USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 604 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 20 ASN : amide:sc= -0.659 K(o=-1.5,f=-0.45) USER MOD Set 1.2: A 24 ASN : amide:sc= -0.801 K(o=-1.5,f=-0.93) USER MOD Set 2.1: A 12 MET CE :methyl 178:sc= -0.379 (180deg=-0.424) USER MOD Set 2.2: A 13 THR OG1 : rot 180:sc= -0.0198 USER MOD Set 3.1: A 3 SER OG : rot -152:sc= 1.44 USER MOD Set 3.2: A 47 TYR OH : rot 71:sc= 0.0942 USER MOD Set 4.1: A 1 ASN : amide:sc= -0.374 K(o=-0.48,f=-8.7!) USER MOD Set 4.2: A 48 ASN : amide:sc= -0.106 K(o=-0.48,f=-2) USER MOD Single : A 1 ASN N :NH3+ -126:sc= 0.332 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0023 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 5 CYS SG : rot -85:sc= -1.48! USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0883 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0.264 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 148:sc= 0.832 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.424) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 MET CE :methyl -169:sc= 0 (180deg=-0.126) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.287 X(o=-0.29,f=0.0083) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -16.719 -3.246 10.001 1.00 3.26 N ATOM 2 CA ASN A 1 -15.918 -3.815 8.906 1.00 2.56 C ATOM 3 C ASN A 1 -14.547 -3.129 8.990 1.00 1.96 C ATOM 4 O ASN A 1 -14.277 -2.605 10.071 1.00 2.99 O ATOM 5 CB ASN A 1 -16.685 -3.643 7.586 1.00 2.80 C ATOM 6 CG ASN A 1 -16.079 -4.463 6.462 1.00 3.26 C ATOM 7 OD1 ASN A 1 -15.240 -3.951 5.740 1.00 4.34 O ATOM 8 ND2 ASN A 1 -16.449 -5.732 6.329 1.00 3.29 N ATOM 0 H1 ASN A 1 -17.097 -4.015 10.590 1.00 3.26 H new ATOM 0 H2 ASN A 1 -16.120 -2.626 10.583 1.00 3.26 H new ATOM 0 H3 ASN A 1 -17.507 -2.694 9.605 1.00 3.26 H new ATOM 0 HA ASN A 1 -15.747 -4.889 8.974 1.00 2.56 H new ATOM 0 HB2 ASN A 1 -17.724 -3.939 7.730 1.00 2.80 H new ATOM 0 HB3 ASN A 1 -16.689 -2.590 7.304 1.00 2.80 H new ATOM 0 HD21 ASN A 1 -16.028 -6.313 5.604 1.00 3.29 H new ATOM 0 HD22 ASN A 1 -17.154 -6.126 6.952 1.00 3.29 H new ATOM 17 N SER A 2 -13.722 -3.097 7.938 1.00 1.91 N ATOM 18 CA SER A 2 -12.525 -2.262 7.831 1.00 1.26 C ATOM 19 C SER A 2 -11.294 -2.829 8.546 1.00 0.82 C ATOM 20 O SER A 2 -10.963 -2.414 9.656 1.00 1.19 O ATOM 21 CB SER A 2 -12.801 -0.819 8.264 1.00 1.63 C ATOM 22 OG SER A 2 -14.027 -0.359 7.725 1.00 3.03 O ATOM 0 H SER A 2 -13.876 -3.672 7.110 1.00 1.91 H new ATOM 0 HA SER A 2 -12.274 -2.264 6.770 1.00 1.26 H new ATOM 0 HB2 SER A 2 -12.832 -0.760 9.352 1.00 1.63 H new ATOM 0 HB3 SER A 2 -11.988 -0.173 7.933 1.00 1.63 H new ATOM 0 HG SER A 2 -14.186 0.564 8.014 1.00 3.03 H new ATOM 28 N SER A 3 -10.593 -3.742 7.877 1.00 1.03 N ATOM 29 CA SER A 3 -9.410 -4.436 8.357 1.00 0.74 C ATOM 30 C SER A 3 -8.113 -3.814 7.820 1.00 0.62 C ATOM 31 O SER A 3 -8.145 -2.868 7.026 1.00 0.71 O ATOM 32 CB SER A 3 -9.560 -5.902 7.940 1.00 1.04 C ATOM 33 OG SER A 3 -10.207 -6.016 6.689 1.00 1.80 O ATOM 0 H SER A 3 -10.853 -4.030 6.934 1.00 1.03 H new ATOM 0 HA SER A 3 -9.333 -4.351 9.441 1.00 0.74 H new ATOM 0 HB2 SER A 3 -8.577 -6.370 7.887 1.00 1.04 H new ATOM 0 HB3 SER A 3 -10.130 -6.441 8.697 1.00 1.04 H new ATOM 0 HG SER A 3 -10.685 -6.870 6.645 1.00 1.80 H new ATOM 39 N LYS A 4 -6.966 -4.332 8.289 1.00 0.54 N ATOM 40 CA LYS A 4 -5.641 -3.911 7.862 1.00 0.52 C ATOM 41 C LYS A 4 -5.071 -4.931 6.874 1.00 0.55 C ATOM 42 O LYS A 4 -4.977 -6.112 7.197 1.00 0.91 O ATOM 43 CB LYS A 4 -4.739 -3.642 9.083 1.00 0.67 C ATOM 44 CG LYS A 4 -3.724 -2.530 8.770 1.00 1.98 C ATOM 45 CD LYS A 4 -3.044 -1.935 10.014 1.00 2.65 C ATOM 46 CE LYS A 4 -2.526 -0.523 9.673 1.00 3.93 C ATOM 47 NZ LYS A 4 -1.463 -0.050 10.581 1.00 4.37 N ATOM 0 H LYS A 4 -6.944 -5.071 8.991 1.00 0.54 H new ATOM 0 HA LYS A 4 -5.697 -2.962 7.328 1.00 0.52 H new ATOM 0 HB2 LYS A 4 -5.351 -3.354 9.938 1.00 0.67 H new ATOM 0 HB3 LYS A 4 -4.212 -4.555 9.361 1.00 0.67 H new ATOM 0 HG2 LYS A 4 -2.958 -2.929 8.105 1.00 1.98 H new ATOM 0 HG3 LYS A 4 -4.231 -1.731 8.229 1.00 1.98 H new ATOM 0 HD2 LYS A 4 -3.750 -1.887 10.843 1.00 2.65 H new ATOM 0 HD3 LYS A 4 -2.219 -2.572 10.334 1.00 2.65 H new ATOM 0 HE2 LYS A 4 -2.147 -0.521 8.651 1.00 3.93 H new ATOM 0 HE3 LYS A 4 -3.359 0.179 9.706 1.00 3.93 H new ATOM 0 HZ1 LYS A 4 -1.161 0.903 10.295 1.00 4.37 H new ATOM 0 HZ2 LYS A 4 -1.826 -0.021 11.555 1.00 4.37 H new ATOM 0 HZ3 LYS A 4 -0.651 -0.699 10.533 1.00 4.37 H new ATOM 61 N CYS A 5 -4.736 -4.477 5.663 1.00 0.64 N ATOM 62 CA CYS A 5 -4.147 -5.295 4.610 1.00 0.74 C ATOM 63 C CYS A 5 -2.635 -5.146 4.691 1.00 0.57 C ATOM 64 O CYS A 5 -2.089 -4.041 4.688 1.00 0.61 O ATOM 65 CB CYS A 5 -4.672 -4.958 3.208 1.00 1.14 C ATOM 66 SG CYS A 5 -4.582 -3.195 2.838 1.00 1.91 S ATOM 0 H CYS A 5 -4.872 -3.505 5.385 1.00 0.64 H new ATOM 0 HA CYS A 5 -4.439 -6.332 4.773 1.00 0.74 H new ATOM 0 HB2 CYS A 5 -4.096 -5.511 2.466 1.00 1.14 H new ATOM 0 HB3 CYS A 5 -5.706 -5.291 3.122 1.00 1.14 H new ATOM 0 HG CYS A 5 -5.641 -2.600 3.301 1.00 1.91 H new ATOM 72 N TYR A 6 -1.957 -6.282 4.818 1.00 0.52 N ATOM 73 CA TYR A 6 -0.527 -6.322 5.008 1.00 0.45 C ATOM 74 C TYR A 6 0.075 -6.607 3.640 1.00 0.54 C ATOM 75 O TYR A 6 -0.262 -7.601 3.000 1.00 0.76 O ATOM 76 CB TYR A 6 -0.213 -7.374 6.069 1.00 0.59 C ATOM 77 CG TYR A 6 1.150 -7.252 6.710 1.00 1.05 C ATOM 78 CD1 TYR A 6 2.245 -7.957 6.185 1.00 2.63 C ATOM 79 CD2 TYR A 6 1.283 -6.545 7.919 1.00 1.75 C ATOM 80 CE1 TYR A 6 3.442 -8.036 6.919 1.00 3.29 C ATOM 81 CE2 TYR A 6 2.492 -6.588 8.630 1.00 2.12 C ATOM 82 CZ TYR A 6 3.547 -7.385 8.160 1.00 2.53 C ATOM 83 OH TYR A 6 4.635 -7.604 8.950 1.00 3.26 O ATOM 0 H TYR A 6 -2.395 -7.203 4.791 1.00 0.52 H new ATOM 0 HA TYR A 6 -0.099 -5.390 5.377 1.00 0.45 H new ATOM 0 HB2 TYR A 6 -0.971 -7.317 6.850 1.00 0.59 H new ATOM 0 HB3 TYR A 6 -0.297 -8.361 5.615 1.00 0.59 H new ATOM 0 HD1 TYR A 6 2.168 -8.437 5.221 1.00 2.63 H new ATOM 0 HD2 TYR A 6 0.453 -5.968 8.300 1.00 1.75 H new ATOM 0 HE1 TYR A 6 4.279 -8.596 6.530 1.00 3.29 H new ATOM 0 HE2 TYR A 6 2.610 -6.010 9.535 1.00 2.12 H new ATOM 0 HH TYR A 6 4.553 -7.077 9.772 1.00 3.26 H new ATOM 93 N ILE A 7 0.898 -5.690 3.149 1.00 0.44 N ATOM 94 CA ILE A 7 1.508 -5.749 1.837 1.00 0.42 C ATOM 95 C ILE A 7 3.019 -5.790 2.079 1.00 0.38 C ATOM 96 O ILE A 7 3.512 -5.328 3.112 1.00 0.43 O ATOM 97 CB ILE A 7 1.012 -4.562 0.964 1.00 0.43 C ATOM 98 CG1 ILE A 7 -0.498 -4.330 1.182 1.00 0.68 C ATOM 99 CG2 ILE A 7 1.249 -4.772 -0.543 1.00 0.39 C ATOM 100 CD1 ILE A 7 -1.141 -3.377 0.167 1.00 0.77 C ATOM 0 H ILE A 7 1.165 -4.858 3.675 1.00 0.44 H new ATOM 0 HA ILE A 7 1.227 -6.633 1.265 1.00 0.42 H new ATOM 0 HB ILE A 7 1.595 -3.698 1.282 1.00 0.43 H new ATOM 0 HG12 ILE A 7 -1.012 -5.290 1.138 1.00 0.68 H new ATOM 0 HG13 ILE A 7 -0.652 -3.932 2.185 1.00 0.68 H new ATOM 0 HG21 ILE A 7 0.880 -3.907 -1.093 1.00 0.39 H new ATOM 0 HG22 ILE A 7 2.316 -4.893 -0.730 1.00 0.39 H new ATOM 0 HG23 ILE A 7 0.719 -5.665 -0.874 1.00 0.39 H new ATOM 0 HD11 ILE A 7 -2.202 -3.269 0.391 1.00 0.77 H new ATOM 0 HD12 ILE A 7 -0.656 -2.402 0.225 1.00 0.77 H new ATOM 0 HD13 ILE A 7 -1.022 -3.782 -0.838 1.00 0.77 H new ATOM 112 N GLN A 8 3.768 -6.382 1.155 1.00 0.43 N ATOM 113 CA GLN A 8 5.215 -6.290 1.134 1.00 0.51 C ATOM 114 C GLN A 8 5.625 -5.824 -0.260 1.00 0.51 C ATOM 115 O GLN A 8 4.870 -5.988 -1.223 1.00 0.47 O ATOM 116 CB GLN A 8 5.831 -7.628 1.566 1.00 0.64 C ATOM 117 CG GLN A 8 7.360 -7.545 1.650 1.00 1.85 C ATOM 118 CD GLN A 8 7.974 -8.753 2.347 1.00 1.85 C ATOM 119 OE1 GLN A 8 7.424 -9.848 2.323 1.00 1.67 O ATOM 120 NE2 GLN A 8 9.127 -8.563 2.983 1.00 2.91 N ATOM 0 H GLN A 8 3.381 -6.942 0.396 1.00 0.43 H new ATOM 0 HA GLN A 8 5.595 -5.561 1.849 1.00 0.51 H new ATOM 0 HB2 GLN A 8 5.428 -7.918 2.536 1.00 0.64 H new ATOM 0 HB3 GLN A 8 5.547 -8.406 0.857 1.00 0.64 H new ATOM 0 HG2 GLN A 8 7.772 -7.462 0.644 1.00 1.85 H new ATOM 0 HG3 GLN A 8 7.642 -6.639 2.186 1.00 1.85 H new ATOM 0 HE21 GLN A 8 9.562 -7.640 2.986 1.00 2.91 H new ATOM 0 HE22 GLN A 8 9.576 -9.340 3.468 1.00 2.91 H new ATOM 129 N VAL A 9 6.797 -5.189 -0.340 1.00 0.62 N ATOM 130 CA VAL A 9 7.358 -4.648 -1.566 1.00 0.69 C ATOM 131 C VAL A 9 8.844 -4.988 -1.556 1.00 0.72 C ATOM 132 O VAL A 9 9.485 -4.860 -0.515 1.00 0.96 O ATOM 133 CB VAL A 9 7.152 -3.122 -1.607 1.00 0.81 C ATOM 134 CG1 VAL A 9 7.757 -2.513 -2.879 1.00 1.84 C ATOM 135 CG2 VAL A 9 5.666 -2.743 -1.536 1.00 1.85 C ATOM 0 H VAL A 9 7.393 -5.036 0.473 1.00 0.62 H new ATOM 0 HA VAL A 9 6.872 -5.070 -2.446 1.00 0.69 H new ATOM 0 HB VAL A 9 7.662 -2.720 -0.731 1.00 0.81 H new ATOM 0 HG11 VAL A 9 7.595 -1.435 -2.879 1.00 1.84 H new ATOM 0 HG12 VAL A 9 8.827 -2.720 -2.908 1.00 1.84 H new ATOM 0 HG13 VAL A 9 7.279 -2.951 -3.755 1.00 1.84 H new ATOM 0 HG21 VAL A 9 5.565 -1.658 -1.568 1.00 1.85 H new ATOM 0 HG22 VAL A 9 5.138 -3.181 -2.383 1.00 1.85 H new ATOM 0 HG23 VAL A 9 5.238 -3.120 -0.607 1.00 1.85 H new ATOM 145 N THR A 10 9.410 -5.390 -2.692 1.00 0.68 N ATOM 146 CA THR A 10 10.837 -5.671 -2.783 1.00 0.83 C ATOM 147 C THR A 10 11.564 -4.428 -3.294 1.00 0.87 C ATOM 148 O THR A 10 12.106 -4.424 -4.396 1.00 0.99 O ATOM 149 CB THR A 10 11.066 -6.931 -3.633 1.00 1.01 C ATOM 150 OG1 THR A 10 10.156 -7.929 -3.207 1.00 1.89 O ATOM 151 CG2 THR A 10 12.488 -7.477 -3.460 1.00 2.44 C ATOM 0 H THR A 10 8.898 -5.528 -3.564 1.00 0.68 H new ATOM 0 HA THR A 10 11.258 -5.893 -1.802 1.00 0.83 H new ATOM 0 HB THR A 10 10.919 -6.670 -4.681 1.00 1.01 H new ATOM 0 HG1 THR A 10 10.287 -8.740 -3.741 1.00 1.89 H new ATOM 0 HG21 THR A 10 12.613 -8.368 -4.076 1.00 2.44 H new ATOM 0 HG22 THR A 10 13.209 -6.719 -3.767 1.00 2.44 H new ATOM 0 HG23 THR A 10 12.655 -7.733 -2.414 1.00 2.44 H new ATOM 159 N GLY A 11 11.574 -3.370 -2.473 1.00 1.09 N ATOM 160 CA GLY A 11 12.377 -2.175 -2.711 1.00 1.20 C ATOM 161 C GLY A 11 11.638 -0.885 -2.361 1.00 1.33 C ATOM 162 O GLY A 11 11.825 0.133 -3.021 1.00 1.64 O ATOM 0 H GLY A 11 11.018 -3.324 -1.619 1.00 1.09 H new ATOM 0 HA2 GLY A 11 13.292 -2.235 -2.122 1.00 1.20 H new ATOM 0 HA3 GLY A 11 12.674 -2.145 -3.759 1.00 1.20 H new ATOM 166 N MET A 12 10.821 -0.908 -1.301 1.00 1.44 N ATOM 167 CA MET A 12 10.232 0.302 -0.751 1.00 1.73 C ATOM 168 C MET A 12 11.316 1.280 -0.287 1.00 2.01 C ATOM 169 O MET A 12 11.214 2.484 -0.525 1.00 2.72 O ATOM 170 CB MET A 12 9.213 -0.008 0.357 1.00 2.27 C ATOM 171 CG MET A 12 9.710 -0.769 1.600 1.00 2.47 C ATOM 172 SD MET A 12 9.904 -2.565 1.433 1.00 3.98 S ATOM 173 CE MET A 12 11.701 -2.780 1.372 1.00 4.96 C ATOM 0 H MET A 12 10.556 -1.762 -0.810 1.00 1.44 H new ATOM 0 HA MET A 12 9.675 0.792 -1.550 1.00 1.73 H new ATOM 0 HB2 MET A 12 8.785 0.937 0.692 1.00 2.27 H new ATOM 0 HB3 MET A 12 8.402 -0.585 -0.087 1.00 2.27 H new ATOM 0 HG2 MET A 12 10.672 -0.349 1.894 1.00 2.47 H new ATOM 0 HG3 MET A 12 9.015 -0.576 2.417 1.00 2.47 H new ATOM 0 HE1 MET A 12 11.938 -3.842 1.306 1.00 4.96 H new ATOM 0 HE2 MET A 12 12.100 -2.264 0.498 1.00 4.96 H new ATOM 0 HE3 MET A 12 12.148 -2.363 2.275 1.00 4.96 H new ATOM 183 N THR A 13 12.356 0.750 0.367 1.00 2.24 N ATOM 184 CA THR A 13 13.511 1.466 0.895 1.00 3.19 C ATOM 185 C THR A 13 14.412 1.966 -0.238 1.00 2.46 C ATOM 186 O THR A 13 15.575 1.580 -0.330 1.00 3.07 O ATOM 187 CB THR A 13 14.242 0.539 1.884 1.00 4.43 C ATOM 188 OG1 THR A 13 13.272 -0.153 2.652 1.00 5.53 O ATOM 189 CG2 THR A 13 15.168 1.315 2.826 1.00 5.47 C ATOM 0 H THR A 13 12.412 -0.252 0.550 1.00 2.24 H new ATOM 0 HA THR A 13 13.195 2.361 1.432 1.00 3.19 H new ATOM 0 HB THR A 13 14.860 -0.152 1.311 1.00 4.43 H new ATOM 0 HG1 THR A 13 13.722 -0.750 3.286 1.00 5.53 H new ATOM 0 HG21 THR A 13 15.662 0.620 3.505 1.00 5.47 H new ATOM 0 HG22 THR A 13 15.919 1.847 2.242 1.00 5.47 H new ATOM 0 HG23 THR A 13 14.583 2.032 3.403 1.00 5.47 H new ATOM 197 N CYS A 14 13.861 2.824 -1.097 1.00 1.57 N ATOM 198 CA CYS A 14 14.574 3.509 -2.164 1.00 1.03 C ATOM 199 C CYS A 14 14.595 5.010 -1.836 1.00 1.17 C ATOM 200 O CYS A 14 14.231 5.393 -0.723 1.00 2.15 O ATOM 201 CB CYS A 14 13.889 3.198 -3.500 1.00 1.16 C ATOM 202 SG CYS A 14 15.075 3.379 -4.854 1.00 2.19 S ATOM 0 H CYS A 14 12.871 3.066 -1.064 1.00 1.57 H new ATOM 0 HA CYS A 14 15.606 3.170 -2.249 1.00 1.03 H new ATOM 0 HB2 CYS A 14 13.490 2.184 -3.487 1.00 1.16 H new ATOM 0 HB3 CYS A 14 13.045 3.871 -3.652 1.00 1.16 H new ATOM 0 HG CYS A 14 14.489 3.112 -5.983 1.00 2.19 H new ATOM 208 N ALA A 15 14.978 5.884 -2.774 1.00 1.69 N ATOM 209 CA ALA A 15 14.999 7.328 -2.572 1.00 2.24 C ATOM 210 C ALA A 15 13.572 7.884 -2.462 1.00 2.06 C ATOM 211 O ALA A 15 13.056 8.486 -3.398 1.00 3.43 O ATOM 212 CB ALA A 15 15.787 7.989 -3.708 1.00 2.93 C ATOM 0 H ALA A 15 15.285 5.600 -3.704 1.00 1.69 H new ATOM 0 HA ALA A 15 15.499 7.557 -1.631 1.00 2.24 H new ATOM 0 HB1 ALA A 15 15.804 9.069 -3.559 1.00 2.93 H new ATOM 0 HB2 ALA A 15 16.808 7.607 -3.713 1.00 2.93 H new ATOM 0 HB3 ALA A 15 15.310 7.762 -4.662 1.00 2.93 H new ATOM 218 N SER A 16 12.945 7.690 -1.300 1.00 0.94 N ATOM 219 CA SER A 16 11.617 8.193 -0.965 1.00 0.92 C ATOM 220 C SER A 16 10.532 7.633 -1.887 1.00 1.01 C ATOM 221 O SER A 16 9.594 8.344 -2.238 1.00 1.86 O ATOM 222 CB SER A 16 11.612 9.728 -0.953 1.00 1.31 C ATOM 223 OG SER A 16 12.659 10.210 -0.131 1.00 1.60 O ATOM 0 H SER A 16 13.367 7.157 -0.539 1.00 0.94 H new ATOM 0 HA SER A 16 11.376 7.841 0.038 1.00 0.92 H new ATOM 0 HB2 SER A 16 11.731 10.108 -1.968 1.00 1.31 H new ATOM 0 HB3 SER A 16 10.653 10.094 -0.586 1.00 1.31 H new ATOM 0 HG SER A 16 12.650 11.190 -0.130 1.00 1.60 H new ATOM 229 N CYS A 17 10.624 6.350 -2.251 1.00 0.83 N ATOM 230 CA CYS A 17 9.592 5.720 -3.071 1.00 0.88 C ATOM 231 C CYS A 17 8.276 5.642 -2.294 1.00 0.76 C ATOM 232 O CYS A 17 7.253 6.164 -2.745 1.00 0.80 O ATOM 233 CB CYS A 17 10.031 4.334 -3.549 1.00 0.96 C ATOM 234 SG CYS A 17 8.640 3.589 -4.437 1.00 2.19 S ATOM 0 H CYS A 17 11.396 5.735 -1.992 1.00 0.83 H new ATOM 0 HA CYS A 17 9.436 6.335 -3.957 1.00 0.88 H new ATOM 0 HB2 CYS A 17 10.902 4.412 -4.200 1.00 0.96 H new ATOM 0 HB3 CYS A 17 10.321 3.712 -2.702 1.00 0.96 H new ATOM 0 HG CYS A 17 9.091 2.816 -5.379 1.00 2.19 H new ATOM 240 N VAL A 18 8.311 5.016 -1.109 1.00 0.68 N ATOM 241 CA VAL A 18 7.112 4.779 -0.309 1.00 0.61 C ATOM 242 C VAL A 18 6.321 6.067 -0.131 1.00 0.57 C ATOM 243 O VAL A 18 5.110 6.067 -0.295 1.00 0.58 O ATOM 244 CB VAL A 18 7.447 4.109 1.040 1.00 0.60 C ATOM 245 CG1 VAL A 18 7.702 5.074 2.209 1.00 1.69 C ATOM 246 CG2 VAL A 18 6.324 3.147 1.442 1.00 1.70 C ATOM 0 H VAL A 18 9.169 4.663 -0.684 1.00 0.68 H new ATOM 0 HA VAL A 18 6.479 4.077 -0.851 1.00 0.61 H new ATOM 0 HB VAL A 18 8.388 3.588 0.862 1.00 0.60 H new ATOM 0 HG11 VAL A 18 7.928 4.503 3.109 1.00 1.69 H new ATOM 0 HG12 VAL A 18 8.545 5.722 1.969 1.00 1.69 H new ATOM 0 HG13 VAL A 18 6.814 5.682 2.379 1.00 1.69 H new ATOM 0 HG21 VAL A 18 6.570 2.679 2.395 1.00 1.70 H new ATOM 0 HG22 VAL A 18 5.389 3.699 1.539 1.00 1.70 H new ATOM 0 HG23 VAL A 18 6.213 2.378 0.678 1.00 1.70 H new ATOM 256 N ALA A 19 7.029 7.161 0.159 1.00 0.62 N ATOM 257 CA ALA A 19 6.467 8.491 0.364 1.00 0.64 C ATOM 258 C ALA A 19 5.443 8.876 -0.713 1.00 0.62 C ATOM 259 O ALA A 19 4.426 9.499 -0.407 1.00 0.63 O ATOM 260 CB ALA A 19 7.597 9.522 0.418 1.00 0.74 C ATOM 0 H ALA A 19 8.044 7.141 0.260 1.00 0.62 H new ATOM 0 HA ALA A 19 5.930 8.476 1.313 1.00 0.64 H new ATOM 0 HB1 ALA A 19 7.176 10.516 0.571 1.00 0.74 H new ATOM 0 HB2 ALA A 19 8.270 9.282 1.242 1.00 0.74 H new ATOM 0 HB3 ALA A 19 8.151 9.504 -0.520 1.00 0.74 H new ATOM 266 N ASN A 20 5.701 8.510 -1.973 1.00 0.64 N ATOM 267 CA ASN A 20 4.756 8.773 -3.052 1.00 0.65 C ATOM 268 C ASN A 20 3.487 7.952 -2.820 1.00 0.58 C ATOM 269 O ASN A 20 2.384 8.490 -2.727 1.00 0.60 O ATOM 270 CB ASN A 20 5.399 8.437 -4.403 1.00 0.72 C ATOM 271 CG ASN A 20 4.481 8.791 -5.570 1.00 0.75 C ATOM 272 OD1 ASN A 20 3.898 9.867 -5.607 1.00 1.01 O ATOM 273 ND2 ASN A 20 4.347 7.901 -6.551 1.00 1.25 N ATOM 0 H ASN A 20 6.554 8.033 -2.265 1.00 0.64 H new ATOM 0 HA ASN A 20 4.488 9.829 -3.064 1.00 0.65 H new ATOM 0 HB2 ASN A 20 6.340 8.979 -4.503 1.00 0.72 H new ATOM 0 HB3 ASN A 20 5.638 7.374 -4.438 1.00 0.72 H new ATOM 0 HD21 ASN A 20 3.750 8.110 -7.351 1.00 1.25 H new ATOM 0 HD22 ASN A 20 4.841 7.010 -6.502 1.00 1.25 H new ATOM 280 N ILE A 21 3.664 6.634 -2.693 1.00 0.54 N ATOM 281 CA ILE A 21 2.581 5.694 -2.452 1.00 0.53 C ATOM 282 C ILE A 21 1.758 6.091 -1.225 1.00 0.50 C ATOM 283 O ILE A 21 0.531 5.998 -1.267 1.00 0.59 O ATOM 284 CB ILE A 21 3.118 4.243 -2.425 1.00 0.58 C ATOM 285 CG1 ILE A 21 2.745 3.523 -3.731 1.00 1.00 C ATOM 286 CG2 ILE A 21 2.676 3.419 -1.213 1.00 0.96 C ATOM 287 CD1 ILE A 21 1.248 3.227 -3.865 1.00 3.65 C ATOM 0 H ILE A 21 4.580 6.190 -2.757 1.00 0.54 H new ATOM 0 HA ILE A 21 1.877 5.734 -3.283 1.00 0.53 H new ATOM 0 HB ILE A 21 4.201 4.328 -2.332 1.00 0.58 H new ATOM 0 HG12 ILE A 21 3.063 4.134 -4.576 1.00 1.00 H new ATOM 0 HG13 ILE A 21 3.298 2.586 -3.790 1.00 1.00 H new ATOM 0 HG21 ILE A 21 3.100 2.417 -1.280 1.00 0.96 H new ATOM 0 HG22 ILE A 21 3.024 3.900 -0.299 1.00 0.96 H new ATOM 0 HG23 ILE A 21 1.588 3.352 -1.196 1.00 0.96 H new ATOM 0 HD11 ILE A 21 1.061 2.718 -4.811 1.00 3.65 H new ATOM 0 HD12 ILE A 21 0.928 2.590 -3.041 1.00 3.65 H new ATOM 0 HD13 ILE A 21 0.688 4.162 -3.839 1.00 3.65 H new ATOM 299 N GLU A 22 2.423 6.560 -0.163 1.00 0.47 N ATOM 300 CA GLU A 22 1.784 7.097 1.019 1.00 0.49 C ATOM 301 C GLU A 22 0.745 8.126 0.600 1.00 0.55 C ATOM 302 O GLU A 22 -0.429 7.807 0.554 1.00 0.79 O ATOM 303 CB GLU A 22 2.802 7.667 2.014 1.00 0.52 C ATOM 304 CG GLU A 22 3.493 6.584 2.860 1.00 0.50 C ATOM 305 CD GLU A 22 3.916 7.136 4.215 1.00 1.01 C ATOM 306 OE1 GLU A 22 3.059 7.809 4.833 1.00 2.59 O ATOM 307 OE2 GLU A 22 5.073 6.886 4.611 1.00 1.45 O ATOM 0 H GLU A 22 3.442 6.572 -0.111 1.00 0.47 H new ATOM 0 HA GLU A 22 1.280 6.289 1.548 1.00 0.49 H new ATOM 0 HB2 GLU A 22 3.559 8.230 1.468 1.00 0.52 H new ATOM 0 HB3 GLU A 22 2.298 8.370 2.677 1.00 0.52 H new ATOM 0 HG2 GLU A 22 2.816 5.742 3.002 1.00 0.50 H new ATOM 0 HG3 GLU A 22 4.366 6.205 2.329 1.00 0.50 H new ATOM 314 N ARG A 23 1.148 9.348 0.273 1.00 0.54 N ATOM 315 CA ARG A 23 0.276 10.389 -0.258 1.00 0.64 C ATOM 316 C ARG A 23 -0.781 9.844 -1.230 1.00 0.68 C ATOM 317 O ARG A 23 -1.948 10.221 -1.118 1.00 0.92 O ATOM 318 CB ARG A 23 1.105 11.503 -0.923 1.00 0.79 C ATOM 319 CG ARG A 23 1.127 12.806 -0.111 1.00 1.30 C ATOM 320 CD ARG A 23 -0.267 13.444 0.014 1.00 2.07 C ATOM 321 NE ARG A 23 -0.176 14.874 0.351 1.00 2.95 N ATOM 322 CZ ARG A 23 -1.229 15.692 0.528 1.00 4.23 C ATOM 323 NH1 ARG A 23 -2.470 15.192 0.509 1.00 5.15 N ATOM 324 NH2 ARG A 23 -1.037 17.002 0.718 1.00 5.14 N ATOM 0 H ARG A 23 2.117 9.651 0.373 1.00 0.54 H new ATOM 0 HA ARG A 23 -0.267 10.807 0.590 1.00 0.64 H new ATOM 0 HB2 ARG A 23 2.127 11.152 -1.063 1.00 0.79 H new ATOM 0 HB3 ARG A 23 0.700 11.707 -1.914 1.00 0.79 H new ATOM 0 HG2 ARG A 23 1.521 12.603 0.885 1.00 1.30 H new ATOM 0 HG3 ARG A 23 1.806 13.514 -0.585 1.00 1.30 H new ATOM 0 HD2 ARG A 23 -0.809 13.324 -0.924 1.00 2.07 H new ATOM 0 HD3 ARG A 23 -0.839 12.924 0.782 1.00 2.07 H new ATOM 0 HE ARG A 23 0.756 15.275 0.458 1.00 2.95 H new ATOM 0 HH11 ARG A 23 -2.615 14.193 0.361 1.00 5.15 H new ATOM 0 HH12 ARG A 23 -3.271 15.809 0.643 1.00 5.15 H new ATOM 0 HH21 ARG A 23 -0.091 17.382 0.729 1.00 5.14 H new ATOM 0 HH22 ARG A 23 -1.837 17.621 0.852 1.00 5.14 H new ATOM 338 N ASN A 24 -0.387 8.975 -2.170 1.00 0.64 N ATOM 339 CA ASN A 24 -1.312 8.417 -3.153 1.00 0.75 C ATOM 340 C ASN A 24 -2.465 7.659 -2.501 1.00 0.78 C ATOM 341 O ASN A 24 -3.589 7.768 -2.982 1.00 1.14 O ATOM 342 CB ASN A 24 -0.611 7.492 -4.153 1.00 0.76 C ATOM 343 CG ASN A 24 0.433 8.204 -5.000 1.00 2.03 C ATOM 344 OD1 ASN A 24 0.391 9.419 -5.175 1.00 3.03 O ATOM 345 ND2 ASN A 24 1.385 7.448 -5.535 1.00 2.65 N ATOM 0 H ASN A 24 0.573 8.644 -2.267 1.00 0.64 H new ATOM 0 HA ASN A 24 -1.714 9.277 -3.689 1.00 0.75 H new ATOM 0 HB2 ASN A 24 -0.134 6.676 -3.610 1.00 0.76 H new ATOM 0 HB3 ASN A 24 -1.358 7.045 -4.809 1.00 0.76 H new ATOM 0 HD21 ASN A 24 2.111 7.874 -6.111 1.00 2.65 H new ATOM 0 HD22 ASN A 24 1.390 6.442 -5.369 1.00 2.65 H new ATOM 352 N LEU A 25 -2.209 6.886 -1.441 1.00 0.61 N ATOM 353 CA LEU A 25 -3.239 6.066 -0.817 1.00 0.68 C ATOM 354 C LEU A 25 -3.818 6.721 0.442 1.00 0.59 C ATOM 355 O LEU A 25 -4.989 6.518 0.733 1.00 0.86 O ATOM 356 CB LEU A 25 -2.672 4.678 -0.525 1.00 0.87 C ATOM 357 CG LEU A 25 -2.333 3.823 -1.754 1.00 1.33 C ATOM 358 CD1 LEU A 25 -1.737 2.504 -1.248 1.00 1.76 C ATOM 359 CD2 LEU A 25 -3.561 3.529 -2.617 1.00 2.83 C ATOM 0 H LEU A 25 -1.292 6.815 -1.000 1.00 0.61 H new ATOM 0 HA LEU A 25 -4.073 5.969 -1.512 1.00 0.68 H new ATOM 0 HB2 LEU A 25 -1.769 4.794 0.074 1.00 0.87 H new ATOM 0 HB3 LEU A 25 -3.392 4.133 0.086 1.00 0.87 H new ATOM 0 HG LEU A 25 -1.630 4.371 -2.381 1.00 1.33 H new ATOM 0 HD11 LEU A 25 -1.484 1.870 -2.097 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -0.837 2.710 -0.668 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -2.466 1.993 -0.618 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -3.267 2.921 -3.473 1.00 2.83 H new ATOM 0 HD22 LEU A 25 -4.301 2.989 -2.026 1.00 2.83 H new ATOM 0 HD23 LEU A 25 -3.992 4.467 -2.968 1.00 2.83 H new ATOM 371 N ARG A 26 -3.050 7.541 1.172 1.00 0.54 N ATOM 372 CA ARG A 26 -3.501 8.278 2.354 1.00 0.62 C ATOM 373 C ARG A 26 -4.822 8.999 2.035 1.00 0.98 C ATOM 374 O ARG A 26 -5.698 9.118 2.886 1.00 1.28 O ATOM 375 CB ARG A 26 -2.451 9.288 2.870 1.00 1.08 C ATOM 376 CG ARG A 26 -1.363 8.577 3.690 1.00 3.14 C ATOM 377 CD ARG A 26 -0.394 9.481 4.475 1.00 4.37 C ATOM 378 NE ARG A 26 -0.658 9.404 5.927 1.00 5.47 N ATOM 379 CZ ARG A 26 0.073 8.778 6.874 1.00 7.33 C ATOM 380 NH1 ARG A 26 1.273 8.243 6.632 1.00 8.47 N ATOM 381 NH2 ARG A 26 -0.423 8.676 8.114 1.00 8.35 N ATOM 0 H ARG A 26 -2.070 7.713 0.948 1.00 0.54 H new ATOM 0 HA ARG A 26 -3.652 7.552 3.153 1.00 0.62 H new ATOM 0 HB2 ARG A 26 -1.995 9.808 2.027 1.00 1.08 H new ATOM 0 HB3 ARG A 26 -2.939 10.044 3.485 1.00 1.08 H new ATOM 0 HG2 ARG A 26 -1.852 7.906 4.396 1.00 3.14 H new ATOM 0 HG3 ARG A 26 -0.777 7.955 3.013 1.00 3.14 H new ATOM 0 HD2 ARG A 26 0.634 9.181 4.272 1.00 4.37 H new ATOM 0 HD3 ARG A 26 -0.498 10.512 4.137 1.00 4.37 H new ATOM 0 HE ARG A 26 -1.497 9.883 6.254 1.00 5.47 H new ATOM 0 HH11 ARG A 26 1.676 8.297 5.697 1.00 8.47 H new ATOM 0 HH12 ARG A 26 1.786 7.780 7.383 1.00 8.47 H new ATOM 0 HH21 ARG A 26 -1.339 9.068 8.331 1.00 8.35 H new ATOM 0 HH22 ARG A 26 0.116 8.206 8.842 1.00 8.35 H new ATOM 395 N ARG A 27 -4.927 9.499 0.797 1.00 1.41 N ATOM 396 CA ARG A 27 -6.071 10.226 0.255 1.00 2.10 C ATOM 397 C ARG A 27 -7.215 9.337 -0.265 1.00 1.64 C ATOM 398 O ARG A 27 -8.298 9.867 -0.500 1.00 2.44 O ATOM 399 CB ARG A 27 -5.585 11.164 -0.866 1.00 3.02 C ATOM 400 CG ARG A 27 -5.089 10.373 -2.088 1.00 4.15 C ATOM 401 CD ARG A 27 -4.341 11.213 -3.125 1.00 5.85 C ATOM 402 NE ARG A 27 -5.256 12.044 -3.920 1.00 6.18 N ATOM 403 CZ ARG A 27 -4.947 12.585 -5.110 1.00 7.74 C ATOM 404 NH1 ARG A 27 -3.700 12.479 -5.587 1.00 9.16 N ATOM 405 NH2 ARG A 27 -5.882 13.229 -5.816 1.00 8.30 N ATOM 0 H ARG A 27 -4.175 9.400 0.115 1.00 1.41 H new ATOM 0 HA ARG A 27 -6.498 10.785 1.087 1.00 2.10 H new ATOM 0 HB2 ARG A 27 -6.397 11.826 -1.165 1.00 3.02 H new ATOM 0 HB3 ARG A 27 -4.781 11.796 -0.490 1.00 3.02 H new ATOM 0 HG2 ARG A 27 -4.433 9.573 -1.745 1.00 4.15 H new ATOM 0 HG3 ARG A 27 -5.944 9.900 -2.570 1.00 4.15 H new ATOM 0 HD2 ARG A 27 -3.616 11.852 -2.620 1.00 5.85 H new ATOM 0 HD3 ARG A 27 -3.779 10.555 -3.788 1.00 5.85 H new ATOM 0 HE ARG A 27 -6.187 12.222 -3.543 1.00 6.18 H new ATOM 0 HH11 ARG A 27 -2.987 11.988 -5.047 1.00 9.16 H new ATOM 0 HH12 ARG A 27 -3.463 12.889 -6.490 1.00 9.16 H new ATOM 0 HH21 ARG A 27 -6.831 13.310 -5.451 1.00 8.30 H new ATOM 0 HH22 ARG A 27 -5.646 13.639 -6.720 1.00 8.30 H new ATOM 419 N GLU A 28 -6.996 8.044 -0.536 1.00 0.83 N ATOM 420 CA GLU A 28 -7.999 7.232 -1.224 1.00 0.87 C ATOM 421 C GLU A 28 -9.264 7.060 -0.376 1.00 1.24 C ATOM 422 O GLU A 28 -9.196 6.681 0.796 1.00 1.96 O ATOM 423 CB GLU A 28 -7.460 5.848 -1.626 1.00 0.86 C ATOM 424 CG GLU A 28 -6.896 5.762 -3.053 1.00 1.26 C ATOM 425 CD GLU A 28 -7.169 4.375 -3.632 1.00 1.59 C ATOM 426 OE1 GLU A 28 -6.640 3.404 -3.050 1.00 2.27 O ATOM 427 OE2 GLU A 28 -7.968 4.308 -4.591 1.00 2.38 O ATOM 0 H GLU A 28 -6.141 7.545 -0.291 1.00 0.83 H new ATOM 0 HA GLU A 28 -8.251 7.777 -2.134 1.00 0.87 H new ATOM 0 HB2 GLU A 28 -6.677 5.561 -0.924 1.00 0.86 H new ATOM 0 HB3 GLU A 28 -8.263 5.118 -1.524 1.00 0.86 H new ATOM 0 HG2 GLU A 28 -7.354 6.526 -3.682 1.00 1.26 H new ATOM 0 HG3 GLU A 28 -5.824 5.958 -3.043 1.00 1.26 H new ATOM 434 N GLU A 29 -10.422 7.279 -1.003 1.00 1.51 N ATOM 435 CA GLU A 29 -11.741 7.184 -0.398 1.00 1.80 C ATOM 436 C GLU A 29 -12.058 5.741 0.011 1.00 1.32 C ATOM 437 O GLU A 29 -12.787 5.027 -0.673 1.00 1.36 O ATOM 438 CB GLU A 29 -12.777 7.742 -1.381 1.00 2.54 C ATOM 439 CG GLU A 29 -12.501 9.218 -1.705 1.00 3.33 C ATOM 440 CD GLU A 29 -13.575 9.800 -2.615 1.00 3.72 C ATOM 441 OE1 GLU A 29 -14.759 9.696 -2.228 1.00 4.15 O ATOM 442 OE2 GLU A 29 -13.191 10.335 -3.675 1.00 4.32 O ATOM 0 H GLU A 29 -10.461 7.538 -1.989 1.00 1.51 H new ATOM 0 HA GLU A 29 -11.769 7.776 0.516 1.00 1.80 H new ATOM 0 HB2 GLU A 29 -12.761 7.157 -2.300 1.00 2.54 H new ATOM 0 HB3 GLU A 29 -13.776 7.641 -0.956 1.00 2.54 H new ATOM 0 HG2 GLU A 29 -12.456 9.792 -0.780 1.00 3.33 H new ATOM 0 HG3 GLU A 29 -11.527 9.310 -2.185 1.00 3.33 H new ATOM 449 N GLY A 30 -11.504 5.319 1.148 1.00 1.15 N ATOM 450 CA GLY A 30 -11.653 3.976 1.683 1.00 0.73 C ATOM 451 C GLY A 30 -10.402 3.536 2.440 1.00 0.58 C ATOM 452 O GLY A 30 -10.489 2.679 3.321 1.00 0.78 O ATOM 0 H GLY A 30 -10.925 5.921 1.733 1.00 1.15 H new ATOM 0 HA2 GLY A 30 -12.515 3.942 2.350 1.00 0.73 H new ATOM 0 HA3 GLY A 30 -11.852 3.279 0.869 1.00 0.73 H new ATOM 456 N ILE A 31 -9.242 4.118 2.118 1.00 0.40 N ATOM 457 CA ILE A 31 -8.051 3.928 2.923 1.00 0.36 C ATOM 458 C ILE A 31 -8.240 4.661 4.249 1.00 0.41 C ATOM 459 O ILE A 31 -8.601 5.835 4.269 1.00 0.58 O ATOM 460 CB ILE A 31 -6.815 4.425 2.157 1.00 0.44 C ATOM 461 CG1 ILE A 31 -6.495 3.507 0.963 1.00 0.66 C ATOM 462 CG2 ILE A 31 -5.597 4.559 3.083 1.00 0.65 C ATOM 463 CD1 ILE A 31 -6.147 2.070 1.358 1.00 1.40 C ATOM 0 H ILE A 31 -9.112 4.721 1.306 1.00 0.40 H new ATOM 0 HA ILE A 31 -7.892 2.870 3.133 1.00 0.36 H new ATOM 0 HB ILE A 31 -7.049 5.416 1.769 1.00 0.44 H new ATOM 0 HG12 ILE A 31 -7.353 3.490 0.291 1.00 0.66 H new ATOM 0 HG13 ILE A 31 -5.661 3.932 0.405 1.00 0.66 H new ATOM 0 HG21 ILE A 31 -4.741 4.913 2.509 1.00 0.65 H new ATOM 0 HG22 ILE A 31 -5.820 5.271 3.877 1.00 0.65 H new ATOM 0 HG23 ILE A 31 -5.364 3.588 3.521 1.00 0.65 H new ATOM 0 HD11 ILE A 31 -5.935 1.488 0.462 1.00 1.40 H new ATOM 0 HD12 ILE A 31 -5.270 2.073 2.005 1.00 1.40 H new ATOM 0 HD13 ILE A 31 -6.988 1.625 1.889 1.00 1.40 H new ATOM 475 N TYR A 32 -7.991 3.963 5.358 1.00 0.48 N ATOM 476 CA TYR A 32 -8.021 4.542 6.698 1.00 0.59 C ATOM 477 C TYR A 32 -6.609 4.837 7.204 1.00 0.62 C ATOM 478 O TYR A 32 -6.432 5.681 8.080 1.00 0.83 O ATOM 479 CB TYR A 32 -8.760 3.597 7.653 1.00 0.70 C ATOM 480 CG TYR A 32 -10.270 3.704 7.583 1.00 0.80 C ATOM 481 CD1 TYR A 32 -10.907 4.821 8.154 1.00 1.54 C ATOM 482 CD2 TYR A 32 -11.040 2.692 6.978 1.00 2.20 C ATOM 483 CE1 TYR A 32 -12.308 4.928 8.126 1.00 1.60 C ATOM 484 CE2 TYR A 32 -12.444 2.780 6.992 1.00 2.32 C ATOM 485 CZ TYR A 32 -13.075 3.909 7.537 1.00 1.18 C ATOM 486 OH TYR A 32 -14.435 3.982 7.537 1.00 1.42 O ATOM 0 H TYR A 32 -7.761 2.969 5.349 1.00 0.48 H new ATOM 0 HA TYR A 32 -8.556 5.491 6.656 1.00 0.59 H new ATOM 0 HB2 TYR A 32 -8.468 2.571 7.430 1.00 0.70 H new ATOM 0 HB3 TYR A 32 -8.439 3.805 8.674 1.00 0.70 H new ATOM 0 HD1 TYR A 32 -10.317 5.599 8.616 1.00 1.54 H new ATOM 0 HD2 TYR A 32 -10.554 1.851 6.505 1.00 2.20 H new ATOM 0 HE1 TYR A 32 -12.794 5.791 8.556 1.00 1.60 H new ATOM 0 HE2 TYR A 32 -13.038 1.976 6.582 1.00 2.32 H new ATOM 0 HH TYR A 32 -14.805 3.194 7.087 1.00 1.42 H new ATOM 496 N SER A 33 -5.602 4.110 6.718 1.00 0.51 N ATOM 497 CA SER A 33 -4.215 4.289 7.118 1.00 0.59 C ATOM 498 C SER A 33 -3.359 3.721 5.997 1.00 0.56 C ATOM 499 O SER A 33 -3.818 2.813 5.315 1.00 0.55 O ATOM 500 CB SER A 33 -3.970 3.525 8.424 1.00 0.78 C ATOM 501 OG SER A 33 -2.761 3.918 9.038 1.00 1.06 O ATOM 0 H SER A 33 -5.734 3.372 6.027 1.00 0.51 H new ATOM 0 HA SER A 33 -3.972 5.338 7.287 1.00 0.59 H new ATOM 0 HB2 SER A 33 -4.800 3.699 9.109 1.00 0.78 H new ATOM 0 HB3 SER A 33 -3.944 2.455 8.220 1.00 0.78 H new ATOM 0 HG SER A 33 -2.637 3.413 9.869 1.00 1.06 H new ATOM 507 N ILE A 34 -2.150 4.236 5.792 1.00 0.66 N ATOM 508 CA ILE A 34 -1.294 3.825 4.690 1.00 0.78 C ATOM 509 C ILE A 34 -0.080 3.032 5.181 1.00 0.55 C ATOM 510 O ILE A 34 0.245 3.037 6.367 1.00 0.48 O ATOM 511 CB ILE A 34 -0.928 5.089 3.902 1.00 1.09 C ATOM 512 CG1 ILE A 34 -1.040 4.909 2.388 1.00 3.52 C ATOM 513 CG2 ILE A 34 0.388 5.737 4.351 1.00 1.89 C ATOM 514 CD1 ILE A 34 0.024 4.029 1.736 1.00 4.83 C ATOM 0 H ILE A 34 -1.737 4.953 6.389 1.00 0.66 H new ATOM 0 HA ILE A 34 -1.814 3.134 4.027 1.00 0.78 H new ATOM 0 HB ILE A 34 -1.695 5.819 4.160 1.00 1.09 H new ATOM 0 HG12 ILE A 34 -2.019 4.486 2.164 1.00 3.52 H new ATOM 0 HG13 ILE A 34 -1.004 5.894 1.922 1.00 3.52 H new ATOM 0 HG21 ILE A 34 0.580 6.625 3.749 1.00 1.89 H new ATOM 0 HG22 ILE A 34 0.315 6.020 5.401 1.00 1.89 H new ATOM 0 HG23 ILE A 34 1.205 5.027 4.223 1.00 1.89 H new ATOM 0 HD11 ILE A 34 -0.157 3.974 0.662 1.00 4.83 H new ATOM 0 HD12 ILE A 34 1.010 4.456 1.917 1.00 4.83 H new ATOM 0 HD13 ILE A 34 -0.021 3.027 2.163 1.00 4.83 H new ATOM 526 N LEU A 35 0.610 2.387 4.240 1.00 0.62 N ATOM 527 CA LEU A 35 1.710 1.491 4.463 1.00 0.56 C ATOM 528 C LEU A 35 3.018 2.216 4.732 1.00 0.54 C ATOM 529 O LEU A 35 3.457 3.064 3.962 1.00 0.78 O ATOM 530 CB LEU A 35 1.875 0.570 3.251 1.00 0.63 C ATOM 531 CG LEU A 35 2.159 1.224 1.882 1.00 0.70 C ATOM 532 CD1 LEU A 35 3.605 1.012 1.418 1.00 1.46 C ATOM 533 CD2 LEU A 35 1.202 0.654 0.824 1.00 1.90 C ATOM 0 H LEU A 35 0.392 2.492 3.249 1.00 0.62 H new ATOM 0 HA LEU A 35 1.475 0.912 5.356 1.00 0.56 H new ATOM 0 HB2 LEU A 35 2.688 -0.123 3.466 1.00 0.63 H new ATOM 0 HB3 LEU A 35 0.966 -0.024 3.156 1.00 0.63 H new ATOM 0 HG LEU A 35 2.003 2.296 2.002 1.00 0.70 H new ATOM 0 HD11 LEU A 35 3.751 1.492 0.450 1.00 1.46 H new ATOM 0 HD12 LEU A 35 4.289 1.449 2.146 1.00 1.46 H new ATOM 0 HD13 LEU A 35 3.805 -0.056 1.327 1.00 1.46 H new ATOM 0 HD21 LEU A 35 1.407 1.119 -0.140 1.00 1.90 H new ATOM 0 HD22 LEU A 35 1.347 -0.423 0.745 1.00 1.90 H new ATOM 0 HD23 LEU A 35 0.172 0.861 1.115 1.00 1.90 H new ATOM 545 N VAL A 36 3.638 1.830 5.845 1.00 0.38 N ATOM 546 CA VAL A 36 4.861 2.404 6.347 1.00 0.35 C ATOM 547 C VAL A 36 5.554 1.389 7.265 1.00 0.35 C ATOM 548 O VAL A 36 5.294 1.346 8.463 1.00 0.51 O ATOM 549 CB VAL A 36 4.515 3.735 7.038 1.00 0.51 C ATOM 550 CG1 VAL A 36 3.445 3.587 8.137 1.00 0.58 C ATOM 551 CG2 VAL A 36 5.784 4.396 7.579 1.00 0.65 C ATOM 0 H VAL A 36 3.280 1.080 6.436 1.00 0.38 H new ATOM 0 HA VAL A 36 5.570 2.627 5.550 1.00 0.35 H new ATOM 0 HB VAL A 36 4.074 4.383 6.281 1.00 0.51 H new ATOM 0 HG11 VAL A 36 3.246 4.561 8.585 1.00 0.58 H new ATOM 0 HG12 VAL A 36 2.527 3.194 7.700 1.00 0.58 H new ATOM 0 HG13 VAL A 36 3.804 2.901 8.904 1.00 0.58 H new ATOM 0 HG21 VAL A 36 5.525 5.337 8.065 1.00 0.65 H new ATOM 0 HG22 VAL A 36 6.260 3.733 8.301 1.00 0.65 H new ATOM 0 HG23 VAL A 36 6.472 4.590 6.756 1.00 0.65 H new ATOM 561 N ALA A 37 6.456 0.565 6.729 1.00 0.34 N ATOM 562 CA ALA A 37 7.399 -0.168 7.570 1.00 0.45 C ATOM 563 C ALA A 37 8.754 -0.241 6.869 1.00 0.60 C ATOM 564 O ALA A 37 9.425 -1.275 6.876 1.00 0.71 O ATOM 565 CB ALA A 37 6.834 -1.532 7.976 1.00 0.39 C ATOM 0 H ALA A 37 6.552 0.391 5.729 1.00 0.34 H new ATOM 0 HA ALA A 37 7.554 0.365 8.508 1.00 0.45 H new ATOM 0 HB1 ALA A 37 7.558 -2.054 8.601 1.00 0.39 H new ATOM 0 HB2 ALA A 37 5.908 -1.391 8.534 1.00 0.39 H new ATOM 0 HB3 ALA A 37 6.633 -2.123 7.083 1.00 0.39 H new ATOM 571 N LEU A 38 9.153 0.899 6.289 1.00 0.64 N ATOM 572 CA LEU A 38 10.424 1.110 5.602 1.00 0.73 C ATOM 573 C LEU A 38 11.599 0.747 6.514 1.00 0.81 C ATOM 574 O LEU A 38 12.620 0.257 6.040 1.00 0.90 O ATOM 575 CB LEU A 38 10.513 2.580 5.157 1.00 0.83 C ATOM 576 CG LEU A 38 11.475 2.788 3.971 1.00 0.80 C ATOM 577 CD1 LEU A 38 10.684 3.241 2.740 1.00 1.15 C ATOM 578 CD2 LEU A 38 12.536 3.848 4.285 1.00 1.56 C ATOM 0 H LEU A 38 8.568 1.735 6.289 1.00 0.64 H new ATOM 0 HA LEU A 38 10.475 0.463 4.726 1.00 0.73 H new ATOM 0 HB2 LEU A 38 9.519 2.931 4.879 1.00 0.83 H new ATOM 0 HB3 LEU A 38 10.843 3.190 5.998 1.00 0.83 H new ATOM 0 HG LEU A 38 11.974 1.838 3.781 1.00 0.80 H new ATOM 0 HD11 LEU A 38 11.366 3.387 1.903 1.00 1.15 H new ATOM 0 HD12 LEU A 38 9.948 2.480 2.480 1.00 1.15 H new ATOM 0 HD13 LEU A 38 10.174 4.179 2.960 1.00 1.15 H new ATOM 0 HD21 LEU A 38 13.196 3.968 3.426 1.00 1.56 H new ATOM 0 HD22 LEU A 38 12.048 4.798 4.503 1.00 1.56 H new ATOM 0 HD23 LEU A 38 13.120 3.533 5.150 1.00 1.56 H new ATOM 590 N MET A 39 11.414 0.970 7.825 1.00 0.83 N ATOM 591 CA MET A 39 12.302 0.565 8.910 1.00 0.94 C ATOM 592 C MET A 39 12.944 -0.802 8.654 1.00 0.91 C ATOM 593 O MET A 39 14.132 -0.980 8.905 1.00 0.99 O ATOM 594 CB MET A 39 11.503 0.503 10.223 1.00 0.94 C ATOM 595 CG MET A 39 11.111 1.877 10.777 1.00 2.43 C ATOM 596 SD MET A 39 10.219 1.790 12.353 1.00 3.35 S ATOM 597 CE MET A 39 10.071 3.545 12.753 1.00 4.69 C ATOM 0 H MET A 39 10.592 1.467 8.168 1.00 0.83 H new ATOM 0 HA MET A 39 13.101 1.304 8.974 1.00 0.94 H new ATOM 0 HB2 MET A 39 10.599 -0.083 10.059 1.00 0.94 H new ATOM 0 HB3 MET A 39 12.094 -0.025 10.972 1.00 0.94 H new ATOM 0 HG2 MET A 39 12.011 2.477 10.910 1.00 2.43 H new ATOM 0 HG3 MET A 39 10.490 2.392 10.044 1.00 2.43 H new ATOM 0 HE1 MET A 39 9.543 3.659 13.700 1.00 4.69 H new ATOM 0 HE2 MET A 39 11.065 3.984 12.837 1.00 4.69 H new ATOM 0 HE3 MET A 39 9.516 4.052 11.964 1.00 4.69 H new ATOM 607 N ALA A 40 12.138 -1.767 8.201 1.00 0.87 N ATOM 608 CA ALA A 40 12.577 -3.134 7.953 1.00 0.95 C ATOM 609 C ALA A 40 12.342 -3.528 6.496 1.00 0.92 C ATOM 610 O ALA A 40 13.220 -4.111 5.865 1.00 1.07 O ATOM 611 CB ALA A 40 11.837 -4.067 8.909 1.00 1.03 C ATOM 0 H ALA A 40 11.151 -1.614 7.995 1.00 0.87 H new ATOM 0 HA ALA A 40 13.649 -3.213 8.133 1.00 0.95 H new ATOM 0 HB1 ALA A 40 12.156 -5.095 8.734 1.00 1.03 H new ATOM 0 HB2 ALA A 40 12.062 -3.787 9.938 1.00 1.03 H new ATOM 0 HB3 ALA A 40 10.764 -3.986 8.738 1.00 1.03 H new ATOM 617 N GLY A 41 11.151 -3.227 5.973 1.00 0.85 N ATOM 618 CA GLY A 41 10.800 -3.419 4.575 1.00 0.86 C ATOM 619 C GLY A 41 9.486 -4.182 4.427 1.00 0.81 C ATOM 620 O GLY A 41 9.437 -5.218 3.761 1.00 0.95 O ATOM 0 H GLY A 41 10.390 -2.834 6.528 1.00 0.85 H new ATOM 0 HA2 GLY A 41 10.716 -2.450 4.084 1.00 0.86 H new ATOM 0 HA3 GLY A 41 11.597 -3.964 4.070 1.00 0.86 H new ATOM 624 N LYS A 42 8.425 -3.671 5.058 1.00 0.68 N ATOM 625 CA LYS A 42 7.046 -4.129 4.895 1.00 0.56 C ATOM 626 C LYS A 42 6.155 -2.894 4.736 1.00 0.46 C ATOM 627 O LYS A 42 6.651 -1.764 4.757 1.00 0.47 O ATOM 628 CB LYS A 42 6.594 -5.006 6.075 1.00 0.58 C ATOM 629 CG LYS A 42 7.320 -6.357 6.120 1.00 0.76 C ATOM 630 CD LYS A 42 7.720 -6.759 7.544 1.00 1.54 C ATOM 631 CE LYS A 42 8.756 -5.792 8.134 1.00 2.34 C ATOM 632 NZ LYS A 42 9.424 -6.379 9.316 1.00 3.36 N ATOM 0 H LYS A 42 8.508 -2.899 5.720 1.00 0.68 H new ATOM 0 HA LYS A 42 6.969 -4.758 4.008 1.00 0.56 H new ATOM 0 HB2 LYS A 42 6.771 -4.472 7.008 1.00 0.58 H new ATOM 0 HB3 LYS A 42 5.520 -5.177 6.005 1.00 0.58 H new ATOM 0 HG2 LYS A 42 6.676 -7.127 5.696 1.00 0.76 H new ATOM 0 HG3 LYS A 42 8.212 -6.308 5.495 1.00 0.76 H new ATOM 0 HD2 LYS A 42 6.835 -6.777 8.180 1.00 1.54 H new ATOM 0 HD3 LYS A 42 8.128 -7.770 7.536 1.00 1.54 H new ATOM 0 HE2 LYS A 42 9.501 -5.547 7.377 1.00 2.34 H new ATOM 0 HE3 LYS A 42 8.268 -4.859 8.415 1.00 2.34 H new ATOM 0 HZ1 LYS A 42 9.865 -5.622 9.877 1.00 3.36 H new ATOM 0 HZ2 LYS A 42 8.722 -6.879 9.899 1.00 3.36 H new ATOM 0 HZ3 LYS A 42 10.155 -7.049 9.004 1.00 3.36 H new ATOM 646 N ALA A 43 4.855 -3.114 4.540 1.00 0.40 N ATOM 647 CA ALA A 43 3.910 -2.104 4.132 1.00 0.39 C ATOM 648 C ALA A 43 2.539 -2.434 4.735 1.00 0.39 C ATOM 649 O ALA A 43 1.919 -3.420 4.361 1.00 0.58 O ATOM 650 CB ALA A 43 3.898 -2.102 2.599 1.00 0.56 C ATOM 0 H ALA A 43 4.429 -4.032 4.668 1.00 0.40 H new ATOM 0 HA ALA A 43 4.178 -1.108 4.485 1.00 0.39 H new ATOM 0 HB1 ALA A 43 3.194 -1.350 2.242 1.00 0.56 H new ATOM 0 HB2 ALA A 43 4.896 -1.870 2.228 1.00 0.56 H new ATOM 0 HB3 ALA A 43 3.595 -3.084 2.236 1.00 0.56 H new ATOM 656 N GLU A 44 2.067 -1.627 5.689 1.00 0.41 N ATOM 657 CA GLU A 44 0.924 -1.970 6.530 1.00 0.49 C ATOM 658 C GLU A 44 -0.204 -0.952 6.330 1.00 0.48 C ATOM 659 O GLU A 44 -0.266 0.048 7.043 1.00 0.55 O ATOM 660 CB GLU A 44 1.409 -2.042 7.985 1.00 0.60 C ATOM 661 CG GLU A 44 0.367 -2.746 8.853 1.00 2.11 C ATOM 662 CD GLU A 44 0.788 -2.769 10.312 1.00 1.96 C ATOM 663 OE1 GLU A 44 0.428 -1.788 10.998 1.00 2.50 O ATOM 664 OE2 GLU A 44 1.443 -3.752 10.709 1.00 2.37 O ATOM 0 H GLU A 44 2.471 -0.714 5.898 1.00 0.41 H new ATOM 0 HA GLU A 44 0.511 -2.941 6.255 1.00 0.49 H new ATOM 0 HB2 GLU A 44 2.357 -2.578 8.034 1.00 0.60 H new ATOM 0 HB3 GLU A 44 1.591 -1.037 8.366 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -0.592 -2.238 8.757 1.00 2.11 H new ATOM 0 HG3 GLU A 44 0.224 -3.766 8.498 1.00 2.11 H new ATOM 671 N VAL A 45 -1.078 -1.187 5.349 1.00 0.53 N ATOM 672 CA VAL A 45 -2.128 -0.256 4.943 1.00 0.52 C ATOM 673 C VAL A 45 -3.483 -0.748 5.479 1.00 0.60 C ATOM 674 O VAL A 45 -3.659 -1.932 5.751 1.00 0.78 O ATOM 675 CB VAL A 45 -2.046 -0.015 3.416 1.00 0.60 C ATOM 676 CG1 VAL A 45 -1.594 -1.238 2.612 1.00 1.76 C ATOM 677 CG2 VAL A 45 -3.332 0.541 2.799 1.00 1.38 C ATOM 0 H VAL A 45 -1.074 -2.049 4.804 1.00 0.53 H new ATOM 0 HA VAL A 45 -1.993 0.731 5.386 1.00 0.52 H new ATOM 0 HB VAL A 45 -1.273 0.749 3.340 1.00 0.60 H new ATOM 0 HG11 VAL A 45 -1.563 -0.985 1.552 1.00 1.76 H new ATOM 0 HG12 VAL A 45 -0.601 -1.543 2.942 1.00 1.76 H new ATOM 0 HG13 VAL A 45 -2.296 -2.057 2.769 1.00 1.76 H new ATOM 0 HG21 VAL A 45 -3.190 0.681 1.727 1.00 1.38 H new ATOM 0 HG22 VAL A 45 -4.149 -0.160 2.969 1.00 1.38 H new ATOM 0 HG23 VAL A 45 -3.573 1.498 3.261 1.00 1.38 H new ATOM 687 N ARG A 46 -4.431 0.164 5.715 1.00 0.59 N ATOM 688 CA ARG A 46 -5.754 -0.126 6.251 1.00 0.61 C ATOM 689 C ARG A 46 -6.810 0.304 5.251 1.00 0.56 C ATOM 690 O ARG A 46 -6.776 1.439 4.776 1.00 0.58 O ATOM 691 CB ARG A 46 -5.970 0.563 7.601 1.00 0.67 C ATOM 692 CG ARG A 46 -7.275 0.084 8.247 1.00 0.76 C ATOM 693 CD ARG A 46 -7.519 0.785 9.585 1.00 0.92 C ATOM 694 NE ARG A 46 -8.953 0.780 9.912 1.00 2.02 N ATOM 695 CZ ARG A 46 -9.485 1.238 11.056 1.00 2.43 C ATOM 696 NH1 ARG A 46 -8.683 1.611 12.059 1.00 1.96 N ATOM 697 NH2 ARG A 46 -10.812 1.331 11.187 1.00 3.84 N ATOM 0 H ARG A 46 -4.288 1.157 5.530 1.00 0.59 H new ATOM 0 HA ARG A 46 -5.836 -1.200 6.419 1.00 0.61 H new ATOM 0 HB2 ARG A 46 -5.130 0.350 8.263 1.00 0.67 H new ATOM 0 HB3 ARG A 46 -6.001 1.644 7.463 1.00 0.67 H new ATOM 0 HG2 ARG A 46 -8.110 0.278 7.574 1.00 0.76 H new ATOM 0 HG3 ARG A 46 -7.234 -0.994 8.400 1.00 0.76 H new ATOM 0 HD2 ARG A 46 -6.958 0.283 10.373 1.00 0.92 H new ATOM 0 HD3 ARG A 46 -7.154 1.811 9.537 1.00 0.92 H new ATOM 0 HE ARG A 46 -9.593 0.399 9.215 1.00 2.02 H new ATOM 0 HH11 ARG A 46 -7.671 1.547 11.953 1.00 1.96 H new ATOM 0 HH12 ARG A 46 -9.084 1.960 12.930 1.00 1.96 H new ATOM 0 HH21 ARG A 46 -11.421 1.054 10.417 1.00 3.84 H new ATOM 0 HH22 ARG A 46 -11.215 1.679 12.057 1.00 3.84 H new ATOM 711 N TYR A 47 -7.741 -0.606 4.970 1.00 0.62 N ATOM 712 CA TYR A 47 -8.668 -0.522 3.859 1.00 0.66 C ATOM 713 C TYR A 47 -10.094 -0.731 4.364 1.00 0.55 C ATOM 714 O TYR A 47 -10.343 -0.741 5.571 1.00 0.61 O ATOM 715 CB TYR A 47 -8.241 -1.545 2.794 1.00 0.77 C ATOM 716 CG TYR A 47 -8.472 -3.009 3.144 1.00 0.69 C ATOM 717 CD1 TYR A 47 -7.703 -3.631 4.145 1.00 1.81 C ATOM 718 CD2 TYR A 47 -9.427 -3.768 2.440 1.00 1.78 C ATOM 719 CE1 TYR A 47 -7.922 -4.977 4.479 1.00 2.05 C ATOM 720 CE2 TYR A 47 -9.639 -5.119 2.774 1.00 1.73 C ATOM 721 CZ TYR A 47 -8.888 -5.723 3.794 1.00 1.11 C ATOM 722 OH TYR A 47 -9.024 -7.053 4.059 1.00 1.43 O ATOM 0 H TYR A 47 -7.869 -1.447 5.532 1.00 0.62 H new ATOM 0 HA TYR A 47 -8.649 0.464 3.395 1.00 0.66 H new ATOM 0 HB2 TYR A 47 -8.777 -1.324 1.871 1.00 0.77 H new ATOM 0 HB3 TYR A 47 -7.180 -1.404 2.588 1.00 0.77 H new ATOM 0 HD1 TYR A 47 -6.938 -3.069 4.660 1.00 1.81 H new ATOM 0 HD2 TYR A 47 -9.997 -3.313 1.643 1.00 1.78 H new ATOM 0 HE1 TYR A 47 -7.344 -5.438 5.266 1.00 2.05 H new ATOM 0 HE2 TYR A 47 -10.383 -5.693 2.243 1.00 1.73 H new ATOM 0 HH TYR A 47 -9.412 -7.171 4.951 1.00 1.43 H new ATOM 732 N ASN A 48 -11.035 -0.887 3.431 1.00 0.59 N ATOM 733 CA ASN A 48 -12.452 -0.992 3.732 1.00 0.71 C ATOM 734 C ASN A 48 -13.152 -1.797 2.634 1.00 0.81 C ATOM 735 O ASN A 48 -13.554 -1.212 1.626 1.00 0.85 O ATOM 736 CB ASN A 48 -13.040 0.418 3.852 1.00 0.92 C ATOM 737 CG ASN A 48 -14.529 0.383 4.177 1.00 1.21 C ATOM 738 OD1 ASN A 48 -15.074 -0.654 4.542 1.00 1.69 O ATOM 739 ND2 ASN A 48 -15.207 1.516 4.037 1.00 1.76 N ATOM 0 H ASN A 48 -10.825 -0.944 2.434 1.00 0.59 H new ATOM 0 HA ASN A 48 -12.602 -1.513 4.677 1.00 0.71 H new ATOM 0 HB2 ASN A 48 -12.511 0.968 4.630 1.00 0.92 H new ATOM 0 HB3 ASN A 48 -12.884 0.958 2.918 1.00 0.92 H new ATOM 0 HD21 ASN A 48 -16.207 1.539 4.235 1.00 1.76 H new ATOM 0 HD22 ASN A 48 -14.727 2.363 3.732 1.00 1.76 H new ATOM 746 N PRO A 49 -13.283 -3.126 2.772 1.00 0.90 N ATOM 747 CA PRO A 49 -13.953 -3.956 1.785 1.00 1.10 C ATOM 748 C PRO A 49 -15.466 -3.717 1.835 1.00 1.22 C ATOM 749 O PRO A 49 -16.245 -4.542 2.305 1.00 1.42 O ATOM 750 CB PRO A 49 -13.531 -5.383 2.112 1.00 1.22 C ATOM 751 CG PRO A 49 -13.298 -5.357 3.619 1.00 1.07 C ATOM 752 CD PRO A 49 -12.774 -3.938 3.867 1.00 0.89 C ATOM 0 HA PRO A 49 -13.676 -3.723 0.757 1.00 1.10 H new ATOM 0 HB2 PRO A 49 -14.304 -6.101 1.839 1.00 1.22 H new ATOM 0 HB3 PRO A 49 -12.627 -5.667 1.572 1.00 1.22 H new ATOM 0 HG2 PRO A 49 -14.217 -5.549 4.172 1.00 1.07 H new ATOM 0 HG3 PRO A 49 -12.576 -6.113 3.928 1.00 1.07 H new ATOM 0 HD2 PRO A 49 -13.119 -3.557 4.828 1.00 0.89 H new ATOM 0 HD3 PRO A 49 -11.684 -3.923 3.890 1.00 0.89 H new ATOM 760 N ALA A 50 -15.845 -2.552 1.318 1.00 1.14 N ATOM 761 CA ALA A 50 -17.187 -2.013 1.218 1.00 1.39 C ATOM 762 C ALA A 50 -17.248 -1.161 -0.056 1.00 1.37 C ATOM 763 O ALA A 50 -18.159 -1.330 -0.861 1.00 1.80 O ATOM 764 CB ALA A 50 -17.519 -1.210 2.483 1.00 1.51 C ATOM 0 H ALA A 50 -15.157 -1.909 0.926 1.00 1.14 H new ATOM 0 HA ALA A 50 -17.935 -2.803 1.148 1.00 1.39 H new ATOM 0 HB1 ALA A 50 -18.529 -0.807 2.403 1.00 1.51 H new ATOM 0 HB2 ALA A 50 -17.456 -1.862 3.355 1.00 1.51 H new ATOM 0 HB3 ALA A 50 -16.808 -0.391 2.591 1.00 1.51 H new ATOM 770 N VAL A 51 -16.256 -0.277 -0.258 1.00 0.99 N ATOM 771 CA VAL A 51 -16.098 0.525 -1.466 1.00 0.99 C ATOM 772 C VAL A 51 -14.772 0.189 -2.164 1.00 0.79 C ATOM 773 O VAL A 51 -14.771 -0.265 -3.304 1.00 0.97 O ATOM 774 CB VAL A 51 -16.205 2.014 -1.090 1.00 1.18 C ATOM 775 CG1 VAL A 51 -15.879 2.919 -2.281 1.00 1.32 C ATOM 776 CG2 VAL A 51 -17.625 2.340 -0.599 1.00 1.61 C ATOM 0 H VAL A 51 -15.529 -0.102 0.435 1.00 0.99 H new ATOM 0 HA VAL A 51 -16.890 0.296 -2.179 1.00 0.99 H new ATOM 0 HB VAL A 51 -15.481 2.199 -0.296 1.00 1.18 H new ATOM 0 HG11 VAL A 51 -15.965 3.963 -1.979 1.00 1.32 H new ATOM 0 HG12 VAL A 51 -14.862 2.722 -2.620 1.00 1.32 H new ATOM 0 HG13 VAL A 51 -16.578 2.718 -3.093 1.00 1.32 H new ATOM 0 HG21 VAL A 51 -17.686 3.396 -0.337 1.00 1.61 H new ATOM 0 HG22 VAL A 51 -18.343 2.121 -1.390 1.00 1.61 H new ATOM 0 HG23 VAL A 51 -17.855 1.735 0.278 1.00 1.61 H new ATOM 786 N ILE A 52 -13.642 0.437 -1.492 1.00 0.69 N ATOM 787 CA ILE A 52 -12.313 0.448 -2.111 1.00 0.70 C ATOM 788 C ILE A 52 -11.960 -0.900 -2.752 1.00 0.77 C ATOM 789 O ILE A 52 -11.552 -0.938 -3.905 1.00 1.13 O ATOM 790 CB ILE A 52 -11.242 0.956 -1.116 1.00 0.72 C ATOM 791 CG1 ILE A 52 -9.814 0.798 -1.670 1.00 0.90 C ATOM 792 CG2 ILE A 52 -11.375 0.354 0.293 1.00 0.83 C ATOM 793 CD1 ILE A 52 -8.763 1.091 -0.602 1.00 1.34 C ATOM 0 H ILE A 52 -13.625 0.638 -0.492 1.00 0.69 H new ATOM 0 HA ILE A 52 -12.333 1.160 -2.936 1.00 0.70 H new ATOM 0 HB ILE A 52 -11.435 2.023 -1.004 1.00 0.72 H new ATOM 0 HG12 ILE A 52 -9.679 -0.216 -2.046 1.00 0.90 H new ATOM 0 HG13 ILE A 52 -9.674 1.473 -2.515 1.00 0.90 H new ATOM 0 HG21 ILE A 52 -10.592 0.756 0.936 1.00 0.83 H new ATOM 0 HG22 ILE A 52 -12.350 0.609 0.707 1.00 0.83 H new ATOM 0 HG23 ILE A 52 -11.277 -0.730 0.236 1.00 0.83 H new ATOM 0 HD11 ILE A 52 -7.767 0.970 -1.028 1.00 1.34 H new ATOM 0 HD12 ILE A 52 -8.883 2.114 -0.245 1.00 1.34 H new ATOM 0 HD13 ILE A 52 -8.888 0.399 0.231 1.00 1.34 H new ATOM 805 N GLN A 53 -12.113 -1.979 -1.980 1.00 0.69 N ATOM 806 CA GLN A 53 -11.838 -3.375 -2.292 1.00 0.81 C ATOM 807 C GLN A 53 -10.342 -3.774 -2.225 1.00 0.72 C ATOM 808 O GLN A 53 -9.490 -3.122 -2.827 1.00 0.68 O ATOM 809 CB GLN A 53 -12.495 -3.852 -3.600 1.00 0.89 C ATOM 810 CG GLN A 53 -13.896 -4.458 -3.427 1.00 1.31 C ATOM 811 CD GLN A 53 -14.056 -5.673 -4.338 1.00 1.22 C ATOM 812 OE1 GLN A 53 -14.227 -5.539 -5.544 1.00 2.35 O ATOM 813 NE2 GLN A 53 -13.963 -6.875 -3.775 1.00 1.47 N ATOM 0 H GLN A 53 -12.468 -1.882 -1.029 1.00 0.69 H new ATOM 0 HA GLN A 53 -12.320 -3.914 -1.476 1.00 0.81 H new ATOM 0 HB2 GLN A 53 -12.561 -3.008 -4.287 1.00 0.89 H new ATOM 0 HB3 GLN A 53 -11.847 -4.594 -4.067 1.00 0.89 H new ATOM 0 HG2 GLN A 53 -14.049 -4.750 -2.388 1.00 1.31 H new ATOM 0 HG3 GLN A 53 -14.655 -3.713 -3.664 1.00 1.31 H new ATOM 0 HE21 GLN A 53 -13.821 -6.957 -2.768 1.00 1.47 H new ATOM 0 HE22 GLN A 53 -14.034 -7.714 -4.350 1.00 1.47 H new ATOM 822 N PRO A 54 -10.019 -4.888 -1.532 1.00 0.75 N ATOM 823 CA PRO A 54 -8.670 -5.421 -1.382 1.00 0.74 C ATOM 824 C PRO A 54 -7.941 -5.745 -2.696 1.00 0.71 C ATOM 825 O PRO A 54 -6.775 -5.367 -2.820 1.00 0.71 O ATOM 826 CB PRO A 54 -8.755 -6.621 -0.431 1.00 0.93 C ATOM 827 CG PRO A 54 -10.239 -6.972 -0.365 1.00 0.95 C ATOM 828 CD PRO A 54 -10.943 -5.667 -0.729 1.00 0.93 C ATOM 0 HA PRO A 54 -8.039 -4.638 -0.961 1.00 0.74 H new ATOM 0 HB2 PRO A 54 -8.167 -7.461 -0.802 1.00 0.93 H new ATOM 0 HB3 PRO A 54 -8.365 -6.371 0.556 1.00 0.93 H new ATOM 0 HG2 PRO A 54 -10.492 -7.770 -1.063 1.00 0.95 H new ATOM 0 HG3 PRO A 54 -10.524 -7.316 0.629 1.00 0.95 H new ATOM 0 HD2 PRO A 54 -11.860 -5.867 -1.283 1.00 0.93 H new ATOM 0 HD3 PRO A 54 -11.227 -5.120 0.170 1.00 0.93 H new ATOM 836 N PRO A 55 -8.546 -6.430 -3.687 1.00 0.78 N ATOM 837 CA PRO A 55 -7.879 -6.616 -4.968 1.00 0.83 C ATOM 838 C PRO A 55 -7.604 -5.273 -5.643 1.00 0.78 C ATOM 839 O PRO A 55 -6.607 -5.129 -6.353 1.00 0.93 O ATOM 840 CB PRO A 55 -8.809 -7.504 -5.802 1.00 0.98 C ATOM 841 CG PRO A 55 -10.188 -7.243 -5.202 1.00 0.98 C ATOM 842 CD PRO A 55 -9.863 -7.056 -3.723 1.00 0.89 C ATOM 0 HA PRO A 55 -6.903 -7.087 -4.851 1.00 0.83 H new ATOM 0 HB2 PRO A 55 -8.775 -7.239 -6.859 1.00 0.98 H new ATOM 0 HB3 PRO A 55 -8.532 -8.556 -5.728 1.00 0.98 H new ATOM 0 HG2 PRO A 55 -10.658 -6.358 -5.631 1.00 0.98 H new ATOM 0 HG3 PRO A 55 -10.869 -8.078 -5.367 1.00 0.98 H new ATOM 0 HD2 PRO A 55 -10.609 -6.429 -3.234 1.00 0.89 H new ATOM 0 HD3 PRO A 55 -9.857 -8.012 -3.199 1.00 0.89 H new ATOM 850 N MET A 56 -8.485 -4.289 -5.425 1.00 0.69 N ATOM 851 CA MET A 56 -8.405 -3.024 -6.121 1.00 0.71 C ATOM 852 C MET A 56 -7.119 -2.304 -5.720 1.00 0.58 C ATOM 853 O MET A 56 -6.328 -1.946 -6.589 1.00 0.78 O ATOM 854 CB MET A 56 -9.672 -2.209 -5.828 1.00 0.83 C ATOM 855 CG MET A 56 -10.311 -1.631 -7.093 1.00 1.23 C ATOM 856 SD MET A 56 -9.482 -0.209 -7.844 1.00 2.21 S ATOM 857 CE MET A 56 -9.852 1.063 -6.612 1.00 4.09 C ATOM 0 H MET A 56 -9.261 -4.357 -4.766 1.00 0.69 H new ATOM 0 HA MET A 56 -8.360 -3.171 -7.200 1.00 0.71 H new ATOM 0 HB2 MET A 56 -10.397 -2.843 -5.318 1.00 0.83 H new ATOM 0 HB3 MET A 56 -9.425 -1.395 -5.146 1.00 0.83 H new ATOM 0 HG2 MET A 56 -10.368 -2.424 -7.838 1.00 1.23 H new ATOM 0 HG3 MET A 56 -11.335 -1.342 -6.856 1.00 1.23 H new ATOM 0 HE1 MET A 56 -9.585 2.042 -7.009 1.00 4.09 H new ATOM 0 HE2 MET A 56 -10.916 1.044 -6.378 1.00 4.09 H new ATOM 0 HE3 MET A 56 -9.278 0.870 -5.706 1.00 4.09 H new ATOM 867 N ILE A 57 -6.891 -2.133 -4.411 1.00 0.49 N ATOM 868 CA ILE A 57 -5.656 -1.528 -3.913 1.00 0.64 C ATOM 869 C ILE A 57 -4.410 -2.153 -4.545 1.00 0.68 C ATOM 870 O ILE A 57 -3.634 -1.431 -5.156 1.00 0.94 O ATOM 871 CB ILE A 57 -5.522 -1.513 -2.376 1.00 0.88 C ATOM 872 CG1 ILE A 57 -6.694 -2.130 -1.600 1.00 0.87 C ATOM 873 CG2 ILE A 57 -5.290 -0.065 -1.946 1.00 1.98 C ATOM 874 CD1 ILE A 57 -6.277 -2.506 -0.179 1.00 1.15 C ATOM 0 H ILE A 57 -7.548 -2.406 -3.680 1.00 0.49 H new ATOM 0 HA ILE A 57 -5.729 -0.486 -4.224 1.00 0.64 H new ATOM 0 HB ILE A 57 -4.681 -2.158 -2.124 1.00 0.88 H new ATOM 0 HG12 ILE A 57 -7.523 -1.423 -1.564 1.00 0.87 H new ATOM 0 HG13 ILE A 57 -7.054 -3.016 -2.123 1.00 0.87 H new ATOM 0 HG21 ILE A 57 -5.191 -0.019 -0.862 1.00 1.98 H new ATOM 0 HG22 ILE A 57 -4.378 0.311 -2.410 1.00 1.98 H new ATOM 0 HG23 ILE A 57 -6.135 0.547 -2.259 1.00 1.98 H new ATOM 0 HD11 ILE A 57 -7.127 -2.941 0.347 1.00 1.15 H new ATOM 0 HD12 ILE A 57 -5.465 -3.232 -0.218 1.00 1.15 H new ATOM 0 HD13 ILE A 57 -5.941 -1.614 0.350 1.00 1.15 H new ATOM 886 N ALA A 58 -4.193 -3.467 -4.391 1.00 0.53 N ATOM 887 CA ALA A 58 -3.096 -4.184 -5.035 1.00 0.69 C ATOM 888 C ALA A 58 -2.854 -3.687 -6.464 1.00 0.80 C ATOM 889 O ALA A 58 -1.770 -3.197 -6.778 1.00 0.92 O ATOM 890 CB ALA A 58 -3.372 -5.693 -5.012 1.00 0.80 C ATOM 0 H ALA A 58 -4.782 -4.063 -3.809 1.00 0.53 H new ATOM 0 HA ALA A 58 -2.184 -3.986 -4.473 1.00 0.69 H new ATOM 0 HB1 ALA A 58 -2.549 -6.221 -5.494 1.00 0.80 H new ATOM 0 HB2 ALA A 58 -3.464 -6.030 -3.980 1.00 0.80 H new ATOM 0 HB3 ALA A 58 -4.299 -5.901 -5.546 1.00 0.80 H new ATOM 896 N GLU A 59 -3.869 -3.778 -7.324 1.00 0.79 N ATOM 897 CA GLU A 59 -3.746 -3.312 -8.695 1.00 0.89 C ATOM 898 C GLU A 59 -3.382 -1.831 -8.768 1.00 0.93 C ATOM 899 O GLU A 59 -2.421 -1.479 -9.448 1.00 0.99 O ATOM 900 CB GLU A 59 -5.038 -3.583 -9.458 1.00 0.96 C ATOM 901 CG GLU A 59 -5.010 -4.966 -10.128 1.00 1.07 C ATOM 902 CD GLU A 59 -3.968 -5.037 -11.240 1.00 1.47 C ATOM 903 OE1 GLU A 59 -4.277 -4.564 -12.353 1.00 2.53 O ATOM 904 OE2 GLU A 59 -2.859 -5.546 -10.959 1.00 2.09 O ATOM 0 H GLU A 59 -4.781 -4.170 -7.091 1.00 0.79 H new ATOM 0 HA GLU A 59 -2.931 -3.866 -9.160 1.00 0.89 H new ATOM 0 HB2 GLU A 59 -5.886 -3.524 -8.775 1.00 0.96 H new ATOM 0 HB3 GLU A 59 -5.185 -2.813 -10.215 1.00 0.96 H new ATOM 0 HG2 GLU A 59 -4.795 -5.728 -9.379 1.00 1.07 H new ATOM 0 HG3 GLU A 59 -5.995 -5.191 -10.538 1.00 1.07 H new ATOM 911 N PHE A 60 -4.128 -0.973 -8.066 1.00 0.96 N ATOM 912 CA PHE A 60 -3.790 0.428 -7.903 1.00 1.03 C ATOM 913 C PHE A 60 -2.297 0.596 -7.648 1.00 1.04 C ATOM 914 O PHE A 60 -1.625 1.350 -8.331 1.00 1.30 O ATOM 915 CB PHE A 60 -4.590 1.019 -6.733 1.00 1.01 C ATOM 916 CG PHE A 60 -5.050 2.426 -7.004 1.00 1.06 C ATOM 917 CD1 PHE A 60 -4.109 3.447 -7.230 1.00 1.70 C ATOM 918 CD2 PHE A 60 -6.410 2.655 -7.257 1.00 2.40 C ATOM 919 CE1 PHE A 60 -4.530 4.684 -7.739 1.00 1.86 C ATOM 920 CE2 PHE A 60 -6.832 3.896 -7.750 1.00 2.49 C ATOM 921 CZ PHE A 60 -5.895 4.918 -7.987 1.00 1.45 C ATOM 0 H PHE A 60 -4.991 -1.243 -7.593 1.00 0.96 H new ATOM 0 HA PHE A 60 -4.044 0.957 -8.821 1.00 1.03 H new ATOM 0 HB2 PHE A 60 -5.457 0.389 -6.534 1.00 1.01 H new ATOM 0 HB3 PHE A 60 -3.974 1.008 -5.833 1.00 1.01 H new ATOM 0 HD1 PHE A 60 -3.065 3.279 -7.012 1.00 1.70 H new ATOM 0 HD2 PHE A 60 -7.132 1.874 -7.072 1.00 2.40 H new ATOM 0 HE1 PHE A 60 -3.805 5.459 -7.941 1.00 1.86 H new ATOM 0 HE2 PHE A 60 -7.879 4.069 -7.949 1.00 2.49 H new ATOM 0 HZ PHE A 60 -6.222 5.878 -8.358 1.00 1.45 H new ATOM 931 N ILE A 61 -1.758 -0.142 -6.683 1.00 0.85 N ATOM 932 CA ILE A 61 -0.365 -0.002 -6.287 1.00 0.78 C ATOM 933 C ILE A 61 0.527 -0.420 -7.455 1.00 0.69 C ATOM 934 O ILE A 61 1.537 0.218 -7.753 1.00 0.68 O ATOM 935 CB ILE A 61 -0.108 -0.806 -4.999 1.00 0.79 C ATOM 936 CG1 ILE A 61 -0.905 -0.205 -3.827 1.00 0.91 C ATOM 937 CG2 ILE A 61 1.386 -0.803 -4.659 1.00 0.76 C ATOM 938 CD1 ILE A 61 -1.072 -1.184 -2.661 1.00 0.92 C ATOM 0 H ILE A 61 -2.272 -0.849 -6.158 1.00 0.85 H new ATOM 0 HA ILE A 61 -0.125 1.035 -6.054 1.00 0.78 H new ATOM 0 HB ILE A 61 -0.434 -1.833 -5.164 1.00 0.79 H new ATOM 0 HG12 ILE A 61 -0.400 0.693 -3.472 1.00 0.91 H new ATOM 0 HG13 ILE A 61 -1.889 0.102 -4.182 1.00 0.91 H new ATOM 0 HG21 ILE A 61 1.553 -1.375 -3.746 1.00 0.76 H new ATOM 0 HG22 ILE A 61 1.946 -1.255 -5.478 1.00 0.76 H new ATOM 0 HG23 ILE A 61 1.723 0.223 -4.511 1.00 0.76 H new ATOM 0 HD11 ILE A 61 -1.641 -0.706 -1.864 1.00 0.92 H new ATOM 0 HD12 ILE A 61 -1.603 -2.072 -3.005 1.00 0.92 H new ATOM 0 HD13 ILE A 61 -0.091 -1.471 -2.284 1.00 0.92 H new ATOM 950 N ARG A 62 0.131 -1.487 -8.147 1.00 0.68 N ATOM 951 CA ARG A 62 0.834 -1.947 -9.326 1.00 0.66 C ATOM 952 C ARG A 62 0.768 -0.958 -10.500 1.00 0.70 C ATOM 953 O ARG A 62 1.474 -1.198 -11.479 1.00 0.77 O ATOM 954 CB ARG A 62 0.358 -3.350 -9.739 1.00 0.68 C ATOM 955 CG ARG A 62 0.639 -4.398 -8.654 1.00 0.68 C ATOM 956 CD ARG A 62 -0.062 -5.731 -8.952 1.00 1.11 C ATOM 957 NE ARG A 62 0.695 -6.534 -9.925 1.00 1.22 N ATOM 958 CZ ARG A 62 0.574 -6.516 -11.264 1.00 2.08 C ATOM 959 NH1 ARG A 62 -0.432 -5.881 -11.871 1.00 3.13 N ATOM 960 NH2 ARG A 62 1.493 -7.148 -12.003 1.00 2.50 N ATOM 0 H ARG A 62 -0.684 -2.050 -7.901 1.00 0.68 H new ATOM 0 HA ARG A 62 1.887 -2.009 -9.052 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -0.712 -3.323 -9.947 1.00 0.68 H new ATOM 0 HB3 ARG A 62 0.856 -3.644 -10.663 1.00 0.68 H new ATOM 0 HG2 ARG A 62 1.714 -4.562 -8.577 1.00 0.68 H new ATOM 0 HG3 ARG A 62 0.304 -4.020 -7.688 1.00 0.68 H new ATOM 0 HD2 ARG A 62 -0.181 -6.295 -8.027 1.00 1.11 H new ATOM 0 HD3 ARG A 62 -1.063 -5.538 -9.338 1.00 1.11 H new ATOM 0 HE ARG A 62 1.389 -7.176 -9.541 1.00 1.22 H new ATOM 0 HH11 ARG A 62 -1.135 -5.392 -11.317 1.00 3.13 H new ATOM 0 HH12 ARG A 62 -0.497 -5.885 -12.889 1.00 3.13 H new ATOM 0 HH21 ARG A 62 2.268 -7.632 -11.549 1.00 2.50 H new ATOM 0 HH22 ARG A 62 1.419 -7.146 -13.020 1.00 2.50 H new ATOM 974 N GLU A 63 0.002 0.147 -10.440 1.00 0.68 N ATOM 975 CA GLU A 63 0.048 1.191 -11.469 1.00 0.77 C ATOM 976 C GLU A 63 1.493 1.628 -11.753 1.00 0.76 C ATOM 977 O GLU A 63 1.841 1.991 -12.874 1.00 0.79 O ATOM 978 CB GLU A 63 -0.840 2.389 -11.080 1.00 0.85 C ATOM 979 CG GLU A 63 -0.212 3.309 -10.016 1.00 1.60 C ATOM 980 CD GLU A 63 -1.185 4.357 -9.481 1.00 2.66 C ATOM 981 OE1 GLU A 63 -2.059 4.783 -10.268 1.00 2.86 O ATOM 982 OE2 GLU A 63 -1.013 4.745 -8.304 1.00 4.01 O ATOM 0 H GLU A 63 -0.657 0.336 -9.685 1.00 0.68 H new ATOM 0 HA GLU A 63 -0.352 0.771 -12.392 1.00 0.77 H new ATOM 0 HB2 GLU A 63 -1.054 2.976 -11.973 1.00 0.85 H new ATOM 0 HB3 GLU A 63 -1.794 2.016 -10.707 1.00 0.85 H new ATOM 0 HG2 GLU A 63 0.150 2.701 -9.187 1.00 1.60 H new ATOM 0 HG3 GLU A 63 0.655 3.812 -10.445 1.00 1.60 H new ATOM 989 N LEU A 64 2.343 1.559 -10.723 1.00 0.75 N ATOM 990 CA LEU A 64 3.734 1.984 -10.767 1.00 0.76 C ATOM 991 C LEU A 64 4.631 0.904 -11.378 1.00 0.74 C ATOM 992 O LEU A 64 5.791 1.168 -11.683 1.00 0.80 O ATOM 993 CB LEU A 64 4.218 2.225 -9.332 1.00 0.90 C ATOM 994 CG LEU A 64 3.309 3.126 -8.490 1.00 0.90 C ATOM 995 CD1 LEU A 64 3.641 2.926 -7.016 1.00 1.13 C ATOM 996 CD2 LEU A 64 3.444 4.603 -8.869 1.00 1.09 C ATOM 0 H LEU A 64 2.067 1.194 -9.811 1.00 0.75 H new ATOM 0 HA LEU A 64 3.792 2.886 -11.376 1.00 0.76 H new ATOM 0 HB2 LEU A 64 4.317 1.262 -8.830 1.00 0.90 H new ATOM 0 HB3 LEU A 64 5.213 2.669 -9.369 1.00 0.90 H new ATOM 0 HG LEU A 64 2.275 2.844 -8.685 1.00 0.90 H new ATOM 0 HD11 LEU A 64 2.999 3.564 -6.409 1.00 1.13 H new ATOM 0 HD12 LEU A 64 3.478 1.883 -6.745 1.00 1.13 H new ATOM 0 HD13 LEU A 64 4.684 3.188 -6.839 1.00 1.13 H new ATOM 0 HD21 LEU A 64 2.780 5.201 -8.245 1.00 1.09 H new ATOM 0 HD22 LEU A 64 4.474 4.925 -8.716 1.00 1.09 H new ATOM 0 HD23 LEU A 64 3.174 4.736 -9.917 1.00 1.09 H new ATOM 1008 N GLY A 65 4.132 -0.330 -11.484 1.00 0.73 N ATOM 1009 CA GLY A 65 4.905 -1.471 -11.949 1.00 0.71 C ATOM 1010 C GLY A 65 5.884 -1.984 -10.890 1.00 0.61 C ATOM 1011 O GLY A 65 6.853 -2.658 -11.228 1.00 0.69 O ATOM 0 H GLY A 65 3.168 -0.562 -11.245 1.00 0.73 H new ATOM 0 HA2 GLY A 65 4.226 -2.275 -12.232 1.00 0.71 H new ATOM 0 HA3 GLY A 65 5.458 -1.191 -12.845 1.00 0.71 H new ATOM 1015 N PHE A 66 5.622 -1.712 -9.605 1.00 0.62 N ATOM 1016 CA PHE A 66 6.448 -2.219 -8.514 1.00 0.67 C ATOM 1017 C PHE A 66 6.051 -3.650 -8.157 1.00 0.59 C ATOM 1018 O PHE A 66 4.901 -4.059 -8.326 1.00 0.58 O ATOM 1019 CB PHE A 66 6.335 -1.318 -7.273 1.00 0.76 C ATOM 1020 CG PHE A 66 7.465 -0.315 -7.157 1.00 0.79 C ATOM 1021 CD1 PHE A 66 7.459 0.833 -7.966 1.00 1.90 C ATOM 1022 CD2 PHE A 66 8.581 -0.591 -6.344 1.00 1.92 C ATOM 1023 CE1 PHE A 66 8.538 1.729 -7.929 1.00 2.14 C ATOM 1024 CE2 PHE A 66 9.674 0.294 -6.322 1.00 2.30 C ATOM 1025 CZ PHE A 66 9.651 1.457 -7.113 1.00 1.78 C ATOM 0 H PHE A 66 4.836 -1.138 -9.299 1.00 0.62 H new ATOM 0 HA PHE A 66 7.484 -2.215 -8.852 1.00 0.67 H new ATOM 0 HB2 PHE A 66 5.386 -0.783 -7.306 1.00 0.76 H new ATOM 0 HB3 PHE A 66 6.319 -1.942 -6.379 1.00 0.76 H new ATOM 0 HD1 PHE A 66 6.621 1.027 -8.619 1.00 1.90 H new ATOM 0 HD2 PHE A 66 8.598 -1.484 -5.736 1.00 1.92 H new ATOM 0 HE1 PHE A 66 8.514 2.628 -8.527 1.00 2.14 H new ATOM 0 HE2 PHE A 66 10.530 0.081 -5.699 1.00 2.30 H new ATOM 0 HZ PHE A 66 10.487 2.140 -7.094 1.00 1.78 H new ATOM 1035 N GLY A 67 7.001 -4.392 -7.583 1.00 0.65 N ATOM 1036 CA GLY A 67 6.785 -5.760 -7.150 1.00 0.69 C ATOM 1037 C GLY A 67 6.101 -5.737 -5.790 1.00 0.67 C ATOM 1038 O GLY A 67 6.716 -6.044 -4.770 1.00 0.77 O ATOM 0 H GLY A 67 7.946 -4.051 -7.408 1.00 0.65 H new ATOM 0 HA2 GLY A 67 6.169 -6.293 -7.874 1.00 0.69 H new ATOM 0 HA3 GLY A 67 7.735 -6.291 -7.087 1.00 0.69 H new ATOM 1042 N ALA A 68 4.827 -5.341 -5.797 1.00 0.58 N ATOM 1043 CA ALA A 68 3.962 -5.364 -4.629 1.00 0.51 C ATOM 1044 C ALA A 68 3.381 -6.769 -4.465 1.00 0.52 C ATOM 1045 O ALA A 68 3.226 -7.497 -5.445 1.00 0.63 O ATOM 1046 CB ALA A 68 2.838 -4.339 -4.808 1.00 0.54 C ATOM 0 H ALA A 68 4.364 -4.989 -6.635 1.00 0.58 H new ATOM 0 HA ALA A 68 4.532 -5.107 -3.736 1.00 0.51 H new ATOM 0 HB1 ALA A 68 2.188 -4.355 -3.933 1.00 0.54 H new ATOM 0 HB2 ALA A 68 3.268 -3.344 -4.923 1.00 0.54 H new ATOM 0 HB3 ALA A 68 2.257 -4.588 -5.696 1.00 0.54 H new ATOM 1052 N THR A 69 3.051 -7.149 -3.232 1.00 0.48 N ATOM 1053 CA THR A 69 2.451 -8.434 -2.916 1.00 0.53 C ATOM 1054 C THR A 69 1.592 -8.219 -1.674 1.00 0.53 C ATOM 1055 O THR A 69 2.096 -7.764 -0.650 1.00 0.60 O ATOM 1056 CB THR A 69 3.507 -9.541 -2.798 1.00 0.65 C ATOM 1057 OG1 THR A 69 2.944 -10.690 -2.199 1.00 1.22 O ATOM 1058 CG2 THR A 69 4.718 -9.082 -2.002 1.00 1.17 C ATOM 0 H THR A 69 3.198 -6.558 -2.413 1.00 0.48 H new ATOM 0 HA THR A 69 1.809 -8.796 -3.719 1.00 0.53 H new ATOM 0 HB THR A 69 3.843 -9.784 -3.806 1.00 0.65 H new ATOM 0 HG1 THR A 69 3.626 -11.390 -2.130 1.00 1.22 H new ATOM 0 HG21 THR A 69 5.443 -9.894 -1.941 1.00 1.17 H new ATOM 0 HG22 THR A 69 5.175 -8.225 -2.496 1.00 1.17 H new ATOM 0 HG23 THR A 69 4.406 -8.798 -0.997 1.00 1.17 H new ATOM 1066 N VAL A 70 0.282 -8.436 -1.809 1.00 0.58 N ATOM 1067 CA VAL A 70 -0.719 -8.147 -0.794 1.00 0.58 C ATOM 1068 C VAL A 70 -1.153 -9.462 -0.156 1.00 0.65 C ATOM 1069 O VAL A 70 -1.373 -10.441 -0.869 1.00 0.75 O ATOM 1070 CB VAL A 70 -1.878 -7.362 -1.438 1.00 0.58 C ATOM 1071 CG1 VAL A 70 -2.675 -8.193 -2.456 1.00 0.64 C ATOM 1072 CG2 VAL A 70 -2.844 -6.785 -0.388 1.00 0.63 C ATOM 0 H VAL A 70 -0.119 -8.832 -2.659 1.00 0.58 H new ATOM 0 HA VAL A 70 -0.321 -7.517 0.002 1.00 0.58 H new ATOM 0 HB VAL A 70 -1.399 -6.541 -1.971 1.00 0.58 H new ATOM 0 HG11 VAL A 70 -3.477 -7.585 -2.874 1.00 0.64 H new ATOM 0 HG12 VAL A 70 -2.012 -8.520 -3.257 1.00 0.64 H new ATOM 0 HG13 VAL A 70 -3.102 -9.064 -1.960 1.00 0.64 H new ATOM 0 HG21 VAL A 70 -3.644 -6.240 -0.890 1.00 0.63 H new ATOM 0 HG22 VAL A 70 -3.271 -7.598 0.199 1.00 0.63 H new ATOM 0 HG23 VAL A 70 -2.302 -6.107 0.272 1.00 0.63 H new ATOM 1082 N ILE A 71 -1.247 -9.498 1.174 1.00 0.65 N ATOM 1083 CA ILE A 71 -1.659 -10.673 1.916 1.00 0.77 C ATOM 1084 C ILE A 71 -2.673 -10.282 2.994 1.00 0.86 C ATOM 1085 O ILE A 71 -2.768 -9.119 3.396 1.00 0.76 O ATOM 1086 CB ILE A 71 -0.444 -11.430 2.460 1.00 0.87 C ATOM 1087 CG1 ILE A 71 0.365 -10.586 3.450 1.00 0.89 C ATOM 1088 CG2 ILE A 71 0.451 -11.926 1.311 1.00 1.67 C ATOM 1089 CD1 ILE A 71 1.158 -11.521 4.351 1.00 1.24 C ATOM 0 H ILE A 71 -1.034 -8.696 1.767 1.00 0.65 H new ATOM 0 HA ILE A 71 -2.165 -11.370 1.248 1.00 0.77 H new ATOM 0 HB ILE A 71 -0.822 -12.295 3.005 1.00 0.87 H new ATOM 0 HG12 ILE A 71 1.038 -9.916 2.914 1.00 0.89 H new ATOM 0 HG13 ILE A 71 -0.300 -9.961 4.046 1.00 0.89 H new ATOM 0 HG21 ILE A 71 1.307 -12.461 1.722 1.00 1.67 H new ATOM 0 HG22 ILE A 71 -0.120 -12.595 0.668 1.00 1.67 H new ATOM 0 HG23 ILE A 71 0.801 -11.074 0.728 1.00 1.67 H new ATOM 0 HD11 ILE A 71 1.740 -10.934 5.062 1.00 1.24 H new ATOM 0 HD12 ILE A 71 0.472 -12.172 4.893 1.00 1.24 H new ATOM 0 HD13 ILE A 71 1.831 -12.127 3.744 1.00 1.24 H new ATOM 1101 N GLU A 72 -3.444 -11.271 3.445 1.00 1.25 N ATOM 1102 CA GLU A 72 -4.298 -11.149 4.610 1.00 1.47 C ATOM 1103 C GLU A 72 -3.430 -10.990 5.859 1.00 1.64 C ATOM 1104 O GLU A 72 -2.216 -11.189 5.810 1.00 2.74 O ATOM 1105 CB GLU A 72 -5.180 -12.399 4.694 1.00 3.00 C ATOM 1106 CG GLU A 72 -4.356 -13.655 5.019 1.00 4.18 C ATOM 1107 CD GLU A 72 -5.012 -14.906 4.451 1.00 5.65 C ATOM 1108 OE1 GLU A 72 -6.225 -15.071 4.703 1.00 6.18 O ATOM 1109 OE2 GLU A 72 -4.296 -15.652 3.753 1.00 6.57 O ATOM 0 H GLU A 72 -3.488 -12.188 3.001 1.00 1.25 H new ATOM 0 HA GLU A 72 -4.939 -10.271 4.535 1.00 1.47 H new ATOM 0 HB2 GLU A 72 -5.942 -12.256 5.460 1.00 3.00 H new ATOM 0 HB3 GLU A 72 -5.702 -12.541 3.747 1.00 3.00 H new ATOM 0 HG2 GLU A 72 -3.351 -13.550 4.609 1.00 4.18 H new ATOM 0 HG3 GLU A 72 -4.251 -13.755 6.099 1.00 4.18 H new ATOM 1116 N ASN A 73 -4.045 -10.639 6.987 1.00 1.86 N ATOM 1117 CA ASN A 73 -3.348 -10.493 8.251 1.00 3.23 C ATOM 1118 C ASN A 73 -4.400 -10.336 9.343 1.00 3.50 C ATOM 1119 O ASN A 73 -5.591 -10.408 9.048 1.00 3.56 O ATOM 1120 CB ASN A 73 -2.388 -9.291 8.191 1.00 4.19 C ATOM 1121 CG ASN A 73 -1.015 -9.667 8.734 1.00 5.04 C ATOM 1122 OD1 ASN A 73 -0.176 -10.215 8.029 1.00 5.51 O ATOM 1123 ND2 ASN A 73 -0.764 -9.398 10.009 1.00 6.01 N ATOM 0 H ASN A 73 -5.045 -10.448 7.044 1.00 1.86 H new ATOM 0 HA ASN A 73 -2.736 -11.369 8.468 1.00 3.23 H new ATOM 0 HB2 ASN A 73 -2.295 -8.946 7.161 1.00 4.19 H new ATOM 0 HB3 ASN A 73 -2.798 -8.463 8.769 1.00 4.19 H new ATOM 0 HD21 ASN A 73 0.138 -9.648 10.415 1.00 6.01 H new ATOM 0 HD22 ASN A 73 -1.473 -8.941 10.583 1.00 6.01 H new ATOM 1130 N ILE A 74 -3.977 -10.118 10.591 1.00 4.29 N ATOM 1131 CA ILE A 74 -4.891 -9.835 11.691 1.00 4.76 C ATOM 1132 C ILE A 74 -5.848 -8.680 11.347 1.00 4.45 C ATOM 1133 O ILE A 74 -5.439 -7.521 11.276 1.00 4.96 O ATOM 1134 CB ILE A 74 -4.117 -9.567 12.998 1.00 5.58 C ATOM 1135 CG1 ILE A 74 -2.917 -8.615 12.814 1.00 6.37 C ATOM 1136 CG2 ILE A 74 -3.633 -10.893 13.603 1.00 6.03 C ATOM 1137 CD1 ILE A 74 -2.567 -7.874 14.107 1.00 7.29 C ATOM 0 H ILE A 74 -2.994 -10.133 10.863 1.00 4.29 H new ATOM 0 HA ILE A 74 -5.506 -10.721 11.850 1.00 4.76 H new ATOM 0 HB ILE A 74 -4.814 -9.071 13.674 1.00 5.58 H new ATOM 0 HG12 ILE A 74 -2.051 -9.185 12.477 1.00 6.37 H new ATOM 0 HG13 ILE A 74 -3.146 -7.891 12.032 1.00 6.37 H new ATOM 0 HG21 ILE A 74 -3.087 -10.694 14.526 1.00 6.03 H new ATOM 0 HG22 ILE A 74 -4.491 -11.529 13.819 1.00 6.03 H new ATOM 0 HG23 ILE A 74 -2.976 -11.398 12.895 1.00 6.03 H new ATOM 0 HD11 ILE A 74 -1.717 -7.215 13.930 1.00 7.29 H new ATOM 0 HD12 ILE A 74 -3.423 -7.282 14.430 1.00 7.29 H new ATOM 0 HD13 ILE A 74 -2.311 -8.596 14.882 1.00 7.29 H new ATOM 1149 N GLU A 75 -7.128 -8.998 11.141 1.00 3.91 N ATOM 1150 CA GLU A 75 -8.172 -8.005 10.955 1.00 3.71 C ATOM 1151 C GLU A 75 -8.468 -7.282 12.273 1.00 4.11 C ATOM 1152 O GLU A 75 -7.973 -7.668 13.330 1.00 5.05 O ATOM 1153 CB GLU A 75 -9.435 -8.675 10.394 1.00 3.36 C ATOM 1154 CG GLU A 75 -9.192 -9.276 9.003 1.00 3.80 C ATOM 1155 CD GLU A 75 -10.480 -9.296 8.188 1.00 3.84 C ATOM 1156 OE1 GLU A 75 -11.421 -9.979 8.642 1.00 3.91 O ATOM 1157 OE2 GLU A 75 -10.523 -8.568 7.169 1.00 4.68 O ATOM 0 H GLU A 75 -7.465 -9.960 11.099 1.00 3.91 H new ATOM 0 HA GLU A 75 -7.830 -7.259 10.238 1.00 3.71 H new ATOM 0 HB2 GLU A 75 -9.764 -9.459 11.076 1.00 3.36 H new ATOM 0 HB3 GLU A 75 -10.240 -7.943 10.338 1.00 3.36 H new ATOM 0 HG2 GLU A 75 -8.434 -8.695 8.478 1.00 3.80 H new ATOM 0 HG3 GLU A 75 -8.804 -10.290 9.103 1.00 3.80 H new ATOM 1164 N GLY A 76 -9.300 -6.237 12.196 1.00 3.90 N ATOM 1165 CA GLY A 76 -9.735 -5.458 13.349 1.00 4.58 C ATOM 1166 C GLY A 76 -10.294 -6.359 14.452 1.00 5.20 C ATOM 1167 O GLY A 76 -9.850 -6.281 15.595 1.00 6.42 O ATOM 0 H GLY A 76 -9.693 -5.908 11.314 1.00 3.90 H new ATOM 0 HA2 GLY A 76 -8.896 -4.882 13.738 1.00 4.58 H new ATOM 0 HA3 GLY A 76 -10.497 -4.743 13.040 1.00 4.58 H new ATOM 1171 N ARG A 77 -11.244 -7.218 14.071 1.00 4.94 N ATOM 1172 CA ARG A 77 -11.966 -8.107 14.969 1.00 6.00 C ATOM 1173 C ARG A 77 -12.768 -7.286 15.987 1.00 7.19 C ATOM 1174 O ARG A 77 -13.290 -6.230 15.564 1.00 7.63 O ATOM 1175 CB ARG A 77 -10.999 -9.130 15.594 1.00 6.43 C ATOM 1176 CG ARG A 77 -11.728 -10.404 16.042 1.00 7.05 C ATOM 1177 CD ARG A 77 -10.725 -11.432 16.577 1.00 7.69 C ATOM 1178 NE ARG A 77 -11.412 -12.667 16.985 1.00 8.56 N ATOM 1179 CZ ARG A 77 -10.800 -13.766 17.455 1.00 9.59 C ATOM 1180 NH1 ARG A 77 -9.469 -13.776 17.590 1.00 10.15 N ATOM 1181 NH2 ARG A 77 -11.519 -14.845 17.783 1.00 10.45 N ATOM 1182 OXT ARG A 77 -12.873 -7.735 17.150 1.00 8.09 O ATOM 0 H ARG A 77 -11.536 -7.312 13.098 1.00 4.94 H new ATOM 0 HA ARG A 77 -12.699 -8.695 14.417 1.00 6.00 H new ATOM 0 HB2 ARG A 77 -10.226 -9.389 14.870 1.00 6.43 H new ATOM 0 HB3 ARG A 77 -10.496 -8.679 16.450 1.00 6.43 H new ATOM 0 HG2 ARG A 77 -12.457 -10.161 16.815 1.00 7.05 H new ATOM 0 HG3 ARG A 77 -12.281 -10.828 15.204 1.00 7.05 H new ATOM 0 HD2 ARG A 77 -9.985 -11.659 15.810 1.00 7.69 H new ATOM 0 HD3 ARG A 77 -10.185 -11.013 17.426 1.00 7.69 H new ATOM 0 HE ARG A 77 -12.429 -12.690 16.905 1.00 8.56 H new ATOM 0 HH11 ARG A 77 -8.924 -12.952 17.336 1.00 10.15 H new ATOM 0 HH12 ARG A 77 -8.999 -14.608 17.947 1.00 10.15 H new ATOM 0 HH21 ARG A 77 -12.533 -14.834 17.676 1.00 10.45 H new ATOM 0 HH22 ARG A 77 -11.053 -15.679 18.140 1.00 10.45 H new TER 1196 ARG A 77