USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 473 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 HIS : no HE2:sc= -5.19! C(o=-5.2!,f=-6.7!) USER MOD Set 1.3: A 30 SER OG : rot 180:sc=-0.00481 USER MOD Single : A 2 LYS NZ :NH3+ -136:sc= -0.252 (180deg=-2.37!) USER MOD Single : A 4 LYS NZ :NH3+ 148:sc= -0.112 (180deg=-0.776) USER MOD Single : A 7 SER OG : rot 180:sc= -0.533 USER MOD Single : A 8 TYR OH : rot -146:sc= 0.478 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -0.133 (180deg=-0.805) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 72:sc= 0.587 USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= -0.108 (180deg=-0.96) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -129:sc= -0.202 (180deg=-1.11) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -170:sc= -0.107 USER MOD Single : A 46 MET CE :methyl -156:sc= -0.107 (180deg=-0.781) USER MOD Single : A 48 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.1!) USER MOD Single : A 52 THR OG1 : rot -74:sc= 0.533 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 9.752 2.962 0.367 1.00 0.00 N ATOM 21 CA LYS A 2 9.979 1.641 -0.279 1.00 0.00 C ATOM 22 C LYS A 2 9.360 1.661 -1.674 1.00 0.00 C ATOM 23 O LYS A 2 9.405 0.691 -2.406 1.00 0.00 O ATOM 24 CB LYS A 2 9.325 0.543 0.562 1.00 0.00 C ATOM 25 CG LYS A 2 10.199 0.241 1.788 1.00 0.00 C ATOM 26 CD LYS A 2 10.519 1.541 2.535 1.00 0.00 C ATOM 27 CE LYS A 2 11.043 1.216 3.934 1.00 0.00 C ATOM 28 NZ LYS A 2 10.007 0.456 4.688 1.00 0.00 N ATOM 0 HA LYS A 2 11.048 1.442 -0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.331 0.858 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.197 -0.359 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.682 -0.452 2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.123 -0.246 1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.262 2.116 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.625 2.161 2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.960 0.630 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.292 2.136 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.936 0.832 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.088 0.553 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.273 -0.549 4.726 1.00 0.00 H new ATOM 42 N GLY A 3 8.783 2.770 -2.054 1.00 0.00 N ATOM 43 CA GLY A 3 8.168 2.858 -3.406 1.00 0.00 C ATOM 44 C GLY A 3 7.079 3.932 -3.421 1.00 0.00 C ATOM 45 O GLY A 3 6.956 4.728 -2.510 1.00 0.00 O ATOM 0 H GLY A 3 8.712 3.615 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.932 3.094 -4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.742 1.894 -3.683 1.00 0.00 H new ATOM 49 N LYS A 4 6.287 3.952 -4.465 1.00 0.00 N ATOM 50 CA LYS A 4 5.192 4.960 -4.581 1.00 0.00 C ATOM 51 C LYS A 4 3.889 4.254 -4.951 1.00 0.00 C ATOM 52 O LYS A 4 3.857 3.372 -5.787 1.00 0.00 O ATOM 53 CB LYS A 4 5.554 5.971 -5.673 1.00 0.00 C ATOM 54 CG LYS A 4 6.750 6.802 -5.209 1.00 0.00 C ATOM 55 CD LYS A 4 7.100 7.839 -6.277 1.00 0.00 C ATOM 56 CE LYS A 4 8.255 8.711 -5.783 1.00 0.00 C ATOM 57 NZ LYS A 4 9.351 7.842 -5.269 1.00 0.00 N ATOM 0 H LYS A 4 6.355 3.304 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 4 5.065 5.477 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.794 5.452 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.703 6.620 -5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.517 7.299 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.606 6.153 -5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.378 7.341 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.230 8.459 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.624 9.338 -6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.908 9.380 -4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.268 8.302 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.224 7.691 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.327 6.926 -5.760 1.00 0.00 H new ATOM 71 N VAL A 5 2.811 4.641 -4.322 1.00 0.00 N ATOM 72 CA VAL A 5 1.500 4.001 -4.615 1.00 0.00 C ATOM 73 C VAL A 5 0.882 4.622 -5.871 1.00 0.00 C ATOM 74 O VAL A 5 0.391 5.734 -5.855 1.00 0.00 O ATOM 75 CB VAL A 5 0.569 4.197 -3.413 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.421 5.695 -3.087 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.805 3.593 -3.723 1.00 0.00 C ATOM 0 H VAL A 5 2.784 5.376 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 5 1.644 2.935 -4.793 1.00 0.00 H new ATOM 0 HB VAL A 5 1.000 3.693 -2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.243 5.817 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.399 6.114 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.002 6.215 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.466 3.733 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.231 4.088 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.697 2.528 -3.927 1.00 0.00 H new ATOM 87 N VAL A 6 0.908 3.897 -6.960 1.00 0.00 N ATOM 88 CA VAL A 6 0.327 4.417 -8.228 1.00 0.00 C ATOM 89 C VAL A 6 -1.195 4.452 -8.113 1.00 0.00 C ATOM 90 O VAL A 6 -1.847 5.366 -8.582 1.00 0.00 O ATOM 91 CB VAL A 6 0.736 3.499 -9.382 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.142 2.101 -9.169 1.00 0.00 C ATOM 93 CG2 VAL A 6 0.222 4.071 -10.703 1.00 0.00 C ATOM 0 H VAL A 6 1.310 2.962 -7.023 1.00 0.00 H new ATOM 0 HA VAL A 6 0.696 5.425 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 6 1.823 3.430 -9.414 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.436 1.451 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.512 1.687 -8.231 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.945 2.170 -9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.515 3.415 -11.522 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.865 4.145 -10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.649 5.061 -10.861 1.00 0.00 H new ATOM 103 N SER A 7 -1.773 3.459 -7.488 1.00 0.00 N ATOM 104 CA SER A 7 -3.255 3.439 -7.347 1.00 0.00 C ATOM 105 C SER A 7 -3.654 2.619 -6.122 1.00 0.00 C ATOM 106 O SER A 7 -2.916 1.778 -5.644 1.00 0.00 O ATOM 107 CB SER A 7 -3.887 2.813 -8.591 1.00 0.00 C ATOM 108 OG SER A 7 -3.262 1.565 -8.856 1.00 0.00 O ATOM 0 H SER A 7 -1.284 2.666 -7.072 1.00 0.00 H new ATOM 0 HA SER A 7 -3.608 4.464 -7.231 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.957 2.672 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.772 3.479 -9.446 1.00 0.00 H new ATOM 0 HG SER A 7 -3.665 1.160 -9.652 1.00 0.00 H new ATOM 114 N TYR A 8 -4.838 2.852 -5.623 1.00 0.00 N ATOM 115 CA TYR A 8 -5.318 2.093 -4.443 1.00 0.00 C ATOM 116 C TYR A 8 -6.844 2.149 -4.398 1.00 0.00 C ATOM 117 O TYR A 8 -7.435 3.198 -4.214 1.00 0.00 O ATOM 118 CB TYR A 8 -4.738 2.687 -3.157 1.00 0.00 C ATOM 119 CG TYR A 8 -5.381 2.022 -1.957 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.232 0.643 -1.759 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.139 2.779 -1.052 1.00 0.00 C ATOM 122 CE1 TYR A 8 -5.836 0.024 -0.658 1.00 0.00 C ATOM 123 CE2 TYR A 8 -6.742 2.160 0.047 1.00 0.00 C ATOM 124 CZ TYR A 8 -6.591 0.783 0.243 1.00 0.00 C ATOM 125 OH TYR A 8 -7.186 0.171 1.326 1.00 0.00 O ATOM 0 H TYR A 8 -5.495 3.542 -5.988 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.990 1.057 -4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.658 2.541 -3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.915 3.762 -3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.651 0.057 -2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.257 3.842 -1.204 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.719 -1.039 -0.504 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.324 2.744 0.744 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.037 0.614 1.525 1.00 0.00 H new ATOM 135 N LEU A 9 -7.485 1.018 -4.558 1.00 0.00 N ATOM 136 CA LEU A 9 -8.977 0.970 -4.520 1.00 0.00 C ATOM 137 C LEU A 9 -9.406 0.202 -3.267 1.00 0.00 C ATOM 138 O LEU A 9 -9.384 -1.015 -3.223 1.00 0.00 O ATOM 139 CB LEU A 9 -9.492 0.261 -5.780 1.00 0.00 C ATOM 140 CG LEU A 9 -8.964 0.983 -7.031 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.436 0.244 -8.288 1.00 0.00 C ATOM 142 CD2 LEU A 9 -9.482 2.432 -7.062 1.00 0.00 C ATOM 0 H LEU A 9 -7.032 0.117 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.392 1.978 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.166 -0.779 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.582 0.253 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.874 0.994 -7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.061 0.757 -9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.057 -0.778 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.526 0.227 -8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.103 2.935 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.572 2.428 -7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.139 2.960 -6.172 1.00 0.00 H new ATOM 154 N ALA A 10 -9.789 0.919 -2.245 1.00 0.00 N ATOM 155 CA ALA A 10 -10.226 0.272 -0.975 1.00 0.00 C ATOM 156 C ALA A 10 -11.516 -0.510 -1.223 1.00 0.00 C ATOM 157 O ALA A 10 -11.782 -1.521 -0.600 1.00 0.00 O ATOM 158 CB ALA A 10 -10.482 1.360 0.072 1.00 0.00 C ATOM 0 H ALA A 10 -9.818 1.939 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.453 -0.409 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.802 0.898 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.565 1.924 0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.261 2.033 -0.286 1.00 0.00 H new ATOM 164 N ALA A 11 -12.323 -0.034 -2.129 1.00 0.00 N ATOM 165 CA ALA A 11 -13.612 -0.716 -2.438 1.00 0.00 C ATOM 166 C ALA A 11 -13.344 -2.140 -2.931 1.00 0.00 C ATOM 167 O ALA A 11 -14.082 -3.062 -2.640 1.00 0.00 O ATOM 168 CB ALA A 11 -14.333 0.067 -3.536 1.00 0.00 C ATOM 0 H ALA A 11 -12.143 0.808 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.226 -0.758 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.278 -0.422 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.526 1.083 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.709 0.099 -4.429 1.00 0.00 H new ATOM 174 N LYS A 12 -12.293 -2.325 -3.681 1.00 0.00 N ATOM 175 CA LYS A 12 -11.968 -3.686 -4.200 1.00 0.00 C ATOM 176 C LYS A 12 -10.978 -4.359 -3.246 1.00 0.00 C ATOM 177 O LYS A 12 -10.502 -5.450 -3.496 1.00 0.00 O ATOM 178 CB LYS A 12 -11.349 -3.556 -5.594 1.00 0.00 C ATOM 179 CG LYS A 12 -12.422 -3.073 -6.577 1.00 0.00 C ATOM 180 CD LYS A 12 -11.797 -2.842 -7.958 1.00 0.00 C ATOM 181 CE LYS A 12 -11.549 -4.183 -8.660 1.00 0.00 C ATOM 182 NZ LYS A 12 -11.253 -3.942 -10.100 1.00 0.00 N ATOM 0 H LYS A 12 -11.642 -1.590 -3.958 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.872 -4.291 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.516 -2.853 -5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.947 -4.516 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.221 -3.811 -6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.872 -2.150 -6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.457 -2.223 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.858 -2.299 -7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.716 -4.704 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.424 -4.825 -8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.085 -4.851 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.061 -3.462 -10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.406 -3.344 -10.185 1.00 0.00 H new ATOM 196 N LYS A 13 -10.671 -3.703 -2.154 1.00 0.00 N ATOM 197 CA LYS A 13 -9.717 -4.275 -1.158 1.00 0.00 C ATOM 198 C LYS A 13 -8.392 -4.595 -1.845 1.00 0.00 C ATOM 199 O LYS A 13 -7.487 -5.146 -1.247 1.00 0.00 O ATOM 200 CB LYS A 13 -10.305 -5.553 -0.545 1.00 0.00 C ATOM 201 CG LYS A 13 -11.528 -5.191 0.299 1.00 0.00 C ATOM 202 CD LYS A 13 -12.117 -6.462 0.914 1.00 0.00 C ATOM 203 CE LYS A 13 -13.310 -6.098 1.802 1.00 0.00 C ATOM 204 NZ LYS A 13 -14.230 -5.191 1.058 1.00 0.00 N ATOM 0 H LYS A 13 -11.045 -2.786 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.547 -3.547 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.586 -6.252 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.557 -6.052 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.246 -4.491 1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.275 -4.693 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.432 -7.147 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.358 -6.979 1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.840 -7.001 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.963 -5.612 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.157 -5.174 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.832 -4.230 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.344 -5.535 0.083 1.00 0.00 H new ATOM 218 N TYR A 14 -8.272 -4.250 -3.103 1.00 0.00 N ATOM 219 CA TYR A 14 -7.013 -4.525 -3.853 1.00 0.00 C ATOM 220 C TYR A 14 -6.551 -3.267 -4.580 1.00 0.00 C ATOM 221 O TYR A 14 -7.334 -2.394 -4.907 1.00 0.00 O ATOM 222 CB TYR A 14 -7.260 -5.636 -4.875 1.00 0.00 C ATOM 223 CG TYR A 14 -7.630 -6.914 -4.154 1.00 0.00 C ATOM 224 CD1 TYR A 14 -6.712 -7.518 -3.281 1.00 0.00 C ATOM 225 CD2 TYR A 14 -8.888 -7.500 -4.357 1.00 0.00 C ATOM 226 CE1 TYR A 14 -7.052 -8.701 -2.616 1.00 0.00 C ATOM 227 CE2 TYR A 14 -9.225 -8.685 -3.690 1.00 0.00 C ATOM 228 CZ TYR A 14 -8.307 -9.284 -2.821 1.00 0.00 C ATOM 229 OH TYR A 14 -8.638 -10.453 -2.165 1.00 0.00 O ATOM 0 H TYR A 14 -9.001 -3.785 -3.645 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.242 -4.836 -3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.060 -5.346 -5.557 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.367 -5.793 -5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.743 -7.069 -3.122 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.597 -7.038 -5.028 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.345 -9.164 -1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.194 -9.136 -3.847 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.545 -10.724 -2.417 1.00 0.00 H new ATOM 239 N GLY A 15 -5.275 -3.171 -4.832 1.00 0.00 N ATOM 240 CA GLY A 15 -4.739 -1.975 -5.528 1.00 0.00 C ATOM 241 C GLY A 15 -3.378 -2.300 -6.135 1.00 0.00 C ATOM 242 O GLY A 15 -2.968 -3.443 -6.197 1.00 0.00 O ATOM 0 H GLY A 15 -4.580 -3.875 -4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.430 -1.657 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.647 -1.145 -4.827 1.00 0.00 H new ATOM 246 N PHE A 16 -2.672 -1.293 -6.592 1.00 0.00 N ATOM 247 CA PHE A 16 -1.330 -1.520 -7.210 1.00 0.00 C ATOM 248 C PHE A 16 -0.325 -0.519 -6.646 1.00 0.00 C ATOM 249 O PHE A 16 -0.671 0.584 -6.258 1.00 0.00 O ATOM 250 CB PHE A 16 -1.430 -1.335 -8.724 1.00 0.00 C ATOM 251 CG PHE A 16 -2.302 -2.421 -9.306 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.740 -3.653 -9.657 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.671 -2.195 -9.495 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.547 -4.661 -10.199 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.478 -3.204 -10.037 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.916 -4.436 -10.387 1.00 0.00 C ATOM 0 H PHE A 16 -2.971 -0.318 -6.562 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.997 -2.533 -6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.848 -0.355 -8.955 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.437 -1.372 -9.172 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.684 -3.827 -9.510 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.104 -1.244 -9.223 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.113 -5.612 -10.472 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.534 -3.030 -10.184 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.539 -5.214 -10.803 1.00 0.00 H new ATOM 266 N ILE A 17 0.927 -0.906 -6.604 1.00 0.00 N ATOM 267 CA ILE A 17 1.988 -0.003 -6.070 1.00 0.00 C ATOM 268 C ILE A 17 3.190 -0.020 -7.013 1.00 0.00 C ATOM 269 O ILE A 17 3.366 -0.930 -7.799 1.00 0.00 O ATOM 270 CB ILE A 17 2.420 -0.484 -4.685 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.252 -0.320 -3.708 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.613 0.344 -4.201 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.578 -1.027 -2.391 1.00 0.00 C ATOM 0 H ILE A 17 1.259 -1.817 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 17 1.597 1.012 -5.995 1.00 0.00 H new ATOM 0 HB ILE A 17 2.710 -1.533 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.063 0.738 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.342 -0.737 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.919 -0.001 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.443 0.229 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.328 1.395 -4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.745 -0.908 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.745 -2.088 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.477 -0.590 -1.956 1.00 0.00 H new ATOM 285 N GLN A 18 4.016 0.995 -6.937 1.00 0.00 N ATOM 286 CA GLN A 18 5.219 1.078 -7.820 1.00 0.00 C ATOM 287 C GLN A 18 6.489 0.949 -6.974 1.00 0.00 C ATOM 288 O GLN A 18 6.859 1.844 -6.235 1.00 0.00 O ATOM 289 CB GLN A 18 5.208 2.426 -8.540 1.00 0.00 C ATOM 290 CG GLN A 18 6.413 2.518 -9.474 1.00 0.00 C ATOM 291 CD GLN A 18 6.346 3.824 -10.266 1.00 0.00 C ATOM 292 OE1 GLN A 18 6.084 4.875 -9.710 1.00 0.00 O ATOM 293 NE2 GLN A 18 6.575 3.803 -11.550 1.00 0.00 N ATOM 0 H GLN A 18 3.906 1.778 -6.293 1.00 0.00 H new ATOM 0 HA GLN A 18 5.200 0.270 -8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.285 2.538 -9.109 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.236 3.238 -7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.337 2.477 -8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.424 1.667 -10.155 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.794 2.922 -12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.535 4.668 -12.089 1.00 0.00 H new ATOM 302 N GLY A 19 7.153 -0.172 -7.080 1.00 0.00 N ATOM 303 CA GLY A 19 8.395 -0.400 -6.289 1.00 0.00 C ATOM 304 C GLY A 19 9.539 0.478 -6.802 1.00 0.00 C ATOM 305 O GLY A 19 9.510 0.983 -7.908 1.00 0.00 O ATOM 0 H GLY A 19 6.884 -0.946 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.207 -0.181 -5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.682 -1.450 -6.350 1.00 0.00 H new ATOM 309 N ASP A 20 10.550 0.649 -5.992 1.00 0.00 N ATOM 310 CA ASP A 20 11.721 1.478 -6.395 1.00 0.00 C ATOM 311 C ASP A 20 12.448 0.819 -7.573 1.00 0.00 C ATOM 312 O ASP A 20 12.986 1.482 -8.437 1.00 0.00 O ATOM 313 CB ASP A 20 12.676 1.605 -5.203 1.00 0.00 C ATOM 314 CG ASP A 20 13.110 0.213 -4.726 1.00 0.00 C ATOM 315 OD1 ASP A 20 12.595 -0.763 -5.244 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.949 0.148 -3.841 1.00 0.00 O ATOM 0 H ASP A 20 10.614 0.244 -5.058 1.00 0.00 H new ATOM 0 HA ASP A 20 11.380 2.467 -6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.551 2.190 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.186 2.141 -4.390 1.00 0.00 H new ATOM 321 N ASP A 21 12.466 -0.487 -7.609 1.00 0.00 N ATOM 322 CA ASP A 21 13.151 -1.204 -8.719 1.00 0.00 C ATOM 323 C ASP A 21 12.144 -1.440 -9.848 1.00 0.00 C ATOM 324 O ASP A 21 12.420 -2.120 -10.820 1.00 0.00 O ATOM 325 CB ASP A 21 13.682 -2.545 -8.199 1.00 0.00 C ATOM 326 CG ASP A 21 14.801 -2.296 -7.183 1.00 0.00 C ATOM 327 OD1 ASP A 21 15.291 -1.179 -7.135 1.00 0.00 O ATOM 328 OD2 ASP A 21 15.146 -3.223 -6.470 1.00 0.00 O ATOM 0 H ASP A 21 12.032 -1.090 -6.911 1.00 0.00 H new ATOM 0 HA ASP A 21 13.986 -0.612 -9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.875 -3.112 -7.735 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.057 -3.145 -9.028 1.00 0.00 H new ATOM 333 N GLY A 22 10.970 -0.873 -9.720 1.00 0.00 N ATOM 334 CA GLY A 22 9.923 -1.048 -10.770 1.00 0.00 C ATOM 335 C GLY A 22 9.126 -2.324 -10.491 1.00 0.00 C ATOM 336 O GLY A 22 8.406 -2.820 -11.338 1.00 0.00 O ATOM 0 H GLY A 22 10.692 -0.293 -8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.256 -0.186 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.387 -1.105 -11.755 1.00 0.00 H new ATOM 340 N GLU A 23 9.250 -2.861 -9.305 1.00 0.00 N ATOM 341 CA GLU A 23 8.506 -4.108 -8.959 1.00 0.00 C ATOM 342 C GLU A 23 7.167 -3.747 -8.315 1.00 0.00 C ATOM 343 O GLU A 23 7.108 -3.100 -7.284 1.00 0.00 O ATOM 344 CB GLU A 23 9.342 -4.942 -7.989 1.00 0.00 C ATOM 345 CG GLU A 23 10.577 -5.472 -8.721 1.00 0.00 C ATOM 346 CD GLU A 23 11.462 -6.249 -7.747 1.00 0.00 C ATOM 347 OE1 GLU A 23 11.100 -6.329 -6.584 1.00 0.00 O ATOM 348 OE2 GLU A 23 12.487 -6.751 -8.178 1.00 0.00 O ATOM 0 H GLU A 23 9.837 -2.488 -8.559 1.00 0.00 H new ATOM 0 HA GLU A 23 8.320 -4.686 -9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.643 -4.336 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.751 -5.771 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.273 -6.118 -9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.137 -4.644 -9.155 1.00 0.00 H new ATOM 355 N SER A 24 6.090 -4.155 -8.931 1.00 0.00 N ATOM 356 CA SER A 24 4.743 -3.836 -8.387 1.00 0.00 C ATOM 357 C SER A 24 4.398 -4.764 -7.224 1.00 0.00 C ATOM 358 O SER A 24 4.865 -5.885 -7.140 1.00 0.00 O ATOM 359 CB SER A 24 3.707 -4.003 -9.496 1.00 0.00 C ATOM 360 OG SER A 24 3.645 -5.371 -9.879 1.00 0.00 O ATOM 0 H SER A 24 6.088 -4.699 -9.794 1.00 0.00 H new ATOM 0 HA SER A 24 4.742 -2.809 -8.022 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.730 -3.666 -9.150 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.973 -3.385 -10.354 1.00 0.00 H new ATOM 0 HG SER A 24 2.979 -5.482 -10.590 1.00 0.00 H new ATOM 366 N TYR A 25 3.569 -4.296 -6.325 1.00 0.00 N ATOM 367 CA TYR A 25 3.163 -5.127 -5.155 1.00 0.00 C ATOM 368 C TYR A 25 1.666 -4.941 -4.895 1.00 0.00 C ATOM 369 O TYR A 25 1.148 -3.840 -4.916 1.00 0.00 O ATOM 370 CB TYR A 25 3.964 -4.695 -3.929 1.00 0.00 C ATOM 371 CG TYR A 25 5.427 -4.972 -4.179 1.00 0.00 C ATOM 372 CD1 TYR A 25 5.932 -6.265 -4.008 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.278 -3.936 -4.586 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.286 -6.526 -4.243 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.634 -4.197 -4.821 1.00 0.00 C ATOM 376 CZ TYR A 25 8.138 -5.491 -4.650 1.00 0.00 C ATOM 377 OH TYR A 25 9.474 -5.749 -4.882 1.00 0.00 O ATOM 0 H TYR A 25 3.153 -3.365 -6.354 1.00 0.00 H new ATOM 0 HA TYR A 25 3.361 -6.179 -5.361 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.809 -3.634 -3.732 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.623 -5.236 -3.046 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.276 -7.063 -3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.889 -2.937 -4.718 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.674 -7.525 -4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.291 -3.399 -5.134 1.00 0.00 H new ATOM 0 HH TYR A 25 9.569 -6.262 -5.712 1.00 0.00 H new ATOM 387 N PHE A 26 0.972 -6.020 -4.657 1.00 0.00 N ATOM 388 CA PHE A 26 -0.493 -5.940 -4.400 1.00 0.00 C ATOM 389 C PHE A 26 -0.753 -5.494 -2.968 1.00 0.00 C ATOM 390 O PHE A 26 -0.033 -5.847 -2.053 1.00 0.00 O ATOM 391 CB PHE A 26 -1.118 -7.318 -4.626 1.00 0.00 C ATOM 392 CG PHE A 26 -1.225 -7.580 -6.106 1.00 0.00 C ATOM 393 CD1 PHE A 26 -2.290 -7.035 -6.831 1.00 0.00 C ATOM 394 CD2 PHE A 26 -0.263 -8.362 -6.755 1.00 0.00 C ATOM 395 CE1 PHE A 26 -2.395 -7.271 -8.205 1.00 0.00 C ATOM 396 CE2 PHE A 26 -0.367 -8.600 -8.130 1.00 0.00 C ATOM 397 CZ PHE A 26 -1.433 -8.055 -8.856 1.00 0.00 C ATOM 0 H PHE A 26 1.362 -6.962 -4.629 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.937 -5.214 -5.081 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.510 -8.088 -4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.105 -7.363 -4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.032 -6.431 -6.329 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.559 -8.782 -6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.217 -6.849 -8.764 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.375 -9.204 -8.631 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.514 -8.239 -9.917 1.00 0.00 H new ATOM 407 N LEU A 27 -1.790 -4.717 -2.769 1.00 0.00 N ATOM 408 CA LEU A 27 -2.123 -4.232 -1.400 1.00 0.00 C ATOM 409 C LEU A 27 -3.456 -4.847 -0.963 1.00 0.00 C ATOM 410 O LEU A 27 -4.483 -4.655 -1.589 1.00 0.00 O ATOM 411 CB LEU A 27 -2.237 -2.705 -1.428 1.00 0.00 C ATOM 412 CG LEU A 27 -2.099 -2.144 -0.006 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.045 -0.616 -0.061 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.286 -2.597 0.864 1.00 0.00 C ATOM 0 H LEU A 27 -2.422 -4.398 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.344 -4.524 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.463 -2.286 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.197 -2.411 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.178 -2.522 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.947 -0.219 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.189 -0.303 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.961 -0.236 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.175 -2.192 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.217 -2.234 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.308 -3.686 0.912 1.00 0.00 H new ATOM 426 N HIS A 28 -3.438 -5.587 0.117 1.00 0.00 N ATOM 427 CA HIS A 28 -4.684 -6.232 0.624 1.00 0.00 C ATOM 428 C HIS A 28 -4.772 -6.063 2.145 1.00 0.00 C ATOM 429 O HIS A 28 -3.845 -5.613 2.793 1.00 0.00 O ATOM 430 CB HIS A 28 -4.655 -7.722 0.284 1.00 0.00 C ATOM 431 CG HIS A 28 -5.961 -8.350 0.688 1.00 0.00 C ATOM 432 ND1 HIS A 28 -7.168 -7.959 0.133 1.00 0.00 N ATOM 433 CD2 HIS A 28 -6.264 -9.340 1.588 1.00 0.00 C ATOM 434 CE1 HIS A 28 -8.134 -8.703 0.699 1.00 0.00 C ATOM 435 NE2 HIS A 28 -7.638 -9.561 1.595 1.00 0.00 N ATOM 0 H HIS A 28 -2.604 -5.773 0.674 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.550 -5.762 0.157 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.487 -7.860 -0.784 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.829 -8.209 0.802 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -7.300 -7.238 -0.576 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.546 -9.867 2.198 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.183 -8.618 0.459 1.00 0.00 H new ATOM 443 N PHE A 29 -5.890 -6.430 2.712 1.00 0.00 N ATOM 444 CA PHE A 29 -6.085 -6.315 4.190 1.00 0.00 C ATOM 445 C PHE A 29 -5.054 -7.186 4.912 1.00 0.00 C ATOM 446 O PHE A 29 -4.527 -6.826 5.947 1.00 0.00 O ATOM 447 CB PHE A 29 -7.500 -6.816 4.537 1.00 0.00 C ATOM 448 CG PHE A 29 -8.498 -5.687 4.420 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.568 -4.938 3.240 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.346 -5.388 5.493 1.00 0.00 C ATOM 451 CE1 PHE A 29 -9.486 -3.887 3.134 1.00 0.00 C ATOM 452 CE2 PHE A 29 -10.263 -4.338 5.387 1.00 0.00 C ATOM 453 CZ PHE A 29 -10.333 -3.586 4.207 1.00 0.00 C ATOM 0 H PHE A 29 -6.690 -6.811 2.207 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.963 -5.278 4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.780 -7.629 3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.513 -7.219 5.550 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.914 -5.171 2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.292 -5.968 6.402 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.541 -3.308 2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.917 -4.107 6.215 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.040 -2.774 4.125 1.00 0.00 H new ATOM 463 N SER A 30 -4.794 -8.340 4.380 1.00 0.00 N ATOM 464 CA SER A 30 -3.828 -9.268 5.021 1.00 0.00 C ATOM 465 C SER A 30 -2.453 -8.603 5.126 1.00 0.00 C ATOM 466 O SER A 30 -1.618 -9.002 5.915 1.00 0.00 O ATOM 467 CB SER A 30 -3.724 -10.535 4.172 1.00 0.00 C ATOM 468 OG SER A 30 -3.281 -10.182 2.867 1.00 0.00 O ATOM 0 H SER A 30 -5.214 -8.686 3.517 1.00 0.00 H new ATOM 0 HA SER A 30 -4.173 -9.520 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.028 -11.238 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.692 -11.034 4.119 1.00 0.00 H new ATOM 0 HG SER A 30 -3.210 -10.989 2.316 1.00 0.00 H new ATOM 474 N GLU A 31 -2.207 -7.592 4.335 1.00 0.00 N ATOM 475 CA GLU A 31 -0.886 -6.904 4.385 1.00 0.00 C ATOM 476 C GLU A 31 -0.974 -5.700 5.328 1.00 0.00 C ATOM 477 O GLU A 31 0.022 -5.088 5.670 1.00 0.00 O ATOM 478 CB GLU A 31 -0.523 -6.427 2.976 1.00 0.00 C ATOM 479 CG GLU A 31 -0.303 -7.646 2.078 1.00 0.00 C ATOM 480 CD GLU A 31 0.037 -7.193 0.657 1.00 0.00 C ATOM 481 OE1 GLU A 31 0.102 -5.995 0.435 1.00 0.00 O ATOM 482 OE2 GLU A 31 0.227 -8.054 -0.186 1.00 0.00 O ATOM 0 H GLU A 31 -2.866 -7.213 3.655 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.123 -7.591 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.320 -5.802 2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.378 -5.814 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.505 -8.260 2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.199 -8.266 2.066 1.00 0.00 H new ATOM 489 N LEU A 32 -2.161 -5.355 5.762 1.00 0.00 N ATOM 490 CA LEU A 32 -2.316 -4.194 6.688 1.00 0.00 C ATOM 491 C LEU A 32 -2.333 -4.685 8.135 1.00 0.00 C ATOM 492 O LEU A 32 -3.132 -5.518 8.519 1.00 0.00 O ATOM 493 CB LEU A 32 -3.628 -3.457 6.371 1.00 0.00 C ATOM 494 CG LEU A 32 -3.429 -2.527 5.155 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.769 -2.302 4.447 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.877 -1.169 5.621 1.00 0.00 C ATOM 0 H LEU A 32 -3.030 -5.829 5.514 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.477 -3.511 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.419 -4.178 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.947 -2.875 7.236 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.724 -2.994 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.622 -1.645 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.166 -3.259 4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.474 -1.842 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.739 -0.517 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.581 -0.709 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.920 -1.317 6.121 1.00 0.00 H new ATOM 508 N LEU A 33 -1.448 -4.164 8.938 1.00 0.00 N ATOM 509 CA LEU A 33 -1.385 -4.573 10.367 1.00 0.00 C ATOM 510 C LEU A 33 -2.674 -4.159 11.071 1.00 0.00 C ATOM 511 O LEU A 33 -3.225 -4.895 11.867 1.00 0.00 O ATOM 512 CB LEU A 33 -0.196 -3.878 11.034 1.00 0.00 C ATOM 513 CG LEU A 33 1.115 -4.426 10.454 1.00 0.00 C ATOM 514 CD1 LEU A 33 2.293 -3.595 10.978 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.301 -5.906 10.845 1.00 0.00 C ATOM 0 H LEU A 33 -0.759 -3.465 8.661 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.266 -5.654 10.435 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.254 -2.802 10.873 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.225 -4.041 12.111 1.00 0.00 H new ATOM 0 HG LEU A 33 1.077 -4.358 9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.224 -3.984 10.566 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.168 -2.555 10.675 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.325 -3.654 12.066 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.236 -6.278 10.425 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.330 -5.995 11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.469 -6.493 10.455 1.00 0.00 H new ATOM 527 N ASP A 34 -3.157 -2.978 10.782 1.00 0.00 N ATOM 528 CA ASP A 34 -4.411 -2.486 11.423 1.00 0.00 C ATOM 529 C ASP A 34 -5.359 -1.969 10.343 1.00 0.00 C ATOM 530 O ASP A 34 -5.091 -0.987 9.678 1.00 0.00 O ATOM 531 CB ASP A 34 -4.080 -1.359 12.404 1.00 0.00 C ATOM 532 CG ASP A 34 -3.373 -1.943 13.629 1.00 0.00 C ATOM 533 OD1 ASP A 34 -3.426 -3.150 13.799 1.00 0.00 O ATOM 534 OD2 ASP A 34 -2.787 -1.175 14.374 1.00 0.00 O ATOM 0 H ASP A 34 -2.731 -2.328 10.122 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.888 -3.302 11.966 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.443 -0.618 11.922 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.993 -0.846 12.707 1.00 0.00 H new ATOM 539 N LYS A 35 -6.470 -2.628 10.169 1.00 0.00 N ATOM 540 CA LYS A 35 -7.455 -2.192 9.140 1.00 0.00 C ATOM 541 C LYS A 35 -7.716 -0.691 9.313 1.00 0.00 C ATOM 542 O LYS A 35 -8.053 0.011 8.378 1.00 0.00 O ATOM 543 CB LYS A 35 -8.756 -2.978 9.341 1.00 0.00 C ATOM 544 CG LYS A 35 -8.646 -4.359 8.683 1.00 0.00 C ATOM 545 CD LYS A 35 -7.575 -5.189 9.396 1.00 0.00 C ATOM 546 CE LYS A 35 -7.662 -6.644 8.932 1.00 0.00 C ATOM 547 NZ LYS A 35 -8.979 -7.214 9.334 1.00 0.00 N ATOM 0 H LYS A 35 -6.740 -3.456 10.699 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.071 -2.378 8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.962 -3.089 10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.593 -2.427 8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.607 -4.872 8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.393 -4.250 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.585 -4.786 9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.715 -5.132 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.544 -6.700 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.852 -7.226 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.895 -8.246 9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.273 -6.801 10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.689 -6.993 8.607 1.00 0.00 H new ATOM 561 N LYS A 36 -7.558 -0.202 10.510 1.00 0.00 N ATOM 562 CA LYS A 36 -7.782 1.246 10.777 1.00 0.00 C ATOM 563 C LYS A 36 -6.757 2.074 9.996 1.00 0.00 C ATOM 564 O LYS A 36 -7.052 3.142 9.498 1.00 0.00 O ATOM 565 CB LYS A 36 -7.612 1.510 12.276 1.00 0.00 C ATOM 566 CG LYS A 36 -8.742 0.824 13.049 1.00 0.00 C ATOM 567 CD LYS A 36 -8.555 1.060 14.550 1.00 0.00 C ATOM 568 CE LYS A 36 -9.687 0.377 15.322 1.00 0.00 C ATOM 569 NZ LYS A 36 -9.505 0.613 16.783 1.00 0.00 N ATOM 0 H LYS A 36 -7.280 -0.750 11.324 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.788 1.526 10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.646 1.135 12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.623 2.582 12.470 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.707 1.216 12.727 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.745 -0.245 12.836 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.591 0.666 14.873 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.550 2.129 14.762 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.651 0.768 14.997 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.690 -0.693 15.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.274 0.149 17.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.592 0.220 17.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.523 1.635 16.974 1.00 0.00 H new ATOM 583 N ASP A 37 -5.549 1.584 9.891 1.00 0.00 N ATOM 584 CA ASP A 37 -4.493 2.331 9.150 1.00 0.00 C ATOM 585 C ASP A 37 -4.854 2.367 7.664 1.00 0.00 C ATOM 586 O ASP A 37 -4.212 3.027 6.868 1.00 0.00 O ATOM 587 CB ASP A 37 -3.146 1.621 9.324 1.00 0.00 C ATOM 588 CG ASP A 37 -2.657 1.782 10.766 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.175 2.647 11.453 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.772 1.039 11.154 1.00 0.00 O ATOM 0 H ASP A 37 -5.249 0.694 10.289 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.422 3.347 9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.248 0.563 9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.413 2.038 8.633 1.00 0.00 H new ATOM 595 N GLU A 38 -5.881 1.658 7.289 1.00 0.00 N ATOM 596 CA GLU A 38 -6.301 1.640 5.860 1.00 0.00 C ATOM 597 C GLU A 38 -6.794 3.032 5.467 1.00 0.00 C ATOM 598 O GLU A 38 -6.632 3.472 4.343 1.00 0.00 O ATOM 599 CB GLU A 38 -7.437 0.629 5.682 1.00 0.00 C ATOM 600 CG GLU A 38 -7.764 0.465 4.192 1.00 0.00 C ATOM 601 CD GLU A 38 -8.597 1.655 3.698 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.150 2.357 4.530 1.00 0.00 O ATOM 603 OE2 GLU A 38 -8.669 1.841 2.496 1.00 0.00 O ATOM 0 H GLU A 38 -6.451 1.087 7.914 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.458 1.357 5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.149 -0.332 6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.322 0.965 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.842 0.393 3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.313 -0.463 4.033 1.00 0.00 H new ATOM 610 N GLY A 39 -7.398 3.727 6.391 1.00 0.00 N ATOM 611 CA GLY A 39 -7.909 5.094 6.093 1.00 0.00 C ATOM 612 C GLY A 39 -6.771 6.102 6.249 1.00 0.00 C ATOM 613 O GLY A 39 -6.902 7.266 5.922 1.00 0.00 O ATOM 0 H GLY A 39 -7.560 3.405 7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.309 5.133 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.727 5.344 6.768 1.00 0.00 H new ATOM 617 N LYS A 40 -5.648 5.660 6.747 1.00 0.00 N ATOM 618 CA LYS A 40 -4.485 6.577 6.931 1.00 0.00 C ATOM 619 C LYS A 40 -3.585 6.485 5.694 1.00 0.00 C ATOM 620 O LYS A 40 -2.558 7.131 5.603 1.00 0.00 O ATOM 621 CB LYS A 40 -3.700 6.147 8.176 1.00 0.00 C ATOM 622 CG LYS A 40 -4.406 6.647 9.442 1.00 0.00 C ATOM 623 CD LYS A 40 -5.869 6.202 9.424 1.00 0.00 C ATOM 624 CE LYS A 40 -6.477 6.371 10.817 1.00 0.00 C ATOM 625 NZ LYS A 40 -5.753 5.500 11.785 1.00 0.00 N ATOM 0 H LYS A 40 -5.485 4.696 7.037 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.829 7.603 7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.613 5.061 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.687 6.547 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.907 6.254 10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.347 7.734 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.429 6.791 8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.938 5.160 9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.412 7.413 11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.535 6.110 10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.439 4.931 12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.107 4.869 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.206 6.092 12.443 1.00 0.00 H new ATOM 639 N LEU A 41 -3.971 5.679 4.739 1.00 0.00 N ATOM 640 CA LEU A 41 -3.153 5.526 3.501 1.00 0.00 C ATOM 641 C LEU A 41 -3.212 6.814 2.687 1.00 0.00 C ATOM 642 O LEU A 41 -4.187 7.541 2.729 1.00 0.00 O ATOM 643 CB LEU A 41 -3.703 4.368 2.664 1.00 0.00 C ATOM 644 CG LEU A 41 -3.683 3.078 3.496 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.291 1.931 2.681 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.235 2.727 3.882 1.00 0.00 C ATOM 0 H LEU A 41 -4.822 5.118 4.765 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.119 5.317 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.721 4.590 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.104 4.241 1.762 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.268 3.228 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.276 1.016 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.320 2.177 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.710 1.784 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.228 1.811 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.643 2.581 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.808 3.540 4.469 1.00 0.00 H new ATOM 658 N VAL A 42 -2.165 7.106 1.947 1.00 0.00 N ATOM 659 CA VAL A 42 -2.140 8.357 1.129 1.00 0.00 C ATOM 660 C VAL A 42 -1.940 8.010 -0.346 1.00 0.00 C ATOM 661 O VAL A 42 -1.021 7.306 -0.722 1.00 0.00 O ATOM 662 CB VAL A 42 -1.004 9.265 1.610 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.316 8.487 1.673 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.862 10.447 0.648 1.00 0.00 C ATOM 0 H VAL A 42 -1.327 6.529 1.877 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.090 8.880 1.244 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.239 9.629 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.112 9.148 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.213 7.652 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.562 8.108 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.055 11.096 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.636 10.077 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.795 11.010 0.624 1.00 0.00 H new ATOM 674 N LYS A 43 -2.816 8.507 -1.179 1.00 0.00 N ATOM 675 CA LYS A 43 -2.733 8.231 -2.640 1.00 0.00 C ATOM 676 C LYS A 43 -1.941 9.329 -3.358 1.00 0.00 C ATOM 677 O LYS A 43 -2.091 10.506 -3.089 1.00 0.00 O ATOM 678 CB LYS A 43 -4.145 8.163 -3.223 1.00 0.00 C ATOM 679 CG LYS A 43 -4.066 7.814 -4.713 1.00 0.00 C ATOM 680 CD LYS A 43 -5.475 7.668 -5.291 1.00 0.00 C ATOM 681 CE LYS A 43 -5.374 7.305 -6.773 1.00 0.00 C ATOM 682 NZ LYS A 43 -6.739 7.127 -7.339 1.00 0.00 N ATOM 0 H LYS A 43 -3.597 9.102 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.220 7.280 -2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.733 7.413 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.652 9.119 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.523 8.592 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.510 6.886 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.024 6.896 -4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.030 8.598 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.845 8.089 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.797 6.388 -6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.667 6.880 -8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.229 6.364 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.275 8.012 -7.237 1.00 0.00 H new ATOM 696 N GLY A 44 -1.117 8.933 -4.294 1.00 0.00 N ATOM 697 CA GLY A 44 -0.316 9.920 -5.075 1.00 0.00 C ATOM 698 C GLY A 44 0.937 10.328 -4.301 1.00 0.00 C ATOM 699 O GLY A 44 1.472 11.404 -4.497 1.00 0.00 O ATOM 0 H GLY A 44 -0.964 7.958 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.033 9.488 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.922 10.801 -5.288 1.00 0.00 H new ATOM 703 N SER A 45 1.417 9.489 -3.417 1.00 0.00 N ATOM 704 CA SER A 45 2.639 9.855 -2.636 1.00 0.00 C ATOM 705 C SER A 45 3.493 8.618 -2.344 1.00 0.00 C ATOM 706 O SER A 45 3.339 7.568 -2.945 1.00 0.00 O ATOM 707 CB SER A 45 2.231 10.494 -1.312 1.00 0.00 C ATOM 708 OG SER A 45 1.188 11.429 -1.547 1.00 0.00 O ATOM 0 H SER A 45 1.020 8.574 -3.203 1.00 0.00 H new ATOM 0 HA SER A 45 3.223 10.558 -3.231 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.898 9.728 -0.612 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.086 10.992 -0.856 1.00 0.00 H new ATOM 0 HG SER A 45 1.030 11.954 -0.735 1.00 0.00 H new ATOM 714 N MET A 46 4.410 8.759 -1.420 1.00 0.00 N ATOM 715 CA MET A 46 5.314 7.633 -1.056 1.00 0.00 C ATOM 716 C MET A 46 4.665 6.746 0.005 1.00 0.00 C ATOM 717 O MET A 46 3.996 7.213 0.907 1.00 0.00 O ATOM 718 CB MET A 46 6.620 8.202 -0.502 1.00 0.00 C ATOM 719 CG MET A 46 7.371 8.918 -1.622 1.00 0.00 C ATOM 720 SD MET A 46 8.942 9.559 -0.987 1.00 0.00 S ATOM 721 CE MET A 46 8.267 10.884 0.048 1.00 0.00 C ATOM 0 H MET A 46 4.570 9.620 -0.897 1.00 0.00 H new ATOM 0 HA MET A 46 5.508 7.033 -1.945 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.412 8.895 0.313 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.234 7.401 -0.090 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.554 8.231 -2.448 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.766 9.735 -2.015 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.024 11.655 0.191 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.394 11.318 -0.440 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.976 10.477 1.016 1.00 0.00 H new ATOM 731 N VAL A 47 4.878 5.457 -0.097 1.00 0.00 N ATOM 732 CA VAL A 47 4.302 4.507 0.899 1.00 0.00 C ATOM 733 C VAL A 47 5.373 3.502 1.315 1.00 0.00 C ATOM 734 O VAL A 47 6.110 2.982 0.498 1.00 0.00 O ATOM 735 CB VAL A 47 3.109 3.773 0.287 1.00 0.00 C ATOM 736 CG1 VAL A 47 1.904 4.714 0.256 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.448 3.327 -1.139 1.00 0.00 C ATOM 0 H VAL A 47 5.431 5.021 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 47 3.964 5.060 1.775 1.00 0.00 H new ATOM 0 HB VAL A 47 2.876 2.894 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.049 4.196 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.660 5.026 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.142 5.591 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.594 2.805 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.683 4.200 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.308 2.658 -1.116 1.00 0.00 H new ATOM 747 N HIS A 48 5.470 3.233 2.591 1.00 0.00 N ATOM 748 CA HIS A 48 6.497 2.272 3.082 1.00 0.00 C ATOM 749 C HIS A 48 5.884 0.881 3.214 1.00 0.00 C ATOM 750 O HIS A 48 4.870 0.689 3.861 1.00 0.00 O ATOM 751 CB HIS A 48 7.011 2.732 4.445 1.00 0.00 C ATOM 752 CG HIS A 48 7.847 3.966 4.266 1.00 0.00 C ATOM 753 ND1 HIS A 48 8.745 4.398 5.227 1.00 0.00 N ATOM 754 CD2 HIS A 48 7.935 4.871 3.237 1.00 0.00 C ATOM 755 CE1 HIS A 48 9.329 5.517 4.760 1.00 0.00 C ATOM 756 NE2 HIS A 48 8.871 5.849 3.551 1.00 0.00 N ATOM 0 H HIS A 48 4.879 3.640 3.316 1.00 0.00 H new ATOM 0 HA HIS A 48 7.323 2.234 2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.174 2.939 5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.601 1.942 4.910 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.363 4.829 2.322 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.078 6.079 5.299 1.00 0.00 H new ATOM 0 HE2 HIS A 48 9.148 6.648 2.981 1.00 0.00 H new ATOM 764 N PHE A 49 6.503 -0.093 2.611 1.00 0.00 N ATOM 765 CA PHE A 49 5.984 -1.484 2.697 1.00 0.00 C ATOM 766 C PHE A 49 7.158 -2.450 2.600 1.00 0.00 C ATOM 767 O PHE A 49 8.156 -2.166 1.963 1.00 0.00 O ATOM 768 CB PHE A 49 5.004 -1.746 1.552 1.00 0.00 C ATOM 769 CG PHE A 49 5.705 -1.613 0.221 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.320 -2.729 -0.365 1.00 0.00 C ATOM 771 CD2 PHE A 49 5.733 -0.377 -0.435 1.00 0.00 C ATOM 772 CE1 PHE A 49 6.962 -2.604 -1.605 1.00 0.00 C ATOM 773 CE2 PHE A 49 6.373 -0.253 -1.674 1.00 0.00 C ATOM 774 CZ PHE A 49 6.987 -1.366 -2.259 1.00 0.00 C ATOM 0 H PHE A 49 7.353 0.016 2.058 1.00 0.00 H new ATOM 0 HA PHE A 49 5.463 -1.625 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.580 -2.745 1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.174 -1.041 1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.299 -3.684 0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.260 0.483 0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.437 -3.463 -2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.393 0.702 -2.178 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.480 -1.270 -3.215 1.00 0.00 H new ATOM 784 N ASP A 50 7.055 -3.593 3.232 1.00 0.00 N ATOM 785 CA ASP A 50 8.172 -4.582 3.183 1.00 0.00 C ATOM 786 C ASP A 50 7.860 -5.645 2.120 1.00 0.00 C ATOM 787 O ASP A 50 6.713 -5.941 1.856 1.00 0.00 O ATOM 788 CB ASP A 50 8.317 -5.256 4.555 1.00 0.00 C ATOM 789 CG ASP A 50 9.115 -4.347 5.494 1.00 0.00 C ATOM 790 OD1 ASP A 50 8.873 -3.153 5.477 1.00 0.00 O ATOM 791 OD2 ASP A 50 9.956 -4.864 6.213 1.00 0.00 O ATOM 0 H ASP A 50 6.245 -3.883 3.780 1.00 0.00 H new ATOM 0 HA ASP A 50 9.102 -4.073 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.333 -5.458 4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.821 -6.217 4.448 1.00 0.00 H new ATOM 796 N PRO A 51 8.873 -6.216 1.516 1.00 0.00 N ATOM 797 CA PRO A 51 8.697 -7.260 0.467 1.00 0.00 C ATOM 798 C PRO A 51 8.202 -8.583 1.042 1.00 0.00 C ATOM 799 O PRO A 51 7.996 -8.724 2.232 1.00 0.00 O ATOM 800 CB PRO A 51 10.103 -7.422 -0.128 1.00 0.00 C ATOM 801 CG PRO A 51 11.035 -7.006 0.963 1.00 0.00 C ATOM 802 CD PRO A 51 10.298 -5.931 1.763 1.00 0.00 C ATOM 0 HA PRO A 51 7.945 -6.971 -0.268 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.286 -8.452 -0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.230 -6.800 -1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.296 -7.853 1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.967 -6.616 0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.538 -5.989 2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.568 -4.929 1.429 1.00 0.00 H new ATOM 810 N THR A 52 8.016 -9.557 0.190 1.00 0.00 N ATOM 811 CA THR A 52 7.541 -10.884 0.662 1.00 0.00 C ATOM 812 C THR A 52 8.270 -11.993 -0.111 1.00 0.00 C ATOM 813 O THR A 52 8.652 -11.806 -1.248 1.00 0.00 O ATOM 814 CB THR A 52 6.037 -11.003 0.417 1.00 0.00 C ATOM 815 OG1 THR A 52 5.732 -10.546 -0.892 1.00 0.00 O ATOM 816 CG2 THR A 52 5.295 -10.155 1.447 1.00 0.00 C ATOM 0 H THR A 52 8.174 -9.487 -0.815 1.00 0.00 H new ATOM 0 HA THR A 52 7.747 -10.985 1.728 1.00 0.00 H new ATOM 0 HB THR A 52 5.728 -12.044 0.512 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.789 -9.568 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.221 -10.235 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.532 -10.510 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.601 -9.113 1.349 1.00 0.00 H new ATOM 895 N LEU A 58 4.604 -11.020 -6.696 1.00 0.00 N ATOM 896 CA LEU A 58 5.034 -9.832 -5.896 1.00 0.00 C ATOM 897 C LEU A 58 3.931 -9.434 -4.914 1.00 0.00 C ATOM 898 O LEU A 58 2.783 -9.260 -5.273 1.00 0.00 O ATOM 899 CB LEU A 58 5.356 -8.649 -6.817 1.00 0.00 C ATOM 900 CG LEU A 58 6.370 -9.082 -7.882 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.637 -7.912 -8.832 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.687 -9.502 -7.211 1.00 0.00 C ATOM 0 HA LEU A 58 5.933 -10.099 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.445 -8.289 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.759 -7.821 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 58 5.966 -9.927 -8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.358 -8.217 -9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.706 -7.615 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.038 -7.070 -8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.403 -9.808 -7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.093 -8.661 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.501 -10.335 -6.533 1.00 0.00 H new ATOM 914 N ALA A 59 4.280 -9.292 -3.660 1.00 0.00 N ATOM 915 CA ALA A 59 3.264 -8.911 -2.637 1.00 0.00 C ATOM 916 C ALA A 59 3.912 -8.040 -1.560 1.00 0.00 C ATOM 917 O ALA A 59 5.055 -8.228 -1.183 1.00 0.00 O ATOM 918 CB ALA A 59 2.690 -10.170 -1.989 1.00 0.00 C ATOM 0 H ALA A 59 5.226 -9.424 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 59 2.464 -8.352 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.948 -9.889 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.220 -10.790 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.493 -10.731 -1.510 1.00 0.00 H new ATOM 924 N ALA A 60 3.176 -7.079 -1.068 1.00 0.00 N ATOM 925 CA ALA A 60 3.710 -6.165 -0.018 1.00 0.00 C ATOM 926 C ALA A 60 3.394 -6.722 1.371 1.00 0.00 C ATOM 927 O ALA A 60 2.596 -7.625 1.532 1.00 0.00 O ATOM 928 CB ALA A 60 3.051 -4.791 -0.177 1.00 0.00 C ATOM 0 H ALA A 60 2.216 -6.887 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 60 4.791 -6.078 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.434 -4.113 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.278 -4.391 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.971 -4.890 -0.065 1.00 0.00 H new ATOM 934 N LYS A 61 4.020 -6.171 2.380 1.00 0.00 N ATOM 935 CA LYS A 61 3.769 -6.640 3.769 1.00 0.00 C ATOM 936 C LYS A 61 3.953 -5.482 4.756 1.00 0.00 C ATOM 937 O LYS A 61 4.822 -4.642 4.605 1.00 0.00 O ATOM 938 CB LYS A 61 4.741 -7.769 4.112 1.00 0.00 C ATOM 939 CG LYS A 61 4.447 -8.292 5.522 1.00 0.00 C ATOM 940 CD LYS A 61 5.366 -9.475 5.833 1.00 0.00 C ATOM 941 CE LYS A 61 5.060 -10.007 7.235 1.00 0.00 C ATOM 942 NZ LYS A 61 5.948 -11.168 7.531 1.00 0.00 N ATOM 0 H LYS A 61 4.697 -5.413 2.297 1.00 0.00 H new ATOM 0 HA LYS A 61 2.746 -7.008 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.646 -8.577 3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.768 -7.408 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.599 -7.499 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.404 -8.599 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.223 -10.264 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.409 -9.165 5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.212 -9.221 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.015 -10.309 7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.740 -11.530 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.782 -11.919 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.942 -10.866 7.485 1.00 0.00 H new ATOM 956 N ALA A 62 3.129 -5.450 5.769 1.00 0.00 N ATOM 957 CA ALA A 62 3.208 -4.377 6.801 1.00 0.00 C ATOM 958 C ALA A 62 3.212 -2.995 6.141 1.00 0.00 C ATOM 959 O ALA A 62 4.222 -2.322 6.068 1.00 0.00 O ATOM 960 CB ALA A 62 4.469 -4.560 7.653 1.00 0.00 C ATOM 0 H ALA A 62 2.391 -6.136 5.927 1.00 0.00 H new ATOM 0 HA ALA A 62 2.331 -4.449 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.518 -3.772 8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.436 -5.531 8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.351 -4.508 7.014 1.00 0.00 H new ATOM 966 N ILE A 63 2.071 -2.569 5.667 1.00 0.00 N ATOM 967 CA ILE A 63 1.976 -1.236 5.015 1.00 0.00 C ATOM 968 C ILE A 63 2.144 -0.148 6.069 1.00 0.00 C ATOM 969 O ILE A 63 1.546 -0.196 7.129 1.00 0.00 O ATOM 970 CB ILE A 63 0.604 -1.093 4.351 1.00 0.00 C ATOM 971 CG1 ILE A 63 0.285 -2.368 3.563 1.00 0.00 C ATOM 972 CG2 ILE A 63 0.610 0.110 3.404 1.00 0.00 C ATOM 973 CD1 ILE A 63 1.455 -2.718 2.641 1.00 0.00 C ATOM 0 H ILE A 63 1.197 -3.093 5.705 1.00 0.00 H new ATOM 0 HA ILE A 63 2.758 -1.139 4.261 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.155 -0.940 5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.093 -3.192 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.622 -2.225 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.368 0.208 2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.834 1.016 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.369 -0.036 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.221 -3.625 2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.626 -1.898 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.353 -2.880 3.238 1.00 0.00 H new ATOM 985 N SER A 64 2.960 0.838 5.792 1.00 0.00 N ATOM 986 CA SER A 64 3.176 1.932 6.783 1.00 0.00 C ATOM 987 C SER A 64 3.206 3.279 6.075 1.00 0.00 C ATOM 988 O SER A 64 3.771 3.435 5.008 1.00 0.00 O ATOM 989 CB SER A 64 4.497 1.708 7.512 1.00 0.00 C ATOM 990 OG SER A 64 4.773 2.834 8.333 1.00 0.00 O ATOM 0 H SER A 64 3.485 0.931 4.922 1.00 0.00 H new ATOM 0 HA SER A 64 2.357 1.927 7.503 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.443 0.804 8.119 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.303 1.561 6.793 1.00 0.00 H new ATOM 0 HG SER A 64 5.620 2.695 8.805 1.00 0.00 H new ATOM 996 N LEU A 65 2.584 4.254 6.675 1.00 0.00 N ATOM 997 CA LEU A 65 2.535 5.609 6.070 1.00 0.00 C ATOM 998 C LEU A 65 3.750 6.427 6.556 1.00 0.00 C ATOM 999 O LEU A 65 3.972 6.543 7.744 1.00 0.00 O ATOM 1000 CB LEU A 65 1.241 6.309 6.519 1.00 0.00 C ATOM 1001 CG LEU A 65 0.916 5.935 7.984 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.198 7.104 8.670 1.00 0.00 C ATOM 1003 CD2 LEU A 65 0.008 4.691 8.020 1.00 0.00 C ATOM 0 H LEU A 65 2.102 4.166 7.570 1.00 0.00 H new ATOM 0 HA LEU A 65 2.557 5.531 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.352 7.389 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.416 6.017 5.869 1.00 0.00 H new ATOM 0 HG LEU A 65 1.847 5.719 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.029 6.836 9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.841 7.984 8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.729 7.323 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.216 4.434 9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.920 4.903 7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.517 3.855 7.541 1.00 0.00 H new ATOM 1015 N PRO A 66 4.521 7.002 5.664 1.00 0.00 N ATOM 1016 CA PRO A 66 5.704 7.822 6.053 1.00 0.00 C ATOM 1017 C PRO A 66 5.265 9.172 6.631 1.00 0.00 C ATOM 1018 O PRO A 66 6.056 9.923 7.172 1.00 0.00 O ATOM 1019 CB PRO A 66 6.478 7.996 4.736 1.00 0.00 C ATOM 1020 CG PRO A 66 5.458 7.840 3.645 1.00 0.00 C ATOM 1021 CD PRO A 66 4.353 6.938 4.202 1.00 0.00 C ATOM 0 HA PRO A 66 6.309 7.356 6.830 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.956 8.974 4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.268 7.250 4.644 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.055 8.809 3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.907 7.398 2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.366 7.289 3.901 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.454 5.916 3.836 1.00 0.00 H new