USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=14 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 Single : A 2 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0256) USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= -1.14 (180deg=-1.96) USER MOD Single : A 7 SER OG : rot 180:sc= -0.223 USER MOD Single : A 8 TYR OH : rot -179:sc= 1.22 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= -0.0307 (180deg=-0.403) USER MOD Single : A 14 TYR OH : rot 39:sc= 1.21 USER MOD Single : A 18 GLN : amide:sc= -1.49 X(o=-1.5,f=-1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.643 K(o=-0.64,f=-7.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.987 (180deg=-1.36) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -150:sc= -0.444 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.894 K(o=-0.89,f=-0.11) USER MOD Single : A 52 THR OG1 : rot 108:sc= 0.608 USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0294) USER MOD Single : A 64 SER OG : rot 180:sc= -0.516 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 11.536 0.941 -0.450 1.00 0.00 N ATOM 21 CA LYS A 2 10.182 1.563 -0.442 1.00 0.00 C ATOM 22 C LYS A 2 9.634 1.648 -1.863 1.00 0.00 C ATOM 23 O LYS A 2 10.116 1.004 -2.774 1.00 0.00 O ATOM 24 CB LYS A 2 10.261 2.975 0.143 1.00 0.00 C ATOM 25 CG LYS A 2 11.233 3.823 -0.682 1.00 0.00 C ATOM 26 CD LYS A 2 11.385 5.204 -0.037 1.00 0.00 C ATOM 27 CE LYS A 2 12.396 6.033 -0.835 1.00 0.00 C ATOM 28 NZ LYS A 2 11.756 6.527 -2.087 1.00 0.00 N ATOM 0 HA LYS A 2 9.521 0.947 0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.273 3.435 0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.592 2.931 1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.203 3.329 -0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.865 3.926 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.421 5.713 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.718 5.100 0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.746 6.874 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.270 5.427 -1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.407 7.172 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.535 5.721 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.879 7.034 -1.852 1.00 0.00 H new ATOM 42 N GLY A 3 8.618 2.443 -2.049 1.00 0.00 N ATOM 43 CA GLY A 3 8.007 2.590 -3.399 1.00 0.00 C ATOM 44 C GLY A 3 6.899 3.639 -3.361 1.00 0.00 C ATOM 45 O GLY A 3 6.753 4.379 -2.407 1.00 0.00 O ATOM 0 H GLY A 3 8.181 3.002 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.769 2.881 -4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.602 1.634 -3.730 1.00 0.00 H new ATOM 49 N LYS A 4 6.118 3.703 -4.406 1.00 0.00 N ATOM 50 CA LYS A 4 5.002 4.695 -4.482 1.00 0.00 C ATOM 51 C LYS A 4 3.716 3.994 -4.893 1.00 0.00 C ATOM 52 O LYS A 4 3.686 3.211 -5.822 1.00 0.00 O ATOM 53 CB LYS A 4 5.344 5.766 -5.519 1.00 0.00 C ATOM 54 CG LYS A 4 4.388 6.948 -5.357 1.00 0.00 C ATOM 55 CD LYS A 4 4.778 8.057 -6.336 1.00 0.00 C ATOM 56 CE LYS A 4 3.823 9.245 -6.183 1.00 0.00 C ATOM 57 NZ LYS A 4 4.210 10.043 -4.987 1.00 0.00 N ATOM 0 H LYS A 4 6.206 3.101 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 4 4.866 5.157 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.375 6.097 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.264 5.354 -6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.363 6.628 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.425 7.322 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.803 8.376 -6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.744 7.681 -7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.856 9.869 -7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.798 8.890 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.415 10.650 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.453 9.401 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.033 10.636 -5.217 1.00 0.00 H new ATOM 71 N VAL A 5 2.648 4.286 -4.207 1.00 0.00 N ATOM 72 CA VAL A 5 1.343 3.656 -4.543 1.00 0.00 C ATOM 73 C VAL A 5 0.735 4.377 -5.741 1.00 0.00 C ATOM 74 O VAL A 5 0.346 5.524 -5.666 1.00 0.00 O ATOM 75 CB VAL A 5 0.406 3.741 -3.330 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.202 5.207 -2.915 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.944 3.116 -3.687 1.00 0.00 C ATOM 0 H VAL A 5 2.623 4.938 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 5 1.488 2.606 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 5 0.854 3.199 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.465 5.252 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.164 5.648 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.238 5.762 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.611 3.175 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.384 3.655 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.800 2.071 -3.963 1.00 0.00 H new ATOM 87 N VAL A 6 0.663 3.703 -6.852 1.00 0.00 N ATOM 88 CA VAL A 6 0.090 4.317 -8.080 1.00 0.00 C ATOM 89 C VAL A 6 -1.429 4.417 -7.945 1.00 0.00 C ATOM 90 O VAL A 6 -2.043 5.335 -8.450 1.00 0.00 O ATOM 91 CB VAL A 6 0.458 3.465 -9.300 1.00 0.00 C ATOM 92 CG1 VAL A 6 -0.002 2.017 -9.099 1.00 0.00 C ATOM 93 CG2 VAL A 6 -0.224 4.045 -10.540 1.00 0.00 C ATOM 0 H VAL A 6 0.981 2.740 -6.963 1.00 0.00 H new ATOM 0 HA VAL A 6 0.499 5.319 -8.211 1.00 0.00 H new ATOM 0 HB VAL A 6 1.540 3.476 -9.428 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.267 1.425 -9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.483 1.600 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.083 1.994 -8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.034 3.444 -11.412 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.305 4.035 -10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.112 5.070 -10.694 1.00 0.00 H new ATOM 103 N SER A 7 -2.039 3.476 -7.276 1.00 0.00 N ATOM 104 CA SER A 7 -3.520 3.520 -7.116 1.00 0.00 C ATOM 105 C SER A 7 -3.966 2.625 -5.962 1.00 0.00 C ATOM 106 O SER A 7 -3.320 1.658 -5.610 1.00 0.00 O ATOM 107 CB SER A 7 -4.190 3.049 -8.405 1.00 0.00 C ATOM 108 OG SER A 7 -5.597 3.025 -8.215 1.00 0.00 O ATOM 0 H SER A 7 -1.577 2.681 -6.835 1.00 0.00 H new ATOM 0 HA SER A 7 -3.812 4.547 -6.898 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.933 3.716 -9.228 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.830 2.056 -8.675 1.00 0.00 H new ATOM 0 HG SER A 7 -6.033 2.725 -9.040 1.00 0.00 H new ATOM 114 N TYR A 8 -5.086 2.952 -5.385 1.00 0.00 N ATOM 115 CA TYR A 8 -5.639 2.154 -4.254 1.00 0.00 C ATOM 116 C TYR A 8 -7.154 2.315 -4.228 1.00 0.00 C ATOM 117 O TYR A 8 -7.679 3.316 -3.785 1.00 0.00 O ATOM 118 CB TYR A 8 -5.038 2.636 -2.933 1.00 0.00 C ATOM 119 CG TYR A 8 -5.737 1.943 -1.782 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.578 0.564 -1.595 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.548 2.677 -0.906 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.226 -0.079 -0.535 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.196 2.033 0.155 1.00 0.00 C ATOM 124 CZ TYR A 8 -7.036 0.656 0.341 1.00 0.00 C ATOM 125 OH TYR A 8 -7.675 0.020 1.386 1.00 0.00 O ATOM 0 H TYR A 8 -5.654 3.755 -5.654 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.386 1.102 -4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.970 2.422 -2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.148 3.717 -2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.954 -0.004 -2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.673 3.740 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.102 -1.142 -0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.820 2.600 0.830 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.208 0.671 1.888 1.00 0.00 H new ATOM 135 N LEU A 9 -7.859 1.327 -4.706 1.00 0.00 N ATOM 136 CA LEU A 9 -9.350 1.392 -4.730 1.00 0.00 C ATOM 137 C LEU A 9 -9.909 0.673 -3.513 1.00 0.00 C ATOM 138 O LEU A 9 -9.814 -0.528 -3.375 1.00 0.00 O ATOM 139 CB LEU A 9 -9.864 0.741 -6.024 1.00 0.00 C ATOM 140 CG LEU A 9 -9.739 1.744 -7.185 1.00 0.00 C ATOM 141 CD1 LEU A 9 -10.726 2.918 -6.981 1.00 0.00 C ATOM 142 CD2 LEU A 9 -8.301 2.283 -7.245 1.00 0.00 C ATOM 0 H LEU A 9 -7.462 0.467 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.678 2.431 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.291 -0.160 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.903 0.436 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.978 1.238 -8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.630 3.622 -7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.746 2.534 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.499 3.426 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.213 2.993 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.060 2.782 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.609 1.456 -7.404 1.00 0.00 H new ATOM 154 N ALA A 10 -10.495 1.430 -2.631 1.00 0.00 N ATOM 155 CA ALA A 10 -11.085 0.861 -1.391 1.00 0.00 C ATOM 156 C ALA A 10 -12.300 0.004 -1.747 1.00 0.00 C ATOM 157 O ALA A 10 -12.560 -1.006 -1.124 1.00 0.00 O ATOM 158 CB ALA A 10 -11.521 2.006 -0.469 1.00 0.00 C ATOM 0 H ALA A 10 -10.592 2.441 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.344 0.243 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.955 1.594 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.656 2.618 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.263 2.621 -0.978 1.00 0.00 H new ATOM 164 N ALA A 11 -13.049 0.409 -2.737 1.00 0.00 N ATOM 165 CA ALA A 11 -14.258 -0.367 -3.137 1.00 0.00 C ATOM 166 C ALA A 11 -13.828 -1.769 -3.566 1.00 0.00 C ATOM 167 O ALA A 11 -14.490 -2.746 -3.278 1.00 0.00 O ATOM 168 CB ALA A 11 -14.947 0.335 -4.313 1.00 0.00 C ATOM 0 H ALA A 11 -12.874 1.249 -3.289 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.950 -0.432 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.831 -0.231 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.243 1.341 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.258 0.395 -5.155 1.00 0.00 H new ATOM 174 N LYS A 12 -12.717 -1.867 -4.243 1.00 0.00 N ATOM 175 CA LYS A 12 -12.209 -3.200 -4.695 1.00 0.00 C ATOM 176 C LYS A 12 -11.220 -3.726 -3.648 1.00 0.00 C ATOM 177 O LYS A 12 -10.620 -4.771 -3.809 1.00 0.00 O ATOM 178 CB LYS A 12 -11.503 -3.048 -6.048 1.00 0.00 C ATOM 179 CG LYS A 12 -12.530 -2.676 -7.122 1.00 0.00 C ATOM 180 CD LYS A 12 -11.864 -2.695 -8.505 1.00 0.00 C ATOM 181 CE LYS A 12 -10.886 -1.522 -8.632 1.00 0.00 C ATOM 182 NZ LYS A 12 -10.557 -1.299 -10.067 1.00 0.00 N ATOM 0 H LYS A 12 -12.132 -1.074 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.037 -3.900 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.733 -2.279 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.002 -3.979 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.364 -3.378 -7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.940 -1.687 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.336 -3.637 -8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.623 -2.632 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.326 -0.621 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.977 -1.731 -8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.893 -0.503 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.120 -2.157 -10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.427 -1.081 -10.593 1.00 0.00 H new ATOM 196 N LYS A 13 -11.060 -2.986 -2.579 1.00 0.00 N ATOM 197 CA LYS A 13 -10.129 -3.378 -1.476 1.00 0.00 C ATOM 198 C LYS A 13 -8.779 -3.810 -2.049 1.00 0.00 C ATOM 199 O LYS A 13 -7.971 -4.412 -1.371 1.00 0.00 O ATOM 200 CB LYS A 13 -10.744 -4.512 -0.642 1.00 0.00 C ATOM 201 CG LYS A 13 -11.927 -3.968 0.175 1.00 0.00 C ATOM 202 CD LYS A 13 -12.525 -5.097 1.021 1.00 0.00 C ATOM 203 CE LYS A 13 -13.643 -4.540 1.907 1.00 0.00 C ATOM 204 NZ LYS A 13 -14.737 -4.003 1.050 1.00 0.00 N ATOM 0 H LYS A 13 -11.548 -2.104 -2.421 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.970 -2.515 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.080 -5.317 -1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.993 -4.935 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.594 -3.154 0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.685 -3.558 -0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.917 -5.881 0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.750 -5.551 1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.029 -5.324 2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.252 -3.753 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.606 -3.909 1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.462 -3.071 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.908 -4.654 0.257 1.00 0.00 H new ATOM 218 N TYR A 14 -8.522 -3.488 -3.288 1.00 0.00 N ATOM 219 CA TYR A 14 -7.215 -3.859 -3.914 1.00 0.00 C ATOM 220 C TYR A 14 -6.773 -2.762 -4.886 1.00 0.00 C ATOM 221 O TYR A 14 -7.558 -1.961 -5.353 1.00 0.00 O ATOM 222 CB TYR A 14 -7.363 -5.194 -4.656 1.00 0.00 C ATOM 223 CG TYR A 14 -6.164 -5.429 -5.555 1.00 0.00 C ATOM 224 CD1 TYR A 14 -4.891 -5.599 -4.994 1.00 0.00 C ATOM 225 CD2 TYR A 14 -6.325 -5.476 -6.946 1.00 0.00 C ATOM 226 CE1 TYR A 14 -3.784 -5.817 -5.823 1.00 0.00 C ATOM 227 CE2 TYR A 14 -5.217 -5.695 -7.774 1.00 0.00 C ATOM 228 CZ TYR A 14 -3.947 -5.866 -7.212 1.00 0.00 C ATOM 229 OH TYR A 14 -2.855 -6.083 -8.029 1.00 0.00 O ATOM 0 H TYR A 14 -9.163 -2.981 -3.899 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.458 -3.964 -3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.454 -6.009 -3.938 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.277 -5.189 -5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.764 -5.562 -3.922 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.305 -5.343 -7.380 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.803 -5.947 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.343 -5.732 -8.846 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.260 -6.741 -7.612 1.00 0.00 H new ATOM 239 N GLY A 15 -5.502 -2.732 -5.181 1.00 0.00 N ATOM 240 CA GLY A 15 -4.956 -1.704 -6.111 1.00 0.00 C ATOM 241 C GLY A 15 -3.592 -2.147 -6.638 1.00 0.00 C ATOM 242 O GLY A 15 -3.296 -3.322 -6.734 1.00 0.00 O ATOM 0 H GLY A 15 -4.810 -3.385 -4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.644 -1.552 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.863 -0.748 -5.595 1.00 0.00 H new ATOM 246 N PHE A 16 -2.763 -1.201 -6.984 1.00 0.00 N ATOM 247 CA PHE A 16 -1.405 -1.521 -7.520 1.00 0.00 C ATOM 248 C PHE A 16 -0.370 -0.566 -6.933 1.00 0.00 C ATOM 249 O PHE A 16 -0.672 0.548 -6.552 1.00 0.00 O ATOM 250 CB PHE A 16 -1.406 -1.374 -9.044 1.00 0.00 C ATOM 251 CG PHE A 16 -2.286 -2.436 -9.660 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.757 -3.700 -9.952 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.627 -2.155 -9.946 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.570 -4.681 -10.531 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.440 -3.137 -10.525 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.911 -4.399 -10.817 1.00 0.00 C ATOM 0 H PHE A 16 -2.970 -0.204 -6.918 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.152 -2.545 -7.244 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.766 -0.384 -9.323 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.390 -1.463 -9.428 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.723 -3.917 -9.730 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.035 -1.181 -9.720 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.163 -5.655 -10.757 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.475 -2.920 -10.746 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.538 -5.156 -11.264 1.00 0.00 H new ATOM 266 N ILE A 17 0.856 -1.007 -6.872 1.00 0.00 N ATOM 267 CA ILE A 17 1.959 -0.160 -6.324 1.00 0.00 C ATOM 268 C ILE A 17 3.174 -0.250 -7.239 1.00 0.00 C ATOM 269 O ILE A 17 3.407 -1.249 -7.885 1.00 0.00 O ATOM 270 CB ILE A 17 2.348 -0.644 -4.927 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.171 -0.443 -3.966 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.554 0.159 -4.433 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.455 -1.160 -2.643 1.00 0.00 C ATOM 0 H ILE A 17 1.147 -1.934 -7.183 1.00 0.00 H new ATOM 0 HA ILE A 17 1.615 0.873 -6.266 1.00 0.00 H new ATOM 0 HB ILE A 17 2.603 -1.703 -4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.013 0.621 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.255 -0.831 -4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.835 -0.183 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.391 0.015 -5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.295 1.217 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.616 -1.014 -1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.591 -2.225 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.360 -0.751 -2.195 1.00 0.00 H new ATOM 285 N GLN A 18 3.949 0.800 -7.288 1.00 0.00 N ATOM 286 CA GLN A 18 5.169 0.822 -8.153 1.00 0.00 C ATOM 287 C GLN A 18 6.418 0.854 -7.273 1.00 0.00 C ATOM 288 O GLN A 18 6.656 1.788 -6.533 1.00 0.00 O ATOM 289 CB GLN A 18 5.139 2.061 -9.045 1.00 0.00 C ATOM 290 CG GLN A 18 6.259 1.960 -10.084 1.00 0.00 C ATOM 291 CD GLN A 18 5.935 0.843 -11.079 1.00 0.00 C ATOM 292 OE1 GLN A 18 4.797 0.677 -11.475 1.00 0.00 O ATOM 293 NE2 GLN A 18 6.891 0.065 -11.501 1.00 0.00 N ATOM 0 H GLN A 18 3.788 1.657 -6.758 1.00 0.00 H new ATOM 0 HA GLN A 18 5.189 -0.072 -8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.172 2.143 -9.542 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.265 2.961 -8.443 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.368 2.909 -10.609 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.210 1.757 -9.591 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.845 0.204 -11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.685 -0.683 -12.163 1.00 0.00 H new ATOM 302 N GLY A 19 7.209 -0.176 -7.361 1.00 0.00 N ATOM 303 CA GLY A 19 8.456 -0.264 -6.550 1.00 0.00 C ATOM 304 C GLY A 19 9.558 0.590 -7.170 1.00 0.00 C ATOM 305 O GLY A 19 9.516 0.944 -8.331 1.00 0.00 O ATOM 0 H GLY A 19 7.042 -0.976 -7.972 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.259 0.070 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.784 -1.302 -6.487 1.00 0.00 H new ATOM 309 N ASP A 20 10.549 0.910 -6.388 1.00 0.00 N ATOM 310 CA ASP A 20 11.684 1.735 -6.884 1.00 0.00 C ATOM 311 C ASP A 20 12.444 0.960 -7.961 1.00 0.00 C ATOM 312 O ASP A 20 12.932 1.528 -8.918 1.00 0.00 O ATOM 313 CB ASP A 20 12.633 2.046 -5.721 1.00 0.00 C ATOM 314 CG ASP A 20 11.980 3.066 -4.784 1.00 0.00 C ATOM 315 OD1 ASP A 20 10.993 3.660 -5.183 1.00 0.00 O ATOM 316 OD2 ASP A 20 12.481 3.235 -3.684 1.00 0.00 O ATOM 0 H ASP A 20 10.622 0.630 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 20 11.301 2.665 -7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.866 1.132 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.576 2.439 -6.102 1.00 0.00 H new ATOM 321 N ASP A 21 12.555 -0.332 -7.803 1.00 0.00 N ATOM 322 CA ASP A 21 13.288 -1.161 -8.803 1.00 0.00 C ATOM 323 C ASP A 21 12.323 -1.566 -9.917 1.00 0.00 C ATOM 324 O ASP A 21 12.642 -2.376 -10.765 1.00 0.00 O ATOM 325 CB ASP A 21 13.851 -2.409 -8.114 1.00 0.00 C ATOM 326 CG ASP A 21 14.775 -3.151 -9.079 1.00 0.00 C ATOM 327 OD1 ASP A 21 15.757 -2.562 -9.501 1.00 0.00 O ATOM 328 OD2 ASP A 21 14.487 -4.298 -9.383 1.00 0.00 O ATOM 0 H ASP A 21 12.166 -0.853 -7.017 1.00 0.00 H new ATOM 0 HA ASP A 21 14.112 -0.590 -9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.399 -2.125 -7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.037 -3.062 -7.799 1.00 0.00 H new ATOM 333 N GLY A 22 11.147 -0.996 -9.918 1.00 0.00 N ATOM 334 CA GLY A 22 10.142 -1.318 -10.972 1.00 0.00 C ATOM 335 C GLY A 22 9.354 -2.561 -10.562 1.00 0.00 C ATOM 336 O GLY A 22 8.568 -3.086 -11.323 1.00 0.00 O ATOM 0 H GLY A 22 10.837 -0.314 -9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.465 -0.476 -11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.641 -1.489 -11.926 1.00 0.00 H new ATOM 340 N GLU A 23 9.559 -3.026 -9.360 1.00 0.00 N ATOM 341 CA GLU A 23 8.832 -4.241 -8.881 1.00 0.00 C ATOM 342 C GLU A 23 7.494 -3.839 -8.271 1.00 0.00 C ATOM 343 O GLU A 23 7.422 -3.104 -7.309 1.00 0.00 O ATOM 344 CB GLU A 23 9.683 -4.957 -7.828 1.00 0.00 C ATOM 345 CG GLU A 23 10.959 -5.499 -8.479 1.00 0.00 C ATOM 346 CD GLU A 23 10.598 -6.580 -9.502 1.00 0.00 C ATOM 347 OE1 GLU A 23 9.512 -7.127 -9.398 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.412 -6.839 -10.373 1.00 0.00 O ATOM 0 H GLU A 23 10.202 -2.615 -8.683 1.00 0.00 H new ATOM 0 HA GLU A 23 8.652 -4.909 -9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.938 -4.268 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.116 -5.774 -7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.502 -4.690 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.620 -5.912 -7.717 1.00 0.00 H new ATOM 355 N SER A 24 6.433 -4.332 -8.843 1.00 0.00 N ATOM 356 CA SER A 24 5.071 -4.006 -8.343 1.00 0.00 C ATOM 357 C SER A 24 4.783 -4.776 -7.063 1.00 0.00 C ATOM 358 O SER A 24 5.318 -5.837 -6.828 1.00 0.00 O ATOM 359 CB SER A 24 4.037 -4.381 -9.407 1.00 0.00 C ATOM 360 OG SER A 24 4.237 -3.570 -10.558 1.00 0.00 O ATOM 0 H SER A 24 6.453 -4.957 -9.649 1.00 0.00 H new ATOM 0 HA SER A 24 5.015 -2.938 -8.134 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.132 -5.435 -9.669 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.029 -4.239 -9.018 1.00 0.00 H new ATOM 0 HG SER A 24 3.578 -3.807 -11.244 1.00 0.00 H new ATOM 366 N TYR A 25 3.929 -4.237 -6.237 1.00 0.00 N ATOM 367 CA TYR A 25 3.568 -4.910 -4.951 1.00 0.00 C ATOM 368 C TYR A 25 2.055 -4.857 -4.746 1.00 0.00 C ATOM 369 O TYR A 25 1.424 -3.829 -4.895 1.00 0.00 O ATOM 370 CB TYR A 25 4.269 -4.204 -3.792 1.00 0.00 C ATOM 371 CG TYR A 25 5.759 -4.439 -3.888 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.297 -5.664 -3.481 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.600 -3.436 -4.380 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.676 -5.890 -3.566 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.980 -3.661 -4.464 1.00 0.00 C ATOM 376 CZ TYR A 25 8.517 -4.886 -4.059 1.00 0.00 C ATOM 377 OH TYR A 25 9.877 -5.106 -4.145 1.00 0.00 O ATOM 0 H TYR A 25 3.458 -3.347 -6.398 1.00 0.00 H new ATOM 0 HA TYR A 25 3.887 -5.952 -4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.056 -3.135 -3.820 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.891 -4.579 -2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.647 -6.438 -3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.186 -2.489 -4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.090 -6.837 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.630 -2.886 -4.843 1.00 0.00 H new ATOM 0 HH TYR A 25 10.315 -4.308 -4.509 1.00 0.00 H new ATOM 387 N PHE A 26 1.479 -5.973 -4.400 1.00 0.00 N ATOM 388 CA PHE A 26 0.005 -6.044 -4.177 1.00 0.00 C ATOM 389 C PHE A 26 -0.357 -5.443 -2.829 1.00 0.00 C ATOM 390 O PHE A 26 0.328 -5.629 -1.844 1.00 0.00 O ATOM 391 CB PHE A 26 -0.443 -7.511 -4.218 1.00 0.00 C ATOM 392 CG PHE A 26 -0.501 -7.979 -5.655 1.00 0.00 C ATOM 393 CD1 PHE A 26 0.673 -8.057 -6.415 1.00 0.00 C ATOM 394 CD2 PHE A 26 -1.730 -8.328 -6.231 1.00 0.00 C ATOM 395 CE1 PHE A 26 0.619 -8.484 -7.746 1.00 0.00 C ATOM 396 CE2 PHE A 26 -1.783 -8.754 -7.560 1.00 0.00 C ATOM 397 CZ PHE A 26 -0.610 -8.832 -8.319 1.00 0.00 C ATOM 0 H PHE A 26 1.973 -6.854 -4.260 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.499 -5.479 -4.961 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.251 -8.131 -3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.422 -7.617 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.621 -7.787 -5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.636 -8.268 -5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.525 -8.545 -8.331 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.731 -9.024 -8.003 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.653 -9.161 -9.347 1.00 0.00 H new ATOM 407 N LEU A 27 -1.450 -4.731 -2.789 1.00 0.00 N ATOM 408 CA LEU A 27 -1.909 -4.101 -1.520 1.00 0.00 C ATOM 409 C LEU A 27 -3.242 -4.721 -1.106 1.00 0.00 C ATOM 410 O LEU A 27 -4.238 -4.611 -1.792 1.00 0.00 O ATOM 411 CB LEU A 27 -2.080 -2.591 -1.745 1.00 0.00 C ATOM 412 CG LEU A 27 -2.067 -1.868 -0.392 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.078 -0.356 -0.614 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.294 -2.280 0.441 1.00 0.00 C ATOM 0 H LEU A 27 -2.052 -4.557 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.176 -4.268 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.277 -2.214 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.017 -2.394 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.163 -2.147 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.069 0.153 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.197 -0.066 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.976 -0.076 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.274 -1.761 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.204 -2.015 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.273 -3.356 0.611 1.00 0.00 H new ATOM 426 N HIS A 28 -3.258 -5.365 0.030 1.00 0.00 N ATOM 427 CA HIS A 28 -4.512 -6.001 0.534 1.00 0.00 C ATOM 428 C HIS A 28 -4.643 -5.785 2.039 1.00 0.00 C ATOM 429 O HIS A 28 -3.716 -5.387 2.715 1.00 0.00 O ATOM 430 CB HIS A 28 -4.480 -7.498 0.234 1.00 0.00 C ATOM 431 CG HIS A 28 -5.799 -8.109 0.619 1.00 0.00 C ATOM 432 ND1 HIS A 28 -5.964 -8.841 1.785 1.00 0.00 N ATOM 433 CD2 HIS A 28 -7.028 -8.102 0.005 1.00 0.00 C ATOM 434 CE1 HIS A 28 -7.247 -9.240 1.836 1.00 0.00 C ATOM 435 NE2 HIS A 28 -7.941 -8.818 0.776 1.00 0.00 N ATOM 0 H HIS A 28 -2.447 -5.479 0.638 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.367 -5.545 0.035 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.284 -7.664 -0.825 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.670 -7.974 0.787 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.252 -7.615 -0.933 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.666 -9.830 2.637 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.927 -8.984 0.574 1.00 0.00 H new ATOM 443 N PHE A 29 -5.808 -6.048 2.557 1.00 0.00 N ATOM 444 CA PHE A 29 -6.069 -5.871 4.014 1.00 0.00 C ATOM 445 C PHE A 29 -5.165 -6.806 4.816 1.00 0.00 C ATOM 446 O PHE A 29 -4.641 -6.439 5.850 1.00 0.00 O ATOM 447 CB PHE A 29 -7.543 -6.212 4.304 1.00 0.00 C ATOM 448 CG PHE A 29 -8.422 -5.029 3.960 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.464 -4.547 2.647 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.188 -4.409 4.958 1.00 0.00 C ATOM 451 CE1 PHE A 29 -9.271 -3.447 2.331 1.00 0.00 C ATOM 452 CE2 PHE A 29 -9.994 -3.311 4.641 1.00 0.00 C ATOM 453 CZ PHE A 29 -10.036 -2.829 3.327 1.00 0.00 C ATOM 0 H PHE A 29 -6.608 -6.385 2.022 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.863 -4.840 4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.845 -7.082 3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.665 -6.473 5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.874 -5.023 1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.155 -4.780 5.972 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.303 -3.075 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.584 -2.835 5.410 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.658 -1.981 3.082 1.00 0.00 H new ATOM 463 N SER A 30 -4.998 -8.010 4.352 1.00 0.00 N ATOM 464 CA SER A 30 -4.148 -8.995 5.079 1.00 0.00 C ATOM 465 C SER A 30 -2.718 -8.466 5.193 1.00 0.00 C ATOM 466 O SER A 30 -1.943 -8.932 6.003 1.00 0.00 O ATOM 467 CB SER A 30 -4.144 -10.319 4.309 1.00 0.00 C ATOM 468 OG SER A 30 -3.368 -11.273 5.022 1.00 0.00 O ATOM 0 H SER A 30 -5.418 -8.359 3.491 1.00 0.00 H new ATOM 0 HA SER A 30 -4.550 -9.151 6.080 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.164 -10.683 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.733 -10.171 3.310 1.00 0.00 H new ATOM 0 HG SER A 30 -3.364 -12.122 4.533 1.00 0.00 H new ATOM 474 N GLU A 31 -2.361 -7.498 4.391 1.00 0.00 N ATOM 475 CA GLU A 31 -0.977 -6.933 4.453 1.00 0.00 C ATOM 476 C GLU A 31 -0.971 -5.731 5.396 1.00 0.00 C ATOM 477 O GLU A 31 0.066 -5.183 5.709 1.00 0.00 O ATOM 478 CB GLU A 31 -0.545 -6.477 3.052 1.00 0.00 C ATOM 479 CG GLU A 31 -0.351 -7.698 2.151 1.00 0.00 C ATOM 480 CD GLU A 31 0.010 -7.241 0.734 1.00 0.00 C ATOM 481 OE1 GLU A 31 0.093 -6.044 0.520 1.00 0.00 O ATOM 482 OE2 GLU A 31 0.196 -8.100 -0.113 1.00 0.00 O ATOM 0 H GLU A 31 -2.969 -7.071 3.692 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.287 -7.695 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.298 -5.814 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.382 -5.907 3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.438 -8.335 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.263 -8.295 2.130 1.00 0.00 H new ATOM 489 N LEU A 32 -2.125 -5.319 5.848 1.00 0.00 N ATOM 490 CA LEU A 32 -2.205 -4.144 6.771 1.00 0.00 C ATOM 491 C LEU A 32 -2.055 -4.604 8.216 1.00 0.00 C ATOM 492 O LEU A 32 -2.781 -5.451 8.696 1.00 0.00 O ATOM 493 CB LEU A 32 -3.561 -3.447 6.592 1.00 0.00 C ATOM 494 CG LEU A 32 -3.724 -2.986 5.137 1.00 0.00 C ATOM 495 CD1 LEU A 32 -5.091 -2.309 4.963 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.605 -1.993 4.775 1.00 0.00 C ATOM 0 H LEU A 32 -3.022 -5.747 5.618 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.400 -3.448 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.368 -4.129 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.631 -2.591 7.264 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.661 -3.851 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.206 -1.982 3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.882 -3.017 5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.157 -1.446 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.726 -1.669 3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.659 -1.127 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.636 -2.478 4.892 1.00 0.00 H new ATOM 508 N LEU A 33 -1.115 -4.026 8.912 1.00 0.00 N ATOM 509 CA LEU A 33 -0.887 -4.387 10.337 1.00 0.00 C ATOM 510 C LEU A 33 -2.123 -4.000 11.138 1.00 0.00 C ATOM 511 O LEU A 33 -2.570 -4.732 11.996 1.00 0.00 O ATOM 512 CB LEU A 33 0.328 -3.615 10.877 1.00 0.00 C ATOM 513 CG LEU A 33 1.612 -4.109 10.189 1.00 0.00 C ATOM 514 CD1 LEU A 33 2.787 -3.198 10.573 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.923 -5.554 10.623 1.00 0.00 C ATOM 0 H LEU A 33 -0.488 -3.309 8.547 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.700 -5.457 10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.199 -2.547 10.701 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.407 -3.753 11.955 1.00 0.00 H new ATOM 0 HG LEU A 33 1.466 -4.083 9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.695 -3.550 10.084 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.576 -2.177 10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.925 -3.219 11.654 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.834 -5.894 10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.061 -5.588 11.704 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.094 -6.204 10.343 1.00 0.00 H new ATOM 527 N ASP A 34 -2.673 -2.851 10.852 1.00 0.00 N ATOM 528 CA ASP A 34 -3.893 -2.375 11.577 1.00 0.00 C ATOM 529 C ASP A 34 -4.969 -2.014 10.557 1.00 0.00 C ATOM 530 O ASP A 34 -4.728 -1.316 9.591 1.00 0.00 O ATOM 531 CB ASP A 34 -3.539 -1.150 12.422 1.00 0.00 C ATOM 532 CG ASP A 34 -4.774 -0.679 13.197 1.00 0.00 C ATOM 533 OD1 ASP A 34 -5.843 -1.218 12.956 1.00 0.00 O ATOM 534 OD2 ASP A 34 -4.629 0.212 14.017 1.00 0.00 O ATOM 0 H ASP A 34 -2.326 -2.211 10.137 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.266 -3.161 12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.735 -1.396 13.116 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.173 -0.348 11.781 1.00 0.00 H new ATOM 539 N LYS A 35 -6.154 -2.504 10.769 1.00 0.00 N ATOM 540 CA LYS A 35 -7.282 -2.231 9.834 1.00 0.00 C ATOM 541 C LYS A 35 -7.591 -0.735 9.829 1.00 0.00 C ATOM 542 O LYS A 35 -7.949 -0.172 8.813 1.00 0.00 O ATOM 543 CB LYS A 35 -8.519 -3.005 10.308 1.00 0.00 C ATOM 544 CG LYS A 35 -8.219 -4.510 10.356 1.00 0.00 C ATOM 545 CD LYS A 35 -8.217 -5.096 8.940 1.00 0.00 C ATOM 546 CE LYS A 35 -8.012 -6.608 9.014 1.00 0.00 C ATOM 547 NZ LYS A 35 -7.992 -7.171 7.633 1.00 0.00 N ATOM 0 H LYS A 35 -6.396 -3.094 11.565 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.010 -2.546 8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.819 -2.655 11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.355 -2.815 9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.252 -4.680 10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.966 -5.018 10.966 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.159 -4.870 8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.424 -4.640 8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.076 -6.835 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.812 -7.067 9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.176 -8.194 7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.726 -6.709 7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.060 -7.003 7.203 1.00 0.00 H new ATOM 561 N LYS A 36 -7.465 -0.097 10.956 1.00 0.00 N ATOM 562 CA LYS A 36 -7.756 1.364 11.041 1.00 0.00 C ATOM 563 C LYS A 36 -6.822 2.127 10.101 1.00 0.00 C ATOM 564 O LYS A 36 -7.201 3.115 9.503 1.00 0.00 O ATOM 565 CB LYS A 36 -7.516 1.844 12.476 1.00 0.00 C ATOM 566 CG LYS A 36 -8.588 1.267 13.406 1.00 0.00 C ATOM 567 CD LYS A 36 -8.272 1.646 14.861 1.00 0.00 C ATOM 568 CE LYS A 36 -8.636 3.114 15.113 1.00 0.00 C ATOM 569 NZ LYS A 36 -8.588 3.392 16.573 1.00 0.00 N ATOM 0 H LYS A 36 -7.170 -0.527 11.833 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.793 1.544 10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.526 1.534 12.811 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.538 2.933 12.513 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.570 1.649 13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.627 0.183 13.303 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.829 1.003 15.542 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.213 1.485 15.065 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.942 3.768 14.584 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.632 3.325 14.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.835 4.388 16.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.266 2.777 17.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.629 3.206 16.930 1.00 0.00 H new ATOM 583 N ASP A 37 -5.601 1.680 9.985 1.00 0.00 N ATOM 584 CA ASP A 37 -4.616 2.372 9.102 1.00 0.00 C ATOM 585 C ASP A 37 -5.093 2.297 7.652 1.00 0.00 C ATOM 586 O ASP A 37 -4.552 2.943 6.775 1.00 0.00 O ATOM 587 CB ASP A 37 -3.254 1.672 9.216 1.00 0.00 C ATOM 588 CG ASP A 37 -2.623 1.962 10.582 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.097 2.862 11.254 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.674 1.278 10.931 1.00 0.00 O ATOM 0 H ASP A 37 -5.240 0.858 10.468 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.525 3.415 9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.377 0.597 9.085 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.592 2.016 8.421 1.00 0.00 H new ATOM 595 N GLU A 38 -6.100 1.513 7.397 1.00 0.00 N ATOM 596 CA GLU A 38 -6.626 1.380 6.009 1.00 0.00 C ATOM 597 C GLU A 38 -7.262 2.700 5.573 1.00 0.00 C ATOM 598 O GLU A 38 -7.152 3.107 4.433 1.00 0.00 O ATOM 599 CB GLU A 38 -7.688 0.271 5.982 1.00 0.00 C ATOM 600 CG GLU A 38 -8.155 0.035 4.540 1.00 0.00 C ATOM 601 CD GLU A 38 -9.148 1.127 4.124 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.862 1.615 4.985 1.00 0.00 O ATOM 603 OE2 GLU A 38 -9.172 1.459 2.952 1.00 0.00 O ATOM 0 H GLU A 38 -6.587 0.953 8.096 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.811 1.131 5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.277 -0.650 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.536 0.551 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.298 0.036 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.624 -0.945 4.457 1.00 0.00 H new ATOM 610 N GLY A 39 -7.942 3.359 6.469 1.00 0.00 N ATOM 611 CA GLY A 39 -8.613 4.648 6.125 1.00 0.00 C ATOM 612 C GLY A 39 -7.600 5.793 6.188 1.00 0.00 C ATOM 613 O GLY A 39 -7.886 6.903 5.793 1.00 0.00 O ATOM 0 H GLY A 39 -8.064 3.058 7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.046 4.588 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.433 4.838 6.817 1.00 0.00 H new ATOM 617 N LYS A 40 -6.421 5.530 6.684 1.00 0.00 N ATOM 618 CA LYS A 40 -5.379 6.600 6.782 1.00 0.00 C ATOM 619 C LYS A 40 -4.416 6.475 5.599 1.00 0.00 C ATOM 620 O LYS A 40 -3.429 7.177 5.514 1.00 0.00 O ATOM 621 CB LYS A 40 -4.603 6.427 8.092 1.00 0.00 C ATOM 622 CG LYS A 40 -5.527 6.725 9.277 1.00 0.00 C ATOM 623 CD LYS A 40 -4.802 6.404 10.589 1.00 0.00 C ATOM 624 CE LYS A 40 -3.712 7.447 10.856 1.00 0.00 C ATOM 625 NZ LYS A 40 -3.283 7.364 12.277 1.00 0.00 N ATOM 0 H LYS A 40 -6.131 4.615 7.028 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.853 7.581 6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.216 5.411 8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.744 7.098 8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.827 7.773 9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.438 6.132 9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.514 6.392 11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.359 5.409 10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.861 7.275 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.088 8.446 10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.543 8.072 12.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.098 7.548 12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.908 6.414 12.471 1.00 0.00 H new ATOM 639 N LEU A 41 -4.700 5.582 4.692 1.00 0.00 N ATOM 640 CA LEU A 41 -3.810 5.384 3.509 1.00 0.00 C ATOM 641 C LEU A 41 -3.771 6.643 2.662 1.00 0.00 C ATOM 642 O LEU A 41 -4.667 7.459 2.698 1.00 0.00 O ATOM 643 CB LEU A 41 -4.335 4.217 2.667 1.00 0.00 C ATOM 644 CG LEU A 41 -4.246 2.922 3.487 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.907 1.778 2.714 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.769 2.575 3.764 1.00 0.00 C ATOM 0 H LEU A 41 -5.519 4.974 4.719 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.801 5.163 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.367 4.403 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.752 4.122 1.751 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.763 3.064 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.843 0.860 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.954 2.020 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.395 1.639 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.714 1.655 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.244 2.438 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.303 3.386 4.323 1.00 0.00 H new ATOM 658 N VAL A 42 -2.716 6.805 1.905 1.00 0.00 N ATOM 659 CA VAL A 42 -2.568 8.016 1.043 1.00 0.00 C ATOM 660 C VAL A 42 -2.353 7.602 -0.410 1.00 0.00 C ATOM 661 O VAL A 42 -1.523 6.775 -0.731 1.00 0.00 O ATOM 662 CB VAL A 42 -1.372 8.841 1.537 1.00 0.00 C ATOM 663 CG1 VAL A 42 -0.111 7.973 1.612 1.00 0.00 C ATOM 664 CG2 VAL A 42 -1.140 10.014 0.585 1.00 0.00 C ATOM 0 H VAL A 42 -1.943 6.142 1.847 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.475 8.617 1.102 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.590 9.217 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.726 8.576 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.279 7.147 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.118 7.578 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.291 10.602 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.933 9.635 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.030 10.642 0.558 1.00 0.00 H new ATOM 674 N LYS A 43 -3.117 8.191 -1.287 1.00 0.00 N ATOM 675 CA LYS A 43 -3.019 7.881 -2.742 1.00 0.00 C ATOM 676 C LYS A 43 -2.163 8.923 -3.466 1.00 0.00 C ATOM 677 O LYS A 43 -2.306 10.115 -3.274 1.00 0.00 O ATOM 678 CB LYS A 43 -4.429 7.876 -3.339 1.00 0.00 C ATOM 679 CG LYS A 43 -4.364 7.460 -4.812 1.00 0.00 C ATOM 680 CD LYS A 43 -5.776 7.449 -5.413 1.00 0.00 C ATOM 681 CE LYS A 43 -6.544 6.211 -4.934 1.00 0.00 C ATOM 682 NZ LYS A 43 -7.748 6.016 -5.782 1.00 0.00 N ATOM 0 H LYS A 43 -3.821 8.890 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.548 6.906 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.067 7.188 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.876 8.866 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.728 8.150 -5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.914 6.471 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.311 8.353 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.716 7.451 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.904 5.330 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.836 6.332 -3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.269 5.176 -5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.361 6.853 -5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.458 5.882 -6.772 1.00 0.00 H new ATOM 696 N GLY A 44 -1.297 8.458 -4.325 1.00 0.00 N ATOM 697 CA GLY A 44 -0.424 9.368 -5.127 1.00 0.00 C ATOM 698 C GLY A 44 0.782 9.820 -4.308 1.00 0.00 C ATOM 699 O GLY A 44 1.371 10.843 -4.590 1.00 0.00 O ATOM 0 H GLY A 44 -1.154 7.465 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.086 8.855 -6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.997 10.237 -5.450 1.00 0.00 H new ATOM 703 N SER A 45 1.160 9.074 -3.301 1.00 0.00 N ATOM 704 CA SER A 45 2.337 9.477 -2.463 1.00 0.00 C ATOM 705 C SER A 45 3.253 8.284 -2.186 1.00 0.00 C ATOM 706 O SER A 45 2.966 7.150 -2.528 1.00 0.00 O ATOM 707 CB SER A 45 1.846 10.048 -1.141 1.00 0.00 C ATOM 708 OG SER A 45 0.812 10.989 -1.393 1.00 0.00 O ATOM 0 H SER A 45 0.707 8.204 -3.021 1.00 0.00 H new ATOM 0 HA SER A 45 2.905 10.229 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.477 9.247 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.669 10.527 -0.610 1.00 0.00 H new ATOM 0 HG SER A 45 0.817 11.675 -0.694 1.00 0.00 H new ATOM 714 N MET A 46 4.370 8.563 -1.571 1.00 0.00 N ATOM 715 CA MET A 46 5.365 7.505 -1.250 1.00 0.00 C ATOM 716 C MET A 46 4.922 6.720 -0.025 1.00 0.00 C ATOM 717 O MET A 46 4.385 7.260 0.919 1.00 0.00 O ATOM 718 CB MET A 46 6.726 8.153 -0.972 1.00 0.00 C ATOM 719 CG MET A 46 7.271 8.769 -2.263 1.00 0.00 C ATOM 720 SD MET A 46 8.867 9.558 -1.930 1.00 0.00 S ATOM 721 CE MET A 46 9.035 10.422 -3.511 1.00 0.00 C ATOM 0 H MET A 46 4.638 9.501 -1.272 1.00 0.00 H new ATOM 0 HA MET A 46 5.445 6.825 -2.098 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.625 8.920 -0.204 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.424 7.408 -0.589 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.386 7.999 -3.025 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.566 9.502 -2.655 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.969 10.983 -3.521 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.039 9.696 -4.324 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.198 11.108 -3.641 1.00 0.00 H new ATOM 731 N VAL A 47 5.158 5.438 -0.043 1.00 0.00 N ATOM 732 CA VAL A 47 4.773 4.566 1.106 1.00 0.00 C ATOM 733 C VAL A 47 5.940 3.663 1.470 1.00 0.00 C ATOM 734 O VAL A 47 6.872 3.494 0.710 1.00 0.00 O ATOM 735 CB VAL A 47 3.568 3.705 0.723 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.371 4.607 0.422 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.898 2.863 -0.515 1.00 0.00 C ATOM 0 H VAL A 47 5.608 4.949 -0.816 1.00 0.00 H new ATOM 0 HA VAL A 47 4.513 5.192 1.959 1.00 0.00 H new ATOM 0 HB VAL A 47 3.326 3.041 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.513 3.993 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.129 5.197 1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.617 5.275 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.035 2.253 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.147 3.522 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.747 2.215 -0.298 1.00 0.00 H new ATOM 747 N HIS A 48 5.890 3.088 2.639 1.00 0.00 N ATOM 748 CA HIS A 48 6.987 2.184 3.103 1.00 0.00 C ATOM 749 C HIS A 48 6.427 0.800 3.401 1.00 0.00 C ATOM 750 O HIS A 48 5.393 0.646 4.021 1.00 0.00 O ATOM 751 CB HIS A 48 7.626 2.771 4.362 1.00 0.00 C ATOM 752 CG HIS A 48 8.433 3.985 3.990 1.00 0.00 C ATOM 753 ND1 HIS A 48 9.808 3.935 3.834 1.00 0.00 N ATOM 754 CD2 HIS A 48 8.072 5.285 3.735 1.00 0.00 C ATOM 755 CE1 HIS A 48 10.223 5.170 3.499 1.00 0.00 C ATOM 756 NE2 HIS A 48 9.204 6.031 3.424 1.00 0.00 N ATOM 0 H HIS A 48 5.126 3.206 3.304 1.00 0.00 H new ATOM 0 HA HIS A 48 7.741 2.096 2.321 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.855 3.040 5.084 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.265 2.028 4.840 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.063 5.669 3.770 1.00 0.00 H new ATOM 0 HE1 HIS A 48 11.254 5.433 3.313 1.00 0.00 H new ATOM 0 HE2 HIS A 48 9.247 7.023 3.189 1.00 0.00 H new ATOM 764 N PHE A 49 7.119 -0.206 2.951 1.00 0.00 N ATOM 765 CA PHE A 49 6.672 -1.607 3.178 1.00 0.00 C ATOM 766 C PHE A 49 7.875 -2.541 3.200 1.00 0.00 C ATOM 767 O PHE A 49 8.927 -2.244 2.661 1.00 0.00 O ATOM 768 CB PHE A 49 5.712 -2.031 2.065 1.00 0.00 C ATOM 769 CG PHE A 49 6.394 -1.935 0.718 1.00 0.00 C ATOM 770 CD1 PHE A 49 7.172 -3.002 0.245 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.243 -0.782 -0.064 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.796 -2.914 -1.007 1.00 0.00 C ATOM 773 CE2 PHE A 49 6.867 -0.697 -1.316 1.00 0.00 C ATOM 774 CZ PHE A 49 7.644 -1.761 -1.786 1.00 0.00 C ATOM 0 H PHE A 49 7.989 -0.116 2.427 1.00 0.00 H new ATOM 0 HA PHE A 49 6.159 -1.664 4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.374 -3.053 2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.826 -1.396 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.290 -3.892 0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.645 0.041 0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.394 -3.736 -1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.748 0.191 -1.919 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.127 -1.693 -2.750 1.00 0.00 H new ATOM 784 N ASP A 50 7.723 -3.671 3.837 1.00 0.00 N ATOM 785 CA ASP A 50 8.837 -4.648 3.935 1.00 0.00 C ATOM 786 C ASP A 50 8.694 -5.702 2.830 1.00 0.00 C ATOM 787 O ASP A 50 7.611 -5.939 2.326 1.00 0.00 O ATOM 788 CB ASP A 50 8.791 -5.341 5.306 1.00 0.00 C ATOM 789 CG ASP A 50 9.389 -4.412 6.365 1.00 0.00 C ATOM 790 OD1 ASP A 50 9.240 -3.212 6.221 1.00 0.00 O ATOM 791 OD2 ASP A 50 9.991 -4.919 7.298 1.00 0.00 O ATOM 0 H ASP A 50 6.860 -3.959 4.299 1.00 0.00 H new ATOM 0 HA ASP A 50 9.787 -4.126 3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.762 -5.591 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.348 -6.277 5.271 1.00 0.00 H new ATOM 796 N PRO A 51 9.778 -6.341 2.460 1.00 0.00 N ATOM 797 CA PRO A 51 9.764 -7.397 1.405 1.00 0.00 C ATOM 798 C PRO A 51 8.800 -8.540 1.719 1.00 0.00 C ATOM 799 O PRO A 51 8.568 -8.873 2.864 1.00 0.00 O ATOM 800 CB PRO A 51 11.218 -7.906 1.367 1.00 0.00 C ATOM 801 CG PRO A 51 12.033 -6.816 1.982 1.00 0.00 C ATOM 802 CD PRO A 51 11.135 -6.136 3.002 1.00 0.00 C ATOM 0 HA PRO A 51 9.418 -6.998 0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.323 -8.838 1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.538 -8.107 0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.926 -7.220 2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.368 -6.107 1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.243 -6.581 3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.371 -5.077 3.101 1.00 0.00 H new ATOM 810 N THR A 52 8.246 -9.139 0.699 1.00 0.00 N ATOM 811 CA THR A 52 7.293 -10.270 0.897 1.00 0.00 C ATOM 812 C THR A 52 7.717 -11.435 -0.013 1.00 0.00 C ATOM 813 O THR A 52 7.367 -11.476 -1.177 1.00 0.00 O ATOM 814 CB THR A 52 5.882 -9.797 0.527 1.00 0.00 C ATOM 815 OG1 THR A 52 5.705 -8.460 0.976 1.00 0.00 O ATOM 816 CG2 THR A 52 4.845 -10.699 1.202 1.00 0.00 C ATOM 0 H THR A 52 8.415 -8.890 -0.275 1.00 0.00 H new ATOM 0 HA THR A 52 7.299 -10.602 1.935 1.00 0.00 H new ATOM 0 HB THR A 52 5.754 -9.844 -0.554 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.695 -7.855 0.205 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.843 -10.362 0.938 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.982 -11.727 0.865 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.971 -10.652 2.284 1.00 0.00 H new ATOM 895 N LEU A 58 4.270 -11.226 -6.179 1.00 0.00 N ATOM 896 CA LEU A 58 4.699 -9.984 -5.467 1.00 0.00 C ATOM 897 C LEU A 58 3.656 -9.569 -4.440 1.00 0.00 C ATOM 898 O LEU A 58 2.470 -9.738 -4.629 1.00 0.00 O ATOM 899 CB LEU A 58 4.936 -8.837 -6.474 1.00 0.00 C ATOM 900 CG LEU A 58 6.445 -8.699 -6.750 1.00 0.00 C ATOM 901 CD1 LEU A 58 7.178 -8.219 -5.468 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.016 -10.062 -7.203 1.00 0.00 C ATOM 0 HA LEU A 58 5.635 -10.195 -4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.403 -9.038 -7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.541 -7.902 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 58 6.598 -7.964 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.244 -8.124 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.780 -7.252 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.025 -8.944 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.084 -9.962 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.858 -10.802 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.510 -10.384 -8.113 1.00 0.00 H new ATOM 914 N ALA A 59 4.112 -9.011 -3.352 1.00 0.00 N ATOM 915 CA ALA A 59 3.183 -8.559 -2.284 1.00 0.00 C ATOM 916 C ALA A 59 3.906 -7.636 -1.306 1.00 0.00 C ATOM 917 O ALA A 59 5.112 -7.662 -1.176 1.00 0.00 O ATOM 918 CB ALA A 59 2.638 -9.773 -1.535 1.00 0.00 C ATOM 0 H ALA A 59 5.100 -8.848 -3.158 1.00 0.00 H new ATOM 0 HA ALA A 59 2.360 -8.010 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.957 -9.441 -0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.104 -10.420 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.464 -10.325 -1.087 1.00 0.00 H new ATOM 924 N ALA A 60 3.160 -6.819 -0.614 1.00 0.00 N ATOM 925 CA ALA A 60 3.761 -5.869 0.369 1.00 0.00 C ATOM 926 C ALA A 60 3.569 -6.399 1.786 1.00 0.00 C ATOM 927 O ALA A 60 2.499 -6.829 2.165 1.00 0.00 O ATOM 928 CB ALA A 60 3.080 -4.506 0.236 1.00 0.00 C ATOM 0 H ALA A 60 2.144 -6.768 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 60 4.827 -5.768 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.516 -3.810 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.224 -4.124 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.014 -4.611 0.436 1.00 0.00 H new ATOM 934 N LYS A 61 4.616 -6.364 2.565 1.00 0.00 N ATOM 935 CA LYS A 61 4.552 -6.860 3.975 1.00 0.00 C ATOM 936 C LYS A 61 4.766 -5.702 4.951 1.00 0.00 C ATOM 937 O LYS A 61 5.643 -4.878 4.787 1.00 0.00 O ATOM 938 CB LYS A 61 5.641 -7.915 4.187 1.00 0.00 C ATOM 939 CG LYS A 61 5.512 -8.499 5.596 1.00 0.00 C ATOM 940 CD LYS A 61 6.550 -9.608 5.795 1.00 0.00 C ATOM 941 CE LYS A 61 6.409 -10.200 7.201 1.00 0.00 C ATOM 942 NZ LYS A 61 5.235 -11.119 7.233 1.00 0.00 N ATOM 0 H LYS A 61 5.529 -6.007 2.282 1.00 0.00 H new ATOM 0 HA LYS A 61 3.571 -7.299 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.547 -8.706 3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.627 -7.469 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.657 -7.715 6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.508 -8.897 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.412 -10.388 5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.555 -9.208 5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.316 -10.740 7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.281 -9.402 7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.676 -10.938 8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.643 -10.956 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.566 -12.105 7.237 1.00 0.00 H new ATOM 956 N ALA A 62 3.955 -5.661 5.970 1.00 0.00 N ATOM 957 CA ALA A 62 4.050 -4.594 7.009 1.00 0.00 C ATOM 958 C ALA A 62 4.045 -3.214 6.356 1.00 0.00 C ATOM 959 O ALA A 62 5.016 -2.483 6.404 1.00 0.00 O ATOM 960 CB ALA A 62 5.323 -4.793 7.833 1.00 0.00 C ATOM 0 H ALA A 62 3.211 -6.339 6.131 1.00 0.00 H new ATOM 0 HA ALA A 62 3.186 -4.660 7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.391 -4.013 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.294 -5.769 8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.193 -4.739 7.178 1.00 0.00 H new ATOM 966 N ILE A 63 2.943 -2.853 5.759 1.00 0.00 N ATOM 967 CA ILE A 63 2.830 -1.522 5.098 1.00 0.00 C ATOM 968 C ILE A 63 2.726 -0.428 6.155 1.00 0.00 C ATOM 969 O ILE A 63 2.031 -0.561 7.140 1.00 0.00 O ATOM 970 CB ILE A 63 1.586 -1.498 4.200 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.777 -2.488 3.045 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.388 -0.089 3.635 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.456 -2.670 2.291 1.00 0.00 C ATOM 0 H ILE A 63 2.105 -3.431 5.700 1.00 0.00 H new ATOM 0 HA ILE A 63 3.717 -1.345 4.489 1.00 0.00 H new ATOM 0 HB ILE A 63 0.710 -1.780 4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.547 -2.123 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.121 -3.448 3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.504 -0.074 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.256 0.617 4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.263 0.194 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.599 -3.375 1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.302 -3.055 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.130 -1.710 1.891 1.00 0.00 H new ATOM 985 N SER A 64 3.427 0.655 5.949 1.00 0.00 N ATOM 986 CA SER A 64 3.401 1.784 6.928 1.00 0.00 C ATOM 987 C SER A 64 3.181 3.104 6.200 1.00 0.00 C ATOM 988 O SER A 64 3.572 3.280 5.058 1.00 0.00 O ATOM 989 CB SER A 64 4.732 1.835 7.679 1.00 0.00 C ATOM 990 OG SER A 64 5.808 1.798 6.750 1.00 0.00 O ATOM 0 H SER A 64 4.023 0.808 5.136 1.00 0.00 H new ATOM 0 HA SER A 64 2.585 1.625 7.633 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.788 2.743 8.279 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.804 0.993 8.368 1.00 0.00 H new ATOM 0 HG SER A 64 6.659 1.832 7.234 1.00 0.00 H new ATOM 996 N LEU A 65 2.556 4.037 6.875 1.00 0.00 N ATOM 997 CA LEU A 65 2.277 5.381 6.281 1.00 0.00 C ATOM 998 C LEU A 65 2.942 6.460 7.148 1.00 0.00 C ATOM 999 O LEU A 65 2.311 7.061 7.996 1.00 0.00 O ATOM 1000 CB LEU A 65 0.758 5.634 6.198 1.00 0.00 C ATOM 1001 CG LEU A 65 0.031 5.204 7.495 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -1.208 6.094 7.713 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.421 3.734 7.388 1.00 0.00 C ATOM 0 H LEU A 65 2.221 3.921 7.831 1.00 0.00 H new ATOM 0 HA LEU A 65 2.684 5.417 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.576 6.693 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.344 5.087 5.351 1.00 0.00 H new ATOM 0 HG LEU A 65 0.718 5.312 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.718 5.790 8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.897 7.135 7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.886 5.988 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.931 3.442 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.101 3.623 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.450 3.096 7.238 1.00 0.00 H new ATOM 1015 N PRO A 66 4.217 6.699 6.940 1.00 0.00 N ATOM 1016 CA PRO A 66 4.982 7.717 7.714 1.00 0.00 C ATOM 1017 C PRO A 66 4.727 9.130 7.181 1.00 0.00 C ATOM 1018 O PRO A 66 5.307 10.093 7.637 1.00 0.00 O ATOM 1019 CB PRO A 66 6.446 7.299 7.505 1.00 0.00 C ATOM 1020 CG PRO A 66 6.473 6.602 6.176 1.00 0.00 C ATOM 1021 CD PRO A 66 5.069 6.023 5.941 1.00 0.00 C ATOM 0 HA PRO A 66 4.696 7.751 8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.107 8.166 7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.784 6.638 8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.741 7.298 5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.222 5.810 6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.723 6.220 4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.058 4.942 6.077 1.00 0.00 H new