 -1.718 1.00 0.00 H new ATOM 85 N CYS A 30 -3.333 16.842 -2.917 1.00 0.00 N ATOM 86 CA CYS A 30 -2.109 17.367 -2.310 1.00 0.00 C ATOM 87 C CYS A 30 -2.256 18.788 -1.766 1.00 0.00 C ATOM 88 O CYS A 30 -1.259 19.371 -1.340 1.00 0.00 O ATOM 89 CB CYS A 30 -0.962 17.253 -3.321 1.00 0.00 C ATOM 90 SG CYS A 30 0.529 16.766 -2.411 1.00 0.00 S ATOM 0 H CYS A 30 -3.866 17.544 -3.431 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.884 16.761 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.200 16.516 -4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.806 18.204 -3.831 1.00 0.00 H new ATOM 0 HG CYS A 30 1.177 15.867 -3.090 1.00 0.00 H new ATOM 96 N LEU A 31 -3.474 19.334 -1.801 1.00 0.00 N ATOM 97 CA LEU A 31 -3.742 20.648 -1.238 1.00 0.00 C ATOM 98 C LEU A 31 -3.947 20.589 0.286 1.00 0.00 C ATOM 99 O LEU A 31 -4.126 19.525 0.887 1.00 0.00 O ATOM 100 CB LEU A 31 -4.930 21.296 -1.974 1.00 0.00 C ATOM 101 CG LEU A 31 -4.773 21.380 -3.508 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.861 22.258 -4.125 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.438 21.955 -3.968 1.00 0.00 C ATOM 0 H LEU A 31 -4.288 18.881 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.868 21.281 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.833 20.730 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.077 22.302 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.845 20.344 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.726 22.299 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.840 21.837 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.794 23.265 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.408 21.980 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.324 22.967 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.626 21.330 -3.597 1.00 0.00 H new ATOM 115 N ILE A 32 -3.920 21.766 0.897 1.00 0.00 N ATOM 116 CA ILE A 32 -4.140 22.021 2.315 1.00 0.00 C ATOM 117 C ILE A 32 -5.008 23.272 2.354 1.00 0.00 C ATOM 118 O ILE A 32 -4.624 24.266 1.738 1.00 0.00 O ATOM 119 CB ILE A 32 -2.783 22.257 3.025 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.959 20.949 3.084 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.988 22.853 4.430 1.00 0.00 C ATOM 122 CD1 ILE A 32 -0.624 21.067 3.831 1.00 0.00 C ATOM 0 H ILE A 32 -3.731 22.625 0.381 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.618 21.186 2.827 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.217 22.982 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.561 20.177 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.762 20.613 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.019 23.008 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.509 23.807 4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.582 22.166 5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.115 20.103 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.002 21.812 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.809 21.370 4.862 1.00 0.00 H new ATOM 134 N GLU A 33 -6.133 23.246 3.067 1.00 0.00 N ATOM 135 CA GLU A 33 -7.009 24.417 3.189 1.00 0.00 C ATOM 136 C GLU A 33 -7.291 24.736 4.662 1.00 0.00 C ATOM 137 O GLU A 33 -7.771 23.906 5.430 1.00 0.00 O ATOM 138 CB GLU A 33 -8.242 24.276 2.278 1.00 0.00 C ATOM 139 CG GLU A 33 -8.791 25.675 1.936 1.00 0.00 C ATOM 140 CD GLU A 33 -9.514 25.819 0.587 1.00 0.00 C ATOM 141 OE1 GLU A 33 -9.905 24.799 -0.036 1.00 0.00 O ATOM 142 OE2 GLU A 33 -9.612 26.997 0.162 1.00 0.00 O ATOM 0 H GLU A 33 -6.463 22.424 3.572 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.502 25.307 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.974 23.746 1.364 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.010 23.684 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.481 25.973 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.961 26.381 1.955 1.00 0.00 H new ATOM 149 N ASP A 34 -6.856 25.933 5.075 1.00 0.00 N ATOM 150 CA ASP A 34 -6.812 26.451 6.464 1.00 0.00 C ATOM 151 C ASP A 34 -5.979 25.564 7.432 1.00 0.00 C ATOM 152 O ASP A 34 -5.830 25.877 8.612 1.00 0.00 O ATOM 153 CB ASP A 34 -8.219 26.816 7.000 1.00 0.00 C ATOM 154 CG ASP A 34 -8.409 28.331 7.174 1.00 0.00 C ATOM 155 OD1 ASP A 34 -7.594 29.008 7.840 1.00 0.00 O ATOM 156 OD2 ASP A 34 -9.320 28.912 6.540 1.00 0.00 O ATOM 0 H ASP A 34 -6.499 26.618 4.409 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.260 27.390 6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.975 26.435 6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.379 26.321 7.958 1.00 0.00 H new ATOM 161 N GLY A 35 -5.390 24.479 6.917 1.00 0.00 N ATOM 162 CA GLY A 35 -4.589 23.477 7.623 1.00 0.00 C ATOM 163 C GLY A 35 -5.107 22.045 7.429 1.00 0.00 C ATOM 164 O GLY A 35 -4.375 21.092 7.699 1.00 0.00 O ATOM 0 H GLY A 35 -5.467 24.264 5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.558 23.534 7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.580 23.712 8.687 1.00 0.00 H new ATOM 168 N GLU A 36 -6.328 21.870 6.916 1.00 0.00 N ATOM 169 CA GLU A 36 -6.878 20.556 6.595 1.00 0.00 C ATOM 170 C GLU A 36 -6.195 19.961 5.352 1.00 0.00 C ATOM 171 O GLU A 36 -6.393 20.414 4.220 1.00 0.00 O ATOM 172 CB GLU A 36 -8.409 20.617 6.453 1.00 0.00 C ATOM 173 CG GLU A 36 -8.962 19.176 6.425 1.00 0.00 C ATOM 174 CD GLU A 36 -10.486 19.069 6.598 1.00 0.00 C ATOM 175 OE1 GLU A 36 -10.950 19.206 7.754 1.00 0.00 O ATOM 176 OE2 GLU A 36 -11.163 18.766 5.587 1.00 0.00 O ATOM 0 H GLU A 36 -6.963 22.641 6.712 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.666 19.882 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.844 21.172 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.683 21.145 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.684 18.713 5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.479 18.601 7.215 1.00 0.00 H new ATOM 183 N ARG A 37 -5.341 18.951 5.572 1.00 0.00 N ATOM 184 CA ARG A 37 -4.682 18.157 4.523 1.00 0.00 C ATOM 185 C ARG A 37 -5.725 17.334 3.774 1.00 0.00 C ATOM 186 O ARG A 37 -6.136 16.270 4.232 1.00 0.00 O ATOM 187 CB ARG A 37 -3.572 17.284 5.145 1.00 0.00 C ATOM 188 CG ARG A 37 -2.891 16.282 4.192 1.00 0.00 C ATOM 189 CD ARG A 37 -2.267 16.926 2.948 1.00 0.00 C ATOM 190 NE ARG A 37 -1.379 15.981 2.240 1.00 0.00 N ATOM 191 CZ ARG A 37 -1.622 15.308 1.133 1.00 0.00 C ATOM 192 NH1 ARG A 37 -2.780 15.229 0.562 1.00 0.00 N ATOM 193 NH2 ARG A 37 -0.657 14.692 0.531 1.00 0.00 N ATOM 0 H ARG A 37 -5.082 18.655 6.513 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.203 18.814 3.797 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.807 17.942 5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.998 16.729 5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.115 15.747 4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.626 15.542 3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.056 17.260 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.701 17.811 3.239 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.462 15.830 2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.583 15.708 0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.890 14.687 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.288 14.728 0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.841 14.170 -0.326 1.00 0.00 H new ATOM 207 N CYS A 38 -6.131 17.825 2.610 1.00 0.00 N ATOM 208 CA CYS A 38 -7.065 17.147 1.728 1.00 0.00 C ATOM 209 C CYS A 38 -6.510 15.772 1.319 1.00 0.00 C ATOM 210 O CYS A 38 -5.433 15.669 0.733 1.00 0.00 O ATOM 211 CB CYS A 38 -7.325 18.101 0.552 1.00 0.00 C ATOM 212 SG CYS A 38 -8.833 17.641 -0.346 1.00 0.00 S ATOM 0 H CYS A 38 -5.812 18.724 2.248 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.017 16.926 2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.416 19.122 0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.474 18.084 -0.129 1.00 0.00 H new ATOM 217 N VAL A 39 -7.236 14.706 1.652 1.00 0.00 N ATOM 218 CA VAL A 39 -6.858 13.289 1.424 1.00 0.00 C ATOM 219 C VAL A 39 -7.812 12.576 0.461 1.00 0.00 C ATOM 220 O VAL A 39 -7.764 11.357 0.285 1.00 0.00 O ATOM 221 CB VAL A 39 -6.742 12.518 2.756 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.456 12.904 3.488 1.00 0.00 C ATOM 223 CG2 VAL A 39 -7.953 12.741 3.673 1.00 0.00 C ATOM 0 H VAL A 39 -8.144 14.797 2.108 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.877 13.302 0.950 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.715 11.458 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.391 12.351 4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.596 12.663 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.464 13.974 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.820 12.176 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.042 13.802 3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.858 12.404 3.169 1.00 0.00 H new ATOM 233 N ARG A 40 -8.685 13.356 -0.183 1.00 0.00 N ATOM 234 CA ARG A 40 -9.619 12.919 -1.222 1.00 0.00 C ATOM 235 C ARG A 40 -8.901 12.205 -2.381 1.00 0.00 C ATOM 236 O ARG A 40 -7.745 12.528 -2.661 1.00 0.00 O ATOM 237 CB ARG A 40 -10.359 14.161 -1.748 1.00 0.00 C ATOM 238 CG ARG A 40 -11.323 14.744 -0.711 1.00 0.00 C ATOM 239 CD ARG A 40 -12.200 15.853 -1.316 1.00 0.00 C ATOM 240 NE ARG A 40 -13.583 15.752 -0.815 1.00 0.00 N ATOM 241 CZ ARG A 40 -14.483 14.868 -1.202 1.00 0.00 C ATOM 242 NH1 ARG A 40 -14.288 14.079 -2.229 1.00 0.00 N ATOM 243 NH2 ARG A 40 -15.603 14.741 -0.549 1.00 0.00 N ATOM 0 H ARG A 40 -8.763 14.354 0.015 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.317 12.201 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.632 14.921 -2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.913 13.897 -2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.958 13.951 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.756 15.145 0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.786 16.829 -1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.195 15.776 -2.403 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.870 16.426 -0.105 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.418 14.136 -2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.006 13.407 -2.500 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.788 15.326 0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.295 14.056 -0.852 1.00 0.00 H new ATOM 257 N PRO A 41 -9.582 11.279 -3.087 1.00 0.00 N ATOM 258 CA PRO A 41 -9.027 10.641 -4.277 1.00 0.00 C ATOM 259 C PRO A 41 -8.780 11.704 -5.356 1.00 0.00 C ATOM 260 O PRO A 41 -9.610 12.595 -5.539 1.00 0.00 O ATOM 261 CB PRO A 41 -10.081 9.618 -4.709 1.00 0.00 C ATOM 262 CG PRO A 41 -11.395 10.211 -4.207 1.00 0.00 C ATOM 263 CD PRO A 41 -10.973 10.877 -2.898 1.00 0.00 C ATOM 0 HA PRO A 41 -8.069 10.154 -4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.090 9.486 -5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.891 8.639 -4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.813 10.929 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.153 9.444 -4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.603 11.739 -2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.070 10.188 -2.059 1.00 0.00 H new ATOM 271 N ALA A 42 -7.644 11.618 -6.050 1.00 0.00 N ATOM 272 CA ALA A 42 -7.349 12.504 -7.172 1.00 0.00 C ATOM 273 C ALA A 42 -8.163 12.104 -8.410 1.00 0.00 C ATOM 274 O ALA A 42 -8.615 10.962 -8.528 1.00 0.00 O ATOM 275 CB ALA A 42 -5.845 12.490 -7.467 1.00 0.00 C ATOM 0 H ALA A 42 -6.910 10.938 -5.851 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.637 13.521 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.632 13.153 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.299 12.830 -6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.533 11.476 -7.718 1.00 0.00 H new ATOM 281 N GLY A 43 -8.283 13.034 -9.353 1.00 0.00 N ATOM 282 CA GLY A 43 -8.975 12.827 -10.623 1.00 0.00 C ATOM 283 C GLY A 43 -8.206 13.438 -11.790 1.00 0.00 C ATOM 284 O GLY A 43 -6.984 13.598 -11.738 1.00 0.00 O ATOM 0 H GLY A 43 -7.894 13.972 -9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.109 11.759 -10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.970 13.269 -10.572 1.00 0.00 H new ATOM 288 N ASN A 44 -8.913 13.791 -12.865 1.00 0.00 N ATOM 289 CA ASN A 44 -8.346 14.423 -14.066 1.00 0.00 C ATOM 290 C ASN A 44 -7.993 15.915 -13.837 1.00 0.00 C ATOM 291 O ASN A 44 -8.441 16.805 -14.570 1.00 0.00 O ATOM 292 CB ASN A 44 -9.299 14.183 -15.252 1.00 0.00 C ATOM 293 CG ASN A 44 -9.605 12.711 -15.455 1.00 0.00 C ATOM 294 OD1 ASN A 44 -10.619 12.209 -15.016 1.00 0.00 O ATOM 295 ND2 ASN A 44 -8.747 11.960 -16.105 1.00 0.00 N ATOM 0 H ASN A 44 -9.920 13.643 -12.930 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.389 13.959 -14.305 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.229 14.725 -15.083 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.854 14.588 -16.161 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.936 10.966 -16.236 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.891 12.370 -16.479 1.00 0.00 H new ATOM 302 N ALA A 45 -7.211 16.193 -12.789 1.00 0.00 N ATOM 303 CA ALA A 45 -6.843 17.521 -12.308 1.00 0.00 C ATOM 304 C ALA A 45 -5.394 17.569 -11.787 1.00 0.00 C ATOM 305 O ALA A 45 -4.933 16.662 -11.091 1.00 0.00 O ATOM 306 CB ALA A 45 -7.813 17.876 -11.176 1.00 0.00 C ATOM 0 H ALA A 45 -6.796 15.452 -12.224 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.904 18.233 -13.131 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.572 18.865 -10.787 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.834 17.875 -11.558 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.724 17.140 -10.377 1.00 0.00 H new ATOM 312 N SER A 46 -4.672 18.655 -12.081 1.00 0.00 N ATOM 313 CA SER A 46 -3.311 18.862 -11.572 1.00 0.00 C ATOM 314 C SER A 46 -2.959 20.341 -11.341 1.00 0.00 C ATOM 315 O SER A 46 -3.388 21.239 -12.072 1.00 0.00 O ATOM 316 CB SER A 46 -2.272 18.207 -12.493 1.00 0.00 C ATOM 317 OG SER A 46 -2.413 18.650 -13.832 1.00 0.00 O ATOM 0 H SER A 46 -5.011 19.412 -12.675 1.00 0.00 H new ATOM 0 HA SER A 46 -3.285 18.379 -10.595 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.269 18.440 -12.135 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.381 17.123 -12.454 1.00 0.00 H new ATOM 0 HG SER A 46 -1.736 18.216 -14.393 1.00 0.00 H new ATOM 323 N PHE A 47 -2.138 20.594 -10.317 1.00 0.00 N ATOM 324 CA PHE A 47 -1.663 21.908 -9.859 1.00 0.00 C ATOM 325 C PHE A 47 -0.559 22.528 -10.749 1.00 0.00 C ATOM 326 O PHE A 47 0.465 23.037 -10.283 1.00 0.00 O ATOM 327 CB PHE A 47 -1.256 21.793 -8.382 1.00 0.00 C ATOM 328 CG PHE A 47 -1.407 23.103 -7.638 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.679 23.467 -7.163 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.308 23.952 -7.415 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.843 24.647 -6.426 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.483 25.160 -6.713 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.750 25.504 -6.213 1.00 0.00 C ATOM 0 H PHE A 47 -1.761 19.837 -9.746 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.484 22.619 -9.953 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.867 21.031 -7.898 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.220 21.459 -8.318 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.531 22.836 -7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.670 23.677 -7.782 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.812 24.899 -6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.356 25.822 -6.559 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.884 26.426 -5.666 1.00 0.00 H new ATOM 343 N SER A 48 -0.758 22.463 -12.068 1.00 0.00 N ATOM 344 CA SER A 48 0.145 23.043 -13.074 1.00 0.00 C ATOM 345 C SER A 48 0.302 24.564 -12.921 1.00 0.00 C ATOM 346 O SER A 48 -0.570 25.255 -12.390 1.00 0.00 O ATOM 347 CB SER A 48 -0.323 22.695 -14.490 1.00 0.00 C ATOM 348 OG SER A 48 -1.602 23.239 -14.751 1.00 0.00 O ATOM 0 H SER A 48 -1.567 21.997 -12.478 1.00 0.00 H new ATOM 0 HA SER A 48 1.127 22.601 -12.904 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.393 23.077 -15.217 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.353 21.612 -14.611 1.00 0.00 H new ATOM 0 HG SER A 48 -1.878 23.004 -15.662 1.00 0.00 H new ATOM 354 N LYS A 49 1.388 25.142 -13.453 1.00 0.00 N ATOM 355 CA LYS A 49 1.714 26.570 -13.257 1.00 0.00 C ATOM 356 C LYS A 49 0.632 27.594 -13.651 1.00 0.00 C ATOM 357 O LYS A 49 0.652 28.719 -13.152 1.00 0.00 O ATOM 358 CB LYS A 49 3.077 26.921 -13.878 1.00 0.00 C ATOM 359 CG LYS A 49 3.897 27.668 -12.814 1.00 0.00 C ATOM 360 CD LYS A 49 5.038 28.532 -13.349 1.00 0.00 C ATOM 361 CE LYS A 49 5.991 28.980 -12.221 1.00 0.00 C ATOM 362 NZ LYS A 49 5.291 29.523 -11.021 1.00 0.00 N ATOM 0 H LYS A 49 2.064 24.640 -14.029 1.00 0.00 H new ATOM 0 HA LYS A 49 1.764 26.671 -12.173 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.596 26.017 -14.196 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.945 27.541 -14.764 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.222 28.303 -12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.313 26.936 -12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.598 27.972 -14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.627 29.409 -13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.605 28.132 -11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.668 29.741 -12.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.994 29.819 -10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.712 30.342 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.678 28.788 -10.614 1.00 0.00 H new ATOM 376 N ARG A 50 -0.320 27.225 -14.520 1.00 0.00 N ATOM 377 CA ARG A 50 -1.488 28.066 -14.872 1.00 0.00 C ATOM 378 C ARG A 50 -2.464 28.213 -13.690 1.00 0.00 C ATOM 379 O ARG A 50 -3.012 29.293 -13.481 1.00 0.00 O ATOM 380 CB ARG A 50 -2.163 27.537 -16.161 1.00 0.00 C ATOM 381 CG ARG A 50 -2.836 26.158 -16.013 1.00 0.00 C ATOM 382 CD ARG A 50 -2.879 25.326 -17.311 1.00 0.00 C ATOM 383 NE ARG A 50 -3.918 25.756 -18.275 1.00 0.00 N ATOM 384 CZ ARG A 50 -4.138 25.211 -19.466 1.00 0.00 C ATOM 385 NH1 ARG A 50 -3.360 24.292 -19.967 1.00 0.00 N ATOM 386 NH2 ARG A 50 -5.166 25.565 -20.189 1.00 0.00 N ATOM 0 H ARG A 50 -0.307 26.328 -15.006 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.139 29.076 -15.086 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.912 28.259 -16.486 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.413 27.478 -16.950 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.306 25.589 -15.249 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.855 26.302 -15.654 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.905 25.380 -17.796 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.049 24.281 -17.053 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.515 26.536 -18.001 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.549 23.968 -19.440 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.563 23.898 -20.886 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.815 26.271 -19.841 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.320 25.136 -21.102 1.00 0.00 H new ATOM 400 N VAL A 51 -2.616 27.163 -12.882 1.00 0.00 N ATOM 401 CA VAL A 51 -3.463 27.128 -11.682 1.00 0.00 C ATOM 402 C VAL A 51 -2.873 27.980 -10.551 1.00 0.00 C ATOM 403 O VAL A 51 -3.607 28.747 -9.929 1.00 0.00 O ATOM 404 CB VAL A 51 -3.678 25.664 -11.233 1.00 0.00 C ATOM 405 CG1 VAL A 51 -4.668 25.583 -10.071 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.247 24.817 -12.382 1.00 0.00 C ATOM 0 H VAL A 51 -2.136 26.279 -13.049 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.432 27.561 -11.931 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.704 25.284 -10.925 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.799 24.542 -9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.284 26.153 -9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.628 25.996 -10.381 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.390 23.791 -12.042 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.204 25.230 -12.699 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.551 24.828 -13.221 1.00 0.00 H new ATOM 416 N GLN A 52 -1.548 27.932 -10.357 1.00 0.00 N ATOM 417 CA GLN A 52 -0.819 28.744 -9.366 1.00 0.00 C ATOM 418 C GLN A 52 -1.134 30.248 -9.485 1.00 0.00 C ATOM 419 O GLN A 52 -1.470 30.888 -8.487 1.00 0.00 O ATOM 420 CB GLN A 52 0.700 28.528 -9.524 1.00 0.00 C ATOM 421 CG GLN A 52 1.198 27.123 -9.159 1.00 0.00 C ATOM 422 CD GLN A 52 2.665 26.877 -9.519 1.00 0.00 C ATOM 423 OE1 GLN A 52 3.459 27.784 -9.761 1.00 0.00 O ATOM 424 NE2 GLN A 52 3.073 25.630 -9.639 1.00 0.00 N ATOM 0 H GLN A 52 -0.938 27.316 -10.894 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.150 28.415 -8.381 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.976 28.737 -10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.222 29.255 -8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.065 26.967 -8.089 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.579 26.384 -9.668 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.431 24.862 -9.443 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.031 25.432 -9.928 1.00 0.00 H new ATOM 433 N LYS A 53 -1.091 30.809 -10.708 1.00 0.00 N ATOM 434 CA LYS A 53 -1.432 32.221 -10.979 1.00 0.00 C ATOM 435 C LYS A 53 -2.829 32.595 -10.474 1.00 0.00 C ATOM 436 O LYS A 53 -2.988 33.624 -9.826 1.00 0.00 O ATOM 437 CB LYS A 53 -1.352 32.529 -12.484 1.00 0.00 C ATOM 438 CG LYS A 53 0.062 32.470 -13.082 1.00 0.00 C ATOM 439 CD LYS A 53 0.025 32.981 -14.532 1.00 0.00 C ATOM 440 CE LYS A 53 1.414 32.957 -15.182 1.00 0.00 C ATOM 441 NZ LYS A 53 1.389 33.515 -16.559 1.00 0.00 N ATOM 0 H LYS A 53 -0.817 30.292 -11.543 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.698 32.817 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.987 31.822 -13.019 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.764 33.523 -12.659 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.746 33.077 -12.488 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.438 31.447 -13.055 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.660 32.366 -15.116 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.366 33.998 -14.549 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.111 33.530 -14.570 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.784 31.932 -15.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.346 33.481 -16.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.743 32.953 -17.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.061 34.501 -16.528 1.00 0.00 H new ATOM 455 N SER A 54 -3.819 31.746 -10.760 1.00 0.00 N ATOM 456 CA SER A 54 -5.217 31.947 -10.363 1.00 0.00 C ATOM 457 C SER A 54 -5.346 32.098 -8.846 1.00 0.00 C ATOM 458 O SER A 54 -5.842 33.113 -8.365 1.00 0.00 O ATOM 459 CB SER A 54 -6.084 30.800 -10.898 1.00 0.00 C ATOM 460 OG SER A 54 -7.453 31.164 -10.918 1.00 0.00 O ATOM 0 H SER A 54 -3.670 30.883 -11.284 1.00 0.00 H new ATOM 0 HA SER A 54 -5.576 32.877 -10.803 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.760 30.534 -11.904 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.948 29.916 -10.275 1.00 0.00 H new ATOM 0 HG SER A 54 -7.985 30.417 -11.264 1.00 0.00 H new ATOM 466 N ILE A 55 -4.831 31.126 -8.085 1.00 0.00 N ATOM 467 CA ILE A 55 -4.899 31.120 -6.614 1.00 0.00 C ATOM 468 C ILE A 55 -4.114 32.298 -6.012 1.00 0.00 C ATOM 469 O ILE A 55 -4.618 32.973 -5.117 1.00 0.00 O ATOM 470 CB ILE A 55 -4.412 29.764 -6.071 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.335 28.649 -6.615 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.437 29.716 -4.533 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.819 27.263 -6.265 1.00 0.00 C ATOM 0 H ILE A 55 -4.351 30.314 -8.473 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.938 31.252 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.382 29.622 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.338 28.777 -6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.418 28.743 -7.698 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.086 28.742 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.787 30.495 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.456 29.877 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.497 26.510 -6.666 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.827 27.124 -6.696 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.762 27.159 -5.181 1.00 0.00 H new ATOM 485 N SER A 56 -2.927 32.593 -6.554 1.00 0.00 N ATOM 486 CA SER A 56 -2.071 33.717 -6.143 1.00 0.00 C ATOM 487 C SER A 56 -2.794 35.070 -6.192 1.00 0.00 C ATOM 488 O SER A 56 -2.787 35.811 -5.207 1.00 0.00 O ATOM 489 CB SER A 56 -0.856 33.758 -7.071 1.00 0.00 C ATOM 490 OG SER A 56 0.073 34.752 -6.691 1.00 0.00 O ATOM 0 H SER A 56 -2.522 32.043 -7.312 1.00 0.00 H new ATOM 0 HA SER A 56 -1.779 33.554 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.366 32.785 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.187 33.944 -8.093 1.00 0.00 H new ATOM 0 HG SER A 56 0.833 34.742 -7.309 1.00 0.00 H new ATOM 496 N GLN A 57 -3.485 35.360 -7.304 1.00 0.00 N ATOM 497 CA GLN A 57 -4.323 36.558 -7.465 1.00 0.00 C ATOM 498 C GLN A 57 -5.529 36.566 -6.519 1.00 0.00 C ATOM 499 O GLN A 57 -6.006 37.625 -6.121 1.00 0.00 O ATOM 500 CB GLN A 57 -4.884 36.599 -8.891 1.00 0.00 C ATOM 501 CG GLN A 57 -3.846 36.858 -9.986 1.00 0.00 C ATOM 502 CD GLN A 57 -4.469 36.760 -11.378 1.00 0.00 C ATOM 503 OE1 GLN A 57 -5.538 36.196 -11.593 1.00 0.00 O ATOM 504 NE2 GLN A 57 -3.830 37.331 -12.374 1.00 0.00 N ATOM 0 H GLN A 57 -3.478 34.760 -8.129 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.685 37.414 -7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.380 35.651 -9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.647 37.376 -8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.410 37.848 -9.850 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.034 36.137 -9.898 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.941 37.802 -12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.223 37.303 -13.315 1.00 0.00 H new ATOM 513 N LYS A 58 -6.042 35.375 -6.192 1.00 0.00 N ATOM 514 CA LYS A 58 -7.249 35.176 -5.371 1.00 0.00 C ATOM 515 C LYS A 58 -6.980 35.172 -3.859 1.00 0.00 C ATOM 516 O LYS A 58 -7.939 35.192 -3.094 1.00 0.00 O ATOM 517 CB LYS A 58 -7.953 33.885 -5.799 1.00 0.00 C ATOM 518 CG LYS A 58 -8.668 34.052 -7.152 1.00 0.00 C ATOM 519 CD LYS A 58 -9.022 32.694 -7.762 1.00 0.00 C ATOM 520 CE LYS A 58 -9.951 31.885 -6.857 1.00 0.00 C ATOM 521 NZ LYS A 58 -9.933 30.443 -7.196 1.00 0.00 N ATOM 0 H LYS A 58 -5.621 34.498 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.896 36.035 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.224 33.078 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.677 33.595 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.575 34.640 -7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.028 34.606 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.500 32.845 -8.730 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.108 32.128 -7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.651 32.017 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.968 32.267 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.300 29.893 -6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.528 30.275 -8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.957 30.147 -7.401 1.00 0.00 H new ATOM 535 N LYS A 59 -5.709 35.118 -3.433 1.00 0.00 N ATOM 536 CA LYS A 59 -5.237 35.039 -2.033 1.00 0.00 C ATOM 537 C LYS A 59 -5.997 34.039 -1.139 1.00 0.00 C ATOM 538 O LYS A 59 -6.221 34.280 0.045 1.00 0.00 O ATOM 539 CB LYS A 59 -5.098 36.458 -1.439 1.00 0.00 C ATOM 540 CG LYS A 59 -3.938 37.251 -2.070 1.00 0.00 C ATOM 541 CD LYS A 59 -2.558 36.778 -1.567 1.00 0.00 C ATOM 542 CE LYS A 59 -1.408 37.251 -2.465 1.00 0.00 C ATOM 543 NZ LYS A 59 -1.313 38.730 -2.530 1.00 0.00 N ATOM 0 H LYS A 59 -4.932 35.129 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.243 34.593 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.030 37.003 -1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.940 36.384 -0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.980 37.150 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.060 38.310 -1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.399 37.148 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.548 35.689 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.468 36.845 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.549 36.854 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.511 39.000 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.192 39.117 -2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.169 39.111 -1.573 1.00 0.00 H new ATOM 557 N LEU A 60 -6.376 32.899 -1.723 1.00 0.00 N ATOM 558 CA LEU A 60 -6.968 31.763 -1.008 1.00 0.00 C ATOM 559 C LEU A 60 -5.905 31.087 -0.121 1.00 0.00 C ATOM 560 O LEU A 60 -4.720 31.097 -0.457 1.00 0.00 O ATOM 561 CB LEU A 60 -7.497 30.748 -2.037 1.00 0.00 C ATOM 562 CG LEU A 60 -8.834 31.127 -2.691 1.00 0.00 C ATOM 563 CD1 LEU A 60 -9.112 30.189 -3.871 1.00 0.00 C ATOM 564 CD2 LEU A 60 -9.985 31.031 -1.692 1.00 0.00 C ATOM 0 H LEU A 60 -6.278 32.736 -2.725 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.784 32.115 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.749 30.623 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.610 29.781 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.762 32.158 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.061 30.459 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.311 30.280 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.162 29.160 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.918 31.305 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.058 30.010 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.801 31.710 -0.859 1.00 0.00 H new ATOM 576 N LYS A 61 -6.341 30.445 0.970 1.00 0.00 N ATOM 577 CA LYS A 61 -5.484 29.716 1.926 1.00 0.00 C ATOM 578 C LYS A 61 -5.154 28.286 1.467 1.00 0.00 C ATOM 579 O LYS A 61 -5.268 27.341 2.245 1.00 0.00 O ATOM 580 CB LYS A 61 -6.135 29.680 3.314 1.00 0.00 C ATOM 581 CG LYS A 61 -6.364 31.037 3.995 1.00 0.00 C ATOM 582 CD LYS A 61 -6.529 30.723 5.486 1.00 0.00 C ATOM 583 CE LYS A 61 -7.290 31.748 6.327 1.00 0.00 C ATOM 584 NZ LYS A 61 -8.750 31.525 6.220 1.00 0.00 N ATOM 0 H LYS A 61 -7.329 30.415 1.223 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.543 30.263 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.097 29.174 3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.512 29.070 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.522 31.708 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.250 31.531 3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.039 29.764 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.536 30.599 5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.980 31.674 7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.045 32.756 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.213 31.826 7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.128 32.078 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.936 30.515 6.059 1.00 0.00 H new ATOM 598 N LEU A 62 -4.797 28.132 0.195 1.00 0.00 N ATOM 599 CA LEU A 62 -4.477 26.842 -0.419 1.00 0.00 C ATOM 600 C LEU A 62 -2.955 26.644 -0.477 1.00 0.00 C ATOM 601 O LEU A 62 -2.292 27.242 -1.323 1.00 0.00 O ATOM 602 CB LEU A 62 -5.157 26.737 -1.803 1.00 0.00 C ATOM 603 CG LEU A 62 -6.625 26.308 -1.757 1.00 0.00 C ATOM 604 CD1 LEU A 62 -7.154 26.343 -3.192 1.00 0.00 C ATOM 605 CD2 LEU A 62 -6.769 24.875 -1.254 1.00 0.00 C ATOM 0 H LEU A 62 -4.720 28.916 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.872 26.030 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.090 27.704 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.602 26.024 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.169 26.975 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.202 26.042 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.063 27.354 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.574 25.657 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.824 24.601 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.232 24.200 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.354 24.799 -0.249 1.00 0.00 H new ATOM 617 N ASP A 63 -2.414 25.807 0.416 1.00 0.00 N ATOM 618 CA ASP A 63 -0.991 25.418 0.418 1.00 0.00 C ATOM 619 C ASP A 63 -0.816 24.005 -0.185 1.00 0.00 C ATOM 620 O ASP A 63 -1.783 23.341 -0.570 1.00 0.00 O ATOM 621 CB ASP A 63 -0.347 25.605 1.813 1.00 0.00 C ATOM 622 CG ASP A 63 1.186 25.783 1.766 1.00 0.00 C ATOM 623 OD1 ASP A 63 1.919 24.761 1.745 1.00 0.00 O ATOM 624 OD2 ASP A 63 1.664 26.931 1.693 1.00 0.00 O ATOM 0 H ASP A 63 -2.953 25.374 1.166 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.436 26.093 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.791 26.476 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.585 24.741 2.433 1.00 0.00 H new ATOM 629 N ILE A 64 0.428 23.534 -0.285 1.00 0.00 N ATOM 630 CA ILE A 64 0.810 22.289 -0.964 1.00 0.00 C ATOM 631 C ILE A 64 1.587 21.368 -0.029 1.00 0.00 C ATOM 632 O ILE A 64 2.593 21.775 0.561 1.00 0.00 O ATOM 633 CB ILE A 64 1.681 22.620 -2.207 1.00 0.00 C ATOM 634 CG1 ILE A 64 1.021 23.617 -3.188 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.108 21.345 -2.963 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.294 23.123 -3.792 1.00 0.00 C ATOM 0 H ILE A 64 1.227 24.024 0.118 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.100 21.775 -1.273 1.00 0.00 H new ATOM 0 HB ILE A 64 2.566 23.112 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.838 24.556 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.721 23.832 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.715 21.620 -3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.689 20.706 -2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.222 20.808 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.691 23.880 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.117 22.200 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.013 22.936 -2.994 1.00 0.00 H new ATOM 648 N ASP A 65 1.181 20.104 0.065 1.00 0.00 N ATOM 649 CA ASP A 65 1.945 19.108 0.807 1.00 0.00 C ATOM 650 C ASP A 65 3.199 18.674 0.027 1.00 0.00 C ATOM 651 O ASP A 65 3.163 17.808 -0.857 1.00 0.00 O ATOM 652 CB ASP A 65 1.072 17.927 1.217 1.00 0.00 C ATOM 653 CG ASP A 65 1.900 16.851 1.924 1.00 0.00 C ATOM 654 OD1 ASP A 65 2.995 17.167 2.443 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.443 15.688 1.918 1.00 0.00 O ATOM 0 H ASP A 65 0.327 19.747 -0.364 1.00 0.00 H new ATOM 0 HA ASP A 65 2.294 19.570 1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.276 18.271 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.593 17.501 0.335 1.00 0.00 H new ATOM 660 N LYS A 66 4.335 19.280 0.383 1.00 0.00 N ATOM 661 CA LYS A 66 5.654 18.949 -0.167 1.00 0.00 C ATOM 662 C LYS A 66 6.057 17.477 0.060 1.00 0.00 C ATOM 663 O LYS A 66 6.888 16.980 -0.697 1.00 0.00 O ATOM 664 CB LYS A 66 6.710 19.919 0.405 1.00 0.00 C ATOM 665 CG LYS A 66 6.852 21.263 -0.343 1.00 0.00 C ATOM 666 CD LYS A 66 5.688 22.271 -0.263 1.00 0.00 C ATOM 667 CE LYS A 66 5.495 22.900 1.130 1.00 0.00 C ATOM 668 NZ LYS A 66 4.329 23.824 1.165 1.00 0.00 N ATOM 0 H LYS A 66 4.365 20.029 1.075 1.00 0.00 H new ATOM 0 HA LYS A 66 5.598 19.070 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.461 20.127 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.678 19.418 0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.747 21.759 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.027 21.041 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.860 23.066 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.766 21.768 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.355 22.111 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.397 23.443 1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.313 24.328 2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.408 24.512 0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.450 23.278 1.056 1.00 0.00 H new ATOM 682 N SER A 67 5.482 16.763 1.032 1.00 0.00 N ATOM 683 CA SER A 67 5.869 15.388 1.417 1.00 0.00 C ATOM 684 C SER A 67 5.662 14.335 0.324 1.00 0.00 C ATOM 685 O SER A 67 6.453 13.403 0.211 1.00 0.00 O ATOM 686 CB SER A 67 5.100 14.924 2.664 1.00 0.00 C ATOM 687 OG SER A 67 4.985 15.974 3.598 1.00 0.00 O ATOM 0 H SER A 67 4.713 17.129 1.593 1.00 0.00 H new ATOM 0 HA SER A 67 6.939 15.460 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.108 14.576 2.377 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.615 14.079 3.121 1.00 0.00 H new ATOM 0 HG SER A 67 4.083 16.355 3.553 1.00 0.00 H new ATOM 693 N VAL A 68 4.642 14.490 -0.530 1.00 0.00 N ATOM 694 CA VAL A 68 4.334 13.523 -1.610 1.00 0.00 C ATOM 695 C VAL A 68 5.004 13.901 -2.944 1.00 0.00 C ATOM 696 O VAL A 68 5.018 13.097 -3.874 1.00 0.00 O ATOM 697 CB VAL A 68 2.805 13.308 -1.750 1.00 0.00 C ATOM 698 CG1 VAL A 68 2.440 12.118 -2.654 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.175 12.987 -0.386 1.00 0.00 C ATOM 0 H VAL A 68 4.004 15.285 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 68 4.767 12.565 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 68 2.432 14.237 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.356 12.023 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.841 12.284 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.864 11.203 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.102 12.840 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.623 12.079 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.353 13.815 0.301 1.00 0.00 H new ATOM 709 N ARG A 69 5.616 15.094 -3.041 1.00 0.00 N ATOM 710 CA ARG A 69 6.308 15.629 -4.239 1.00 0.00 C ATOM 711 C ARG A 69 5.530 15.423 -5.560 1.00 0.00 C ATOM 712 O ARG A 69 6.124 15.180 -6.606 1.00 0.00 O ATOM 713 CB ARG A 69 7.761 15.104 -4.325 1.00 0.00 C ATOM 714 CG ARG A 69 8.706 15.508 -3.175 1.00 0.00 C ATOM 715 CD ARG A 69 8.585 14.670 -1.892 1.00 0.00 C ATOM 716 NE ARG A 69 8.878 13.241 -2.107 1.00 0.00 N ATOM 717 CZ ARG A 69 10.068 12.668 -2.084 1.00 0.00 C ATOM 718 NH1 ARG A 69 11.151 13.344 -1.826 1.00 0.00 N ATOM 719 NH2 ARG A 69 10.192 11.391 -2.313 1.00 0.00 N ATOM 0 H ARG A 69 5.646 15.744 -2.256 1.00 0.00 H new ATOM 0 HA ARG A 69 6.347 16.710 -4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.729 14.016 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.195 15.452 -5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.733 15.445 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.519 16.552 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.268 15.066 -1.140 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.576 14.772 -1.492 1.00 0.00 H new ATOM 0 HE ARG A 69 8.080 12.633 -2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.094 14.344 -1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.056 12.873 -1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.366 10.826 -2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.115 10.957 -2.293 1.00 0.00 H new ATOM 733 N HIS A 70 4.193 15.530 -5.526 1.00 0.00 N ATOM 734 CA HIS A 70 3.316 15.393 -6.702 1.00 0.00 C ATOM 735 C HIS A 70 2.368 16.593 -6.848 1.00 0.00 C ATOM 736 O HIS A 70 2.169 17.340 -5.892 1.00 0.00 O ATOM 737 CB HIS A 70 2.618 14.008 -6.714 1.00 0.00 C ATOM 738 CG HIS A 70 1.418 13.770 -5.805 1.00 0.00 C ATOM 739 ND1 HIS A 70 0.901 14.620 -4.866 1.00 0.00 N flip ATOM 740 CD2 HIS A 70 0.612 12.637 -5.801 1.00 0.00 C flip ATOM 741 CE1 HIS A 70 -0.220 14.019 -4.322 1.00 0.00 C flip ATOM 742 NE2 HIS A 70 -0.387 12.821 -4.909 1.00 0.00 N flip ATOM 0 H HIS A 70 3.680 15.718 -4.665 1.00 0.00 H new ATOM 0 HA HIS A 70 3.928 15.417 -7.604 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.298 13.811 -7.737 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.371 13.260 -6.466 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.759 11.757 -6.409 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.854 14.441 -3.556 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.141 12.162 -4.714 1.00 0.00 H new ATOM 751 N LEU A 71 1.739 16.745 -8.016 1.00 0.00 N ATOM 752 CA LEU A 71 0.897 17.902 -8.355 1.00 0.00 C ATOM 753 C LEU A 71 -0.545 17.494 -8.691 1.00 0.00 C ATOM 754 O LEU A 71 -1.189 18.126 -9.517 1.00 0.00 O ATOM 755 CB LEU A 71 1.537 18.731 -9.493 1.00 0.00 C ATOM 756 CG LEU A 71 2.986 19.194 -9.236 1.00 0.00 C ATOM 757 CD1 LEU A 71 4.020 18.230 -9.822 1.00 0.00 C ATOM 758 CD2 LEU A 71 3.224 20.566 -9.873 1.00 0.00 C ATOM 0 H LEU A 71 1.800 16.058 -8.767 1.00 0.00 H new ATOM 0 HA LEU A 71 0.839 18.534 -7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.519 18.137 -10.407 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.918 19.610 -9.672 1.00 0.00 H new ATOM 0 HG LEU A 71 3.107 19.232 -8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.023 18.602 -9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.897 17.246 -9.370 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.878 18.155 -10.900 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.250 20.882 -9.685 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.056 20.502 -10.948 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.536 21.292 -9.440 1.00 0.00 H new ATOM 770 N TYR A 72 -1.035 16.406 -8.101 1.00 0.00 N ATOM 771 CA TYR A 72 -2.424 15.966 -8.237 1.00 0.00 C ATOM 772 C TYR A 72 -3.336 16.657 -7.223 1.00 0.00 C ATOM 773 O TYR A 72 -2.888 17.010 -6.129 1.00 0.00 O ATOM 774 CB TYR A 72 -2.475 14.443 -8.076 1.00 0.00 C ATOM 775 CG TYR A 72 -1.996 13.753 -9.332 1.00 0.00 C ATOM 776 CD1 TYR A 72 -2.732 13.942 -10.515 1.00 0.00 C ATOM 777 CD2 TYR A 72 -0.791 13.025 -9.357 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.261 13.427 -11.730 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.331 12.474 -10.571 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.066 12.675 -11.760 1.00 0.00 C ATOM 781 OH TYR A 72 -0.604 12.157 -12.925 1.00 0.00 O ATOM 0 H TYR A 72 -0.472 15.797 -7.507 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.791 16.243 -9.225 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.855 14.141 -7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.495 14.131 -7.851 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.664 14.486 -10.487 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.221 12.889 -8.450 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.811 13.605 -12.642 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.583 11.899 -10.591 1.00 0.00 H new ATOM 0 HH TYR A 72 0.230 11.670 -12.759 1.00 0.00 H new ATOM 791 N ILE A 73 -4.611 16.819 -7.587 1.00 0.00 N ATOM 792 CA ILE A 73 -5.669 17.381 -6.742 1.00 0.00 C ATOM 793 C ILE A 73 -6.966 16.590 -6.971 1.00 0.00 C ATOM 794 O ILE A 73 -7.137 15.963 -8.023 1.00 0.00 O ATOM 795 CB ILE A 73 -5.872 18.904 -6.986 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.546 19.226 -8.338 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.551 19.688 -6.861 1.00 0.00 C ATOM 798 CD1 ILE A 73 -6.851 20.714 -8.568 1.00 0.00 C ATOM 0 H ILE A 73 -4.947 16.553 -8.512 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.370 17.285 -5.698 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.553 19.227 -6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.901 18.873 -9.143 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.477 18.664 -8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.738 20.747 -7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.142 19.555 -5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.837 19.317 -7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.323 20.842 -9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.524 21.072 -7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.923 21.285 -8.536 1.00 0.00 H new ATOM 810 N CYS A 74 -7.882 16.609 -6.009 1.00 0.00 N ATOM 811 CA CYS A 74 -9.212 16.013 -6.151 1.00 0.00 C ATOM 812 C CYS A 74 -10.175 16.879 -6.998 1.00 0.00 C ATOM 813 O CYS A 74 -10.028 18.105 -7.086 1.00 0.00 O ATOM 814 CB CYS A 74 -9.743 15.714 -4.742 1.00 0.00 C ATOM 815 SG CYS A 74 -10.148 17.222 -3.817 1.00 0.00 S ATOM 0 H CYS A 74 -7.724 17.042 -5.099 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.140 15.083 -6.714 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.632 15.088 -4.818 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.997 15.142 -4.190 1.00 0.00 H new ATOM 820 N ASP A 75 -11.208 16.267 -7.592 1.00 0.00 N ATOM 821 CA ASP A 75 -12.234 16.996 -8.360 1.00 0.00 C ATOM 822 C ASP A 75 -13.002 18.053 -7.527 1.00 0.00 C ATOM 823 O ASP A 75 -13.487 19.055 -8.060 1.00 0.00 O ATOM 824 CB ASP A 75 -13.206 16.023 -9.050 1.00 0.00 C ATOM 825 CG ASP A 75 -12.675 15.585 -10.423 1.00 0.00 C ATOM 826 OD1 ASP A 75 -11.847 14.653 -10.448 1.00 0.00 O ATOM 827 OD2 ASP A 75 -13.049 16.227 -11.434 1.00 0.00 O ATOM 0 H ASP A 75 -11.358 15.259 -7.556 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.693 17.553 -9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.356 15.147 -8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.179 16.500 -9.169 1.00 0.00 H new ATOM 832 N PHE A 76 -13.067 17.872 -6.202 1.00 0.00 N ATOM 833 CA PHE A 76 -13.657 18.828 -5.258 1.00 0.00 C ATOM 834 C PHE A 76 -12.864 20.148 -5.264 1.00 0.00 C ATOM 835 O PHE A 76 -13.416 21.230 -5.480 1.00 0.00 O ATOM 836 CB PHE A 76 -13.689 18.174 -3.865 1.00 0.00 C ATOM 837 CG PHE A 76 -14.737 18.724 -2.919 1.00 0.00 C ATOM 838 CD1 PHE A 76 -14.476 19.876 -2.152 1.00 0.00 C ATOM 839 CD2 PHE A 76 -15.973 18.061 -2.787 1.00 0.00 C ATOM 840 CE1 PHE A 76 -15.440 20.351 -1.246 1.00 0.00 C ATOM 841 CE2 PHE A 76 -16.939 18.539 -1.883 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.669 19.682 -1.107 1.00 0.00 C ATOM 0 H PHE A 76 -12.702 17.036 -5.746 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.677 19.077 -5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.858 17.104 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.708 18.291 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.535 20.395 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -16.179 17.183 -3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.236 21.232 -0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -17.886 18.030 -1.784 1.00 0.00 H new ATOM 0 HZ PHE A 76 -17.405 20.045 -0.405 1.00 0.00 H new ATOM 852 N HIS A 77 -11.536 20.049 -5.126 1.00 0.00 N ATOM 853 CA HIS A 77 -10.633 21.198 -5.223 1.00 0.00 C ATOM 854 C HIS A 77 -10.521 21.761 -6.644 1.00 0.00 C ATOM 855 O HIS A 77 -10.479 22.982 -6.809 1.00 0.00 O ATOM 856 CB HIS A 77 -9.267 20.843 -4.617 1.00 0.00 C ATOM 857 CG HIS A 77 -9.221 21.145 -3.128 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.873 20.250 -2.088 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.524 22.357 -2.583 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.990 20.986 -0.949 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.383 22.244 -1.221 1.00 0.00 N ATOM 0 H HIS A 77 -11.058 19.167 -4.943 1.00 0.00 H new ATOM 0 HA HIS A 77 -11.066 22.010 -4.639 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.059 19.786 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.485 21.405 -5.127 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.821 23.244 -3.123 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.793 20.609 0.044 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.547 22.983 -0.537 1.00 0.00 H new ATOM 869 N LYS A 78 -10.540 20.905 -7.675 1.00 0.00 N ATOM 870 CA LYS A 78 -10.576 21.327 -9.088 1.00 0.00 C ATOM 871 C LYS A 78 -11.744 22.284 -9.321 1.00 0.00 C ATOM 872 O LYS A 78 -11.547 23.330 -9.940 1.00 0.00 O ATOM 873 CB LYS A 78 -10.731 20.077 -9.967 1.00 0.00 C ATOM 874 CG LYS A 78 -11.138 20.260 -11.449 1.00 0.00 C ATOM 875 CD LYS A 78 -11.572 18.890 -12.003 1.00 0.00 C ATOM 876 CE LYS A 78 -12.497 18.886 -13.222 1.00 0.00 C ATOM 877 NZ LYS A 78 -11.766 19.172 -14.477 1.00 0.00 N ATOM 0 H LYS A 78 -10.531 19.892 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.653 21.847 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.783 19.539 -9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.473 19.432 -9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.953 20.979 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.302 20.656 -12.026 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.673 18.330 -12.260 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.069 18.344 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.987 17.916 -13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.282 19.629 -13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.431 19.159 -15.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.319 20.109 -14.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.033 18.449 -14.625 1.00 0.00 H new ATOM 891 N ASN A 79 -12.941 21.943 -8.829 1.00 0.00 N ATOM 892 CA ASN A 79 -14.109 22.817 -8.940 1.00 0.00 C ATOM 893 C ASN A 79 -13.925 24.091 -8.101 1.00 0.00 C ATOM 894 O ASN A 79 -14.105 25.177 -8.640 1.00 0.00 O ATOM 895 CB ASN A 79 -15.406 22.059 -8.596 1.00 0.00 C ATOM 896 CG ASN A 79 -16.659 22.771 -9.114 1.00 0.00 C ATOM 897 OD1 ASN A 79 -16.859 23.964 -8.955 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.538 22.064 -9.787 1.00 0.00 N ATOM 0 H ASN A 79 -13.124 21.062 -8.348 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.203 23.136 -9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.360 21.056 -9.021 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.479 21.943 -7.515 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.371 22.514 -10.167 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.387 21.065 -9.930 1.00 0.00 H new ATOM 905 N PHE A 80 -13.471 24.000 -6.841 1.00 0.00 N ATOM 906 CA PHE A 80 -13.292 25.170 -5.963 1.00 0.00 C ATOM 907 C PHE A 80 -12.510 26.321 -6.616 1.00 0.00 C ATOM 908 O PHE A 80 -12.929 27.480 -6.590 1.00 0.00 O ATOM 909 CB PHE A 80 -12.587 24.740 -4.668 1.00 0.00 C ATOM 910 CG PHE A 80 -12.402 25.883 -3.693 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.544 26.498 -3.142 1.00 0.00 C ATOM 912 CD2 PHE A 80 -11.114 26.338 -3.338 1.00 0.00 C ATOM 913 CE1 PHE A 80 -13.409 27.562 -2.235 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.991 27.410 -2.442 1.00 0.00 C ATOM 915 CZ PHE A 80 -12.129 28.014 -1.882 1.00 0.00 C ATOM 0 H PHE A 80 -13.218 23.115 -6.402 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.291 25.554 -5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.166 23.950 -4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.613 24.317 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.528 26.149 -3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.234 25.867 -3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.286 28.029 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.009 27.776 -2.179 1.00 0.00 H new ATOM 0 HZ PHE A 80 -12.018 28.827 -1.179 1.00 0.00 H new ATOM 925 N ILE A 81 -11.395 26.013 -7.278 1.00 0.00 N ATOM 926 CA ILE A 81 -10.557 27.044 -7.895 1.00 0.00 C ATOM 927 C ILE A 81 -11.304 27.766 -9.033 1.00 0.00 C ATOM 928 O ILE A 81 -11.114 28.973 -9.200 1.00 0.00 O ATOM 929 CB ILE A 81 -9.219 26.438 -8.376 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.465 25.793 -7.185 1.00 0.00 C ATOM 931 CG2 ILE A 81 -8.338 27.505 -9.073 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.346 24.847 -7.629 1.00 0.00 C ATOM 0 H ILE A 81 -11.051 25.061 -7.401 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.328 27.797 -7.141 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.440 25.663 -9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.042 26.580 -6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.175 25.243 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.404 27.048 -9.400 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.868 27.906 -9.937 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.122 28.312 -8.373 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.855 24.427 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.768 24.041 -8.230 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.617 25.399 -8.223 1.00 0.00 H new ATOM 944 N GLN A 82 -12.175 27.066 -9.767 1.00 0.00 N ATOM 945 CA GLN A 82 -13.013 27.653 -10.813 1.00 0.00 C ATOM 946 C GLN A 82 -14.219 28.386 -10.214 1.00 0.00 C ATOM 947 O GLN A 82 -14.485 29.523 -10.584 1.00 0.00 O ATOM 948 CB GLN A 82 -13.476 26.560 -11.788 1.00 0.00 C ATOM 949 CG GLN A 82 -12.325 25.769 -12.430 1.00 0.00 C ATOM 950 CD GLN A 82 -11.175 26.645 -12.923 1.00 0.00 C ATOM 951 OE1 GLN A 82 -11.310 27.535 -13.740 1.00 0.00 O ATOM 952 NE2 GLN A 82 -9.982 26.460 -12.402 1.00 0.00 N ATOM 0 H GLN A 82 -12.318 26.063 -9.648 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.418 28.386 -11.357 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -14.129 25.867 -11.258 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -14.072 27.019 -12.576 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.939 25.053 -11.704 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.716 25.193 -13.269 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.835 25.722 -11.714 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.204 27.055 -12.686 1.00 0.00 H new ATOM 961 N SER A 83 -14.901 27.798 -9.227 1.00 0.00 N ATOM 962 CA SER A 83 -16.013 28.423 -8.499 1.00 0.00 C ATOM 963 C SER A 83 -15.642 29.822 -7.985 1.00 0.00 C ATOM 964 O SER A 83 -16.269 30.807 -8.376 1.00 0.00 O ATOM 965 CB SER A 83 -16.452 27.500 -7.357 1.00 0.00 C ATOM 966 OG SER A 83 -17.570 28.047 -6.687 1.00 0.00 O ATOM 0 H SER A 83 -14.692 26.853 -8.903 1.00 0.00 H new ATOM 0 HA SER A 83 -16.849 28.560 -9.185 1.00 0.00 H new ATOM 0 HB2 SER A 83 -16.702 26.515 -7.752 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.630 27.363 -6.655 1.00 0.00 H new ATOM 0 HG SER A 83 -17.842 27.447 -5.961 1.00 0.00 H new ATOM 972 N VAL A 84 -14.537 29.938 -7.236 1.00 0.00 N ATOM 973 CA VAL A 84 -14.027 31.227 -6.722 1.00 0.00 C ATOM 974 C VAL A 84 -13.345 32.085 -7.810 1.00 0.00 C ATOM 975 O VAL A 84 -12.962 33.222 -7.550 1.00 0.00 O ATOM 976 CB VAL A 84 -13.096 31.013 -5.504 1.00 0.00 C ATOM 977 CG1 VAL A 84 -12.819 32.298 -4.708 1.00 0.00 C ATOM 978 CG2 VAL A 84 -13.646 30.004 -4.495 1.00 0.00 C ATOM 0 H VAL A 84 -13.965 29.138 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.897 31.794 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.179 30.644 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.160 32.072 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.342 33.032 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -13.759 32.703 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.946 29.900 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -14.607 30.354 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -13.778 29.038 -4.982 1.00 0.00 H new ATOM 988 N ARG A 85 -13.122 31.587 -9.037 1.00 0.00 N ATOM 989 CA ARG A 85 -12.596 32.430 -10.137 1.00 0.00 C ATOM 990 C ARG A 85 -13.684 33.363 -10.684 1.00 0.00 C ATOM 991 O ARG A 85 -13.357 34.435 -11.206 1.00 0.00 O ATOM 992 CB ARG A 85 -11.998 31.550 -11.256 1.00 0.00 C ATOM 993 CG ARG A 85 -11.392 32.268 -12.476 1.00 0.00 C ATOM 994 CD ARG A 85 -10.137 33.099 -12.174 1.00 0.00 C ATOM 995 NE ARG A 85 -10.439 34.371 -11.492 1.00 0.00 N ATOM 996 CZ ARG A 85 -9.550 35.256 -11.074 1.00 0.00 C ATOM 997 NH1 ARG A 85 -8.267 35.065 -11.230 1.00 0.00 N ATOM 998 NH2 ARG A 85 -9.947 36.348 -10.490 1.00 0.00 N ATOM 0 H ARG A 85 -13.294 30.616 -9.297 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.798 33.055 -9.737 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.222 30.924 -10.814 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -12.781 30.882 -11.614 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.145 31.523 -13.233 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.149 32.922 -12.908 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.460 32.512 -11.553 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.613 33.309 -13.107 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.422 34.588 -11.328 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.929 34.216 -11.684 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.603 35.765 -10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.943 36.521 -10.355 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.262 37.032 -10.167 1.00 0.00 H new ATOM 1012 N ASN A 86 -14.951 32.957 -10.561 1.00 0.00 N ATOM 1013 CA ASN A 86 -16.134 33.651 -11.068 1.00 0.00 C ATOM 1014 C ASN A 86 -16.606 34.799 -10.158 1.00 0.00 C ATOM 1015 O ASN A 86 -16.239 34.901 -8.989 1.00 0.00 O ATOM 1016 CB ASN A 86 -17.263 32.620 -11.229 1.00 0.00 C ATOM 1017 CG ASN A 86 -16.912 31.535 -12.229 1.00 0.00 C ATOM 1018 OD1 ASN A 86 -16.543 31.821 -13.354 1.00 0.00 O ATOM 1019 ND2 ASN A 86 -17.017 30.285 -11.851 1.00 0.00 N ATOM 0 H ASN A 86 -15.189 32.090 -10.080 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.869 34.108 -12.021 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -17.477 32.165 -10.262 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -18.172 33.127 -11.551 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.788 29.534 -12.502 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.327 30.063 -10.905 1.00 0.00 H new ATOM 1026 N LYS A 87 -17.499 35.644 -10.685 1.00 0.00 N ATOM 1027 CA LYS A 87 -18.054 36.821 -9.996 1.00 0.00 C ATOM 1028 C LYS A 87 -19.234 36.454 -9.066 1.00 0.00 C ATOM 1029 O LYS A 87 -20.328 36.998 -9.185 1.00 0.00 O ATOM 1030 CB LYS A 87 -18.424 37.916 -11.026 1.00 0.00 C ATOM 1031 CG LYS A 87 -17.249 38.559 -11.795 1.00 0.00 C ATOM 1032 CD LYS A 87 -16.635 37.700 -12.918 1.00 0.00 C ATOM 1033 CE LYS A 87 -15.690 38.549 -13.779 1.00 0.00 C ATOM 1034 NZ LYS A 87 -15.122 37.771 -14.912 1.00 0.00 N ATOM 0 H LYS A 87 -17.868 35.527 -11.629 1.00 0.00 H new ATOM 0 HA LYS A 87 -17.284 37.227 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.112 37.484 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.965 38.706 -10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.593 39.498 -12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.463 38.806 -11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.090 36.860 -12.487 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.427 37.281 -13.539 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.230 39.413 -14.167 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.879 38.932 -13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.489 38.380 -15.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.585 36.961 -14.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.894 37.427 -15.518 1.00 0.00 H new ATOM 1048 N ARG A 88 -19.062 35.449 -8.200 1.00 0.00 N ATOM 1049 CA ARG A 88 -20.137 34.932 -7.329 1.00 0.00 C ATOM 1050 C ARG A 88 -20.562 35.983 -6.286 1.00 0.00 C ATOM 1051 O ARG A 88 -19.720 36.659 -5.703 1.00 0.00 O ATOM 1052 CB ARG A 88 -19.643 33.624 -6.678 1.00 0.00 C ATOM 1053 CG ARG A 88 -20.741 32.729 -6.075 1.00 0.00 C ATOM 1054 CD ARG A 88 -21.691 32.142 -7.133 1.00 0.00 C ATOM 1055 NE ARG A 88 -22.601 31.134 -6.545 1.00 0.00 N ATOM 1056 CZ ARG A 88 -23.727 30.669 -7.066 1.00 0.00 C ATOM 1057 NH1 ARG A 88 -24.217 31.102 -8.194 1.00 0.00 N ATOM 1058 NH2 ARG A 88 -24.404 29.738 -6.453 1.00 0.00 N ATOM 0 H ARG A 88 -18.172 34.966 -8.079 1.00 0.00 H new ATOM 0 HA ARG A 88 -21.029 34.719 -7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -19.100 33.048 -7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -18.931 33.876 -5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -20.274 31.914 -5.523 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -21.321 33.309 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -22.276 32.944 -7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -21.109 31.685 -7.933 1.00 0.00 H new ATOM 0 HE ARG A 88 -22.331 30.755 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -23.729 31.830 -8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -25.088 30.712 -8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -24.068 29.363 -5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -25.270 29.385 -6.860 1.00 0.00 H new ATOM 1072 N LYS A 89 -21.864 36.069 -5.964 1.00 0.00 N ATOM 1073 CA LYS A 89 -22.450 36.983 -4.941 1.00 0.00 C ATOM 1074 C LYS A 89 -22.136 36.597 -3.470 1.00 0.00 C ATOM 1075 O LYS A 89 -22.968 36.747 -2.572 1.00 0.00 O ATOM 1076 CB LYS A 89 -23.958 37.178 -5.225 1.00 0.00 C ATOM 1077 CG LYS A 89 -24.480 38.533 -4.698 1.00 0.00 C ATOM 1078 CD LYS A 89 -25.923 38.846 -5.135 1.00 0.00 C ATOM 1079 CE LYS A 89 -26.997 37.998 -4.435 1.00 0.00 C ATOM 1080 NZ LYS A 89 -27.171 38.386 -3.011 1.00 0.00 N ATOM 0 H LYS A 89 -22.570 35.489 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.952 37.947 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -24.135 37.115 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -24.521 36.368 -4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -24.430 38.534 -3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -23.822 39.328 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -26.127 39.899 -4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -26.004 38.696 -6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -27.946 38.109 -4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -26.722 36.945 -4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -27.904 37.790 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -26.273 38.256 -2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -27.458 39.384 -2.956 1.00 0.00 H new ATOM 1094 N ARG A 90 -20.936 36.059 -3.242 1.00 0.00 N ATOM 1095 CA ARG A 90 -20.304 35.660 -1.975 1.00 0.00 C ATOM 1096 C ARG A 90 -18.796 35.836 -2.166 1.00 0.00 C ATOM 1097 O ARG A 90 -18.222 35.209 -3.047 1.00 0.00 O ATOM 1098 CB ARG A 90 -20.603 34.174 -1.664 1.00 0.00 C ATOM 1099 CG ARG A 90 -21.873 33.913 -0.840 1.00 0.00 C ATOM 1100 CD ARG A 90 -21.690 34.312 0.633 1.00 0.00 C ATOM 1101 NE ARG A 90 -22.808 33.842 1.474 1.00 0.00 N ATOM 1102 CZ ARG A 90 -23.885 34.513 1.839 1.00 0.00 C ATOM 1103 NH1 ARG A 90 -24.117 35.732 1.436 1.00 0.00 N ATOM 1104 NH2 ARG A 90 -24.761 33.964 2.631 1.00 0.00 N ATOM 0 H ARG A 90 -20.311 35.870 -4.026 1.00 0.00 H new ATOM 0 HA ARG A 90 -20.685 36.263 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -20.685 33.633 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.751 33.754 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -22.705 34.473 -1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -22.135 32.857 -0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -20.754 33.897 1.008 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -21.610 35.396 0.708 1.00 0.00 H new ATOM 0 HE ARG A 90 -22.741 32.883 1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -23.455 36.199 0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -24.961 36.218 1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -24.616 33.013 2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -25.592 34.485 2.911 1.00 0.00 H new ATOM 1118 N LYS A 91 -18.172 36.672 -1.331 1.00 0.00 N ATOM 1119 CA LYS A 91 -16.710 36.915 -1.310 1.00 0.00 C ATOM 1120 C LYS A 91 -16.086 36.605 0.059 1.00 0.00 C ATOM 1121 O LYS A 91 -14.961 36.997 0.333 1.00 0.00 O ATOM 1122 CB LYS A 91 -16.395 38.363 -1.733 1.00 0.00 C ATOM 1123 CG LYS A 91 -16.872 38.722 -3.147 1.00 0.00 C ATOM 1124 CD LYS A 91 -16.258 40.028 -3.687 1.00 0.00 C ATOM 1125 CE LYS A 91 -16.586 41.298 -2.879 1.00 0.00 C ATOM 1126 NZ LYS A 91 -15.703 41.481 -1.695 1.00 0.00 N ATOM 0 H LYS A 91 -18.674 37.217 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.261 36.230 -2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.857 39.047 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.318 38.521 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.624 37.905 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.958 38.814 -3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.175 39.912 -3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.599 40.173 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.497 42.168 -3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.623 41.253 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.282 41.511 -0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -15.033 40.688 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.176 42.373 -1.789 1.00 0.00 H new ATOM 1140 N THR A 92 -16.868 35.963 0.923 1.00 0.00 N ATOM 1141 CA THR A 92 -16.599 35.626 2.328 1.00 0.00 C ATOM 1142 C THR A 92 -17.523 34.468 2.723 1.00 0.00 C ATOM 1143 O THR A 92 -18.603 34.300 2.139 1.00 0.00 O ATOM 1144 CB THR A 92 -16.882 36.805 3.284 1.00 0.00 C ATOM 1145 OG1 THR A 92 -18.151 37.368 3.026 1.00 0.00 O ATOM 1146 CG2 THR A 92 -15.871 37.947 3.187 1.00 0.00 C ATOM 0 H THR A 92 -17.790 35.634 0.637 1.00 0.00 H new ATOM 0 HA THR A 92 -15.544 35.367 2.414 1.00 0.00 H new ATOM 0 HB THR A 92 -16.820 36.365 4.279 1.00 0.00 H new ATOM 0 HG1 THR A 92 -18.311 38.112 3.644 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.142 38.734 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.876 37.573 3.427 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.873 38.350 2.174 1.00 0.00 H new TER 1154 THR A 92 HETATM 1155 ZN ZN A 100 -8.524 18.236 -2.460 1.00 0.00 ZN