USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 TYR OH : rot 180:sc= 0.471 USER MOD Set 1.2: A 60 LYS NZ :NH3+ -154:sc= 0.515 (180deg=0.22) USER MOD Set 1.3: A 66 TYR OH : rot -41:sc= 0.942 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0.0645 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= 0.513 (180deg=0.319) USER MOD Single : A 19 TYR OH : rot -157:sc= 0.992 USER MOD Single : A 21 GLN : amide:sc= -0.0927 K(o=-0.093,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 1.49 (180deg=1.11) USER MOD Single : A 25 LYS NZ :NH3+ 135:sc= 0.00803 (180deg=-1.47!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 180:sc=0.000354 USER MOD Single : A 37 CYS SG : rot 87:sc= 0.787 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= 1.04 K(o=1,f=-5.4!) USER MOD Single : A 59 SER OG : rot 115:sc= 1.73 USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= 1.19 (180deg=0.696) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0304 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 3.05 (180deg=2.78) USER MOD Single : A 75 LYS NZ :NH3+ 142:sc= 0.631 (180deg=-0.459) USER MOD Single : A 78 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 81 LYS NZ :NH3+ -126:sc= -0.512! (180deg=-0.731!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 CYS SG : rot -32:sc= 0.00592 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 5.819 0.307 -2.342 1.00 0.00 N ATOM 21 CA ALA A 2 6.246 1.659 -2.722 1.00 0.00 C ATOM 22 C ALA A 2 5.117 2.303 -3.544 1.00 0.00 C ATOM 23 O ALA A 2 4.095 1.655 -3.790 1.00 0.00 O ATOM 24 CB ALA A 2 7.557 1.575 -3.523 1.00 0.00 C ATOM 0 HA ALA A 2 6.437 2.274 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.875 2.578 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.329 1.109 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.397 0.978 -4.421 1.00 0.00 H new ATOM 30 N LEU A 3 5.305 3.545 -3.996 1.00 0.00 N ATOM 31 CA LEU A 3 4.513 4.168 -5.049 1.00 0.00 C ATOM 32 C LEU A 3 5.346 4.266 -6.340 1.00 0.00 C ATOM 33 O LEU A 3 6.567 4.133 -6.296 1.00 0.00 O ATOM 34 CB LEU A 3 4.073 5.569 -4.584 1.00 0.00 C ATOM 35 CG LEU A 3 2.782 6.014 -5.276 1.00 0.00 C ATOM 36 CD1 LEU A 3 1.675 6.375 -4.283 1.00 0.00 C ATOM 37 CD2 LEU A 3 3.100 7.239 -6.107 1.00 0.00 C ATOM 0 H LEU A 3 6.032 4.158 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 3 3.629 3.564 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.924 5.564 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.865 6.288 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 3 2.419 5.185 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.783 6.683 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.441 5.507 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.011 7.193 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.197 7.580 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.474 8.032 -5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.859 6.989 -6.848 1.00 0.00 H new ATOM 49 N ALA A 4 4.695 4.603 -7.451 1.00 0.00 N ATOM 50 CA ALA A 4 5.317 4.948 -8.731 1.00 0.00 C ATOM 51 C ALA A 4 4.722 6.238 -9.309 1.00 0.00 C ATOM 52 O ALA A 4 3.504 6.455 -9.239 1.00 0.00 O ATOM 53 CB ALA A 4 5.167 3.762 -9.692 1.00 0.00 C ATOM 0 H ALA A 4 3.677 4.645 -7.487 1.00 0.00 H new ATOM 0 HA ALA A 4 6.379 5.144 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.627 4.009 -10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.658 2.886 -9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.109 3.547 -9.843 1.00 0.00 H new ATOM 59 N VAL A 5 5.570 7.094 -9.884 1.00 0.00 N ATOM 60 CA VAL A 5 5.172 8.406 -10.429 1.00 0.00 C ATOM 61 C VAL A 5 5.685 8.551 -11.849 1.00 0.00 C ATOM 62 O VAL A 5 6.697 7.979 -12.243 1.00 0.00 O ATOM 63 CB VAL A 5 5.616 9.585 -9.537 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.101 10.974 -9.944 1.00 0.00 C ATOM 65 CG2 VAL A 5 5.172 9.357 -8.101 1.00 0.00 C ATOM 0 H VAL A 5 6.566 6.899 -9.988 1.00 0.00 H new ATOM 0 HA VAL A 5 4.083 8.442 -10.442 1.00 0.00 H new ATOM 0 HB VAL A 5 6.699 9.596 -9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.478 11.721 -9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.448 11.211 -10.950 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.011 10.978 -9.926 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.492 10.196 -7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.086 9.273 -8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.619 8.438 -7.723 1.00 0.00 H new ATOM 75 N ARG A 6 4.949 9.320 -12.636 1.00 0.00 N ATOM 76 CA ARG A 6 5.160 9.514 -14.070 1.00 0.00 C ATOM 77 C ARG A 6 5.251 10.989 -14.434 1.00 0.00 C ATOM 78 O ARG A 6 4.591 11.814 -13.803 1.00 0.00 O ATOM 79 CB ARG A 6 4.037 8.803 -14.862 1.00 0.00 C ATOM 80 CG ARG A 6 4.617 7.683 -15.730 1.00 0.00 C ATOM 81 CD ARG A 6 5.080 6.489 -14.887 1.00 0.00 C ATOM 82 NE ARG A 6 6.011 5.619 -15.612 1.00 0.00 N ATOM 83 CZ ARG A 6 6.839 4.755 -15.058 1.00 0.00 C ATOM 84 NH1 ARG A 6 6.870 4.529 -13.772 1.00 0.00 N ATOM 85 NH2 ARG A 6 7.722 4.142 -15.778 1.00 0.00 N ATOM 0 H ARG A 6 4.153 9.851 -12.282 1.00 0.00 H new ATOM 0 HA ARG A 6 6.117 9.069 -14.341 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.302 8.391 -14.171 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.515 9.524 -15.490 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.865 7.352 -16.446 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.458 8.069 -16.306 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.560 6.854 -13.979 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.211 5.908 -14.577 1.00 0.00 H new ATOM 0 HE ARG A 6 6.019 5.688 -16.630 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.236 5.031 -13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.529 3.851 -13.389 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.780 4.326 -16.780 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.360 3.475 -15.344 1.00 0.00 H new ATOM 99 N VAL A 7 5.966 11.275 -15.520 1.00 0.00 N ATOM 100 CA VAL A 7 6.026 12.545 -16.252 1.00 0.00 C ATOM 101 C VAL A 7 5.905 12.226 -17.742 1.00 0.00 C ATOM 102 O VAL A 7 6.883 11.793 -18.356 1.00 0.00 O ATOM 103 CB VAL A 7 7.328 13.349 -16.000 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.121 14.807 -16.438 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.876 13.301 -14.573 1.00 0.00 C ATOM 0 H VAL A 7 6.567 10.571 -15.947 1.00 0.00 H new ATOM 0 HA VAL A 7 5.211 13.175 -15.897 1.00 0.00 H new ATOM 0 HB VAL A 7 8.091 12.855 -16.601 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.035 15.373 -16.261 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.875 14.837 -17.499 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.305 15.247 -15.864 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.787 13.897 -14.513 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.133 13.703 -13.884 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.100 12.269 -14.304 1.00 0.00 H new ATOM 115 N VAL A 8 4.721 12.376 -18.330 1.00 0.00 N ATOM 116 CA VAL A 8 4.642 12.462 -19.800 1.00 0.00 C ATOM 117 C VAL A 8 5.339 13.752 -20.217 1.00 0.00 C ATOM 118 O VAL A 8 5.163 14.770 -19.554 1.00 0.00 O ATOM 119 CB VAL A 8 3.196 12.428 -20.331 1.00 0.00 C ATOM 120 CG1 VAL A 8 3.160 12.446 -21.869 1.00 0.00 C ATOM 121 CG2 VAL A 8 2.478 11.152 -19.868 1.00 0.00 C ATOM 0 H VAL A 8 3.829 12.439 -17.840 1.00 0.00 H new ATOM 0 HA VAL A 8 5.130 11.588 -20.232 1.00 0.00 H new ATOM 0 HB VAL A 8 2.698 13.315 -19.938 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.125 12.421 -22.209 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.640 13.354 -22.234 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.690 11.575 -22.256 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.459 11.148 -20.254 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.011 10.278 -20.242 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.454 11.123 -18.779 1.00 0.00 H new ATOM 131 N TYR A 9 6.138 13.719 -21.284 1.00 0.00 N ATOM 132 CA TYR A 9 6.587 14.907 -22.014 1.00 0.00 C ATOM 133 C TYR A 9 6.812 14.524 -23.489 1.00 0.00 C ATOM 134 O TYR A 9 6.549 13.383 -23.869 1.00 0.00 O ATOM 135 CB TYR A 9 7.837 15.481 -21.313 1.00 0.00 C ATOM 136 CG TYR A 9 8.323 16.863 -21.729 1.00 0.00 C ATOM 137 CD1 TYR A 9 7.405 17.901 -21.982 1.00 0.00 C ATOM 138 CD2 TYR A 9 9.702 17.144 -21.744 1.00 0.00 C ATOM 139 CE1 TYR A 9 7.854 19.213 -22.222 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.162 18.459 -21.968 1.00 0.00 C ATOM 141 CZ TYR A 9 9.235 19.498 -22.206 1.00 0.00 C ATOM 142 OH TYR A 9 9.657 20.782 -22.382 1.00 0.00 O ATOM 0 H TYR A 9 6.499 12.848 -21.674 1.00 0.00 H new ATOM 0 HA TYR A 9 5.839 15.700 -22.008 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.636 15.507 -20.242 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.657 14.779 -21.467 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.346 17.688 -21.992 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.413 16.347 -21.583 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.142 20.001 -22.418 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.221 18.671 -21.958 1.00 0.00 H new ATOM 0 HH TYR A 9 10.636 20.813 -22.344 1.00 0.00 H new ATOM 152 N SER A 10 7.295 15.434 -24.336 1.00 0.00 N ATOM 153 CA SER A 10 7.809 15.088 -25.655 1.00 0.00 C ATOM 154 C SER A 10 9.337 14.966 -25.643 1.00 0.00 C ATOM 155 O SER A 10 10.027 15.502 -24.774 1.00 0.00 O ATOM 156 CB SER A 10 7.356 16.120 -26.686 1.00 0.00 C ATOM 157 OG SER A 10 7.916 17.399 -26.444 1.00 0.00 O ATOM 0 H SER A 10 7.339 16.431 -24.124 1.00 0.00 H new ATOM 0 HA SER A 10 7.403 14.115 -25.933 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.640 15.784 -27.683 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.269 16.193 -26.671 1.00 0.00 H new ATOM 0 HG SER A 10 7.602 18.028 -27.127 1.00 0.00 H new ATOM 163 N GLY A 11 9.885 14.304 -26.658 1.00 0.00 N ATOM 164 CA GLY A 11 11.321 14.111 -26.911 1.00 0.00 C ATOM 165 C GLY A 11 12.074 15.365 -27.391 1.00 0.00 C ATOM 166 O GLY A 11 12.927 15.265 -28.268 1.00 0.00 O ATOM 0 H GLY A 11 9.309 13.859 -27.372 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.791 13.753 -25.995 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.440 13.326 -27.658 1.00 0.00 H new ATOM 170 N ALA A 12 11.768 16.539 -26.829 1.00 0.00 N ATOM 171 CA ALA A 12 12.211 17.890 -27.217 1.00 0.00 C ATOM 172 C ALA A 12 13.730 18.198 -27.082 1.00 0.00 C ATOM 173 O ALA A 12 14.117 19.359 -26.950 1.00 0.00 O ATOM 174 CB ALA A 12 11.370 18.876 -26.391 1.00 0.00 C ATOM 0 H ALA A 12 11.149 16.576 -26.019 1.00 0.00 H new ATOM 0 HA ALA A 12 12.055 17.983 -28.292 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.658 19.897 -26.640 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.314 18.732 -26.617 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.541 18.699 -25.329 1.00 0.00 H new ATOM 180 N CYS A 13 14.603 17.183 -27.096 1.00 0.00 N ATOM 181 CA CYS A 13 16.001 17.237 -26.649 1.00 0.00 C ATOM 182 C CYS A 13 16.129 17.716 -25.180 1.00 0.00 C ATOM 183 O CYS A 13 15.131 17.967 -24.507 1.00 0.00 O ATOM 184 CB CYS A 13 16.822 18.056 -27.664 1.00 0.00 C ATOM 185 SG CYS A 13 18.593 17.670 -27.532 1.00 0.00 S ATOM 0 H CYS A 13 14.341 16.257 -27.436 1.00 0.00 H new ATOM 0 HA CYS A 13 16.422 16.232 -26.630 1.00 0.00 H new ATOM 0 HB2 CYS A 13 16.474 17.843 -28.675 1.00 0.00 H new ATOM 0 HB3 CYS A 13 16.664 19.120 -27.490 1.00 0.00 H new ATOM 0 HG CYS A 13 19.256 18.374 -28.401 1.00 0.00 H new ATOM 191 N GLY A 14 17.345 17.752 -24.625 1.00 0.00 N ATOM 192 CA GLY A 14 17.706 18.320 -23.310 1.00 0.00 C ATOM 193 C GLY A 14 17.007 17.801 -22.034 1.00 0.00 C ATOM 194 O GLY A 14 17.443 18.147 -20.941 1.00 0.00 O ATOM 0 H GLY A 14 18.156 17.364 -25.106 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.778 18.175 -23.176 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.534 19.395 -23.361 1.00 0.00 H new ATOM 198 N TYR A 15 15.949 16.987 -22.124 1.00 0.00 N ATOM 199 CA TYR A 15 15.029 16.714 -21.015 1.00 0.00 C ATOM 200 C TYR A 15 15.689 16.084 -19.784 1.00 0.00 C ATOM 201 O TYR A 15 15.425 16.533 -18.670 1.00 0.00 O ATOM 202 CB TYR A 15 13.839 15.874 -21.515 1.00 0.00 C ATOM 203 CG TYR A 15 14.147 14.414 -21.816 1.00 0.00 C ATOM 204 CD1 TYR A 15 14.667 14.043 -23.072 1.00 0.00 C ATOM 205 CD2 TYR A 15 13.908 13.426 -20.839 1.00 0.00 C ATOM 206 CE1 TYR A 15 14.957 12.693 -23.348 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.196 12.073 -21.111 1.00 0.00 C ATOM 208 CZ TYR A 15 14.719 11.704 -22.369 1.00 0.00 C ATOM 209 OH TYR A 15 14.985 10.399 -22.641 1.00 0.00 O ATOM 0 H TYR A 15 15.705 16.492 -22.982 1.00 0.00 H new ATOM 0 HA TYR A 15 14.670 17.682 -20.666 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.049 15.913 -20.765 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.444 16.338 -22.419 1.00 0.00 H new ATOM 0 HD1 TYR A 15 14.844 14.796 -23.825 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.503 13.707 -19.878 1.00 0.00 H new ATOM 0 HE1 TYR A 15 15.362 12.414 -24.310 1.00 0.00 H new ATOM 0 HE2 TYR A 15 14.017 11.320 -20.358 1.00 0.00 H new ATOM 0 HH TYR A 15 14.766 9.851 -21.859 1.00 0.00 H new ATOM 219 N LYS A 16 16.560 15.078 -19.974 1.00 0.00 N ATOM 220 CA LYS A 16 17.125 14.231 -18.906 1.00 0.00 C ATOM 221 C LYS A 16 17.608 15.005 -17.670 1.00 0.00 C ATOM 222 O LYS A 16 17.099 14.696 -16.596 1.00 0.00 O ATOM 223 CB LYS A 16 18.191 13.254 -19.439 1.00 0.00 C ATOM 224 CG LYS A 16 17.568 12.145 -20.299 1.00 0.00 C ATOM 225 CD LYS A 16 18.556 11.001 -20.566 1.00 0.00 C ATOM 226 CE LYS A 16 17.842 9.880 -21.333 1.00 0.00 C ATOM 227 NZ LYS A 16 18.688 8.666 -21.464 1.00 0.00 N ATOM 0 H LYS A 16 16.901 14.823 -20.901 1.00 0.00 H new ATOM 0 HA LYS A 16 16.286 13.633 -18.549 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.925 13.803 -20.029 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.726 12.807 -18.601 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.684 11.751 -19.798 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.235 12.566 -21.248 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.406 11.367 -21.142 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.950 10.619 -19.624 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.916 9.622 -20.819 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.567 10.238 -22.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.167 7.935 -21.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.560 8.905 -21.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.930 8.308 -20.518 1.00 0.00 H new ATOM 241 N PRO A 17 18.513 15.997 -17.755 1.00 0.00 N ATOM 242 CA PRO A 17 18.906 16.781 -16.587 1.00 0.00 C ATOM 243 C PRO A 17 17.771 17.619 -15.979 1.00 0.00 C ATOM 244 O PRO A 17 17.693 17.637 -14.756 1.00 0.00 O ATOM 245 CB PRO A 17 20.089 17.644 -17.039 1.00 0.00 C ATOM 246 CG PRO A 17 19.913 17.734 -18.555 1.00 0.00 C ATOM 247 CD PRO A 17 19.327 16.368 -18.903 1.00 0.00 C ATOM 0 HA PRO A 17 19.182 16.113 -15.771 1.00 0.00 H new ATOM 0 HB2 PRO A 17 20.067 18.630 -16.574 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.042 17.188 -16.773 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.244 18.546 -18.838 1.00 0.00 H new ATOM 0 HG3 PRO A 17 20.861 17.910 -19.064 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.727 16.417 -19.812 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.114 15.636 -19.080 1.00 0.00 H new ATOM 255 N LYS A 18 16.852 18.261 -16.733 1.00 0.00 N ATOM 256 CA LYS A 18 15.727 18.975 -16.070 1.00 0.00 C ATOM 257 C LYS A 18 14.744 17.995 -15.417 1.00 0.00 C ATOM 258 O LYS A 18 14.219 18.295 -14.350 1.00 0.00 O ATOM 259 CB LYS A 18 15.036 20.017 -16.984 1.00 0.00 C ATOM 260 CG LYS A 18 14.404 21.204 -16.197 1.00 0.00 C ATOM 261 CD LYS A 18 12.923 21.039 -15.788 1.00 0.00 C ATOM 262 CE LYS A 18 12.486 21.892 -14.572 1.00 0.00 C ATOM 263 NZ LYS A 18 12.225 23.333 -14.868 1.00 0.00 N ATOM 0 H LYS A 18 16.857 18.304 -17.752 1.00 0.00 H new ATOM 0 HA LYS A 18 16.164 19.564 -15.264 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.765 20.408 -17.694 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.259 19.521 -17.566 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.992 21.369 -15.294 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.493 22.104 -16.805 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.294 21.298 -16.640 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.738 19.989 -15.563 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.582 21.455 -14.148 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.260 21.829 -13.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.618 23.735 -14.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.127 23.851 -14.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.749 23.418 -15.789 1.00 0.00 H new ATOM 277 N TYR A 19 14.543 16.815 -16.013 1.00 0.00 N ATOM 278 CA TYR A 19 13.832 15.677 -15.417 1.00 0.00 C ATOM 279 C TYR A 19 14.469 15.304 -14.075 1.00 0.00 C ATOM 280 O TYR A 19 13.822 15.428 -13.039 1.00 0.00 O ATOM 281 CB TYR A 19 13.815 14.467 -16.377 1.00 0.00 C ATOM 282 CG TYR A 19 12.502 14.204 -17.091 1.00 0.00 C ATOM 283 CD1 TYR A 19 11.925 15.192 -17.912 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.879 12.944 -16.966 1.00 0.00 C ATOM 285 CE1 TYR A 19 10.725 14.921 -18.598 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.687 12.668 -17.663 1.00 0.00 C ATOM 287 CZ TYR A 19 10.103 13.661 -18.478 1.00 0.00 C ATOM 288 OH TYR A 19 8.944 13.432 -19.146 1.00 0.00 O ATOM 0 H TYR A 19 14.882 16.618 -16.955 1.00 0.00 H new ATOM 0 HA TYR A 19 12.797 15.970 -15.241 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.591 14.613 -17.128 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.083 13.575 -15.811 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.402 16.156 -18.015 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.319 12.188 -16.333 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.278 15.683 -19.220 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.221 11.698 -17.574 1.00 0.00 H new ATOM 0 HH TYR A 19 8.448 12.712 -18.703 1.00 0.00 H new ATOM 298 N LEU A 20 15.743 14.896 -14.080 1.00 0.00 N ATOM 299 CA LEU A 20 16.528 14.536 -12.896 1.00 0.00 C ATOM 300 C LEU A 20 16.536 15.637 -11.836 1.00 0.00 C ATOM 301 O LEU A 20 16.411 15.331 -10.666 1.00 0.00 O ATOM 302 CB LEU A 20 17.978 14.260 -13.302 1.00 0.00 C ATOM 303 CG LEU A 20 18.229 12.956 -14.082 1.00 0.00 C ATOM 304 CD1 LEU A 20 19.666 12.932 -14.603 1.00 0.00 C ATOM 305 CD2 LEU A 20 18.026 11.719 -13.205 1.00 0.00 C ATOM 0 H LEU A 20 16.276 14.804 -14.945 1.00 0.00 H new ATOM 0 HA LEU A 20 16.058 13.650 -12.468 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.329 15.095 -13.908 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.589 14.243 -12.400 1.00 0.00 H new ATOM 0 HG LEU A 20 17.513 12.931 -14.903 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.838 12.007 -15.154 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.828 13.784 -15.264 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.359 12.988 -13.763 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.213 10.821 -13.794 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.718 11.752 -12.364 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.002 11.702 -12.832 1.00 0.00 H new ATOM 317 N GLN A 21 16.654 16.905 -12.212 1.00 0.00 N ATOM 318 CA GLN A 21 16.729 18.035 -11.300 1.00 0.00 C ATOM 319 C GLN A 21 15.439 18.239 -10.488 1.00 0.00 C ATOM 320 O GLN A 21 15.513 18.706 -9.350 1.00 0.00 O ATOM 321 CB GLN A 21 17.105 19.252 -12.160 1.00 0.00 C ATOM 322 CG GLN A 21 17.358 20.523 -11.358 1.00 0.00 C ATOM 323 CD GLN A 21 16.142 21.423 -11.151 1.00 0.00 C ATOM 324 OE1 GLN A 21 15.117 21.357 -11.813 1.00 0.00 O ATOM 325 NE2 GLN A 21 16.243 22.380 -10.261 1.00 0.00 N ATOM 0 H GLN A 21 16.701 17.182 -13.193 1.00 0.00 H new ATOM 0 HA GLN A 21 17.482 17.863 -10.531 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.999 19.014 -12.737 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.305 19.439 -12.876 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.751 20.243 -10.381 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.134 21.100 -11.860 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.086 22.461 -9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.478 23.043 -10.136 1.00 0.00 H new ATOM 334 N LEU A 22 14.280 17.821 -11.015 1.00 0.00 N ATOM 335 CA LEU A 22 13.073 17.604 -10.211 1.00 0.00 C ATOM 336 C LEU A 22 13.087 16.235 -9.504 1.00 0.00 C ATOM 337 O LEU A 22 12.729 16.153 -8.327 1.00 0.00 O ATOM 338 CB LEU A 22 11.833 17.767 -11.111 1.00 0.00 C ATOM 339 CG LEU A 22 10.491 17.606 -10.367 1.00 0.00 C ATOM 340 CD1 LEU A 22 10.322 18.627 -9.239 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.328 17.780 -11.347 1.00 0.00 C ATOM 0 H LEU A 22 14.155 17.625 -12.008 1.00 0.00 H new ATOM 0 HA LEU A 22 13.041 18.351 -9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.862 18.752 -11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.881 17.032 -11.915 1.00 0.00 H new ATOM 0 HG LEU A 22 10.491 16.607 -9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.362 18.471 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.126 18.503 -8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.358 19.635 -9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.384 17.665 -10.815 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.374 18.773 -11.794 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.397 17.026 -12.131 1.00 0.00 H new ATOM 353 N LYS A 23 13.476 15.164 -10.212 1.00 0.00 N ATOM 354 CA LYS A 23 13.400 13.770 -9.738 1.00 0.00 C ATOM 355 C LYS A 23 14.224 13.558 -8.475 1.00 0.00 C ATOM 356 O LYS A 23 13.681 13.158 -7.452 1.00 0.00 O ATOM 357 CB LYS A 23 13.839 12.804 -10.860 1.00 0.00 C ATOM 358 CG LYS A 23 12.953 11.574 -10.974 1.00 0.00 C ATOM 359 CD LYS A 23 13.499 10.363 -10.212 1.00 0.00 C ATOM 360 CE LYS A 23 14.367 9.494 -11.117 1.00 0.00 C ATOM 361 NZ LYS A 23 14.306 8.086 -10.665 1.00 0.00 N ATOM 0 H LYS A 23 13.862 15.243 -11.153 1.00 0.00 H new ATOM 0 HA LYS A 23 12.363 13.556 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.834 13.336 -11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.866 12.488 -10.677 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.959 11.814 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.840 11.312 -12.026 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.084 10.701 -9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.671 9.772 -9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.023 9.570 -12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.398 9.848 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.023 7.528 -11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.490 8.041 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.362 7.698 -10.864 1.00 0.00 H new ATOM 375 N GLU A 24 15.514 13.882 -8.568 1.00 0.00 N ATOM 376 CA GLU A 24 16.504 13.925 -7.484 1.00 0.00 C ATOM 377 C GLU A 24 15.944 14.528 -6.195 1.00 0.00 C ATOM 378 O GLU A 24 16.083 13.930 -5.138 1.00 0.00 O ATOM 379 CB GLU A 24 17.713 14.747 -7.975 1.00 0.00 C ATOM 380 CG GLU A 24 18.868 14.871 -6.966 1.00 0.00 C ATOM 381 CD GLU A 24 18.998 16.332 -6.532 1.00 0.00 C ATOM 382 OE1 GLU A 24 19.542 17.154 -7.304 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.411 16.734 -5.503 1.00 0.00 O ATOM 0 H GLU A 24 15.927 14.140 -9.464 1.00 0.00 H new ATOM 0 HA GLU A 24 16.796 12.903 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.096 14.292 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.370 15.748 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.680 14.237 -6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.799 14.528 -7.416 1.00 0.00 H new ATOM 390 N LYS A 25 15.259 15.671 -6.292 1.00 0.00 N ATOM 391 CA LYS A 25 14.615 16.359 -5.162 1.00 0.00 C ATOM 392 C LYS A 25 13.530 15.520 -4.486 1.00 0.00 C ATOM 393 O LYS A 25 13.487 15.410 -3.265 1.00 0.00 O ATOM 394 CB LYS A 25 14.038 17.700 -5.666 1.00 0.00 C ATOM 395 CG LYS A 25 14.590 18.913 -4.913 1.00 0.00 C ATOM 396 CD LYS A 25 16.104 19.121 -5.040 1.00 0.00 C ATOM 397 CE LYS A 25 16.557 19.143 -6.504 1.00 0.00 C ATOM 398 NZ LYS A 25 18.028 19.189 -6.590 1.00 0.00 N ATOM 0 H LYS A 25 15.132 16.158 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 25 15.372 16.533 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.259 17.808 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.953 17.682 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.084 19.808 -5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.340 18.811 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.383 20.059 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.626 18.324 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.184 18.258 -7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.130 20.009 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.355 18.509 -7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.330 20.147 -6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.438 18.943 -5.666 1.00 0.00 H new ATOM 412 N LEU A 26 12.628 14.980 -5.294 1.00 0.00 N ATOM 413 CA LEU A 26 11.493 14.164 -4.886 1.00 0.00 C ATOM 414 C LEU A 26 11.934 12.864 -4.206 1.00 0.00 C ATOM 415 O LEU A 26 11.466 12.519 -3.127 1.00 0.00 O ATOM 416 CB LEU A 26 10.639 13.918 -6.146 1.00 0.00 C ATOM 417 CG LEU A 26 9.320 14.686 -6.094 1.00 0.00 C ATOM 418 CD1 LEU A 26 9.535 16.200 -6.200 1.00 0.00 C ATOM 419 CD2 LEU A 26 8.385 14.253 -7.224 1.00 0.00 C ATOM 0 H LEU A 26 12.671 15.106 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 26 10.900 14.681 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.201 14.219 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.435 12.852 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 26 8.870 14.455 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.572 16.708 -6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.159 16.538 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.028 16.432 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.454 14.816 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.862 14.445 -8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.172 13.188 -7.132 1.00 0.00 H new ATOM 431 N GLU A 27 12.853 12.152 -4.842 1.00 0.00 N ATOM 432 CA GLU A 27 13.537 10.976 -4.309 1.00 0.00 C ATOM 433 C GLU A 27 14.427 11.256 -3.097 1.00 0.00 C ATOM 434 O GLU A 27 14.494 10.413 -2.217 1.00 0.00 O ATOM 435 CB GLU A 27 14.372 10.331 -5.423 1.00 0.00 C ATOM 436 CG GLU A 27 13.729 9.004 -5.815 1.00 0.00 C ATOM 437 CD GLU A 27 14.437 8.368 -7.010 1.00 0.00 C ATOM 438 OE1 GLU A 27 15.626 8.004 -6.906 1.00 0.00 O ATOM 439 OE2 GLU A 27 13.810 8.300 -8.089 1.00 0.00 O ATOM 0 H GLU A 27 13.158 12.387 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 27 12.756 10.303 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.425 10.994 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.395 10.169 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.759 8.320 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.679 9.165 -6.057 1.00 0.00 H new ATOM 446 N HIS A 28 15.086 12.410 -3.005 1.00 0.00 N ATOM 447 CA HIS A 28 15.809 12.812 -1.789 1.00 0.00 C ATOM 448 C HIS A 28 14.873 12.995 -0.586 1.00 0.00 C ATOM 449 O HIS A 28 15.232 12.661 0.541 1.00 0.00 O ATOM 450 CB HIS A 28 16.594 14.103 -2.042 1.00 0.00 C ATOM 451 CG HIS A 28 17.438 14.558 -0.875 1.00 0.00 C ATOM 452 ND1 HIS A 28 17.567 15.857 -0.443 1.00 0.00 N ATOM 453 CD2 HIS A 28 18.198 13.772 -0.051 1.00 0.00 C ATOM 454 CE1 HIS A 28 18.403 15.858 0.610 1.00 0.00 C ATOM 455 NE2 HIS A 28 18.825 14.613 0.874 1.00 0.00 N ATOM 0 H HIS A 28 15.137 13.091 -3.762 1.00 0.00 H new ATOM 0 HA HIS A 28 16.499 12.005 -1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 28 17.240 13.957 -2.907 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.892 14.896 -2.298 1.00 0.00 H new ATOM 0 HD2 HIS A 28 18.296 12.698 -0.105 1.00 0.00 H new ATOM 0 HE1 HIS A 28 18.694 16.738 1.165 1.00 0.00 H new ATOM 0 HE2 HIS A 28 19.477 14.334 1.607 1.00 0.00 H new ATOM 463 N GLU A 29 13.668 13.513 -0.828 1.00 0.00 N ATOM 464 CA GLU A 29 12.604 13.606 0.176 1.00 0.00 C ATOM 465 C GLU A 29 12.000 12.236 0.541 1.00 0.00 C ATOM 466 O GLU A 29 11.679 11.986 1.704 1.00 0.00 O ATOM 467 CB GLU A 29 11.513 14.544 -0.366 1.00 0.00 C ATOM 468 CG GLU A 29 11.561 15.965 0.219 1.00 0.00 C ATOM 469 CD GLU A 29 10.543 16.167 1.348 1.00 0.00 C ATOM 470 OE1 GLU A 29 9.324 16.255 1.069 1.00 0.00 O ATOM 471 OE2 GLU A 29 10.910 16.332 2.535 1.00 0.00 O ATOM 0 H GLU A 29 13.399 13.885 -1.739 1.00 0.00 H new ATOM 0 HA GLU A 29 13.036 13.999 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.607 14.605 -1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.536 14.108 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.563 16.166 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.369 16.688 -0.574 1.00 0.00 H new ATOM 478 N PHE A 30 11.824 11.345 -0.437 1.00 0.00 N ATOM 479 CA PHE A 30 11.108 10.075 -0.287 1.00 0.00 C ATOM 480 C PHE A 30 11.878 8.855 -0.830 1.00 0.00 C ATOM 481 O PHE A 30 11.319 8.092 -1.629 1.00 0.00 O ATOM 482 CB PHE A 30 9.739 10.231 -0.962 1.00 0.00 C ATOM 483 CG PHE A 30 8.953 11.444 -0.516 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.555 11.558 0.825 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.685 12.488 -1.419 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.886 12.707 1.263 1.00 0.00 C ATOM 487 CE2 PHE A 30 8.022 13.646 -0.981 1.00 0.00 C ATOM 488 CZ PHE A 30 7.634 13.757 0.361 1.00 0.00 C ATOM 0 H PHE A 30 12.185 11.490 -1.380 1.00 0.00 H new ATOM 0 HA PHE A 30 10.994 9.865 0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.884 10.285 -2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.147 9.337 -0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.765 10.758 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.990 12.399 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.564 12.787 2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.812 14.447 -1.675 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.139 14.653 0.705 1.00 0.00 H new ATOM 498 N PRO A 31 13.134 8.604 -0.411 1.00 0.00 N ATOM 499 CA PRO A 31 13.967 7.599 -1.060 1.00 0.00 C ATOM 500 C PRO A 31 13.445 6.194 -0.795 1.00 0.00 C ATOM 501 O PRO A 31 13.212 5.803 0.347 1.00 0.00 O ATOM 502 CB PRO A 31 15.379 7.785 -0.519 1.00 0.00 C ATOM 503 CG PRO A 31 15.161 8.471 0.832 1.00 0.00 C ATOM 504 CD PRO A 31 13.888 9.295 0.626 1.00 0.00 C ATOM 0 HA PRO A 31 13.953 7.723 -2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.893 6.831 -0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.986 8.397 -1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.040 7.743 1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 31 16.007 9.104 1.100 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.312 9.363 1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 31 14.126 10.315 0.323 1.00 0.00 H new ATOM 512 N GLY A 32 13.233 5.439 -1.871 1.00 0.00 N ATOM 513 CA GLY A 32 12.642 4.090 -1.895 1.00 0.00 C ATOM 514 C GLY A 32 11.208 3.952 -1.367 1.00 0.00 C ATOM 515 O GLY A 32 10.536 2.962 -1.648 1.00 0.00 O ATOM 0 H GLY A 32 13.481 5.765 -2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.661 3.729 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.283 3.428 -1.313 1.00 0.00 H new ATOM 519 N CYS A 33 10.697 4.959 -0.659 1.00 0.00 N ATOM 520 CA CYS A 33 9.275 5.182 -0.432 1.00 0.00 C ATOM 521 C CYS A 33 8.517 5.446 -1.738 1.00 0.00 C ATOM 522 O CYS A 33 7.294 5.321 -1.792 1.00 0.00 O ATOM 523 CB CYS A 33 9.076 6.374 0.501 1.00 0.00 C ATOM 524 SG CYS A 33 9.840 6.117 2.126 1.00 0.00 S ATOM 0 H CYS A 33 11.284 5.664 -0.214 1.00 0.00 H new ATOM 0 HA CYS A 33 8.876 4.273 0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.500 7.267 0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.009 6.557 0.629 1.00 0.00 H new ATOM 0 HG CYS A 33 9.639 7.163 2.871 1.00 0.00 H new ATOM 530 N LEU A 34 9.249 5.824 -2.780 1.00 0.00 N ATOM 531 CA LEU A 34 8.733 6.144 -4.088 1.00 0.00 C ATOM 532 C LEU A 34 9.714 5.782 -5.200 1.00 0.00 C ATOM 533 O LEU A 34 10.929 5.741 -5.022 1.00 0.00 O ATOM 534 CB LEU A 34 8.455 7.656 -4.125 1.00 0.00 C ATOM 535 CG LEU A 34 7.005 8.004 -3.737 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.927 8.773 -2.435 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.339 8.837 -4.823 1.00 0.00 C ATOM 0 H LEU A 34 10.263 5.917 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 34 7.826 5.564 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.140 8.164 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.660 8.034 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 34 6.487 7.053 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.885 8.994 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.356 8.174 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.484 9.705 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.316 9.070 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.896 9.763 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.327 8.275 -5.757 1.00 0.00 H new ATOM 549 N ASP A 35 9.116 5.647 -6.372 1.00 0.00 N ATOM 550 CA ASP A 35 9.675 5.893 -7.696 1.00 0.00 C ATOM 551 C ASP A 35 9.102 7.191 -8.268 1.00 0.00 C ATOM 552 O ASP A 35 7.944 7.540 -8.027 1.00 0.00 O ATOM 553 CB ASP A 35 9.248 4.735 -8.602 1.00 0.00 C ATOM 554 CG ASP A 35 9.216 5.059 -10.106 1.00 0.00 C ATOM 555 OD1 ASP A 35 10.299 5.152 -10.724 1.00 0.00 O ATOM 556 OD2 ASP A 35 8.099 5.281 -10.639 1.00 0.00 O ATOM 0 H ASP A 35 8.146 5.337 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 35 10.760 5.973 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.928 3.899 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.256 4.402 -8.297 1.00 0.00 H new ATOM 561 N ILE A 36 9.884 7.815 -9.142 1.00 0.00 N ATOM 562 CA ILE A 36 9.432 8.703 -10.201 1.00 0.00 C ATOM 563 C ILE A 36 10.204 8.357 -11.484 1.00 0.00 C ATOM 564 O ILE A 36 11.432 8.195 -11.509 1.00 0.00 O ATOM 565 CB ILE A 36 9.688 10.183 -9.862 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.601 10.635 -8.388 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.929 11.158 -10.784 1.00 0.00 C ATOM 568 CD1 ILE A 36 10.996 10.601 -7.739 1.00 0.00 C ATOM 0 H ILE A 36 10.898 7.709 -9.129 1.00 0.00 H new ATOM 0 HA ILE A 36 8.358 8.566 -10.326 1.00 0.00 H new ATOM 0 HB ILE A 36 10.757 10.237 -10.066 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.191 11.643 -8.333 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.921 9.983 -7.840 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.153 12.184 -10.492 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.240 10.999 -11.817 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.857 10.982 -10.696 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.922 10.922 -6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.391 9.586 -7.778 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.665 11.271 -8.279 1.00 0.00 H new ATOM 580 N CYS A 37 9.452 8.371 -12.567 1.00 0.00 N ATOM 581 CA CYS A 37 9.772 8.025 -13.938 1.00 0.00 C ATOM 582 C CYS A 37 9.035 8.986 -14.876 1.00 0.00 C ATOM 583 O CYS A 37 8.330 9.899 -14.449 1.00 0.00 O ATOM 584 CB CYS A 37 9.305 6.581 -14.143 1.00 0.00 C ATOM 585 SG CYS A 37 10.659 5.412 -13.854 1.00 0.00 S ATOM 0 H CYS A 37 8.477 8.663 -12.496 1.00 0.00 H new ATOM 0 HA CYS A 37 10.838 8.106 -14.149 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.480 6.362 -13.465 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.925 6.459 -15.157 1.00 0.00 H new ATOM 0 HG CYS A 37 10.714 5.116 -12.589 1.00 0.00 H new ATOM 591 N GLY A 38 9.183 8.772 -16.176 1.00 0.00 N ATOM 592 CA GLY A 38 8.364 9.412 -17.192 1.00 0.00 C ATOM 593 C GLY A 38 8.736 8.979 -18.601 1.00 0.00 C ATOM 594 O GLY A 38 9.811 8.430 -18.831 1.00 0.00 O ATOM 0 H GLY A 38 9.886 8.140 -16.558 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.315 9.178 -17.009 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.468 10.494 -17.109 1.00 0.00 H new ATOM 598 N GLU A 39 7.857 9.248 -19.556 1.00 0.00 N ATOM 599 CA GLU A 39 7.898 8.701 -20.900 1.00 0.00 C ATOM 600 C GLU A 39 7.786 9.854 -21.902 1.00 0.00 C ATOM 601 O GLU A 39 6.712 10.315 -22.286 1.00 0.00 O ATOM 602 CB GLU A 39 6.806 7.645 -21.072 1.00 0.00 C ATOM 603 CG GLU A 39 7.093 6.283 -20.392 1.00 0.00 C ATOM 604 CD GLU A 39 6.921 6.222 -18.860 1.00 0.00 C ATOM 605 OE1 GLU A 39 6.110 6.982 -18.294 1.00 0.00 O ATOM 606 OE2 GLU A 39 7.549 5.360 -18.201 1.00 0.00 O ATOM 0 H GLU A 39 7.068 9.877 -19.408 1.00 0.00 H new ATOM 0 HA GLU A 39 8.844 8.192 -21.085 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.873 8.042 -20.674 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.651 7.476 -22.138 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.437 5.535 -20.838 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.116 5.992 -20.631 1.00 0.00 H new ATOM 702 N PHE A 47 3.590 18.188 -23.644 1.00 0.00 N ATOM 703 CA PHE A 47 2.734 18.238 -22.470 1.00 0.00 C ATOM 704 C PHE A 47 3.441 17.555 -21.290 1.00 0.00 C ATOM 705 O PHE A 47 3.330 16.352 -21.097 1.00 0.00 O ATOM 706 CB PHE A 47 1.378 17.587 -22.806 1.00 0.00 C ATOM 707 CG PHE A 47 0.606 18.102 -24.018 1.00 0.00 C ATOM 708 CD1 PHE A 47 0.895 19.334 -24.648 1.00 0.00 C ATOM 709 CD2 PHE A 47 -0.464 17.323 -24.499 1.00 0.00 C ATOM 710 CE1 PHE A 47 0.130 19.769 -25.745 1.00 0.00 C ATOM 711 CE2 PHE A 47 -1.233 17.760 -25.593 1.00 0.00 C ATOM 712 CZ PHE A 47 -0.935 18.984 -26.216 1.00 0.00 C ATOM 0 HA PHE A 47 2.540 19.269 -22.176 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.549 16.520 -22.950 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.734 17.692 -21.933 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.708 19.945 -24.285 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.696 16.381 -24.024 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.362 20.708 -26.226 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.052 17.155 -25.954 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.524 19.321 -27.056 1.00 0.00 H new ATOM 722 N PHE A 48 4.208 18.341 -20.531 1.00 0.00 N ATOM 723 CA PHE A 48 4.850 17.957 -19.267 1.00 0.00 C ATOM 724 C PHE A 48 3.778 17.705 -18.191 1.00 0.00 C ATOM 725 O PHE A 48 3.283 18.660 -17.586 1.00 0.00 O ATOM 726 CB PHE A 48 5.827 19.068 -18.848 1.00 0.00 C ATOM 727 CG PHE A 48 6.842 18.692 -17.789 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.545 18.871 -16.424 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.119 18.245 -18.171 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.522 18.601 -15.449 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.100 17.988 -17.198 1.00 0.00 C ATOM 732 CZ PHE A 48 8.801 18.162 -15.835 1.00 0.00 C ATOM 0 H PHE A 48 4.409 19.307 -20.791 1.00 0.00 H new ATOM 0 HA PHE A 48 5.412 17.031 -19.392 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.364 19.406 -19.734 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.248 19.916 -18.483 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.566 19.216 -16.126 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.347 18.099 -19.216 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.290 18.731 -14.402 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.084 17.657 -17.497 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.552 17.959 -15.086 1.00 0.00 H new ATOM 742 N GLU A 49 3.323 16.467 -18.009 1.00 0.00 N ATOM 743 CA GLU A 49 2.164 16.136 -17.185 1.00 0.00 C ATOM 744 C GLU A 49 2.507 15.120 -16.087 1.00 0.00 C ATOM 745 O GLU A 49 2.841 13.966 -16.373 1.00 0.00 O ATOM 746 CB GLU A 49 1.044 15.674 -18.120 1.00 0.00 C ATOM 747 CG GLU A 49 0.497 16.861 -18.931 1.00 0.00 C ATOM 748 CD GLU A 49 -0.966 16.704 -19.346 1.00 0.00 C ATOM 749 OE1 GLU A 49 -1.254 16.166 -20.439 1.00 0.00 O ATOM 750 OE2 GLU A 49 -1.854 17.289 -18.673 1.00 0.00 O ATOM 0 H GLU A 49 3.758 15.651 -18.439 1.00 0.00 H new ATOM 0 HA GLU A 49 1.824 17.015 -16.637 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.420 14.906 -18.796 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.240 15.221 -17.539 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.602 17.771 -18.340 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.107 16.989 -19.825 1.00 0.00 H new ATOM 757 N VAL A 50 2.460 15.561 -14.815 1.00 0.00 N ATOM 758 CA VAL A 50 2.993 14.778 -13.688 1.00 0.00 C ATOM 759 C VAL A 50 1.859 14.061 -12.973 1.00 0.00 C ATOM 760 O VAL A 50 0.859 14.671 -12.585 1.00 0.00 O ATOM 761 CB VAL A 50 3.902 15.612 -12.751 1.00 0.00 C ATOM 762 CG1 VAL A 50 3.396 15.814 -11.318 1.00 0.00 C ATOM 763 CG2 VAL A 50 5.289 14.984 -12.646 1.00 0.00 C ATOM 0 H VAL A 50 2.057 16.458 -14.544 1.00 0.00 H new ATOM 0 HA VAL A 50 3.660 14.012 -14.084 1.00 0.00 H new ATOM 0 HB VAL A 50 3.912 16.592 -13.228 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.116 16.412 -10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.436 16.329 -11.340 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.276 14.845 -10.834 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.911 15.585 -11.983 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.202 13.974 -12.245 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.746 14.943 -13.635 1.00 0.00 H new ATOM 773 N THR A 51 2.015 12.751 -12.801 1.00 0.00 N ATOM 774 CA THR A 51 0.958 11.874 -12.285 1.00 0.00 C ATOM 775 C THR A 51 1.516 10.894 -11.252 1.00 0.00 C ATOM 776 O THR A 51 2.441 10.143 -11.556 1.00 0.00 O ATOM 777 CB THR A 51 0.310 11.048 -13.408 1.00 0.00 C ATOM 778 OG1 THR A 51 0.356 11.684 -14.665 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.159 10.745 -13.176 1.00 0.00 C ATOM 0 H THR A 51 2.883 12.261 -13.016 1.00 0.00 H new ATOM 0 HA THR A 51 0.213 12.525 -11.828 1.00 0.00 H new ATOM 0 HB THR A 51 0.905 10.135 -13.398 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.069 11.111 -15.337 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.546 10.159 -14.010 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.272 10.179 -12.252 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.716 11.679 -13.100 1.00 0.00 H new ATOM 787 N VAL A 52 0.945 10.857 -10.049 1.00 0.00 N ATOM 788 CA VAL A 52 1.350 10.022 -8.896 1.00 0.00 C ATOM 789 C VAL A 52 0.335 8.893 -8.719 1.00 0.00 C ATOM 790 O VAL A 52 -0.833 9.163 -8.465 1.00 0.00 O ATOM 791 CB VAL A 52 1.581 10.914 -7.641 1.00 0.00 C ATOM 792 CG1 VAL A 52 0.352 11.723 -7.208 1.00 0.00 C ATOM 793 CG2 VAL A 52 2.034 10.209 -6.355 1.00 0.00 C ATOM 0 H VAL A 52 0.138 11.441 -9.830 1.00 0.00 H new ATOM 0 HA VAL A 52 2.311 9.537 -9.070 1.00 0.00 H new ATOM 0 HB VAL A 52 2.388 11.536 -8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.599 12.316 -6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.048 12.385 -8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.466 11.043 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.157 10.945 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.283 9.477 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.983 9.704 -6.532 1.00 0.00 H new ATOM 803 N ALA A 53 0.729 7.640 -8.977 1.00 0.00 N ATOM 804 CA ALA A 53 -0.131 6.439 -8.988 1.00 0.00 C ATOM 805 C ALA A 53 -1.456 6.536 -9.788 1.00 0.00 C ATOM 806 O ALA A 53 -2.385 5.771 -9.545 1.00 0.00 O ATOM 807 CB ALA A 53 -0.359 5.972 -7.542 1.00 0.00 C ATOM 0 H ALA A 53 1.701 7.420 -9.195 1.00 0.00 H new ATOM 0 HA ALA A 53 0.421 5.689 -9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.993 5.086 -7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.600 5.733 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.845 6.766 -6.976 1.00 0.00 H new ATOM 813 N GLY A 54 -1.581 7.480 -10.727 1.00 0.00 N ATOM 814 CA GLY A 54 -2.826 7.749 -11.472 1.00 0.00 C ATOM 815 C GLY A 54 -3.609 8.986 -11.001 1.00 0.00 C ATOM 816 O GLY A 54 -4.809 9.109 -11.241 1.00 0.00 O ATOM 0 H GLY A 54 -0.811 8.091 -10.999 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.581 7.872 -12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.474 6.876 -11.395 1.00 0.00 H new ATOM 820 N LYS A 55 -2.934 9.924 -10.332 1.00 0.00 N ATOM 821 CA LYS A 55 -3.456 11.234 -9.917 1.00 0.00 C ATOM 822 C LYS A 55 -2.615 12.330 -10.553 1.00 0.00 C ATOM 823 O LYS A 55 -1.447 12.459 -10.197 1.00 0.00 O ATOM 824 CB LYS A 55 -3.456 11.364 -8.392 1.00 0.00 C ATOM 825 CG LYS A 55 -4.353 10.374 -7.636 1.00 0.00 C ATOM 826 CD LYS A 55 -5.842 10.622 -7.908 1.00 0.00 C ATOM 827 CE LYS A 55 -6.697 9.771 -6.965 1.00 0.00 C ATOM 828 NZ LYS A 55 -8.141 10.001 -7.207 1.00 0.00 N ATOM 0 H LYS A 55 -1.963 9.787 -10.051 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.488 11.331 -10.253 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.433 11.243 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.766 12.376 -8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.096 9.356 -7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.162 10.456 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.074 11.678 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.076 10.378 -8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.464 8.716 -7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.455 10.013 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.700 9.413 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.364 11.004 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.373 9.747 -8.188 1.00 0.00 H new ATOM 842 N LEU A 56 -3.162 13.071 -11.517 1.00 0.00 N ATOM 843 CA LEU A 56 -2.496 14.242 -12.092 1.00 0.00 C ATOM 844 C LEU A 56 -2.364 15.320 -11.024 1.00 0.00 C ATOM 845 O LEU A 56 -3.321 15.632 -10.317 1.00 0.00 O ATOM 846 CB LEU A 56 -3.282 14.714 -13.307 1.00 0.00 C ATOM 847 CG LEU A 56 -2.635 15.835 -14.135 1.00 0.00 C ATOM 848 CD1 LEU A 56 -1.599 15.277 -15.115 1.00 0.00 C ATOM 849 CD2 LEU A 56 -3.733 16.508 -14.950 1.00 0.00 C ATOM 0 H LEU A 56 -4.078 12.877 -11.921 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.489 13.993 -12.428 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.451 13.858 -13.960 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.261 15.056 -12.971 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.139 16.530 -13.457 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.160 16.095 -15.685 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.816 14.760 -14.561 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.083 14.578 -15.797 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.302 17.310 -15.549 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.200 15.774 -15.608 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.484 16.922 -14.277 1.00 0.00 H new ATOM 861 N VAL A 57 -1.153 15.844 -10.908 1.00 0.00 N ATOM 862 CA VAL A 57 -0.777 16.832 -9.880 1.00 0.00 C ATOM 863 C VAL A 57 -0.324 18.148 -10.510 1.00 0.00 C ATOM 864 O VAL A 57 -0.310 19.181 -9.839 1.00 0.00 O ATOM 865 CB VAL A 57 0.330 16.285 -8.952 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.370 17.039 -7.619 1.00 0.00 C ATOM 867 CG2 VAL A 57 0.187 14.801 -8.613 1.00 0.00 C ATOM 0 H VAL A 57 -0.384 15.598 -11.531 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.668 17.023 -9.282 1.00 0.00 H new ATOM 0 HB VAL A 57 1.246 16.430 -9.525 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.161 16.627 -6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.567 18.095 -7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.589 16.932 -7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.003 14.497 -7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.765 14.633 -8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.220 14.213 -9.530 1.00 0.00 H new ATOM 877 N HIS A 58 0.049 18.069 -11.793 1.00 0.00 N ATOM 878 CA HIS A 58 0.718 19.104 -12.585 1.00 0.00 C ATOM 879 C HIS A 58 0.477 18.912 -14.088 1.00 0.00 C ATOM 880 O HIS A 58 0.356 17.778 -14.548 1.00 0.00 O ATOM 881 CB HIS A 58 2.207 18.928 -12.332 1.00 0.00 C ATOM 882 CG HIS A 58 3.115 20.044 -12.762 1.00 0.00 C ATOM 883 ND1 HIS A 58 2.962 21.387 -12.509 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.296 19.877 -13.431 1.00 0.00 C ATOM 885 CE1 HIS A 58 4.040 22.016 -13.005 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.895 21.130 -13.547 1.00 0.00 N ATOM 0 H HIS A 58 -0.120 17.225 -12.340 1.00 0.00 H new ATOM 0 HA HIS A 58 0.339 20.086 -12.302 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.351 18.769 -11.263 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.530 18.017 -12.836 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.174 21.825 -12.032 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.693 18.943 -13.802 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.198 23.084 -12.973 1.00 0.00 H new ATOM 894 N SER A 59 0.475 19.994 -14.867 1.00 0.00 N ATOM 895 CA SER A 59 0.243 19.970 -16.319 1.00 0.00 C ATOM 896 C SER A 59 0.731 21.207 -17.092 1.00 0.00 C ATOM 897 O SER A 59 0.107 22.275 -17.041 1.00 0.00 O ATOM 898 CB SER A 59 -1.259 19.919 -16.564 1.00 0.00 C ATOM 899 OG SER A 59 -1.555 19.713 -17.934 1.00 0.00 O ATOM 0 H SER A 59 0.638 20.933 -14.503 1.00 0.00 H new ATOM 0 HA SER A 59 0.804 19.106 -16.675 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.698 19.117 -15.971 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.715 20.850 -16.228 1.00 0.00 H new ATOM 0 HG SER A 59 -1.998 18.846 -18.046 1.00 0.00 H new ATOM 905 N LYS A 60 1.742 21.072 -17.955 1.00 0.00 N ATOM 906 CA LYS A 60 2.035 22.112 -18.954 1.00 0.00 C ATOM 907 C LYS A 60 0.832 22.493 -19.824 1.00 0.00 C ATOM 908 O LYS A 60 0.642 23.683 -20.061 1.00 0.00 O ATOM 909 CB LYS A 60 3.222 21.675 -19.820 1.00 0.00 C ATOM 910 CG LYS A 60 4.549 22.300 -19.366 1.00 0.00 C ATOM 911 CD LYS A 60 4.756 23.757 -19.786 1.00 0.00 C ATOM 912 CE LYS A 60 4.897 23.838 -21.311 1.00 0.00 C ATOM 913 NZ LYS A 60 5.776 24.956 -21.731 1.00 0.00 N ATOM 0 H LYS A 60 2.366 20.265 -17.985 1.00 0.00 H new ATOM 0 HA LYS A 60 2.290 23.017 -18.402 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.308 20.589 -19.790 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.031 21.951 -20.857 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.609 22.239 -18.279 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.369 21.703 -19.764 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.913 24.364 -19.456 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.647 24.161 -19.306 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.301 22.898 -21.688 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.912 23.964 -21.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.516 25.260 -22.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.662 25.753 -21.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.767 24.640 -21.724 1.00 0.00 H new ATOM 927 N LYS A 61 0.032 21.525 -20.302 1.00 0.00 N ATOM 928 CA LYS A 61 -1.104 21.797 -21.215 1.00 0.00 C ATOM 929 C LYS A 61 -2.347 22.409 -20.558 1.00 0.00 C ATOM 930 O LYS A 61 -3.076 23.118 -21.241 1.00 0.00 O ATOM 931 CB LYS A 61 -1.423 20.592 -22.122 1.00 0.00 C ATOM 932 CG LYS A 61 -2.007 19.314 -21.496 1.00 0.00 C ATOM 933 CD LYS A 61 -3.477 19.417 -21.042 1.00 0.00 C ATOM 934 CE LYS A 61 -4.302 18.141 -21.298 1.00 0.00 C ATOM 935 NZ LYS A 61 -3.763 16.946 -20.605 1.00 0.00 N ATOM 0 H LYS A 61 0.148 20.538 -20.072 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.748 22.599 -21.861 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.123 20.932 -22.885 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.502 20.315 -22.635 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.923 18.503 -22.220 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.397 19.038 -20.636 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.502 19.646 -19.977 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.949 20.252 -21.559 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.329 18.309 -20.973 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.335 17.947 -22.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.454 16.171 -20.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.875 16.652 -21.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.581 17.176 -19.607 1.00 0.00 H new ATOM 949 N ARG A 62 -2.576 22.211 -19.249 1.00 0.00 N ATOM 950 CA ARG A 62 -3.602 22.960 -18.492 1.00 0.00 C ATOM 951 C ARG A 62 -3.187 24.398 -18.160 1.00 0.00 C ATOM 952 O ARG A 62 -4.017 25.196 -17.731 1.00 0.00 O ATOM 953 CB ARG A 62 -4.023 22.150 -17.250 1.00 0.00 C ATOM 954 CG ARG A 62 -3.352 22.496 -15.909 1.00 0.00 C ATOM 955 CD ARG A 62 -4.079 23.546 -15.083 1.00 0.00 C ATOM 956 NE ARG A 62 -3.118 24.424 -14.398 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.071 25.740 -14.390 1.00 0.00 C ATOM 958 NH1 ARG A 62 -3.722 26.478 -15.245 1.00 0.00 N ATOM 959 NH2 ARG A 62 -2.338 26.327 -13.498 1.00 0.00 N ATOM 0 H ARG A 62 -2.061 21.533 -18.686 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.474 23.079 -19.136 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.100 22.263 -17.125 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.835 21.097 -17.457 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.265 21.585 -15.317 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.339 22.847 -16.106 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.726 24.140 -15.728 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.721 23.059 -14.349 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.393 23.951 -13.858 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.300 26.039 -15.961 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.653 27.495 -15.198 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.814 25.771 -12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.285 27.345 -13.471 1.00 0.00 H new ATOM 973 N GLY A 63 -1.903 24.709 -18.317 1.00 0.00 N ATOM 974 CA GLY A 63 -1.309 26.008 -17.996 1.00 0.00 C ATOM 975 C GLY A 63 -0.640 26.063 -16.627 1.00 0.00 C ATOM 976 O GLY A 63 -0.560 27.132 -16.030 1.00 0.00 O ATOM 0 H GLY A 63 -1.223 24.043 -18.683 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.572 26.258 -18.759 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.085 26.772 -18.041 1.00 0.00 H new ATOM 980 N ASP A 64 -0.185 24.920 -16.109 1.00 0.00 N ATOM 981 CA ASP A 64 0.481 24.847 -14.809 1.00 0.00 C ATOM 982 C ASP A 64 1.968 25.215 -14.864 1.00 0.00 C ATOM 983 O ASP A 64 2.559 25.486 -13.822 1.00 0.00 O ATOM 984 CB ASP A 64 0.272 23.448 -14.208 1.00 0.00 C ATOM 985 CG ASP A 64 -0.007 23.508 -12.709 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.966 24.243 -12.367 1.00 0.00 O ATOM 987 OD2 ASP A 64 0.669 22.773 -11.952 1.00 0.00 O ATOM 0 H ASP A 64 -0.269 24.019 -16.580 1.00 0.00 H new ATOM 0 HA ASP A 64 0.023 25.597 -14.164 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.560 22.957 -14.713 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.158 22.839 -14.388 1.00 0.00 H new ATOM 992 N GLY A 65 2.576 25.281 -16.056 1.00 0.00 N ATOM 993 CA GLY A 65 4.010 25.471 -16.223 1.00 0.00 C ATOM 994 C GLY A 65 4.753 24.168 -15.967 1.00 0.00 C ATOM 995 O GLY A 65 4.167 23.090 -15.977 1.00 0.00 O ATOM 0 H GLY A 65 2.072 25.202 -16.939 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.221 25.825 -17.232 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.364 26.239 -15.536 1.00 0.00 H new ATOM 999 N TYR A 66 6.056 24.295 -15.795 1.00 0.00 N ATOM 1000 CA TYR A 66 6.923 23.327 -15.132 1.00 0.00 C ATOM 1001 C TYR A 66 7.064 23.680 -13.637 1.00 0.00 C ATOM 1002 O TYR A 66 6.401 24.595 -13.140 1.00 0.00 O ATOM 1003 CB TYR A 66 8.296 23.386 -15.808 1.00 0.00 C ATOM 1004 CG TYR A 66 8.300 23.333 -17.323 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.149 22.101 -17.990 1.00 0.00 C ATOM 1006 CD2 TYR A 66 8.466 24.520 -18.062 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.153 22.054 -19.397 1.00 0.00 C ATOM 1008 CE2 TYR A 66 8.461 24.480 -19.469 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.296 23.247 -20.138 1.00 0.00 C ATOM 1010 OH TYR A 66 8.196 23.229 -21.494 1.00 0.00 O ATOM 0 H TYR A 66 6.566 25.113 -16.128 1.00 0.00 H new ATOM 0 HA TYR A 66 6.500 22.326 -15.211 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.792 24.305 -15.496 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.897 22.557 -15.435 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.030 21.191 -17.421 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.597 25.461 -17.549 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.047 21.108 -19.908 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.583 25.391 -20.036 1.00 0.00 H new ATOM 0 HH TYR A 66 8.662 22.442 -21.846 1.00 0.00 H new ATOM 1020 N VAL A 67 7.994 23.046 -12.911 1.00 0.00 N ATOM 1021 CA VAL A 67 8.611 23.747 -11.772 1.00 0.00 C ATOM 1022 C VAL A 67 9.416 24.950 -12.269 1.00 0.00 C ATOM 1023 O VAL A 67 10.481 24.820 -12.882 1.00 0.00 O ATOM 1024 CB VAL A 67 9.427 22.900 -10.789 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.488 21.961 -10.024 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.569 22.075 -11.404 1.00 0.00 C ATOM 0 H VAL A 67 8.325 22.096 -13.077 1.00 0.00 H new ATOM 0 HA VAL A 67 7.763 24.068 -11.167 1.00 0.00 H new ATOM 0 HB VAL A 67 9.913 23.622 -10.133 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.067 21.358 -9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.754 22.550 -9.474 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.975 21.307 -10.728 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.078 21.516 -10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.161 21.380 -12.138 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.279 22.743 -11.892 1.00 0.00 H new ATOM 1036 N ASP A 68 8.819 26.106 -12.009 1.00 0.00 N ATOM 1037 CA ASP A 68 9.224 27.448 -12.385 1.00 0.00 C ATOM 1038 C ASP A 68 9.394 28.356 -11.148 1.00 0.00 C ATOM 1039 O ASP A 68 9.828 29.500 -11.240 1.00 0.00 O ATOM 1040 CB ASP A 68 8.103 28.011 -13.242 1.00 0.00 C ATOM 1041 CG ASP A 68 7.813 27.280 -14.566 1.00 0.00 C ATOM 1042 OD1 ASP A 68 8.748 26.816 -15.250 1.00 0.00 O ATOM 1043 OD2 ASP A 68 6.602 27.131 -14.864 1.00 0.00 O ATOM 0 H ASP A 68 7.950 26.125 -11.475 1.00 0.00 H new ATOM 0 HA ASP A 68 10.180 27.412 -12.908 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.189 28.015 -12.648 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.339 29.050 -13.471 1.00 0.00 H new ATOM 1048 N THR A 69 8.980 27.887 -9.966 1.00 0.00 N ATOM 1049 CA THR A 69 9.084 28.626 -8.696 1.00 0.00 C ATOM 1050 C THR A 69 9.117 27.658 -7.520 1.00 0.00 C ATOM 1051 O THR A 69 8.688 26.511 -7.641 1.00 0.00 O ATOM 1052 CB THR A 69 7.911 29.607 -8.496 1.00 0.00 C ATOM 1053 OG1 THR A 69 7.272 29.965 -9.703 1.00 0.00 O ATOM 1054 CG2 THR A 69 8.344 30.920 -7.848 1.00 0.00 C ATOM 0 H THR A 69 8.555 26.966 -9.860 1.00 0.00 H new ATOM 0 HA THR A 69 10.010 29.199 -8.741 1.00 0.00 H new ATOM 0 HB THR A 69 7.228 29.056 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.538 30.586 -9.513 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.478 31.571 -7.732 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.779 30.717 -6.869 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.085 31.411 -8.480 1.00 0.00 H new ATOM 1062 N GLU A 70 9.521 28.166 -6.354 1.00 0.00 N ATOM 1063 CA GLU A 70 9.480 27.460 -5.061 1.00 0.00 C ATOM 1064 C GLU A 70 8.081 26.939 -4.797 1.00 0.00 C ATOM 1065 O GLU A 70 7.836 25.744 -4.717 1.00 0.00 O ATOM 1066 CB GLU A 70 9.900 28.433 -3.939 1.00 0.00 C ATOM 1067 CG GLU A 70 10.575 27.763 -2.735 1.00 0.00 C ATOM 1068 CD GLU A 70 9.581 26.954 -1.889 1.00 0.00 C ATOM 1069 OE1 GLU A 70 8.843 27.570 -1.080 1.00 0.00 O ATOM 1070 OE2 GLU A 70 9.536 25.720 -2.065 1.00 0.00 O ATOM 0 H GLU A 70 9.899 29.110 -6.276 1.00 0.00 H new ATOM 0 HA GLU A 70 10.168 26.615 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.582 29.175 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.017 28.970 -3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.370 27.105 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.043 28.525 -2.112 1.00 0.00 H new ATOM 1077 N SER A 71 7.137 27.871 -4.856 1.00 0.00 N ATOM 1078 CA SER A 71 5.716 27.577 -4.627 1.00 0.00 C ATOM 1079 C SER A 71 5.215 26.449 -5.527 1.00 0.00 C ATOM 1080 O SER A 71 4.475 25.566 -5.091 1.00 0.00 O ATOM 1081 CB SER A 71 4.874 28.827 -4.865 1.00 0.00 C ATOM 1082 OG SER A 71 3.597 28.642 -4.294 1.00 0.00 O ATOM 0 H SER A 71 7.328 28.851 -5.063 1.00 0.00 H new ATOM 0 HA SER A 71 5.615 27.254 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.360 29.697 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.783 29.021 -5.934 1.00 0.00 H new ATOM 0 HG SER A 71 3.053 29.443 -4.443 1.00 0.00 H new ATOM 1088 N LYS A 72 5.694 26.441 -6.781 1.00 0.00 N ATOM 1089 CA LYS A 72 5.338 25.425 -7.772 1.00 0.00 C ATOM 1090 C LYS A 72 5.901 24.044 -7.438 1.00 0.00 C ATOM 1091 O LYS A 72 5.202 23.043 -7.569 1.00 0.00 O ATOM 1092 CB LYS A 72 5.753 25.865 -9.183 1.00 0.00 C ATOM 1093 CG LYS A 72 4.730 25.350 -10.212 1.00 0.00 C ATOM 1094 CD LYS A 72 3.796 26.466 -10.704 1.00 0.00 C ATOM 1095 CE LYS A 72 4.511 27.442 -11.651 1.00 0.00 C ATOM 1096 NZ LYS A 72 4.749 26.810 -12.969 1.00 0.00 N ATOM 0 H LYS A 72 6.342 27.145 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 72 4.253 25.330 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.815 26.952 -9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.745 25.478 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.257 24.918 -11.062 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.137 24.552 -9.765 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.942 26.024 -11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.404 27.014 -9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.909 28.342 -11.777 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.460 27.752 -11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.321 27.446 -13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.255 25.911 -12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.838 26.629 -13.437 1.00 0.00 H new ATOM 1110 N PHE A 73 7.152 23.997 -6.984 1.00 0.00 N ATOM 1111 CA PHE A 73 7.793 22.794 -6.453 1.00 0.00 C ATOM 1112 C PHE A 73 7.080 22.305 -5.182 1.00 0.00 C ATOM 1113 O PHE A 73 6.648 21.159 -5.114 1.00 0.00 O ATOM 1114 CB PHE A 73 9.285 23.096 -6.236 1.00 0.00 C ATOM 1115 CG PHE A 73 10.068 22.009 -5.529 1.00 0.00 C ATOM 1116 CD1 PHE A 73 10.169 20.726 -6.099 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.696 22.278 -4.298 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.876 19.712 -5.431 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.419 21.268 -3.638 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.495 19.981 -4.198 1.00 0.00 C ATOM 0 H PHE A 73 7.763 24.814 -6.975 1.00 0.00 H new ATOM 0 HA PHE A 73 7.713 21.971 -7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.746 23.281 -7.206 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.373 24.017 -5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.702 20.521 -7.051 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.622 23.262 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.944 18.725 -5.865 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.915 21.481 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.029 19.198 -3.680 1.00 0.00 H new ATOM 1130 N ARG A 74 6.874 23.176 -4.196 1.00 0.00 N ATOM 1131 CA ARG A 74 6.248 22.920 -2.889 1.00 0.00 C ATOM 1132 C ARG A 74 4.828 22.354 -2.948 1.00 0.00 C ATOM 1133 O ARG A 74 4.473 21.494 -2.141 1.00 0.00 O ATOM 1134 CB ARG A 74 6.319 24.254 -2.134 1.00 0.00 C ATOM 1135 CG ARG A 74 6.165 24.182 -0.609 1.00 0.00 C ATOM 1136 CD ARG A 74 6.845 25.440 -0.051 1.00 0.00 C ATOM 1137 NE ARG A 74 6.596 25.679 1.381 1.00 0.00 N ATOM 1138 CZ ARG A 74 7.171 26.652 2.072 1.00 0.00 C ATOM 1139 NH1 ARG A 74 8.037 27.467 1.540 1.00 0.00 N ATOM 1140 NH2 ARG A 74 6.878 26.840 3.330 1.00 0.00 N ATOM 0 H ARG A 74 7.159 24.151 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 74 6.788 22.124 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.276 24.724 -2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.542 24.910 -2.526 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.113 24.149 -0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.630 23.279 -0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.920 25.360 -0.212 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.502 26.306 -0.617 1.00 0.00 H new ATOM 0 HE ARG A 74 5.945 25.062 1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.294 27.368 0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.458 28.204 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.200 26.234 3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.328 27.593 3.851 1.00 0.00 H new ATOM 1154 N LYS A 75 4.039 22.765 -3.941 1.00 0.00 N ATOM 1155 CA LYS A 75 2.731 22.256 -4.335 1.00 0.00 C ATOM 1156 C LYS A 75 2.760 20.785 -4.768 1.00 0.00 C ATOM 1157 O LYS A 75 1.786 20.047 -4.572 1.00 0.00 O ATOM 1158 CB LYS A 75 2.274 23.204 -5.473 1.00 0.00 C ATOM 1159 CG LYS A 75 1.146 22.685 -6.368 1.00 0.00 C ATOM 1160 CD LYS A 75 -0.094 22.407 -5.518 1.00 0.00 C ATOM 1161 CE LYS A 75 -1.075 21.434 -6.187 1.00 0.00 C ATOM 1162 NZ LYS A 75 -0.446 20.115 -6.454 1.00 0.00 N ATOM 0 H LYS A 75 4.329 23.535 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 75 2.034 22.254 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.953 24.146 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.136 23.426 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.914 23.419 -7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.462 21.775 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.216 21.998 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.606 23.347 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.946 21.298 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.431 21.863 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.138 19.359 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.130 20.075 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.372 19.987 -5.825 1.00 0.00 H new ATOM 1176 N LEU A 76 3.863 20.366 -5.374 1.00 0.00 N ATOM 1177 CA LEU A 76 4.145 18.969 -5.691 1.00 0.00 C ATOM 1178 C LEU A 76 4.734 18.230 -4.512 1.00 0.00 C ATOM 1179 O LEU A 76 4.216 17.179 -4.156 1.00 0.00 O ATOM 1180 CB LEU A 76 5.069 18.899 -6.915 1.00 0.00 C ATOM 1181 CG LEU A 76 5.306 17.481 -7.464 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.012 16.740 -7.804 1.00 0.00 C ATOM 1183 CD2 LEU A 76 6.128 17.581 -8.748 1.00 0.00 C ATOM 0 H LEU A 76 4.605 21.002 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 76 3.204 18.472 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.645 19.515 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.032 19.337 -6.652 1.00 0.00 H new ATOM 0 HG LEU A 76 5.819 16.923 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.251 15.747 -8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.400 16.646 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.462 17.298 -8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.303 16.582 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.584 18.175 -9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.084 18.058 -8.532 1.00 0.00 H new ATOM 1195 N VAL A 77 5.737 18.811 -3.862 1.00 0.00 N ATOM 1196 CA VAL A 77 6.372 18.200 -2.677 1.00 0.00 C ATOM 1197 C VAL A 77 5.312 17.814 -1.659 1.00 0.00 C ATOM 1198 O VAL A 77 5.241 16.670 -1.225 1.00 0.00 O ATOM 1199 CB VAL A 77 7.426 19.116 -2.031 1.00 0.00 C ATOM 1200 CG1 VAL A 77 7.939 18.569 -0.696 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.633 19.250 -2.952 1.00 0.00 C ATOM 0 H VAL A 77 6.137 19.710 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 77 6.896 17.307 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 77 6.936 20.075 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.680 19.253 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.107 18.472 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.396 17.592 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.375 19.900 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.070 18.266 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.319 19.680 -3.903 1.00 0.00 H new ATOM 1211 N THR A 78 4.403 18.742 -1.364 1.00 0.00 N ATOM 1212 CA THR A 78 3.332 18.534 -0.393 1.00 0.00 C ATOM 1213 C THR A 78 2.346 17.457 -0.832 1.00 0.00 C ATOM 1214 O THR A 78 1.841 16.712 0.003 1.00 0.00 O ATOM 1215 CB THR A 78 2.619 19.860 -0.067 1.00 0.00 C ATOM 1216 OG1 THR A 78 3.568 20.814 0.345 1.00 0.00 O ATOM 1217 CG2 THR A 78 1.611 19.736 1.075 1.00 0.00 C ATOM 0 H THR A 78 4.390 19.666 -1.796 1.00 0.00 H new ATOM 0 HA THR A 78 3.797 18.167 0.522 1.00 0.00 H new ATOM 0 HB THR A 78 2.094 20.150 -0.977 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.019 21.187 -0.441 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.144 20.704 1.255 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.845 19.008 0.807 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.124 19.407 1.979 1.00 0.00 H new ATOM 1225 N ALA A 79 2.130 17.291 -2.138 1.00 0.00 N ATOM 1226 CA ALA A 79 1.250 16.243 -2.643 1.00 0.00 C ATOM 1227 C ALA A 79 1.900 14.859 -2.704 1.00 0.00 C ATOM 1228 O ALA A 79 1.219 13.850 -2.529 1.00 0.00 O ATOM 1229 CB ALA A 79 0.698 16.683 -4.002 1.00 0.00 C ATOM 0 H ALA A 79 2.554 17.870 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 79 0.433 16.119 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.037 15.910 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.140 17.612 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.523 16.841 -4.696 1.00 0.00 H new ATOM 1235 N ILE A 80 3.220 14.805 -2.871 1.00 0.00 N ATOM 1236 CA ILE A 80 3.979 13.557 -2.776 1.00 0.00 C ATOM 1237 C ILE A 80 4.185 13.185 -1.297 1.00 0.00 C ATOM 1238 O ILE A 80 4.118 12.012 -0.953 1.00 0.00 O ATOM 1239 CB ILE A 80 5.289 13.665 -3.583 1.00 0.00 C ATOM 1240 CG1 ILE A 80 5.065 14.036 -5.071 1.00 0.00 C ATOM 1241 CG2 ILE A 80 6.094 12.355 -3.527 1.00 0.00 C ATOM 1242 CD1 ILE A 80 4.190 13.085 -5.899 1.00 0.00 C ATOM 0 H ILE A 80 3.794 15.623 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 80 3.419 12.737 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 80 5.846 14.473 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.617 15.029 -5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.040 14.107 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.011 12.466 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.345 12.126 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.498 11.543 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.113 13.458 -6.920 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.640 12.092 -5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.195 13.029 -5.457 1.00 0.00 H new ATOM 1254 N LYS A 81 4.270 14.166 -0.387 1.00 0.00 N ATOM 1255 CA LYS A 81 4.344 13.951 1.072 1.00 0.00 C ATOM 1256 C LYS A 81 3.061 13.303 1.589 1.00 0.00 C ATOM 1257 O LYS A 81 3.091 12.378 2.398 1.00 0.00 O ATOM 1258 CB LYS A 81 4.554 15.318 1.759 1.00 0.00 C ATOM 1259 CG LYS A 81 4.955 15.274 3.248 1.00 0.00 C ATOM 1260 CD LYS A 81 6.456 15.448 3.539 1.00 0.00 C ATOM 1261 CE LYS A 81 6.995 16.834 3.158 1.00 0.00 C ATOM 1262 NZ LYS A 81 8.435 16.964 3.485 1.00 0.00 N ATOM 0 H LYS A 81 4.290 15.152 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 81 5.175 13.283 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.324 15.862 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.632 15.893 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.408 16.055 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.631 14.320 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.635 15.276 4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.015 14.687 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.846 17.003 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.430 17.603 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.582 17.805 4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.752 16.117 3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.983 17.061 2.607 1.00 0.00 H new ATOM 1276 N ALA A 82 1.937 13.798 1.078 1.00 0.00 N ATOM 1277 CA ALA A 82 0.609 13.249 1.320 1.00 0.00 C ATOM 1278 C ALA A 82 0.466 11.846 0.713 1.00 0.00 C ATOM 1279 O ALA A 82 0.089 10.908 1.413 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.444 14.222 0.776 1.00 0.00 C ATOM 0 H ALA A 82 1.926 14.615 0.467 1.00 0.00 H new ATOM 0 HA ALA A 82 0.455 13.135 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.440 13.817 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.347 15.183 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.294 14.359 -0.295 1.00 0.00 H new ATOM 1286 N ALA A 83 0.810 11.675 -0.568 1.00 0.00 N ATOM 1287 CA ALA A 83 0.743 10.379 -1.246 1.00 0.00 C ATOM 1288 C ALA A 83 1.641 9.316 -0.599 1.00 0.00 C ATOM 1289 O ALA A 83 1.293 8.134 -0.573 1.00 0.00 O ATOM 1290 CB ALA A 83 1.075 10.561 -2.731 1.00 0.00 C ATOM 0 H ALA A 83 1.143 12.433 -1.163 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.276 10.005 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.025 9.596 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.357 11.245 -3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.080 10.972 -2.832 1.00 0.00 H new ATOM 1296 N LEU A 84 2.764 9.749 -0.026 1.00 0.00 N ATOM 1297 CA LEU A 84 3.679 8.917 0.750 1.00 0.00 C ATOM 1298 C LEU A 84 2.978 8.381 1.980 1.00 0.00 C ATOM 1299 O LEU A 84 2.807 7.176 2.109 1.00 0.00 O ATOM 1300 CB LEU A 84 4.932 9.736 1.098 1.00 0.00 C ATOM 1301 CG LEU A 84 6.008 9.109 2.004 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.912 9.572 3.457 1.00 0.00 C ATOM 1303 CD2 LEU A 84 6.083 7.582 1.998 1.00 0.00 C ATOM 0 H LEU A 84 3.070 10.720 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 84 3.996 8.054 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.413 10.015 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.600 10.659 1.573 1.00 0.00 H new ATOM 0 HG LEU A 84 6.923 9.480 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.697 9.095 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.032 10.654 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.938 9.298 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.875 7.254 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.130 7.170 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.297 7.232 0.988 1.00 0.00 H new ATOM 1315 N ALA A 85 2.535 9.278 2.852 1.00 0.00 N ATOM 1316 CA ALA A 85 1.866 8.913 4.104 1.00 0.00 C ATOM 1317 C ALA A 85 0.571 8.100 3.914 1.00 0.00 C ATOM 1318 O ALA A 85 0.144 7.385 4.818 1.00 0.00 O ATOM 1319 CB ALA A 85 1.627 10.192 4.912 1.00 0.00 C ATOM 0 H ALA A 85 2.628 10.284 2.714 1.00 0.00 H new ATOM 0 HA ALA A 85 2.523 8.236 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.129 9.943 5.849 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.582 10.672 5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.999 10.873 4.338 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.008 8.150 2.715 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.157 7.342 2.303 1.00 0.00 C ATOM 1327 C GLN A 86 -0.722 5.932 1.886 1.00 0.00 C ATOM 1328 O GLN A 86 -1.238 4.928 2.371 1.00 0.00 O ATOM 1329 CB GLN A 86 -1.910 8.073 1.179 1.00 0.00 C ATOM 1330 CG GLN A 86 -3.306 7.483 0.935 1.00 0.00 C ATOM 1331 CD GLN A 86 -3.888 7.976 -0.384 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -4.567 8.983 -0.479 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -3.624 7.287 -1.472 1.00 0.00 N ATOM 0 H GLN A 86 0.320 8.775 1.979 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.835 7.216 3.147 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.003 9.129 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.328 8.017 0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.247 6.395 0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.969 7.760 1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.057 6.441 -1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.986 7.599 -2.373 1.00 0.00 H new ATOM 1342 N CYS A 87 0.261 5.868 0.993 1.00 0.00 N ATOM 1343 CA CYS A 87 0.909 4.643 0.517 1.00 0.00 C ATOM 1344 C CYS A 87 1.642 3.872 1.622 1.00 0.00 C ATOM 1345 O CYS A 87 1.774 2.653 1.545 1.00 0.00 O ATOM 1346 CB CYS A 87 1.912 5.027 -0.569 1.00 0.00 C ATOM 1347 SG CYS A 87 2.347 3.549 -1.524 1.00 0.00 S ATOM 0 H CYS A 87 0.648 6.706 0.559 1.00 0.00 H new ATOM 0 HA CYS A 87 0.128 3.983 0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.484 5.786 -1.224 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.805 5.461 -0.120 1.00 0.00 H new ATOM 0 HG CYS A 87 2.302 2.504 -0.751 1.00 0.00 H new ATOM 1353 N GLN A 88 2.110 4.568 2.656 1.00 0.00 N ATOM 1354 CA GLN A 88 2.811 3.976 3.799 1.00 0.00 C ATOM 1355 C GLN A 88 1.938 2.988 4.597 1.00 0.00 C ATOM 1356 O GLN A 88 2.475 2.064 5.197 1.00 0.00 O ATOM 1357 CB GLN A 88 3.394 5.103 4.665 1.00 0.00 C ATOM 1358 CG GLN A 88 4.415 4.598 5.694 1.00 0.00 C ATOM 1359 CD GLN A 88 5.369 5.715 6.108 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.109 6.507 6.996 1.00 0.00 O ATOM 1361 NE2 GLN A 88 6.512 5.843 5.469 1.00 0.00 N ATOM 0 H GLN A 88 2.012 5.581 2.726 1.00 0.00 H new ATOM 0 HA GLN A 88 3.632 3.363 3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.871 5.841 4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.582 5.612 5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.894 4.215 6.572 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.982 3.768 5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.754 5.193 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.156 6.592 5.721 1.00 0.00 H new