USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 567 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 38 LYS NZ :NH3+ -176:sc= 0.0173 (180deg=0) USER MOD Set 1.2: A 43 HIS : no HD1:sc= 0.0211 X(o=0.038,f=0) USER MOD Set 2.1: A 10 GLN : amide:sc= -3.98! C(o=-3.1!,f=-4.5!) USER MOD Set 2.2: A 11 THR OG1 : rot 4:sc= 0.928 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0808 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -19:sc= 0.411 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 24:sc= 0.648! USER MOD Single : A 9 THR OG1 : rot -58:sc= 0.605 USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0238) USER MOD Single : A 16 TYR OH : rot 163:sc= 0.401 USER MOD Single : A 17 ASN : amide:sc= -0.0796 K(o=-0.08,f=-1.6) USER MOD Single : A 24 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.39) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 33 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0205) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 96:sc= 0.462 USER MOD Single : A 49 THR OG1 : rot -41:sc= -0.445 USER MOD Single : A 51 THR OG1 : rot -104:sc= -1.8! USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.957 (180deg=-1.1) USER MOD Single : A 62 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD Single : A 67 THR OG1 : rot -47:sc= 0.0799 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0688 K(o=-0.069,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.280 -2.256 12.342 1.00 0.00 N ATOM 2 CA GLY A 1 -4.479 -1.752 13.442 1.00 0.00 C ATOM 3 C GLY A 1 -4.517 -0.240 13.542 1.00 0.00 C ATOM 4 O GLY A 1 -5.377 0.407 12.945 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.930 -2.988 12.693 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.828 -1.476 11.926 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.656 -2.666 11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.838 -2.184 14.376 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.447 -2.079 13.315 1.00 0.00 H new ATOM 8 N SER A 2 -3.583 0.325 14.301 1.00 0.00 N ATOM 9 CA SER A 2 -3.517 1.771 14.481 1.00 0.00 C ATOM 10 C SER A 2 -2.081 2.222 14.728 1.00 0.00 C ATOM 11 O SER A 2 -1.217 1.418 15.078 1.00 0.00 O ATOM 12 CB SER A 2 -4.407 2.202 15.649 1.00 0.00 C ATOM 13 OG SER A 2 -4.711 3.584 15.575 1.00 0.00 O ATOM 0 H SER A 2 -2.862 -0.196 14.801 1.00 0.00 H new ATOM 0 HA SER A 2 -3.876 2.243 13.567 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.330 1.622 15.640 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.904 1.987 16.592 1.00 0.00 H new ATOM 0 HG SER A 2 -5.282 3.834 16.331 1.00 0.00 H new ATOM 19 N SER A 3 -1.833 3.515 14.542 1.00 0.00 N ATOM 20 CA SER A 3 -0.501 4.074 14.741 1.00 0.00 C ATOM 21 C SER A 3 -0.572 5.582 14.960 1.00 0.00 C ATOM 22 O SER A 3 -1.627 6.195 14.799 1.00 0.00 O ATOM 23 CB SER A 3 0.390 3.764 13.536 1.00 0.00 C ATOM 24 OG SER A 3 -0.154 4.308 12.346 1.00 0.00 O ATOM 0 H SER A 3 -2.537 4.195 14.254 1.00 0.00 H new ATOM 0 HA SER A 3 -0.070 3.615 15.631 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.387 4.171 13.703 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.500 2.685 13.429 1.00 0.00 H new ATOM 0 HG SER A 3 0.435 4.098 11.591 1.00 0.00 H new ATOM 30 N GLY A 4 0.560 6.174 15.329 1.00 0.00 N ATOM 31 CA GLY A 4 0.606 7.605 15.565 1.00 0.00 C ATOM 32 C GLY A 4 1.362 8.348 14.481 1.00 0.00 C ATOM 33 O GLY A 4 2.343 9.037 14.760 1.00 0.00 O ATOM 0 H GLY A 4 1.446 5.688 15.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.411 7.993 15.625 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.078 7.796 16.529 1.00 0.00 H new ATOM 37 N SER A 5 0.906 8.206 13.240 1.00 0.00 N ATOM 38 CA SER A 5 1.550 8.864 12.110 1.00 0.00 C ATOM 39 C SER A 5 0.599 8.954 10.920 1.00 0.00 C ATOM 40 O SER A 5 0.329 7.957 10.250 1.00 0.00 O ATOM 41 CB SER A 5 2.818 8.109 11.707 1.00 0.00 C ATOM 42 OG SER A 5 3.688 7.948 12.814 1.00 0.00 O ATOM 0 H SER A 5 0.093 7.641 12.992 1.00 0.00 H new ATOM 0 HA SER A 5 1.819 9.875 12.416 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.551 7.132 11.305 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.331 8.651 10.913 1.00 0.00 H new ATOM 0 HG SER A 5 3.454 8.596 13.511 1.00 0.00 H new ATOM 48 N SER A 6 0.094 10.157 10.664 1.00 0.00 N ATOM 49 CA SER A 6 -0.830 10.378 9.558 1.00 0.00 C ATOM 50 C SER A 6 -0.076 10.499 8.236 1.00 0.00 C ATOM 51 O SER A 6 0.507 11.540 7.934 1.00 0.00 O ATOM 52 CB SER A 6 -1.659 11.640 9.803 1.00 0.00 C ATOM 53 OG SER A 6 -2.878 11.597 9.082 1.00 0.00 O ATOM 0 H SER A 6 0.309 10.993 11.207 1.00 0.00 H new ATOM 0 HA SER A 6 -1.498 9.519 9.498 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.866 11.742 10.868 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.087 12.518 9.504 1.00 0.00 H new ATOM 0 HG SER A 6 -3.390 12.414 9.257 1.00 0.00 H new ATOM 59 N GLY A 7 -0.094 9.426 7.452 1.00 0.00 N ATOM 60 CA GLY A 7 0.590 9.432 6.172 1.00 0.00 C ATOM 61 C GLY A 7 2.078 9.175 6.309 1.00 0.00 C ATOM 62 O GLY A 7 2.838 10.069 6.679 1.00 0.00 O ATOM 0 H GLY A 7 -0.570 8.553 7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.151 8.672 5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.434 10.394 5.684 1.00 0.00 H new ATOM 66 N SER A 8 2.495 7.948 6.011 1.00 0.00 N ATOM 67 CA SER A 8 3.901 7.574 6.109 1.00 0.00 C ATOM 68 C SER A 8 4.125 6.161 5.578 1.00 0.00 C ATOM 69 O SER A 8 3.517 5.202 6.055 1.00 0.00 O ATOM 70 CB SER A 8 4.376 7.667 7.560 1.00 0.00 C ATOM 71 OG SER A 8 3.877 6.587 8.330 1.00 0.00 O ATOM 0 H SER A 8 1.879 7.197 5.700 1.00 0.00 H new ATOM 0 HA SER A 8 4.480 8.269 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.466 7.666 7.590 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.046 8.611 7.994 1.00 0.00 H new ATOM 0 HG SER A 8 3.675 5.831 7.740 1.00 0.00 H new ATOM 77 N THR A 9 5.003 6.040 4.587 1.00 0.00 N ATOM 78 CA THR A 9 5.307 4.746 3.989 1.00 0.00 C ATOM 79 C THR A 9 4.051 3.895 3.851 1.00 0.00 C ATOM 80 O THR A 9 4.095 2.676 4.016 1.00 0.00 O ATOM 81 CB THR A 9 6.348 3.974 4.822 1.00 0.00 C ATOM 82 OG1 THR A 9 6.782 2.811 4.108 1.00 0.00 O ATOM 83 CG2 THR A 9 5.768 3.562 6.167 1.00 0.00 C ATOM 0 H THR A 9 5.516 6.823 4.182 1.00 0.00 H new ATOM 0 HA THR A 9 5.718 4.944 2.999 1.00 0.00 H new ATOM 0 HB THR A 9 7.200 4.631 4.997 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.009 2.243 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.521 3.018 6.737 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.466 4.451 6.720 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.901 2.921 6.008 1.00 0.00 H new ATOM 91 N GLN A 10 2.932 4.544 3.548 1.00 0.00 N ATOM 92 CA GLN A 10 1.662 3.845 3.387 1.00 0.00 C ATOM 93 C GLN A 10 1.501 3.329 1.961 1.00 0.00 C ATOM 94 O GLN A 10 0.384 3.129 1.484 1.00 0.00 O ATOM 95 CB GLN A 10 0.497 4.771 3.742 1.00 0.00 C ATOM 96 CG GLN A 10 0.088 5.695 2.606 1.00 0.00 C ATOM 97 CD GLN A 10 1.267 6.147 1.768 1.00 0.00 C ATOM 98 OE1 GLN A 10 1.495 5.637 0.670 1.00 0.00 O ATOM 99 NE2 GLN A 10 2.025 7.109 2.281 1.00 0.00 N ATOM 0 H GLN A 10 2.878 5.553 3.409 1.00 0.00 H new ATOM 0 HA GLN A 10 1.658 2.991 4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.361 4.166 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.773 5.373 4.608 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.632 5.183 1.967 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.417 6.569 3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.800 7.503 3.194 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.832 7.454 1.762 1.00 0.00 H new ATOM 108 N THR A 11 2.625 3.114 1.285 1.00 0.00 N ATOM 109 CA THR A 11 2.609 2.622 -0.087 1.00 0.00 C ATOM 110 C THR A 11 2.732 1.103 -0.129 1.00 0.00 C ATOM 111 O THR A 11 1.866 0.416 -0.670 1.00 0.00 O ATOM 112 CB THR A 11 3.749 3.241 -0.919 1.00 0.00 C ATOM 113 OG1 THR A 11 3.611 4.665 -0.956 1.00 0.00 O ATOM 114 CG2 THR A 11 3.746 2.688 -2.336 1.00 0.00 C ATOM 0 H THR A 11 3.558 3.273 1.665 1.00 0.00 H new ATOM 0 HA THR A 11 1.652 2.918 -0.517 1.00 0.00 H new ATOM 0 HB THR A 11 4.697 2.981 -0.447 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.857 4.935 -0.392 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.559 3.139 -2.904 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.881 1.607 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.795 2.921 -2.815 1.00 0.00 H new ATOM 122 N ASP A 12 3.811 0.586 0.447 1.00 0.00 N ATOM 123 CA ASP A 12 4.046 -0.853 0.477 1.00 0.00 C ATOM 124 C ASP A 12 3.270 -1.506 1.617 1.00 0.00 C ATOM 125 O ASP A 12 2.565 -2.496 1.416 1.00 0.00 O ATOM 126 CB ASP A 12 5.539 -1.145 0.628 1.00 0.00 C ATOM 127 CG ASP A 12 6.134 -0.498 1.863 1.00 0.00 C ATOM 128 OD1 ASP A 12 5.736 0.640 2.188 1.00 0.00 O ATOM 129 OD2 ASP A 12 6.998 -1.131 2.506 1.00 0.00 O ATOM 0 H ASP A 12 4.537 1.142 0.900 1.00 0.00 H new ATOM 0 HA ASP A 12 3.695 -1.273 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.692 -2.223 0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.067 -0.788 -0.256 1.00 0.00 H new ATOM 134 N LYS A 13 3.405 -0.947 2.815 1.00 0.00 N ATOM 135 CA LYS A 13 2.718 -1.473 3.988 1.00 0.00 C ATOM 136 C LYS A 13 1.324 -1.975 3.622 1.00 0.00 C ATOM 137 O LYS A 13 0.981 -3.127 3.882 1.00 0.00 O ATOM 138 CB LYS A 13 2.616 -0.397 5.071 1.00 0.00 C ATOM 139 CG LYS A 13 3.868 -0.270 5.921 1.00 0.00 C ATOM 140 CD LYS A 13 3.550 0.270 7.305 1.00 0.00 C ATOM 141 CE LYS A 13 2.890 -0.787 8.178 1.00 0.00 C ATOM 142 NZ LYS A 13 3.871 -1.798 8.662 1.00 0.00 N ATOM 0 H LYS A 13 3.985 -0.128 2.999 1.00 0.00 H new ATOM 0 HA LYS A 13 3.298 -2.312 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.408 0.563 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.769 -0.624 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.348 -1.244 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.579 0.391 5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.467 0.616 7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.891 1.134 7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.413 -0.306 9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.103 -1.286 7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.414 -2.420 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.208 -2.367 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.677 -1.314 9.106 1.00 0.00 H new ATOM 156 N ALA A 14 0.526 -1.101 3.017 1.00 0.00 N ATOM 157 CA ALA A 14 -0.828 -1.457 2.612 1.00 0.00 C ATOM 158 C ALA A 14 -0.837 -2.745 1.797 1.00 0.00 C ATOM 159 O ALA A 14 -1.508 -3.715 2.155 1.00 0.00 O ATOM 160 CB ALA A 14 -1.457 -0.322 1.817 1.00 0.00 C ATOM 0 H ALA A 14 0.794 -0.142 2.797 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.418 -1.625 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.468 -0.602 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.495 0.576 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.859 -0.127 0.927 1.00 0.00 H new ATOM 166 N LEU A 15 -0.091 -2.750 0.698 1.00 0.00 N ATOM 167 CA LEU A 15 -0.013 -3.920 -0.170 1.00 0.00 C ATOM 168 C LEU A 15 0.308 -5.175 0.636 1.00 0.00 C ATOM 169 O LEU A 15 -0.453 -6.142 0.626 1.00 0.00 O ATOM 170 CB LEU A 15 1.049 -3.708 -1.250 1.00 0.00 C ATOM 171 CG LEU A 15 0.928 -2.420 -2.066 1.00 0.00 C ATOM 172 CD1 LEU A 15 2.127 -2.258 -2.988 1.00 0.00 C ATOM 173 CD2 LEU A 15 -0.366 -2.415 -2.866 1.00 0.00 C ATOM 0 H LEU A 15 0.469 -1.956 0.386 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.984 -4.055 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.030 -3.723 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.015 -4.554 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 15 0.909 -1.576 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.024 -1.336 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.040 -2.216 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.178 -3.106 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.435 -1.491 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.377 -3.267 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.215 -2.483 -2.186 1.00 0.00 H new ATOM 185 N TYR A 16 1.438 -5.150 1.333 1.00 0.00 N ATOM 186 CA TYR A 16 1.860 -6.286 2.144 1.00 0.00 C ATOM 187 C TYR A 16 0.658 -6.985 2.771 1.00 0.00 C ATOM 188 O TYR A 16 0.413 -8.165 2.524 1.00 0.00 O ATOM 189 CB TYR A 16 2.826 -5.827 3.239 1.00 0.00 C ATOM 190 CG TYR A 16 3.716 -6.931 3.762 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.598 -7.597 2.920 1.00 0.00 C ATOM 192 CD2 TYR A 16 3.675 -7.310 5.098 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.414 -8.607 3.393 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.488 -8.317 5.581 1.00 0.00 C ATOM 195 CZ TYR A 16 5.355 -8.963 4.725 1.00 0.00 C ATOM 196 OH TYR A 16 6.165 -9.968 5.201 1.00 0.00 O ATOM 0 H TYR A 16 2.078 -4.356 1.353 1.00 0.00 H new ATOM 0 HA TYR A 16 2.370 -6.995 1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.450 -5.023 2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.252 -5.411 4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.647 -7.320 1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.995 -6.808 5.771 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.094 -9.115 2.724 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.445 -8.597 6.623 1.00 0.00 H new ATOM 0 HH TYR A 16 6.208 -9.918 6.179 1.00 0.00 H new ATOM 206 N ASN A 17 -0.090 -6.246 3.584 1.00 0.00 N ATOM 207 CA ASN A 17 -1.268 -6.793 4.248 1.00 0.00 C ATOM 208 C ASN A 17 -2.078 -7.660 3.289 1.00 0.00 C ATOM 209 O ASN A 17 -2.375 -8.818 3.584 1.00 0.00 O ATOM 210 CB ASN A 17 -2.143 -5.662 4.794 1.00 0.00 C ATOM 211 CG ASN A 17 -3.246 -6.172 5.701 1.00 0.00 C ATOM 212 OD1 ASN A 17 -3.368 -7.374 5.934 1.00 0.00 O ATOM 213 ND2 ASN A 17 -4.057 -5.256 6.218 1.00 0.00 N ATOM 0 H ASN A 17 0.099 -5.267 3.799 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.932 -7.415 5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.520 -4.958 5.345 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.585 -5.114 3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.818 -5.539 6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.919 -4.270 5.998 1.00 0.00 H new ATOM 220 N ARG A 18 -2.432 -7.093 2.141 1.00 0.00 N ATOM 221 CA ARG A 18 -3.208 -7.814 1.140 1.00 0.00 C ATOM 222 C ARG A 18 -2.489 -9.088 0.708 1.00 0.00 C ATOM 223 O ARG A 18 -3.097 -10.156 0.614 1.00 0.00 O ATOM 224 CB ARG A 18 -3.463 -6.923 -0.078 1.00 0.00 C ATOM 225 CG ARG A 18 -4.761 -7.239 -0.803 1.00 0.00 C ATOM 226 CD ARG A 18 -4.683 -6.863 -2.274 1.00 0.00 C ATOM 227 NE ARG A 18 -5.960 -7.054 -2.956 1.00 0.00 N ATOM 228 CZ ARG A 18 -6.125 -6.894 -4.265 1.00 0.00 C ATOM 229 NH1 ARG A 18 -5.099 -6.544 -5.028 1.00 0.00 N ATOM 230 NH2 ARG A 18 -7.319 -7.086 -4.812 1.00 0.00 N ATOM 0 H ARG A 18 -2.194 -6.136 1.881 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.163 -8.090 1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.480 -5.881 0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.632 -7.029 -0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.982 -8.302 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.583 -6.700 -0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.375 -5.821 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.917 -7.466 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.769 -7.325 -2.397 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.180 -6.397 -4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.229 -6.422 -6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.110 -7.356 -4.228 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.445 -6.963 -5.817 1.00 0.00 H new ATOM 244 N LEU A 19 -1.192 -8.970 0.447 1.00 0.00 N ATOM 245 CA LEU A 19 -0.389 -10.113 0.025 1.00 0.00 C ATOM 246 C LEU A 19 -0.453 -11.234 1.058 1.00 0.00 C ATOM 247 O LEU A 19 -0.652 -12.399 0.713 1.00 0.00 O ATOM 248 CB LEU A 19 1.064 -9.687 -0.193 1.00 0.00 C ATOM 249 CG LEU A 19 1.375 -9.026 -1.536 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.727 -8.330 -1.488 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.343 -10.055 -2.657 1.00 0.00 C ATOM 0 H LEU A 19 -0.674 -8.095 0.520 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.797 -10.486 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.342 -8.996 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.699 -10.567 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 19 0.610 -8.276 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.931 -7.865 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.715 -7.565 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.505 -9.061 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.567 -9.567 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.086 -10.828 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.353 -10.508 -2.707 1.00 0.00 H new ATOM 263 N VAL A 20 -0.285 -10.874 2.326 1.00 0.00 N ATOM 264 CA VAL A 20 -0.327 -11.849 3.409 1.00 0.00 C ATOM 265 C VAL A 20 -1.594 -11.691 4.242 1.00 0.00 C ATOM 266 O VAL A 20 -1.594 -11.078 5.309 1.00 0.00 O ATOM 267 CB VAL A 20 0.900 -11.716 4.332 1.00 0.00 C ATOM 268 CG1 VAL A 20 0.815 -12.710 5.480 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.184 -11.911 3.541 1.00 0.00 C ATOM 0 H VAL A 20 -0.119 -9.914 2.629 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.320 -12.836 2.946 1.00 0.00 H new ATOM 0 HB VAL A 20 0.909 -10.711 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.690 -12.601 6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.087 -12.518 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.781 -13.724 5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.041 -11.814 4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.186 -12.903 3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.247 -11.156 2.757 1.00 0.00 H new ATOM 279 N PRO A 21 -2.703 -12.258 3.743 1.00 0.00 N ATOM 280 CA PRO A 21 -3.999 -12.195 4.425 1.00 0.00 C ATOM 281 C PRO A 21 -4.025 -13.033 5.699 1.00 0.00 C ATOM 282 O PRO A 21 -3.248 -13.977 5.849 1.00 0.00 O ATOM 283 CB PRO A 21 -4.973 -12.764 3.390 1.00 0.00 C ATOM 284 CG PRO A 21 -4.136 -13.645 2.528 1.00 0.00 C ATOM 285 CD PRO A 21 -2.777 -13.004 2.476 1.00 0.00 C ATOM 0 HA PRO A 21 -4.242 -11.182 4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.776 -13.325 3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.441 -11.970 2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.077 -14.652 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.564 -13.734 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.984 -13.748 2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.677 -12.344 1.615 1.00 0.00 H new ATOM 293 N LEU A 22 -4.924 -12.684 6.613 1.00 0.00 N ATOM 294 CA LEU A 22 -5.051 -13.405 7.875 1.00 0.00 C ATOM 295 C LEU A 22 -6.493 -13.846 8.106 1.00 0.00 C ATOM 296 O LEU A 22 -7.339 -13.049 8.513 1.00 0.00 O ATOM 297 CB LEU A 22 -4.581 -12.528 9.036 1.00 0.00 C ATOM 298 CG LEU A 22 -3.987 -13.265 10.237 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.671 -12.290 11.360 1.00 0.00 C ATOM 300 CD2 LEU A 22 -4.939 -14.349 10.722 1.00 0.00 C ATOM 0 H LEU A 22 -5.575 -11.907 6.504 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.422 -14.294 7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.834 -11.830 8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.427 -11.934 9.382 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.057 -13.739 9.923 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.249 -12.833 12.206 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.951 -11.551 11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.586 -11.786 11.672 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.500 -14.863 11.577 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.885 -13.896 11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.114 -15.065 9.919 1.00 0.00 H new ATOM 312 N VAL A 23 -6.766 -15.121 7.846 1.00 0.00 N ATOM 313 CA VAL A 23 -8.105 -15.669 8.030 1.00 0.00 C ATOM 314 C VAL A 23 -8.074 -16.908 8.917 1.00 0.00 C ATOM 315 O VAL A 23 -9.053 -17.223 9.593 1.00 0.00 O ATOM 316 CB VAL A 23 -8.752 -16.033 6.680 1.00 0.00 C ATOM 317 CG1 VAL A 23 -9.103 -14.776 5.900 1.00 0.00 C ATOM 318 CG2 VAL A 23 -7.828 -16.931 5.872 1.00 0.00 C ATOM 0 H VAL A 23 -6.078 -15.794 7.507 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.701 -14.895 8.513 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.674 -16.580 6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.559 -15.053 4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.805 -14.174 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.197 -14.199 5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.301 -17.178 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.888 -16.412 5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.632 -17.847 6.429 1.00 0.00 H new ATOM 328 N ASN A 24 -6.944 -17.606 8.911 1.00 0.00 N ATOM 329 CA ASN A 24 -6.786 -18.812 9.716 1.00 0.00 C ATOM 330 C ASN A 24 -6.036 -18.508 11.009 1.00 0.00 C ATOM 331 O ASN A 24 -5.348 -19.368 11.557 1.00 0.00 O ATOM 332 CB ASN A 24 -6.040 -19.887 8.921 1.00 0.00 C ATOM 333 CG ASN A 24 -6.679 -20.156 7.573 1.00 0.00 C ATOM 334 OD1 ASN A 24 -7.902 -20.232 7.457 1.00 0.00 O ATOM 335 ND2 ASN A 24 -5.851 -20.302 6.545 1.00 0.00 N ATOM 0 H ASN A 24 -6.124 -17.358 8.358 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.779 -19.182 9.971 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.006 -19.575 8.774 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.015 -20.811 9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.223 -20.485 5.613 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.844 -20.231 6.688 1.00 0.00 H new ATOM 342 N GLY A 25 -6.174 -17.277 11.492 1.00 0.00 N ATOM 343 CA GLY A 25 -5.505 -16.881 12.717 1.00 0.00 C ATOM 344 C GLY A 25 -4.000 -17.040 12.633 1.00 0.00 C ATOM 345 O GLY A 25 -3.302 -16.952 13.643 1.00 0.00 O ATOM 0 H GLY A 25 -6.737 -16.547 11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.746 -15.841 12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.885 -17.480 13.545 1.00 0.00 H new ATOM 349 N VAL A 26 -3.498 -17.277 11.425 1.00 0.00 N ATOM 350 CA VAL A 26 -2.066 -17.449 11.213 1.00 0.00 C ATOM 351 C VAL A 26 -1.661 -17.009 9.810 1.00 0.00 C ATOM 352 O VAL A 26 -2.201 -17.495 8.817 1.00 0.00 O ATOM 353 CB VAL A 26 -1.640 -18.915 11.422 1.00 0.00 C ATOM 354 CG1 VAL A 26 -0.157 -19.087 11.130 1.00 0.00 C ATOM 355 CG2 VAL A 26 -1.969 -19.368 12.836 1.00 0.00 C ATOM 0 H VAL A 26 -4.062 -17.354 10.579 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.560 -16.823 11.947 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.198 -19.540 10.725 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.126 -20.129 11.283 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.046 -18.804 10.097 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.422 -18.452 11.800 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.662 -20.406 12.966 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.439 -18.740 13.552 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.043 -19.284 13.005 1.00 0.00 H new ATOM 365 N ARG A 27 -0.708 -16.087 9.738 1.00 0.00 N ATOM 366 CA ARG A 27 -0.230 -15.580 8.457 1.00 0.00 C ATOM 367 C ARG A 27 0.910 -16.441 7.922 1.00 0.00 C ATOM 368 O ARG A 27 1.894 -16.687 8.619 1.00 0.00 O ATOM 369 CB ARG A 27 0.235 -14.129 8.599 1.00 0.00 C ATOM 370 CG ARG A 27 -0.837 -13.196 9.137 1.00 0.00 C ATOM 371 CD ARG A 27 -0.368 -11.749 9.136 1.00 0.00 C ATOM 372 NE ARG A 27 -1.405 -10.837 9.611 1.00 0.00 N ATOM 373 CZ ARG A 27 -1.192 -9.551 9.863 1.00 0.00 C ATOM 374 NH1 ARG A 27 0.013 -9.027 9.687 1.00 0.00 N ATOM 375 NH2 ARG A 27 -2.187 -8.784 10.293 1.00 0.00 N ATOM 0 H ARG A 27 -0.251 -15.675 10.552 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.057 -15.621 7.748 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.099 -14.097 9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.566 -13.766 7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.738 -13.288 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.103 -13.493 10.151 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.515 -11.654 9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.070 -11.465 8.127 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.344 -11.208 9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.780 -9.612 9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.173 -8.039 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.116 -9.183 10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.023 -7.796 10.486 1.00 0.00 H new ATOM 389 N GLU A 28 0.769 -16.896 6.681 1.00 0.00 N ATOM 390 CA GLU A 28 1.788 -17.731 6.054 1.00 0.00 C ATOM 391 C GLU A 28 1.718 -17.624 4.534 1.00 0.00 C ATOM 392 O GLU A 28 0.635 -17.626 3.949 1.00 0.00 O ATOM 393 CB GLU A 28 1.617 -19.190 6.482 1.00 0.00 C ATOM 394 CG GLU A 28 2.166 -19.486 7.868 1.00 0.00 C ATOM 395 CD GLU A 28 2.281 -20.973 8.145 1.00 0.00 C ATOM 396 OE1 GLU A 28 1.283 -21.693 7.937 1.00 0.00 O ATOM 397 OE2 GLU A 28 3.369 -21.415 8.569 1.00 0.00 O ATOM 0 H GLU A 28 -0.039 -16.701 6.090 1.00 0.00 H new ATOM 0 HA GLU A 28 2.765 -17.376 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.558 -19.445 6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.116 -19.833 5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.148 -19.024 7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.518 -19.030 8.616 1.00 0.00 H new ATOM 404 N PHE A 29 2.882 -17.531 3.899 1.00 0.00 N ATOM 405 CA PHE A 29 2.955 -17.422 2.447 1.00 0.00 C ATOM 406 C PHE A 29 2.395 -18.674 1.779 1.00 0.00 C ATOM 407 O PHE A 29 2.069 -19.655 2.448 1.00 0.00 O ATOM 408 CB PHE A 29 4.402 -17.197 2.003 1.00 0.00 C ATOM 409 CG PHE A 29 4.985 -15.903 2.493 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.326 -14.704 2.274 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.193 -15.885 3.172 1.00 0.00 C ATOM 412 CE1 PHE A 29 4.860 -13.511 2.724 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.731 -14.695 3.625 1.00 0.00 C ATOM 414 CZ PHE A 29 6.065 -13.507 3.399 1.00 0.00 C ATOM 0 H PHE A 29 3.788 -17.529 4.368 1.00 0.00 H new ATOM 0 HA PHE A 29 2.352 -16.567 2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.016 -18.022 2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.447 -17.217 0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.384 -14.701 1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.720 -16.811 3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.336 -12.583 2.548 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.672 -14.695 4.155 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.486 -12.576 3.749 1.00 0.00 H new ATOM 424 N SER A 30 2.285 -18.632 0.455 1.00 0.00 N ATOM 425 CA SER A 30 1.760 -19.761 -0.305 1.00 0.00 C ATOM 426 C SER A 30 2.767 -20.226 -1.353 1.00 0.00 C ATOM 427 O SER A 30 3.710 -19.508 -1.683 1.00 0.00 O ATOM 428 CB SER A 30 0.442 -19.379 -0.981 1.00 0.00 C ATOM 429 OG SER A 30 -0.167 -20.507 -1.585 1.00 0.00 O ATOM 0 H SER A 30 2.552 -17.829 -0.114 1.00 0.00 H new ATOM 0 HA SER A 30 1.579 -20.582 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.236 -18.946 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.625 -18.613 -1.735 1.00 0.00 H new ATOM 0 HG SER A 30 -1.008 -20.237 -2.009 1.00 0.00 H new ATOM 435 N GLU A 31 2.558 -21.432 -1.871 1.00 0.00 N ATOM 436 CA GLU A 31 3.448 -21.993 -2.881 1.00 0.00 C ATOM 437 C GLU A 31 3.802 -20.948 -3.936 1.00 0.00 C ATOM 438 O GLU A 31 4.887 -20.980 -4.516 1.00 0.00 O ATOM 439 CB GLU A 31 2.797 -23.206 -3.549 1.00 0.00 C ATOM 440 CG GLU A 31 1.452 -22.901 -4.188 1.00 0.00 C ATOM 441 CD GLU A 31 1.089 -23.888 -5.281 1.00 0.00 C ATOM 442 OE1 GLU A 31 1.874 -24.023 -6.243 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.020 -24.525 -5.174 1.00 0.00 O ATOM 0 H GLU A 31 1.781 -22.039 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 31 4.366 -22.309 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.472 -23.596 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.667 -23.993 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.678 -22.913 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.472 -21.894 -4.605 1.00 0.00 H new ATOM 450 N ILE A 32 2.878 -20.024 -4.178 1.00 0.00 N ATOM 451 CA ILE A 32 3.092 -18.970 -5.161 1.00 0.00 C ATOM 452 C ILE A 32 4.062 -17.917 -4.636 1.00 0.00 C ATOM 453 O ILE A 32 5.136 -17.712 -5.202 1.00 0.00 O ATOM 454 CB ILE A 32 1.768 -18.284 -5.549 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.799 -19.303 -6.152 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.027 -17.148 -6.527 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.656 -18.922 -5.989 1.00 0.00 C ATOM 0 H ILE A 32 1.974 -19.984 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 32 3.518 -19.445 -6.045 1.00 0.00 H new ATOM 0 HB ILE A 32 1.314 -17.867 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.019 -19.418 -7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.967 -20.273 -5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.082 -16.673 -6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.686 -16.413 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.499 -17.543 -7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.286 -19.689 -6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.893 -18.835 -4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.839 -17.967 -6.481 1.00 0.00 H new ATOM 469 N GLN A 33 3.676 -17.255 -3.550 1.00 0.00 N ATOM 470 CA GLN A 33 4.513 -16.224 -2.948 1.00 0.00 C ATOM 471 C GLN A 33 5.949 -16.712 -2.789 1.00 0.00 C ATOM 472 O GLN A 33 6.891 -16.062 -3.246 1.00 0.00 O ATOM 473 CB GLN A 33 3.949 -15.810 -1.587 1.00 0.00 C ATOM 474 CG GLN A 33 2.539 -15.248 -1.659 1.00 0.00 C ATOM 475 CD GLN A 33 2.175 -14.428 -0.437 1.00 0.00 C ATOM 476 OE1 GLN A 33 2.820 -13.424 -0.134 1.00 0.00 O ATOM 477 NE2 GLN A 33 1.135 -14.851 0.272 1.00 0.00 N ATOM 0 H GLN A 33 2.790 -17.414 -3.070 1.00 0.00 H new ATOM 0 HA GLN A 33 4.514 -15.359 -3.612 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.953 -16.674 -0.923 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.607 -15.063 -1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.444 -14.627 -2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.830 -16.069 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.629 -15.689 -0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.842 -14.338 1.104 1.00 0.00 H new ATOM 486 N LEU A 34 6.110 -17.859 -2.139 1.00 0.00 N ATOM 487 CA LEU A 34 7.432 -18.435 -1.920 1.00 0.00 C ATOM 488 C LEU A 34 8.244 -18.445 -3.212 1.00 0.00 C ATOM 489 O LEU A 34 9.259 -17.758 -3.324 1.00 0.00 O ATOM 490 CB LEU A 34 7.306 -19.859 -1.373 1.00 0.00 C ATOM 491 CG LEU A 34 6.410 -20.029 -0.146 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.788 -21.417 -0.127 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.200 -19.779 1.130 1.00 0.00 C ATOM 0 H LEU A 34 5.342 -18.409 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 34 7.953 -17.816 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.925 -20.500 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.303 -20.220 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 34 5.607 -19.294 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.154 -21.519 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.187 -21.559 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.577 -22.169 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.546 -19.904 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.024 -20.490 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.596 -18.764 1.120 1.00 0.00 H new ATOM 505 N SER A 35 7.787 -19.226 -4.185 1.00 0.00 N ATOM 506 CA SER A 35 8.471 -19.326 -5.469 1.00 0.00 C ATOM 507 C SER A 35 8.912 -17.950 -5.959 1.00 0.00 C ATOM 508 O SER A 35 9.966 -17.808 -6.579 1.00 0.00 O ATOM 509 CB SER A 35 7.558 -19.981 -6.508 1.00 0.00 C ATOM 510 OG SER A 35 8.315 -20.599 -7.535 1.00 0.00 O ATOM 0 H SER A 35 6.946 -19.799 -4.109 1.00 0.00 H new ATOM 0 HA SER A 35 9.358 -19.945 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.923 -20.723 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.897 -19.230 -6.941 1.00 0.00 H new ATOM 0 HG SER A 35 7.709 -21.011 -8.185 1.00 0.00 H new ATOM 516 N ARG A 36 8.097 -16.939 -5.675 1.00 0.00 N ATOM 517 CA ARG A 36 8.401 -15.574 -6.087 1.00 0.00 C ATOM 518 C ARG A 36 9.489 -14.969 -5.204 1.00 0.00 C ATOM 519 O ARG A 36 10.287 -14.149 -5.659 1.00 0.00 O ATOM 520 CB ARG A 36 7.141 -14.708 -6.028 1.00 0.00 C ATOM 521 CG ARG A 36 6.028 -15.188 -6.946 1.00 0.00 C ATOM 522 CD ARG A 36 4.799 -14.298 -6.843 1.00 0.00 C ATOM 523 NE ARG A 36 3.730 -14.737 -7.735 1.00 0.00 N ATOM 524 CZ ARG A 36 2.562 -14.114 -7.845 1.00 0.00 C ATOM 525 NH1 ARG A 36 2.315 -13.030 -7.123 1.00 0.00 N ATOM 526 NH2 ARG A 36 1.638 -14.575 -8.679 1.00 0.00 N ATOM 0 H ARG A 36 7.221 -17.040 -5.161 1.00 0.00 H new ATOM 0 HA ARG A 36 8.765 -15.604 -7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.772 -14.688 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.402 -13.683 -6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.384 -15.201 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.759 -16.213 -6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.436 -14.298 -5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.074 -13.271 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 36 3.889 -15.568 -8.305 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.023 -12.673 -6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.417 -12.553 -7.209 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.824 -15.409 -9.236 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.742 -14.096 -8.762 1.00 0.00 H new ATOM 540 N LEU A 37 9.514 -15.379 -3.941 1.00 0.00 N ATOM 541 CA LEU A 37 10.503 -14.878 -2.993 1.00 0.00 C ATOM 542 C LEU A 37 11.823 -15.627 -3.137 1.00 0.00 C ATOM 543 O LEU A 37 12.886 -15.108 -2.793 1.00 0.00 O ATOM 544 CB LEU A 37 9.981 -15.012 -1.562 1.00 0.00 C ATOM 545 CG LEU A 37 8.914 -14.001 -1.139 1.00 0.00 C ATOM 546 CD1 LEU A 37 7.992 -14.605 -0.091 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.563 -12.729 -0.613 1.00 0.00 C ATOM 0 H LEU A 37 8.861 -16.057 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 37 10.678 -13.825 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.572 -16.015 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.826 -14.926 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 37 8.316 -13.745 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.239 -13.871 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.500 -15.486 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.575 -14.891 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.789 -12.021 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.185 -12.968 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.180 -12.286 -1.394 1.00 0.00 H new ATOM 559 N LYS A 38 11.750 -16.851 -3.650 1.00 0.00 N ATOM 560 CA LYS A 38 12.939 -17.672 -3.843 1.00 0.00 C ATOM 561 C LYS A 38 13.873 -17.044 -4.873 1.00 0.00 C ATOM 562 O LYS A 38 15.043 -16.786 -4.590 1.00 0.00 O ATOM 563 CB LYS A 38 12.544 -19.081 -4.291 1.00 0.00 C ATOM 564 CG LYS A 38 11.652 -19.807 -3.299 1.00 0.00 C ATOM 565 CD LYS A 38 12.469 -20.600 -2.292 1.00 0.00 C ATOM 566 CE LYS A 38 11.751 -20.711 -0.955 1.00 0.00 C ATOM 567 NZ LYS A 38 12.304 -21.810 -0.118 1.00 0.00 N ATOM 0 H LYS A 38 10.879 -17.296 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 38 13.465 -17.734 -2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.030 -19.017 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.448 -19.669 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.027 -19.085 -2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.981 -20.479 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.664 -21.598 -2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.437 -20.119 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.837 -19.767 -0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.689 -20.885 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.745 -21.897 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.261 -22.704 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.293 -21.598 0.124 1.00 0.00 H new ATOM 581 N LYS A 39 13.348 -16.797 -6.068 1.00 0.00 N ATOM 582 CA LYS A 39 14.133 -16.196 -7.140 1.00 0.00 C ATOM 583 C LYS A 39 14.947 -15.014 -6.621 1.00 0.00 C ATOM 584 O LYS A 39 16.151 -14.923 -6.862 1.00 0.00 O ATOM 585 CB LYS A 39 13.216 -15.738 -8.276 1.00 0.00 C ATOM 586 CG LYS A 39 11.971 -15.012 -7.798 1.00 0.00 C ATOM 587 CD LYS A 39 10.789 -15.266 -8.719 1.00 0.00 C ATOM 588 CE LYS A 39 9.837 -14.080 -8.744 1.00 0.00 C ATOM 589 NZ LYS A 39 10.373 -12.956 -9.561 1.00 0.00 N ATOM 0 H LYS A 39 12.381 -17.004 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 39 14.822 -16.951 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.776 -15.081 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.917 -16.607 -8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.723 -15.339 -6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.170 -13.942 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.149 -15.466 -9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.254 -16.156 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.875 -14.395 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.659 -13.736 -7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.022 -12.053 -9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.412 -12.966 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.059 -13.063 -10.547 1.00 0.00 H new ATOM 603 N LEU A 40 14.282 -14.113 -5.907 1.00 0.00 N ATOM 604 CA LEU A 40 14.945 -12.937 -5.352 1.00 0.00 C ATOM 605 C LEU A 40 16.089 -13.342 -4.429 1.00 0.00 C ATOM 606 O LEU A 40 17.107 -12.655 -4.347 1.00 0.00 O ATOM 607 CB LEU A 40 13.939 -12.074 -4.589 1.00 0.00 C ATOM 608 CG LEU A 40 12.806 -11.470 -5.419 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.594 -11.188 -4.544 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.272 -10.199 -6.114 1.00 0.00 C ATOM 0 H LEU A 40 13.285 -14.173 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 40 15.358 -12.358 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.499 -12.679 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.481 -11.261 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 40 12.517 -12.192 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.798 -10.758 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.246 -12.118 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.869 -10.485 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.452 -9.783 -6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.590 -9.471 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.108 -10.431 -6.773 1.00 0.00 H new ATOM 622 N GLY A 41 15.916 -14.463 -3.736 1.00 0.00 N ATOM 623 CA GLY A 41 16.943 -14.941 -2.829 1.00 0.00 C ATOM 624 C GLY A 41 16.553 -14.777 -1.373 1.00 0.00 C ATOM 625 O GLY A 41 17.410 -14.795 -0.489 1.00 0.00 O ATOM 0 H GLY A 41 15.083 -15.049 -3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.142 -15.993 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.870 -14.399 -3.017 1.00 0.00 H new ATOM 629 N ILE A 42 15.259 -14.615 -1.124 1.00 0.00 N ATOM 630 CA ILE A 42 14.758 -14.446 0.235 1.00 0.00 C ATOM 631 C ILE A 42 14.074 -15.715 0.731 1.00 0.00 C ATOM 632 O ILE A 42 12.908 -15.965 0.424 1.00 0.00 O ATOM 633 CB ILE A 42 13.766 -13.272 0.327 1.00 0.00 C ATOM 634 CG1 ILE A 42 14.429 -11.976 -0.146 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.254 -13.122 1.752 1.00 0.00 C ATOM 636 CD1 ILE A 42 13.458 -10.986 -0.750 1.00 0.00 C ATOM 0 H ILE A 42 14.538 -14.597 -1.845 1.00 0.00 H new ATOM 0 HA ILE A 42 15.621 -14.232 0.865 1.00 0.00 H new ATOM 0 HB ILE A 42 12.917 -13.481 -0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.935 -11.507 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.195 -12.217 -0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.554 -12.288 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.748 -14.039 2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.093 -12.932 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.997 -10.092 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.970 -11.436 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.706 -10.715 -0.009 1.00 0.00 H new ATOM 648 N HIS A 43 14.807 -16.514 1.500 1.00 0.00 N ATOM 649 CA HIS A 43 14.270 -17.757 2.042 1.00 0.00 C ATOM 650 C HIS A 43 13.617 -17.521 3.400 1.00 0.00 C ATOM 651 O HIS A 43 13.843 -18.273 4.349 1.00 0.00 O ATOM 652 CB HIS A 43 15.379 -18.803 2.170 1.00 0.00 C ATOM 653 CG HIS A 43 15.925 -19.261 0.853 1.00 0.00 C ATOM 654 ND1 HIS A 43 15.443 -20.365 0.182 1.00 0.00 N ATOM 655 CD2 HIS A 43 16.917 -18.758 0.083 1.00 0.00 C ATOM 656 CE1 HIS A 43 16.116 -20.521 -0.944 1.00 0.00 C ATOM 657 NE2 HIS A 43 17.016 -19.559 -1.028 1.00 0.00 N ATOM 0 H HIS A 43 15.774 -16.323 1.762 1.00 0.00 H new ATOM 0 HA HIS A 43 13.510 -18.126 1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 43 16.192 -18.388 2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 43 14.993 -19.665 2.714 1.00 0.00 H new ATOM 0 HD2 HIS A 43 17.519 -17.888 0.301 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.957 -21.303 -1.672 1.00 0.00 H new ATOM 0 HE2 HIS A 43 17.678 -19.431 -1.794 1.00 0.00 H new ATOM 666 N LYS A 44 12.807 -16.472 3.488 1.00 0.00 N ATOM 667 CA LYS A 44 12.120 -16.136 4.729 1.00 0.00 C ATOM 668 C LYS A 44 10.656 -16.559 4.673 1.00 0.00 C ATOM 669 O LYS A 44 9.790 -15.784 4.266 1.00 0.00 O ATOM 670 CB LYS A 44 12.218 -14.633 4.999 1.00 0.00 C ATOM 671 CG LYS A 44 13.522 -14.216 5.657 1.00 0.00 C ATOM 672 CD LYS A 44 13.774 -12.725 5.501 1.00 0.00 C ATOM 673 CE LYS A 44 15.205 -12.361 5.864 1.00 0.00 C ATOM 674 NZ LYS A 44 15.453 -12.479 7.328 1.00 0.00 N ATOM 0 H LYS A 44 12.610 -15.839 2.713 1.00 0.00 H new ATOM 0 HA LYS A 44 12.605 -16.677 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.108 -14.095 4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.387 -14.332 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.494 -14.472 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.348 -14.774 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.571 -12.426 4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.084 -12.170 6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.893 -13.012 5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.413 -11.341 5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.439 -12.222 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.814 -11.839 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.279 -13.458 7.632 1.00 0.00 H new ATOM 688 N THR A 45 10.385 -17.794 5.085 1.00 0.00 N ATOM 689 CA THR A 45 9.026 -18.320 5.081 1.00 0.00 C ATOM 690 C THR A 45 8.104 -17.467 5.945 1.00 0.00 C ATOM 691 O THR A 45 7.021 -17.073 5.512 1.00 0.00 O ATOM 692 CB THR A 45 8.985 -19.774 5.588 1.00 0.00 C ATOM 693 OG1 THR A 45 9.916 -20.576 4.851 1.00 0.00 O ATOM 694 CG2 THR A 45 7.587 -20.356 5.450 1.00 0.00 C ATOM 0 H THR A 45 11.089 -18.448 5.426 1.00 0.00 H new ATOM 0 HA THR A 45 8.680 -18.293 4.048 1.00 0.00 H new ATOM 0 HB THR A 45 9.259 -19.776 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.885 -21.499 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.583 -21.383 5.814 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.886 -19.761 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.289 -20.342 4.402 1.00 0.00 H new ATOM 702 N ASP A 46 8.541 -17.184 7.167 1.00 0.00 N ATOM 703 CA ASP A 46 7.755 -16.375 8.092 1.00 0.00 C ATOM 704 C ASP A 46 7.674 -14.928 7.614 1.00 0.00 C ATOM 705 O ASP A 46 8.665 -14.332 7.191 1.00 0.00 O ATOM 706 CB ASP A 46 8.363 -16.429 9.494 1.00 0.00 C ATOM 707 CG ASP A 46 7.321 -16.264 10.583 1.00 0.00 C ATOM 708 OD1 ASP A 46 6.545 -17.215 10.811 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.284 -15.184 11.208 1.00 0.00 O ATOM 0 H ASP A 46 9.435 -17.503 7.540 1.00 0.00 H new ATOM 0 HA ASP A 46 6.745 -16.784 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.877 -17.381 9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.114 -15.645 9.592 1.00 0.00 H new ATOM 714 N PRO A 47 6.466 -14.349 7.682 1.00 0.00 N ATOM 715 CA PRO A 47 6.227 -12.966 7.260 1.00 0.00 C ATOM 716 C PRO A 47 6.873 -11.954 8.200 1.00 0.00 C ATOM 717 O PRO A 47 6.990 -10.773 7.871 1.00 0.00 O ATOM 718 CB PRO A 47 4.702 -12.840 7.305 1.00 0.00 C ATOM 719 CG PRO A 47 4.267 -13.862 8.298 1.00 0.00 C ATOM 720 CD PRO A 47 5.241 -15.001 8.175 1.00 0.00 C ATOM 0 HA PRO A 47 6.657 -12.759 6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.396 -11.839 7.608 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.260 -13.026 6.326 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.272 -13.452 9.308 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.249 -14.195 8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.406 -15.494 9.133 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.884 -15.762 7.482 1.00 0.00 H new ATOM 728 N SER A 48 7.290 -12.423 9.371 1.00 0.00 N ATOM 729 CA SER A 48 7.922 -11.558 10.360 1.00 0.00 C ATOM 730 C SER A 48 9.396 -11.341 10.031 1.00 0.00 C ATOM 731 O SER A 48 9.886 -10.211 10.036 1.00 0.00 O ATOM 732 CB SER A 48 7.784 -12.161 11.760 1.00 0.00 C ATOM 733 OG SER A 48 6.445 -12.544 12.020 1.00 0.00 O ATOM 0 H SER A 48 7.202 -13.398 9.658 1.00 0.00 H new ATOM 0 HA SER A 48 7.417 -10.593 10.336 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.438 -13.028 11.852 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.109 -11.436 12.506 1.00 0.00 H new ATOM 0 HG SER A 48 6.335 -13.499 11.831 1.00 0.00 H new ATOM 739 N THR A 49 10.098 -12.432 9.744 1.00 0.00 N ATOM 740 CA THR A 49 11.516 -12.364 9.413 1.00 0.00 C ATOM 741 C THR A 49 11.787 -11.279 8.377 1.00 0.00 C ATOM 742 O THR A 49 12.684 -10.452 8.549 1.00 0.00 O ATOM 743 CB THR A 49 12.033 -13.711 8.875 1.00 0.00 C ATOM 744 OG1 THR A 49 11.141 -14.215 7.875 1.00 0.00 O ATOM 745 CG2 THR A 49 12.168 -14.727 10.000 1.00 0.00 C ATOM 0 H THR A 49 9.708 -13.374 9.734 1.00 0.00 H new ATOM 0 HA THR A 49 12.044 -12.123 10.335 1.00 0.00 H new ATOM 0 HB THR A 49 13.016 -13.547 8.434 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.215 -14.064 8.157 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.535 -15.671 9.596 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.871 -14.354 10.745 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.195 -14.885 10.466 1.00 0.00 H new ATOM 753 N LEU A 50 11.006 -11.285 7.302 1.00 0.00 N ATOM 754 CA LEU A 50 11.161 -10.300 6.238 1.00 0.00 C ATOM 755 C LEU A 50 11.479 -8.923 6.812 1.00 0.00 C ATOM 756 O LEU A 50 10.927 -8.523 7.838 1.00 0.00 O ATOM 757 CB LEU A 50 9.890 -10.231 5.391 1.00 0.00 C ATOM 758 CG LEU A 50 9.797 -11.230 4.236 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.139 -12.520 4.698 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.030 -10.626 3.069 1.00 0.00 C ATOM 0 H LEU A 50 10.259 -11.961 7.145 1.00 0.00 H new ATOM 0 HA LEU A 50 11.994 -10.611 5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.032 -10.383 6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.804 -9.224 4.982 1.00 0.00 H new ATOM 0 HG LEU A 50 10.807 -11.462 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.082 -13.218 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.729 -12.962 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.134 -12.306 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.974 -11.351 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.022 -10.364 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.544 -9.730 2.721 1.00 0.00 H new ATOM 772 N THR A 51 12.372 -8.200 6.143 1.00 0.00 N ATOM 773 CA THR A 51 12.762 -6.867 6.586 1.00 0.00 C ATOM 774 C THR A 51 12.333 -5.806 5.580 1.00 0.00 C ATOM 775 O THR A 51 12.116 -6.103 4.405 1.00 0.00 O ATOM 776 CB THR A 51 14.284 -6.770 6.800 1.00 0.00 C ATOM 777 OG1 THR A 51 14.966 -6.940 5.552 1.00 0.00 O ATOM 778 CG2 THR A 51 14.760 -7.822 7.791 1.00 0.00 C ATOM 0 H THR A 51 12.839 -8.515 5.293 1.00 0.00 H new ATOM 0 HA THR A 51 12.257 -6.689 7.535 1.00 0.00 H new ATOM 0 HB THR A 51 14.509 -5.784 7.206 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.351 -7.840 5.510 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.838 -7.734 7.926 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.261 -7.672 8.748 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.522 -8.815 7.410 1.00 0.00 H new ATOM 786 N GLU A 52 12.212 -4.568 6.048 1.00 0.00 N ATOM 787 CA GLU A 52 11.809 -3.462 5.187 1.00 0.00 C ATOM 788 C GLU A 52 12.356 -3.644 3.774 1.00 0.00 C ATOM 789 O GLU A 52 11.618 -3.549 2.795 1.00 0.00 O ATOM 790 CB GLU A 52 12.294 -2.132 5.766 1.00 0.00 C ATOM 791 CG GLU A 52 11.402 -1.587 6.869 1.00 0.00 C ATOM 792 CD GLU A 52 11.458 -0.075 6.971 1.00 0.00 C ATOM 793 OE1 GLU A 52 11.153 0.599 5.964 1.00 0.00 O ATOM 794 OE2 GLU A 52 11.806 0.435 8.056 1.00 0.00 O ATOM 0 H GLU A 52 12.387 -4.306 7.018 1.00 0.00 H new ATOM 0 HA GLU A 52 10.720 -3.453 5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.303 -2.262 6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.356 -1.397 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.373 -1.897 6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.701 -2.023 7.822 1.00 0.00 H new ATOM 801 N GLU A 53 13.656 -3.907 3.679 1.00 0.00 N ATOM 802 CA GLU A 53 14.303 -4.101 2.387 1.00 0.00 C ATOM 803 C GLU A 53 13.597 -5.189 1.583 1.00 0.00 C ATOM 804 O GLU A 53 13.162 -4.957 0.456 1.00 0.00 O ATOM 805 CB GLU A 53 15.776 -4.468 2.579 1.00 0.00 C ATOM 806 CG GLU A 53 16.649 -4.132 1.381 1.00 0.00 C ATOM 807 CD GLU A 53 18.125 -4.342 1.658 1.00 0.00 C ATOM 808 OE1 GLU A 53 18.471 -5.358 2.295 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.934 -3.489 1.235 1.00 0.00 O ATOM 0 H GLU A 53 14.281 -3.990 4.481 1.00 0.00 H new ATOM 0 HA GLU A 53 14.239 -3.164 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.160 -3.946 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.852 -5.536 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.351 -4.750 0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.481 -3.094 1.093 1.00 0.00 H new ATOM 816 N GLU A 54 13.488 -6.376 2.172 1.00 0.00 N ATOM 817 CA GLU A 54 12.837 -7.499 1.510 1.00 0.00 C ATOM 818 C GLU A 54 11.397 -7.153 1.142 1.00 0.00 C ATOM 819 O GLU A 54 10.956 -7.396 0.018 1.00 0.00 O ATOM 820 CB GLU A 54 12.861 -8.735 2.412 1.00 0.00 C ATOM 821 CG GLU A 54 14.224 -9.402 2.494 1.00 0.00 C ATOM 822 CD GLU A 54 15.125 -8.762 3.531 1.00 0.00 C ATOM 823 OE1 GLU A 54 15.656 -7.665 3.259 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.300 -9.357 4.615 1.00 0.00 O ATOM 0 H GLU A 54 13.842 -6.584 3.106 1.00 0.00 H new ATOM 0 HA GLU A 54 13.386 -7.716 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.545 -8.449 3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.134 -9.458 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.094 -10.458 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.707 -9.353 1.518 1.00 0.00 H new ATOM 831 N VAL A 55 10.668 -6.585 2.097 1.00 0.00 N ATOM 832 CA VAL A 55 9.278 -6.205 1.875 1.00 0.00 C ATOM 833 C VAL A 55 9.146 -5.292 0.661 1.00 0.00 C ATOM 834 O VAL A 55 8.423 -5.602 -0.286 1.00 0.00 O ATOM 835 CB VAL A 55 8.687 -5.493 3.106 1.00 0.00 C ATOM 836 CG1 VAL A 55 7.246 -5.081 2.844 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.779 -6.388 4.333 1.00 0.00 C ATOM 0 H VAL A 55 11.017 -6.378 3.033 1.00 0.00 H new ATOM 0 HA VAL A 55 8.722 -7.126 1.696 1.00 0.00 H new ATOM 0 HB VAL A 55 9.269 -4.591 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.845 -4.579 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.211 -4.402 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.648 -5.966 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.357 -5.870 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.222 -7.308 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.824 -6.628 4.530 1.00 0.00 H new ATOM 847 N ARG A 56 9.849 -4.165 0.696 1.00 0.00 N ATOM 848 CA ARG A 56 9.810 -3.205 -0.401 1.00 0.00 C ATOM 849 C ARG A 56 9.963 -3.910 -1.745 1.00 0.00 C ATOM 850 O ARG A 56 9.208 -3.652 -2.683 1.00 0.00 O ATOM 851 CB ARG A 56 10.915 -2.161 -0.232 1.00 0.00 C ATOM 852 CG ARG A 56 10.654 -1.174 0.894 1.00 0.00 C ATOM 853 CD ARG A 56 11.325 0.165 0.628 1.00 0.00 C ATOM 854 NE ARG A 56 11.628 0.880 1.865 1.00 0.00 N ATOM 855 CZ ARG A 56 12.425 1.941 1.924 1.00 0.00 C ATOM 856 NH1 ARG A 56 12.995 2.408 0.822 1.00 0.00 N ATOM 857 NH2 ARG A 56 12.652 2.538 3.087 1.00 0.00 N ATOM 0 H ARG A 56 10.453 -3.894 1.472 1.00 0.00 H new ATOM 0 HA ARG A 56 8.841 -2.706 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.860 -2.671 -0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.030 -1.611 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.580 -1.027 1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.022 -1.586 1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.246 0.004 0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.675 0.779 0.004 1.00 0.00 H new ATOM 0 HE ARG A 56 11.204 0.546 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.822 1.952 -0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.607 3.223 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.214 2.182 3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.264 3.353 3.131 1.00 0.00 H new ATOM 871 N LYS A 57 10.945 -4.801 -1.832 1.00 0.00 N ATOM 872 CA LYS A 57 11.197 -5.545 -3.061 1.00 0.00 C ATOM 873 C LYS A 57 10.005 -6.427 -3.418 1.00 0.00 C ATOM 874 O LYS A 57 9.530 -6.417 -4.554 1.00 0.00 O ATOM 875 CB LYS A 57 12.455 -6.404 -2.912 1.00 0.00 C ATOM 876 CG LYS A 57 13.740 -5.661 -3.233 1.00 0.00 C ATOM 877 CD LYS A 57 14.880 -6.622 -3.530 1.00 0.00 C ATOM 878 CE LYS A 57 15.429 -7.245 -2.256 1.00 0.00 C ATOM 879 NZ LYS A 57 16.106 -6.237 -1.393 1.00 0.00 N ATOM 0 H LYS A 57 11.580 -5.026 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 57 11.348 -4.827 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.509 -6.781 -1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.373 -7.271 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.580 -5.009 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.011 -5.022 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.530 -7.408 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.678 -6.092 -4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.616 -7.712 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.134 -8.036 -2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.652 -6.724 -0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.747 -5.658 -1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.392 -5.625 -0.949 1.00 0.00 H new ATOM 893 N PHE A 58 9.525 -7.188 -2.440 1.00 0.00 N ATOM 894 CA PHE A 58 8.387 -8.076 -2.651 1.00 0.00 C ATOM 895 C PHE A 58 7.182 -7.301 -3.173 1.00 0.00 C ATOM 896 O PHE A 58 6.546 -7.703 -4.147 1.00 0.00 O ATOM 897 CB PHE A 58 8.023 -8.791 -1.349 1.00 0.00 C ATOM 898 CG PHE A 58 6.913 -9.791 -1.504 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.027 -10.838 -2.404 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.755 -9.683 -0.750 1.00 0.00 C ATOM 901 CE1 PHE A 58 6.007 -11.760 -2.549 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.733 -10.602 -0.891 1.00 0.00 C ATOM 903 CZ PHE A 58 4.858 -11.641 -1.792 1.00 0.00 C ATOM 0 H PHE A 58 9.906 -7.208 -1.494 1.00 0.00 H new ATOM 0 HA PHE A 58 8.670 -8.818 -3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.907 -9.299 -0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.732 -8.049 -0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.923 -10.935 -2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.650 -8.872 -0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.109 -12.572 -3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.836 -10.508 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.059 -12.359 -1.904 1.00 0.00 H new ATOM 913 N ALA A 59 6.873 -6.187 -2.517 1.00 0.00 N ATOM 914 CA ALA A 59 5.745 -5.353 -2.915 1.00 0.00 C ATOM 915 C ALA A 59 5.848 -4.954 -4.383 1.00 0.00 C ATOM 916 O ALA A 59 4.912 -5.153 -5.158 1.00 0.00 O ATOM 917 CB ALA A 59 5.667 -4.116 -2.034 1.00 0.00 C ATOM 0 H ALA A 59 7.388 -5.841 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 59 4.832 -5.935 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.820 -3.503 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.537 -4.417 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.587 -3.540 -2.133 1.00 0.00 H new ATOM 923 N ARG A 60 6.991 -4.390 -4.759 1.00 0.00 N ATOM 924 CA ARG A 60 7.215 -3.961 -6.135 1.00 0.00 C ATOM 925 C ARG A 60 6.544 -4.915 -7.118 1.00 0.00 C ATOM 926 O ARG A 60 5.786 -4.491 -7.992 1.00 0.00 O ATOM 927 CB ARG A 60 8.714 -3.881 -6.428 1.00 0.00 C ATOM 928 CG ARG A 60 9.390 -2.664 -5.819 1.00 0.00 C ATOM 929 CD ARG A 60 10.902 -2.732 -5.970 1.00 0.00 C ATOM 930 NE ARG A 60 11.505 -1.404 -6.048 1.00 0.00 N ATOM 931 CZ ARG A 60 12.803 -1.175 -5.881 1.00 0.00 C ATOM 932 NH1 ARG A 60 13.630 -2.180 -5.629 1.00 0.00 N ATOM 933 NH2 ARG A 60 13.276 0.062 -5.966 1.00 0.00 N ATOM 0 H ARG A 60 7.776 -4.219 -4.131 1.00 0.00 H new ATOM 0 HA ARG A 60 6.774 -2.972 -6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.198 -4.782 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.864 -3.867 -7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.016 -1.760 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.132 -2.594 -4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.327 -3.274 -5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.151 -3.297 -6.868 1.00 0.00 H new ATOM 0 HE ARG A 60 10.896 -0.609 -6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.270 -3.132 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.626 -2.001 -5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.643 0.838 -6.160 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.273 0.237 -5.838 1.00 0.00 H new ATOM 947 N LEU A 61 6.826 -6.204 -6.970 1.00 0.00 N ATOM 948 CA LEU A 61 6.250 -7.219 -7.845 1.00 0.00 C ATOM 949 C LEU A 61 4.815 -6.863 -8.221 1.00 0.00 C ATOM 950 O LEU A 61 4.441 -6.905 -9.392 1.00 0.00 O ATOM 951 CB LEU A 61 6.286 -8.588 -7.164 1.00 0.00 C ATOM 952 CG LEU A 61 7.653 -9.269 -7.096 1.00 0.00 C ATOM 953 CD1 LEU A 61 7.618 -10.443 -6.130 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.090 -9.727 -8.480 1.00 0.00 C ATOM 0 H LEU A 61 7.450 -6.572 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 61 6.846 -7.258 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.908 -8.476 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.598 -9.251 -7.689 1.00 0.00 H new ATOM 0 HG LEU A 61 8.380 -8.545 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.600 -10.915 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.351 -10.088 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.878 -11.169 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.065 -10.209 -8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.362 -10.435 -8.876 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.157 -8.865 -9.144 1.00 0.00 H new ATOM 966 N ASN A 62 4.016 -6.510 -7.219 1.00 0.00 N ATOM 967 CA ASN A 62 2.623 -6.145 -7.445 1.00 0.00 C ATOM 968 C ASN A 62 2.507 -4.691 -7.891 1.00 0.00 C ATOM 969 O ASN A 62 2.646 -3.770 -7.085 1.00 0.00 O ATOM 970 CB ASN A 62 1.803 -6.366 -6.172 1.00 0.00 C ATOM 971 CG ASN A 62 1.674 -7.834 -5.814 1.00 0.00 C ATOM 972 OD1 ASN A 62 2.571 -8.417 -5.205 1.00 0.00 O ATOM 973 ND2 ASN A 62 0.555 -8.439 -6.193 1.00 0.00 N ATOM 0 H ASN A 62 4.310 -6.469 -6.243 1.00 0.00 H new ATOM 0 HA ASN A 62 2.231 -6.782 -8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.271 -5.833 -5.345 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.809 -5.939 -6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.412 -9.426 -5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.162 -7.916 -6.696 1.00 0.00 H new ATOM 980 N ILE A 63 2.252 -4.492 -9.180 1.00 0.00 N ATOM 981 CA ILE A 63 2.116 -3.150 -9.733 1.00 0.00 C ATOM 982 C ILE A 63 0.679 -2.875 -10.162 1.00 0.00 C ATOM 983 O ILE A 63 0.192 -3.445 -11.139 1.00 0.00 O ATOM 984 CB ILE A 63 3.049 -2.942 -10.941 1.00 0.00 C ATOM 985 CG1 ILE A 63 4.506 -3.165 -10.532 1.00 0.00 C ATOM 986 CG2 ILE A 63 2.863 -1.548 -11.520 1.00 0.00 C ATOM 987 CD1 ILE A 63 5.434 -3.399 -11.704 1.00 0.00 C ATOM 0 H ILE A 63 2.135 -5.243 -9.861 1.00 0.00 H new ATOM 0 HA ILE A 63 2.396 -2.453 -8.943 1.00 0.00 H new ATOM 0 HB ILE A 63 2.792 -3.671 -11.710 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.854 -2.298 -9.971 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.559 -4.022 -9.860 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.529 -1.416 -12.373 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.830 -1.423 -11.844 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.097 -0.804 -10.759 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.450 -3.549 -11.339 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.111 -4.284 -12.253 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.410 -2.533 -12.365 1.00 0.00 H new ATOM 999 N ASP A 64 0.005 -1.998 -9.426 1.00 0.00 N ATOM 1000 CA ASP A 64 -1.376 -1.645 -9.731 1.00 0.00 C ATOM 1001 C ASP A 64 -1.435 -0.432 -10.654 1.00 0.00 C ATOM 1002 O ASP A 64 -0.558 0.432 -10.643 1.00 0.00 O ATOM 1003 CB ASP A 64 -2.148 -1.358 -8.442 1.00 0.00 C ATOM 1004 CG ASP A 64 -1.890 -2.398 -7.370 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -2.576 -3.442 -7.379 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -1.004 -2.168 -6.520 1.00 0.00 O ATOM 0 H ASP A 64 0.393 -1.519 -8.614 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.837 -2.491 -10.241 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.868 -0.374 -8.065 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.215 -1.323 -8.661 1.00 0.00 H new ATOM 1011 N PRO A 65 -2.494 -0.364 -11.475 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.693 0.739 -12.421 1.00 0.00 C ATOM 1013 C PRO A 65 -3.029 2.050 -11.720 1.00 0.00 C ATOM 1014 O PRO A 65 -3.276 3.066 -12.369 1.00 0.00 O ATOM 1015 CB PRO A 65 -3.876 0.268 -13.270 1.00 0.00 C ATOM 1016 CG PRO A 65 -4.618 -0.681 -12.394 1.00 0.00 C ATOM 1017 CD PRO A 65 -3.579 -1.357 -11.543 1.00 0.00 C ATOM 0 HA PRO A 65 -1.793 0.949 -12.998 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.506 1.105 -13.570 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.538 -0.219 -14.184 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -5.346 -0.155 -11.777 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.171 -1.409 -12.987 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.966 -1.598 -10.553 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.240 -2.292 -11.989 1.00 0.00 H new ATOM 1025 N ALA A 66 -3.034 2.021 -10.391 1.00 0.00 N ATOM 1026 CA ALA A 66 -3.337 3.209 -9.602 1.00 0.00 C ATOM 1027 C ALA A 66 -2.121 3.661 -8.801 1.00 0.00 C ATOM 1028 O ALA A 66 -1.976 4.842 -8.484 1.00 0.00 O ATOM 1029 CB ALA A 66 -4.512 2.941 -8.674 1.00 0.00 C ATOM 0 H ALA A 66 -2.832 1.188 -9.838 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.606 4.012 -10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.727 3.837 -8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.388 2.673 -9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.264 2.121 -8.000 1.00 0.00 H new ATOM 1035 N THR A 67 -1.247 2.714 -8.476 1.00 0.00 N ATOM 1036 CA THR A 67 -0.043 3.014 -7.710 1.00 0.00 C ATOM 1037 C THR A 67 1.167 3.164 -8.625 1.00 0.00 C ATOM 1038 O THR A 67 2.294 3.330 -8.156 1.00 0.00 O ATOM 1039 CB THR A 67 0.247 1.918 -6.668 1.00 0.00 C ATOM 1040 OG1 THR A 67 1.054 2.449 -5.611 1.00 0.00 O ATOM 1041 CG2 THR A 67 0.957 0.735 -7.310 1.00 0.00 C ATOM 0 H THR A 67 -1.350 1.732 -8.731 1.00 0.00 H new ATOM 0 HA THR A 67 -0.223 3.957 -7.193 1.00 0.00 H new ATOM 0 HB THR A 67 -0.704 1.573 -6.261 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.799 2.959 -5.993 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.151 -0.026 -6.555 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.328 0.315 -8.095 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.901 1.068 -7.741 1.00 0.00 H new ATOM 1049 N ILE A 68 0.927 3.105 -9.930 1.00 0.00 N ATOM 1050 CA ILE A 68 1.999 3.236 -10.910 1.00 0.00 C ATOM 1051 C ILE A 68 3.073 4.202 -10.423 1.00 0.00 C ATOM 1052 O ILE A 68 2.775 5.322 -10.008 1.00 0.00 O ATOM 1053 CB ILE A 68 1.462 3.724 -12.269 1.00 0.00 C ATOM 1054 CG1 ILE A 68 0.435 2.734 -12.822 1.00 0.00 C ATOM 1055 CG2 ILE A 68 2.607 3.912 -13.253 1.00 0.00 C ATOM 1056 CD1 ILE A 68 -0.625 3.382 -13.685 1.00 0.00 C ATOM 0 H ILE A 68 0.000 2.967 -10.334 1.00 0.00 H new ATOM 0 HA ILE A 68 2.435 2.245 -11.036 1.00 0.00 H new ATOM 0 HB ILE A 68 0.970 4.686 -12.125 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.953 1.974 -13.407 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.048 2.222 -11.990 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.212 4.257 -14.209 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.306 4.651 -12.861 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.124 2.963 -13.395 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.319 2.621 -14.042 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.169 4.122 -13.099 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.152 3.870 -14.537 1.00 0.00 H new ATOM 1068 N THR A 69 4.326 3.761 -10.479 1.00 0.00 N ATOM 1069 CA THR A 69 5.446 4.587 -10.045 1.00 0.00 C ATOM 1070 C THR A 69 6.364 4.927 -11.213 1.00 0.00 C ATOM 1071 O THR A 69 6.835 4.038 -11.924 1.00 0.00 O ATOM 1072 CB THR A 69 6.269 3.885 -8.948 1.00 0.00 C ATOM 1073 OG1 THR A 69 7.437 4.656 -8.643 1.00 0.00 O ATOM 1074 CG2 THR A 69 6.679 2.488 -9.389 1.00 0.00 C ATOM 0 H THR A 69 4.590 2.837 -10.820 1.00 0.00 H new ATOM 0 HA THR A 69 5.022 5.506 -9.640 1.00 0.00 H new ATOM 0 HB THR A 69 5.647 3.800 -8.057 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.954 4.204 -7.944 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.259 2.012 -8.598 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.788 1.894 -9.593 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.285 2.555 -10.293 1.00 0.00 H new ATOM 1082 N TRP A 70 6.614 6.216 -11.407 1.00 0.00 N ATOM 1083 CA TRP A 70 7.477 6.673 -12.490 1.00 0.00 C ATOM 1084 C TRP A 70 8.870 7.013 -11.970 1.00 0.00 C ATOM 1085 O TRP A 70 9.459 8.019 -12.363 1.00 0.00 O ATOM 1086 CB TRP A 70 6.864 7.894 -13.178 1.00 0.00 C ATOM 1087 CG TRP A 70 5.411 7.725 -13.504 1.00 0.00 C ATOM 1088 CD1 TRP A 70 4.349 8.084 -12.724 1.00 0.00 C ATOM 1089 CD2 TRP A 70 4.862 7.152 -14.695 1.00 0.00 C ATOM 1090 NE1 TRP A 70 3.172 7.769 -13.360 1.00 0.00 N ATOM 1091 CE2 TRP A 70 3.459 7.197 -14.571 1.00 0.00 C ATOM 1092 CE3 TRP A 70 5.417 6.608 -15.856 1.00 0.00 C ATOM 1093 CZ2 TRP A 70 2.608 6.717 -15.562 1.00 0.00 C ATOM 1094 CZ3 TRP A 70 4.571 6.131 -16.840 1.00 0.00 C ATOM 1095 CH2 TRP A 70 3.179 6.189 -16.688 1.00 0.00 C ATOM 0 H TRP A 70 6.231 6.964 -10.829 1.00 0.00 H new ATOM 0 HA TRP A 70 7.568 5.864 -13.215 1.00 0.00 H new ATOM 0 HB2 TRP A 70 6.985 8.764 -12.533 1.00 0.00 H new ATOM 0 HB3 TRP A 70 7.414 8.099 -14.097 1.00 0.00 H new ATOM 0 HD1 TRP A 70 4.423 8.547 -11.751 1.00 0.00 H new ATOM 0 HE1 TRP A 70 2.236 7.934 -12.990 1.00 0.00 H new ATOM 0 HE3 TRP A 70 6.489 6.561 -15.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.535 6.760 -15.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 4.990 5.707 -17.741 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.544 5.809 -17.475 1.00 0.00 H new ATOM 1106 N GLN A 71 9.390 6.168 -11.086 1.00 0.00 N ATOM 1107 CA GLN A 71 10.713 6.380 -10.513 1.00 0.00 C ATOM 1108 C GLN A 71 11.639 5.212 -10.834 1.00 0.00 C ATOM 1109 O GLN A 71 12.780 5.164 -10.371 1.00 0.00 O ATOM 1110 CB GLN A 71 10.613 6.566 -8.998 1.00 0.00 C ATOM 1111 CG GLN A 71 11.785 7.326 -8.399 1.00 0.00 C ATOM 1112 CD GLN A 71 11.643 8.828 -8.545 1.00 0.00 C ATOM 1113 OE1 GLN A 71 10.536 9.366 -8.498 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.765 9.515 -8.722 1.00 0.00 N ATOM 0 H GLN A 71 8.915 5.330 -10.751 1.00 0.00 H new ATOM 0 HA GLN A 71 11.132 7.284 -10.955 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.690 7.097 -8.766 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.545 5.587 -8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.874 7.074 -7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.707 7.003 -8.882 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.661 9.029 -8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.731 10.529 -8.825 1.00 0.00 H new TER 1123 GLN A 71