USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 CYS SG : rot -29:sc= 0.0618 USER MOD Set 1.2: A 17 CYS SG : rot -160:sc= 0.277 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.437 K(o=-0.25,f=-4.9!) USER MOD Set 2.2: A 12 MET CE :methyl -167:sc= 0 (180deg=-0.157) USER MOD Set 2.3: A 42 LYS NZ :NH3+ 143:sc= 0.188! (180deg=-1.03!) USER MOD Set 3.1: A 4 LYS NZ :NH3+ -179:sc= 2.3 (180deg=0.975) USER MOD Set 3.2: A 6 TYR OH : rot -137:sc= 2.42 USER MOD Single : A 2 SER OG : rot -23:sc= 0.148 USER MOD Single : A 3 SER OG : rot 120:sc= 0.0396 USER MOD Single : A 5 CYS SG : rot -57:sc= -0.533 USER MOD Single : A 10 THR OG1 : rot -140:sc= 0.479 USER MOD Single : A 13 THR OG1 : rot 86:sc= 1.05 USER MOD Single : A 16 SER OG : rot 180:sc= 0.131 USER MOD Single : A 20 ASN : amide:sc= -0.125 K(o=-0.13,f=-0.72) USER MOD Single : A 24 ASN : amide:sc= -6.53! C(o=-6.5!,f=-5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 43:sc= 1.13 USER MOD Single : A 39 MET CE :methyl 175:sc= 0 (180deg=-0.0322) USER MOD Single : A 47 TYR OH : rot 30:sc= -0.0355 USER MOD Single : A 48 ASN : amide:sc= -0.469 K(o=-0.47,f=-4.4!) USER MOD Single : A 53 GLN : amide:sc= -0.867 X(o=-0.87,f=-0.64) USER MOD Single : A 56 MET CE :methyl 174:sc= 0 (180deg=-0.0515) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.266 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -0.993 13.103 -7.781 1.00 1.72 N ATOM 18 CA SER A 2 -0.727 12.855 -6.368 1.00 1.17 C ATOM 19 C SER A 2 -2.021 12.381 -5.700 1.00 1.58 C ATOM 20 O SER A 2 -2.563 13.006 -4.783 1.00 2.63 O ATOM 21 CB SER A 2 -0.146 14.093 -5.696 1.00 1.49 C ATOM 22 OG SER A 2 -0.926 15.243 -5.974 1.00 2.46 O ATOM 0 HA SER A 2 0.024 12.072 -6.262 1.00 1.17 H new ATOM 0 HB2 SER A 2 -0.097 13.936 -4.619 1.00 1.49 H new ATOM 0 HB3 SER A 2 0.876 14.251 -6.041 1.00 1.49 H new ATOM 0 HG SER A 2 -1.433 15.102 -6.801 1.00 2.46 H new ATOM 28 N SER A 3 -2.517 11.273 -6.228 1.00 0.91 N ATOM 29 CA SER A 3 -3.819 10.673 -5.981 1.00 1.08 C ATOM 30 C SER A 3 -3.687 9.566 -4.937 1.00 0.91 C ATOM 31 O SER A 3 -2.568 9.220 -4.565 1.00 0.86 O ATOM 32 CB SER A 3 -4.318 10.118 -7.319 1.00 1.22 C ATOM 33 OG SER A 3 -3.236 9.502 -7.994 1.00 2.08 O ATOM 0 H SER A 3 -1.974 10.725 -6.896 1.00 0.91 H new ATOM 0 HA SER A 3 -4.529 11.403 -5.592 1.00 1.08 H new ATOM 0 HB2 SER A 3 -5.118 9.397 -7.153 1.00 1.22 H new ATOM 0 HB3 SER A 3 -4.734 10.921 -7.928 1.00 1.22 H new ATOM 0 HG SER A 3 -3.441 8.556 -8.145 1.00 2.08 H new ATOM 39 N LYS A 4 -4.810 9.006 -4.470 1.00 1.05 N ATOM 40 CA LYS A 4 -4.808 7.946 -3.470 1.00 1.11 C ATOM 41 C LYS A 4 -5.718 6.792 -3.889 1.00 1.14 C ATOM 42 O LYS A 4 -6.651 6.999 -4.662 1.00 1.37 O ATOM 43 CB LYS A 4 -5.070 8.538 -2.065 1.00 1.70 C ATOM 44 CG LYS A 4 -6.268 8.005 -1.268 1.00 1.62 C ATOM 45 CD LYS A 4 -7.613 8.547 -1.777 1.00 1.82 C ATOM 46 CE LYS A 4 -8.789 7.762 -1.178 1.00 2.83 C ATOM 47 NZ LYS A 4 -8.814 7.806 0.299 1.00 3.72 N ATOM 0 H LYS A 4 -5.743 9.279 -4.779 1.00 1.05 H new ATOM 0 HA LYS A 4 -3.821 7.489 -3.403 1.00 1.11 H new ATOM 0 HB2 LYS A 4 -4.174 8.381 -1.465 1.00 1.70 H new ATOM 0 HB3 LYS A 4 -5.195 9.615 -2.175 1.00 1.70 H new ATOM 0 HG2 LYS A 4 -6.277 6.916 -1.320 1.00 1.62 H new ATOM 0 HG3 LYS A 4 -6.148 8.273 -0.218 1.00 1.62 H new ATOM 0 HD2 LYS A 4 -7.706 9.601 -1.516 1.00 1.82 H new ATOM 0 HD3 LYS A 4 -7.646 8.483 -2.865 1.00 1.82 H new ATOM 0 HE2 LYS A 4 -9.724 8.166 -1.565 1.00 2.83 H new ATOM 0 HE3 LYS A 4 -8.731 6.724 -1.505 1.00 2.83 H new ATOM 0 HZ1 LYS A 4 -9.617 7.246 0.649 1.00 3.72 H new ATOM 0 HZ2 LYS A 4 -7.928 7.411 0.673 1.00 3.72 H new ATOM 0 HZ3 LYS A 4 -8.915 8.792 0.615 1.00 3.72 H new ATOM 61 N CYS A 5 -5.417 5.585 -3.399 1.00 1.09 N ATOM 62 CA CYS A 5 -6.101 4.345 -3.752 1.00 1.11 C ATOM 63 C CYS A 5 -6.119 3.420 -2.537 1.00 1.13 C ATOM 64 O CYS A 5 -5.262 3.544 -1.662 1.00 1.16 O ATOM 65 CB CYS A 5 -5.369 3.685 -4.926 1.00 1.06 C ATOM 66 SG CYS A 5 -6.125 2.108 -5.374 1.00 1.61 S ATOM 0 H CYS A 5 -4.665 5.444 -2.724 1.00 1.09 H new ATOM 0 HA CYS A 5 -7.129 4.550 -4.051 1.00 1.11 H new ATOM 0 HB2 CYS A 5 -5.382 4.354 -5.787 1.00 1.06 H new ATOM 0 HB3 CYS A 5 -4.324 3.527 -4.662 1.00 1.06 H new ATOM 0 HG CYS A 5 -6.130 1.320 -4.340 1.00 1.61 H new ATOM 72 N TYR A 6 -7.089 2.502 -2.498 1.00 1.17 N ATOM 73 CA TYR A 6 -7.236 1.454 -1.502 1.00 1.21 C ATOM 74 C TYR A 6 -6.638 0.172 -2.070 1.00 1.09 C ATOM 75 O TYR A 6 -6.853 -0.144 -3.241 1.00 1.07 O ATOM 76 CB TYR A 6 -8.721 1.233 -1.199 1.00 1.33 C ATOM 77 CG TYR A 6 -9.388 2.392 -0.496 1.00 1.30 C ATOM 78 CD1 TYR A 6 -9.914 3.466 -1.236 1.00 1.44 C ATOM 79 CD2 TYR A 6 -9.407 2.432 0.907 1.00 2.76 C ATOM 80 CE1 TYR A 6 -10.403 4.603 -0.570 1.00 1.58 C ATOM 81 CE2 TYR A 6 -9.907 3.560 1.570 1.00 2.80 C ATOM 82 CZ TYR A 6 -10.323 4.679 0.831 1.00 1.52 C ATOM 83 OH TYR A 6 -10.364 5.898 1.439 1.00 1.77 O ATOM 0 H TYR A 6 -7.828 2.474 -3.200 1.00 1.17 H new ATOM 0 HA TYR A 6 -6.726 1.737 -0.581 1.00 1.21 H new ATOM 0 HB2 TYR A 6 -9.246 1.039 -2.134 1.00 1.33 H new ATOM 0 HB3 TYR A 6 -8.826 0.340 -0.583 1.00 1.33 H new ATOM 0 HD1 TYR A 6 -9.942 3.417 -2.315 1.00 1.44 H new ATOM 0 HD2 TYR A 6 -9.036 1.592 1.476 1.00 2.76 H new ATOM 0 HE1 TYR A 6 -10.839 5.415 -1.133 1.00 1.58 H new ATOM 0 HE2 TYR A 6 -9.972 3.569 2.648 1.00 2.80 H new ATOM 0 HH TYR A 6 -9.690 5.932 2.150 1.00 1.77 H new ATOM 93 N ILE A 7 -5.886 -0.549 -1.244 1.00 1.11 N ATOM 94 CA ILE A 7 -5.185 -1.770 -1.611 1.00 1.07 C ATOM 95 C ILE A 7 -5.327 -2.741 -0.435 1.00 1.39 C ATOM 96 O ILE A 7 -4.931 -2.404 0.677 1.00 1.80 O ATOM 97 CB ILE A 7 -3.691 -1.481 -1.877 1.00 0.93 C ATOM 98 CG1 ILE A 7 -3.358 -0.188 -2.649 1.00 1.17 C ATOM 99 CG2 ILE A 7 -3.052 -2.697 -2.554 1.00 1.04 C ATOM 100 CD1 ILE A 7 -3.605 -0.260 -4.156 1.00 2.11 C ATOM 0 H ILE A 7 -5.745 -0.288 -0.268 1.00 1.11 H new ATOM 0 HA ILE A 7 -5.607 -2.192 -2.523 1.00 1.07 H new ATOM 0 HB ILE A 7 -3.264 -1.298 -0.891 1.00 0.93 H new ATOM 0 HG12 ILE A 7 -3.951 0.628 -2.236 1.00 1.17 H new ATOM 0 HG13 ILE A 7 -2.311 0.061 -2.478 1.00 1.17 H new ATOM 0 HG21 ILE A 7 -1.998 -2.496 -2.743 1.00 1.04 H new ATOM 0 HG22 ILE A 7 -3.145 -3.566 -1.903 1.00 1.04 H new ATOM 0 HG23 ILE A 7 -3.558 -2.895 -3.499 1.00 1.04 H new ATOM 0 HD11 ILE A 7 -3.343 0.694 -4.614 1.00 2.11 H new ATOM 0 HD12 ILE A 7 -2.991 -1.051 -4.588 1.00 2.11 H new ATOM 0 HD13 ILE A 7 -4.657 -0.475 -4.342 1.00 2.11 H new ATOM 112 N GLN A 8 -5.859 -3.946 -0.632 1.00 1.36 N ATOM 113 CA GLN A 8 -6.010 -4.890 0.465 1.00 1.58 C ATOM 114 C GLN A 8 -4.673 -5.550 0.780 1.00 1.68 C ATOM 115 O GLN A 8 -3.772 -5.530 -0.056 1.00 2.08 O ATOM 116 CB GLN A 8 -7.027 -5.958 0.059 1.00 2.01 C ATOM 117 CG GLN A 8 -8.420 -5.595 0.553 1.00 1.49 C ATOM 118 CD GLN A 8 -8.566 -5.837 2.054 1.00 2.29 C ATOM 119 OE1 GLN A 8 -7.576 -5.919 2.775 1.00 3.70 O ATOM 120 NE2 GLN A 8 -9.800 -5.944 2.546 1.00 2.77 N ATOM 0 H GLN A 8 -6.189 -4.287 -1.535 1.00 1.36 H new ATOM 0 HA GLN A 8 -6.356 -4.362 1.354 1.00 1.58 H new ATOM 0 HB2 GLN A 8 -7.037 -6.063 -1.026 1.00 2.01 H new ATOM 0 HB3 GLN A 8 -6.731 -6.923 0.470 1.00 2.01 H new ATOM 0 HG2 GLN A 8 -8.623 -4.547 0.331 1.00 1.49 H new ATOM 0 HG3 GLN A 8 -9.162 -6.185 0.015 1.00 1.49 H new ATOM 0 HE21 GLN A 8 -10.605 -5.872 1.924 1.00 2.77 H new ATOM 0 HE22 GLN A 8 -9.939 -6.098 3.545 1.00 2.77 H new ATOM 129 N VAL A 9 -4.542 -6.100 1.994 1.00 1.54 N ATOM 130 CA VAL A 9 -3.265 -6.623 2.474 1.00 1.60 C ATOM 131 C VAL A 9 -3.433 -7.957 3.209 1.00 1.84 C ATOM 132 O VAL A 9 -4.374 -8.140 3.982 1.00 1.95 O ATOM 133 CB VAL A 9 -2.573 -5.560 3.350 1.00 1.48 C ATOM 134 CG1 VAL A 9 -3.357 -5.241 4.633 1.00 2.79 C ATOM 135 CG2 VAL A 9 -1.152 -6.004 3.711 1.00 2.94 C ATOM 0 H VAL A 9 -5.309 -6.193 2.660 1.00 1.54 H new ATOM 0 HA VAL A 9 -2.627 -6.834 1.616 1.00 1.60 H new ATOM 0 HB VAL A 9 -2.536 -4.647 2.756 1.00 1.48 H new ATOM 0 HG11 VAL A 9 -2.821 -4.486 5.209 1.00 2.79 H new ATOM 0 HG12 VAL A 9 -4.345 -4.863 4.371 1.00 2.79 H new ATOM 0 HG13 VAL A 9 -3.461 -6.147 5.230 1.00 2.79 H new ATOM 0 HG21 VAL A 9 -0.679 -5.241 4.330 1.00 2.94 H new ATOM 0 HG22 VAL A 9 -1.193 -6.944 4.262 1.00 2.94 H new ATOM 0 HG23 VAL A 9 -0.572 -6.143 2.799 1.00 2.94 H new ATOM 145 N THR A 10 -2.506 -8.895 2.981 1.00 2.15 N ATOM 146 CA THR A 10 -2.540 -10.240 3.540 1.00 2.44 C ATOM 147 C THR A 10 -2.122 -10.295 5.013 1.00 2.12 C ATOM 148 O THR A 10 -1.164 -10.969 5.381 1.00 2.67 O ATOM 149 CB THR A 10 -1.693 -11.170 2.661 1.00 3.27 C ATOM 150 OG1 THR A 10 -1.788 -10.766 1.310 1.00 3.74 O ATOM 151 CG2 THR A 10 -2.137 -12.631 2.773 1.00 3.31 C ATOM 0 H THR A 10 -1.694 -8.730 2.387 1.00 2.15 H new ATOM 0 HA THR A 10 -3.575 -10.583 3.534 1.00 2.44 H new ATOM 0 HB THR A 10 -0.663 -11.099 3.012 1.00 3.27 H new ATOM 0 HG1 THR A 10 -1.845 -11.558 0.735 1.00 3.74 H new ATOM 0 HG21 THR A 10 -1.509 -13.252 2.134 1.00 3.31 H new ATOM 0 HG22 THR A 10 -2.042 -12.962 3.807 1.00 3.31 H new ATOM 0 HG23 THR A 10 -3.177 -12.721 2.458 1.00 3.31 H new ATOM 159 N GLY A 11 -2.911 -9.646 5.862 1.00 1.60 N ATOM 160 CA GLY A 11 -2.982 -9.950 7.281 1.00 1.53 C ATOM 161 C GLY A 11 -4.285 -9.352 7.771 1.00 2.01 C ATOM 162 O GLY A 11 -5.160 -10.069 8.247 1.00 3.51 O ATOM 0 H GLY A 11 -3.526 -8.884 5.577 1.00 1.60 H new ATOM 0 HA2 GLY A 11 -2.958 -11.026 7.451 1.00 1.53 H new ATOM 0 HA3 GLY A 11 -2.132 -9.524 7.814 1.00 1.53 H new ATOM 166 N MET A 12 -4.410 -8.029 7.629 1.00 1.63 N ATOM 167 CA MET A 12 -5.555 -7.252 8.096 1.00 2.30 C ATOM 168 C MET A 12 -5.823 -7.490 9.593 1.00 3.13 C ATOM 169 O MET A 12 -6.942 -7.303 10.065 1.00 4.78 O ATOM 170 CB MET A 12 -6.778 -7.636 7.251 1.00 2.67 C ATOM 171 CG MET A 12 -7.745 -6.470 7.055 1.00 2.34 C ATOM 172 SD MET A 12 -9.427 -6.945 6.566 1.00 3.39 S ATOM 173 CE MET A 12 -9.077 -8.105 5.228 1.00 4.30 C ATOM 0 H MET A 12 -3.698 -7.457 7.174 1.00 1.63 H new ATOM 0 HA MET A 12 -5.343 -6.189 7.980 1.00 2.30 H new ATOM 0 HB2 MET A 12 -6.444 -7.994 6.277 1.00 2.67 H new ATOM 0 HB3 MET A 12 -7.303 -8.462 7.732 1.00 2.67 H new ATOM 0 HG2 MET A 12 -7.799 -5.902 7.984 1.00 2.34 H new ATOM 0 HG3 MET A 12 -7.337 -5.802 6.296 1.00 2.34 H new ATOM 0 HE1 MET A 12 -9.993 -8.308 4.674 1.00 4.30 H new ATOM 0 HE2 MET A 12 -8.335 -7.673 4.557 1.00 4.30 H new ATOM 0 HE3 MET A 12 -8.691 -9.035 5.645 1.00 4.30 H new ATOM 183 N THR A 13 -4.803 -7.966 10.310 1.00 2.54 N ATOM 184 CA THR A 13 -4.942 -8.697 11.564 1.00 3.39 C ATOM 185 C THR A 13 -3.621 -8.673 12.327 1.00 2.57 C ATOM 186 O THR A 13 -3.638 -8.603 13.555 1.00 3.23 O ATOM 187 CB THR A 13 -5.360 -10.162 11.310 1.00 4.62 C ATOM 188 OG1 THR A 13 -6.551 -10.239 10.559 1.00 5.62 O ATOM 189 CG2 THR A 13 -5.601 -10.937 12.609 1.00 5.41 C ATOM 0 H THR A 13 -3.831 -7.848 10.023 1.00 2.54 H new ATOM 0 HA THR A 13 -5.719 -8.211 12.154 1.00 3.39 H new ATOM 0 HB THR A 13 -4.527 -10.604 10.763 1.00 4.62 H new ATOM 0 HG1 THR A 13 -6.338 -10.196 9.603 1.00 5.62 H new ATOM 0 HG21 THR A 13 -5.892 -11.961 12.373 1.00 5.41 H new ATOM 0 HG22 THR A 13 -4.686 -10.947 13.202 1.00 5.41 H new ATOM 0 HG23 THR A 13 -6.396 -10.455 13.178 1.00 5.41 H new ATOM 197 N CYS A 14 -2.481 -8.788 11.628 1.00 1.75 N ATOM 198 CA CYS A 14 -1.205 -8.790 12.305 1.00 1.64 C ATOM 199 C CYS A 14 -1.066 -7.475 13.083 1.00 2.02 C ATOM 200 O CYS A 14 -1.351 -6.408 12.546 1.00 3.34 O ATOM 201 CB CYS A 14 -0.046 -9.081 11.338 1.00 1.82 C ATOM 202 SG CYS A 14 0.122 -7.854 10.017 1.00 2.48 S ATOM 0 H CYS A 14 -2.431 -8.879 10.613 1.00 1.75 H new ATOM 0 HA CYS A 14 -1.158 -9.606 13.026 1.00 1.64 H new ATOM 0 HB2 CYS A 14 0.885 -9.124 11.903 1.00 1.82 H new ATOM 0 HB3 CYS A 14 -0.194 -10.065 10.892 1.00 1.82 H new ATOM 0 HG CYS A 14 -1.044 -7.348 9.744 1.00 2.48 H new ATOM 207 N ALA A 15 -0.654 -7.525 14.353 1.00 2.17 N ATOM 208 CA ALA A 15 -0.490 -6.307 15.147 1.00 2.44 C ATOM 209 C ALA A 15 0.418 -5.308 14.417 1.00 2.31 C ATOM 210 O ALA A 15 0.258 -4.096 14.530 1.00 4.01 O ATOM 211 CB ALA A 15 0.069 -6.658 16.527 1.00 3.13 C ATOM 0 H ALA A 15 -0.430 -8.388 14.849 1.00 2.17 H new ATOM 0 HA ALA A 15 -1.463 -5.834 15.281 1.00 2.44 H new ATOM 0 HB1 ALA A 15 0.189 -5.747 17.113 1.00 3.13 H new ATOM 0 HB2 ALA A 15 -0.620 -7.331 17.038 1.00 3.13 H new ATOM 0 HB3 ALA A 15 1.037 -7.147 16.414 1.00 3.13 H new ATOM 217 N SER A 16 1.363 -5.844 13.646 1.00 1.20 N ATOM 218 CA SER A 16 2.231 -5.128 12.743 1.00 1.34 C ATOM 219 C SER A 16 1.503 -4.230 11.746 1.00 1.63 C ATOM 220 O SER A 16 2.066 -3.205 11.398 1.00 1.96 O ATOM 221 CB SER A 16 2.973 -6.171 11.916 1.00 2.83 C ATOM 222 OG SER A 16 3.280 -7.298 12.723 1.00 3.44 O ATOM 0 H SER A 16 1.545 -6.848 13.643 1.00 1.20 H new ATOM 0 HA SER A 16 2.868 -4.490 13.356 1.00 1.34 H new ATOM 0 HB2 SER A 16 2.362 -6.476 11.067 1.00 2.83 H new ATOM 0 HB3 SER A 16 3.890 -5.742 11.511 1.00 2.83 H new ATOM 0 HG SER A 16 3.755 -7.966 12.185 1.00 3.44 H new ATOM 228 N CYS A 17 0.367 -4.674 11.192 1.00 2.16 N ATOM 229 CA CYS A 17 -0.095 -4.379 9.828 1.00 2.84 C ATOM 230 C CYS A 17 0.284 -2.963 9.400 1.00 2.38 C ATOM 231 O CYS A 17 1.001 -2.733 8.432 1.00 2.36 O ATOM 232 CB CYS A 17 -1.621 -4.603 9.714 1.00 3.70 C ATOM 233 SG CYS A 17 -2.055 -5.575 8.243 1.00 4.81 S ATOM 0 H CYS A 17 -0.282 -5.273 11.702 1.00 2.16 H new ATOM 0 HA CYS A 17 0.407 -5.068 9.149 1.00 2.84 H new ATOM 0 HB2 CYS A 17 -1.980 -5.115 10.607 1.00 3.70 H new ATOM 0 HB3 CYS A 17 -2.127 -3.639 9.674 1.00 3.70 H new ATOM 0 HG CYS A 17 -3.308 -5.388 7.953 1.00 4.81 H new ATOM 238 N VAL A 18 -0.176 -2.006 10.184 1.00 2.13 N ATOM 239 CA VAL A 18 0.012 -0.599 9.933 1.00 1.91 C ATOM 240 C VAL A 18 1.483 -0.193 9.953 1.00 1.42 C ATOM 241 O VAL A 18 1.974 0.392 8.993 1.00 1.23 O ATOM 242 CB VAL A 18 -0.923 0.199 10.856 1.00 2.10 C ATOM 243 CG1 VAL A 18 -0.330 0.962 12.029 1.00 3.31 C ATOM 244 CG2 VAL A 18 -1.658 1.186 9.979 1.00 3.11 C ATOM 0 H VAL A 18 -0.705 -2.197 11.035 1.00 2.13 H new ATOM 0 HA VAL A 18 -0.280 -0.352 8.912 1.00 1.91 H new ATOM 0 HB VAL A 18 -1.534 -0.560 11.344 1.00 2.10 H new ATOM 0 HG11 VAL A 18 -1.127 1.468 12.574 1.00 3.31 H new ATOM 0 HG12 VAL A 18 0.180 0.266 12.695 1.00 3.31 H new ATOM 0 HG13 VAL A 18 0.382 1.700 11.660 1.00 3.31 H new ATOM 0 HG21 VAL A 18 -2.338 1.780 10.590 1.00 3.11 H new ATOM 0 HG22 VAL A 18 -0.939 1.845 9.491 1.00 3.11 H new ATOM 0 HG23 VAL A 18 -2.228 0.647 9.222 1.00 3.11 H new ATOM 254 N ALA A 19 2.201 -0.586 11.005 1.00 1.26 N ATOM 255 CA ALA A 19 3.641 -0.426 11.122 1.00 0.97 C ATOM 256 C ALA A 19 4.350 -1.055 9.918 1.00 1.20 C ATOM 257 O ALA A 19 5.265 -0.463 9.343 1.00 1.14 O ATOM 258 CB ALA A 19 4.103 -1.077 12.431 1.00 1.10 C ATOM 0 H ALA A 19 1.781 -1.036 11.818 1.00 1.26 H new ATOM 0 HA ALA A 19 3.895 0.634 11.136 1.00 0.97 H new ATOM 0 HB1 ALA A 19 5.182 -0.965 12.532 1.00 1.10 H new ATOM 0 HB2 ALA A 19 3.607 -0.593 13.273 1.00 1.10 H new ATOM 0 HB3 ALA A 19 3.848 -2.137 12.420 1.00 1.10 H new ATOM 264 N ASN A 20 3.922 -2.262 9.532 1.00 1.65 N ATOM 265 CA ASN A 20 4.432 -2.949 8.351 1.00 2.01 C ATOM 266 C ASN A 20 4.276 -2.026 7.144 1.00 1.73 C ATOM 267 O ASN A 20 5.258 -1.655 6.511 1.00 1.69 O ATOM 268 CB ASN A 20 3.769 -4.333 8.157 1.00 2.59 C ATOM 269 CG ASN A 20 3.195 -4.537 6.751 1.00 3.31 C ATOM 270 OD1 ASN A 20 3.933 -4.732 5.791 1.00 3.67 O ATOM 271 ND2 ASN A 20 1.877 -4.433 6.621 1.00 3.67 N ATOM 0 H ASN A 20 3.208 -2.788 10.036 1.00 1.65 H new ATOM 0 HA ASN A 20 5.492 -3.167 8.478 1.00 2.01 H new ATOM 0 HB2 ASN A 20 4.504 -5.112 8.359 1.00 2.59 H new ATOM 0 HB3 ASN A 20 2.970 -4.452 8.889 1.00 2.59 H new ATOM 0 HD21 ASN A 20 1.447 -4.516 5.700 1.00 3.67 H new ATOM 0 HD22 ASN A 20 1.295 -4.271 7.443 1.00 3.67 H new ATOM 278 N ILE A 21 3.051 -1.622 6.822 1.00 1.63 N ATOM 279 CA ILE A 21 2.798 -0.851 5.637 1.00 1.46 C ATOM 280 C ILE A 21 3.556 0.487 5.679 1.00 1.06 C ATOM 281 O ILE A 21 4.150 0.897 4.680 1.00 1.08 O ATOM 282 CB ILE A 21 1.282 -0.779 5.402 1.00 1.67 C ATOM 283 CG1 ILE A 21 0.768 -1.955 4.559 1.00 2.13 C ATOM 284 CG2 ILE A 21 0.865 0.503 4.704 1.00 1.80 C ATOM 285 CD1 ILE A 21 -0.635 -2.350 5.026 1.00 2.74 C ATOM 0 H ILE A 21 2.220 -1.824 7.378 1.00 1.63 H new ATOM 0 HA ILE A 21 3.203 -1.334 4.748 1.00 1.46 H new ATOM 0 HB ILE A 21 0.842 -0.816 6.399 1.00 1.67 H new ATOM 0 HG12 ILE A 21 0.746 -1.677 3.505 1.00 2.13 H new ATOM 0 HG13 ILE A 21 1.445 -2.804 4.651 1.00 2.13 H new ATOM 0 HG21 ILE A 21 -0.216 0.505 4.561 1.00 1.80 H new ATOM 0 HG22 ILE A 21 1.152 1.359 5.314 1.00 1.80 H new ATOM 0 HG23 ILE A 21 1.359 0.567 3.734 1.00 1.80 H new ATOM 0 HD11 ILE A 21 -0.997 -3.185 4.426 1.00 2.74 H new ATOM 0 HD12 ILE A 21 -0.600 -2.646 6.075 1.00 2.74 H new ATOM 0 HD13 ILE A 21 -1.309 -1.501 4.911 1.00 2.74 H new ATOM 297 N GLU A 22 3.571 1.158 6.827 1.00 0.82 N ATOM 298 CA GLU A 22 4.333 2.370 7.089 1.00 0.77 C ATOM 299 C GLU A 22 5.841 2.169 6.942 1.00 1.04 C ATOM 300 O GLU A 22 6.541 3.126 6.626 1.00 1.46 O ATOM 301 CB GLU A 22 3.908 2.920 8.447 1.00 0.85 C ATOM 302 CG GLU A 22 2.472 3.475 8.337 1.00 1.10 C ATOM 303 CD GLU A 22 1.763 3.563 9.683 1.00 2.19 C ATOM 304 OE1 GLU A 22 2.439 3.347 10.712 1.00 2.65 O ATOM 305 OE2 GLU A 22 0.552 3.869 9.653 1.00 3.61 O ATOM 0 H GLU A 22 3.027 0.856 7.635 1.00 0.82 H new ATOM 0 HA GLU A 22 4.105 3.117 6.329 1.00 0.77 H new ATOM 0 HB2 GLU A 22 3.951 2.135 9.202 1.00 0.85 H new ATOM 0 HB3 GLU A 22 4.592 3.706 8.766 1.00 0.85 H new ATOM 0 HG2 GLU A 22 2.505 4.466 7.885 1.00 1.10 H new ATOM 0 HG3 GLU A 22 1.893 2.838 7.668 1.00 1.10 H new ATOM 312 N ARG A 23 6.358 0.952 7.115 1.00 1.23 N ATOM 313 CA ARG A 23 7.661 0.585 6.568 1.00 1.69 C ATOM 314 C ARG A 23 7.613 0.402 5.043 1.00 1.77 C ATOM 315 O ARG A 23 8.549 0.790 4.346 1.00 2.00 O ATOM 316 CB ARG A 23 8.202 -0.671 7.270 1.00 2.09 C ATOM 317 CG ARG A 23 8.759 -0.336 8.657 1.00 2.33 C ATOM 318 CD ARG A 23 10.256 -0.022 8.567 1.00 2.71 C ATOM 319 NE ARG A 23 11.021 -1.252 8.299 1.00 4.29 N ATOM 320 CZ ARG A 23 12.358 -1.343 8.211 1.00 5.41 C ATOM 321 NH1 ARG A 23 13.110 -0.247 8.359 1.00 5.39 N ATOM 322 NH2 ARG A 23 12.933 -2.528 7.978 1.00 7.13 N ATOM 0 H ARG A 23 5.893 0.205 7.630 1.00 1.23 H new ATOM 0 HA ARG A 23 8.348 1.408 6.762 1.00 1.69 H new ATOM 0 HB2 ARG A 23 7.406 -1.409 7.364 1.00 2.09 H new ATOM 0 HB3 ARG A 23 8.985 -1.122 6.660 1.00 2.09 H new ATOM 0 HG2 ARG A 23 8.226 0.518 9.074 1.00 2.33 H new ATOM 0 HG3 ARG A 23 8.596 -1.175 9.334 1.00 2.33 H new ATOM 0 HD2 ARG A 23 10.435 0.705 7.775 1.00 2.71 H new ATOM 0 HD3 ARG A 23 10.596 0.430 9.498 1.00 2.71 H new ATOM 0 HE ARG A 23 10.487 -2.112 8.169 1.00 4.29 H new ATOM 0 HH11 ARG A 23 12.668 0.655 8.538 1.00 5.39 H new ATOM 0 HH12 ARG A 23 14.126 -0.313 8.293 1.00 5.39 H new ATOM 0 HH21 ARG A 23 12.356 -3.362 7.867 1.00 7.13 H new ATOM 0 HH22 ARG A 23 13.948 -2.598 7.911 1.00 7.13 H new ATOM 336 N ASN A 24 6.566 -0.247 4.526 1.00 1.79 N ATOM 337 CA ASN A 24 6.548 -0.859 3.209 1.00 2.16 C ATOM 338 C ASN A 24 6.526 0.151 2.063 1.00 1.94 C ATOM 339 O ASN A 24 7.308 0.009 1.121 1.00 2.37 O ATOM 340 CB ASN A 24 5.473 -1.966 3.145 1.00 2.48 C ATOM 341 CG ASN A 24 4.201 -1.726 2.322 1.00 3.15 C ATOM 342 OD1 ASN A 24 3.920 -2.495 1.412 1.00 4.43 O ATOM 343 ND2 ASN A 24 3.354 -0.740 2.625 1.00 3.17 N ATOM 0 H ASN A 24 5.687 -0.360 5.031 1.00 1.79 H new ATOM 0 HA ASN A 24 7.503 -1.360 3.051 1.00 2.16 H new ATOM 0 HB2 ASN A 24 5.951 -2.865 2.756 1.00 2.48 H new ATOM 0 HB3 ASN A 24 5.166 -2.185 4.168 1.00 2.48 H new ATOM 0 HD21 ASN A 24 2.485 -0.635 2.101 1.00 3.17 H new ATOM 0 HD22 ASN A 24 3.575 -0.092 3.381 1.00 3.17 H new ATOM 350 N LEU A 25 5.630 1.143 2.091 1.00 1.38 N ATOM 351 CA LEU A 25 5.505 2.089 1.006 1.00 1.10 C ATOM 352 C LEU A 25 6.586 3.155 1.025 1.00 1.24 C ATOM 353 O LEU A 25 7.354 3.253 0.078 1.00 1.84 O ATOM 354 CB LEU A 25 4.061 2.597 0.978 1.00 0.88 C ATOM 355 CG LEU A 25 3.354 1.915 -0.188 1.00 1.50 C ATOM 356 CD1 LEU A 25 3.363 0.384 -0.097 1.00 1.47 C ATOM 357 CD2 LEU A 25 1.884 2.278 -0.170 1.00 2.96 C ATOM 0 H LEU A 25 4.983 1.302 2.863 1.00 1.38 H new ATOM 0 HA LEU A 25 5.691 1.602 0.049 1.00 1.10 H new ATOM 0 HB2 LEU A 25 3.557 2.369 1.917 1.00 0.88 H new ATOM 0 HB3 LEU A 25 4.039 3.680 0.859 1.00 0.88 H new ATOM 0 HG LEU A 25 3.888 2.247 -1.079 1.00 1.50 H new ATOM 0 HD11 LEU A 25 2.843 -0.035 -0.959 1.00 1.47 H new ATOM 0 HD12 LEU A 25 4.393 0.026 -0.085 1.00 1.47 H new ATOM 0 HD13 LEU A 25 2.860 0.071 0.818 1.00 1.47 H new ATOM 0 HD21 LEU A 25 1.379 1.790 -1.004 1.00 2.96 H new ATOM 0 HD22 LEU A 25 1.439 1.947 0.768 1.00 2.96 H new ATOM 0 HD23 LEU A 25 1.775 3.359 -0.262 1.00 2.96 H new ATOM 369 N ARG A 26 6.649 3.929 2.111 1.00 1.10 N ATOM 370 CA ARG A 26 7.252 5.263 2.289 1.00 1.31 C ATOM 371 C ARG A 26 8.590 5.562 1.592 1.00 1.77 C ATOM 372 O ARG A 26 9.019 6.712 1.540 1.00 2.28 O ATOM 373 CB ARG A 26 7.474 5.496 3.779 1.00 1.38 C ATOM 374 CG ARG A 26 8.206 4.264 4.290 1.00 2.97 C ATOM 375 CD ARG A 26 8.997 4.549 5.567 1.00 3.79 C ATOM 376 NE ARG A 26 10.074 5.523 5.327 1.00 4.32 N ATOM 377 CZ ARG A 26 10.715 6.207 6.289 1.00 5.04 C ATOM 378 NH1 ARG A 26 10.428 5.974 7.574 1.00 5.23 N ATOM 379 NH2 ARG A 26 11.636 7.120 5.959 1.00 6.04 N ATOM 0 H ARG A 26 6.235 3.606 2.985 1.00 1.10 H new ATOM 0 HA ARG A 26 6.531 5.925 1.809 1.00 1.31 H new ATOM 0 HB2 ARG A 26 8.061 6.398 3.950 1.00 1.38 H new ATOM 0 HB3 ARG A 26 6.525 5.630 4.299 1.00 1.38 H new ATOM 0 HG2 ARG A 26 7.485 3.469 4.481 1.00 2.97 H new ATOM 0 HG3 ARG A 26 8.884 3.901 3.518 1.00 2.97 H new ATOM 0 HD2 ARG A 26 8.325 4.930 6.336 1.00 3.79 H new ATOM 0 HD3 ARG A 26 9.423 3.621 5.948 1.00 3.79 H new ATOM 0 HE ARG A 26 10.354 5.691 4.361 1.00 4.32 H new ATOM 0 HH11 ARG A 26 9.724 5.278 7.821 1.00 5.23 H new ATOM 0 HH12 ARG A 26 10.913 6.492 8.307 1.00 5.23 H new ATOM 0 HH21 ARG A 26 11.851 7.296 4.978 1.00 6.04 H new ATOM 0 HH22 ARG A 26 12.123 7.640 6.689 1.00 6.04 H new ATOM 393 N ARG A 27 9.313 4.517 1.220 1.00 2.02 N ATOM 394 CA ARG A 27 10.718 4.494 0.908 1.00 2.60 C ATOM 395 C ARG A 27 10.968 5.287 -0.366 1.00 2.31 C ATOM 396 O ARG A 27 11.840 6.152 -0.409 1.00 2.88 O ATOM 397 CB ARG A 27 11.121 3.028 0.720 1.00 3.45 C ATOM 398 CG ARG A 27 10.701 2.056 1.834 1.00 3.70 C ATOM 399 CD ARG A 27 11.011 0.630 1.354 1.00 4.96 C ATOM 400 NE ARG A 27 9.910 0.145 0.505 1.00 5.99 N ATOM 401 CZ ARG A 27 9.797 0.145 -0.835 1.00 6.81 C ATOM 402 NH1 ARG A 27 10.845 0.338 -1.637 1.00 6.70 N ATOM 403 NH2 ARG A 27 8.577 -0.036 -1.344 1.00 8.18 N ATOM 0 H ARG A 27 8.890 3.594 1.123 1.00 2.02 H new ATOM 0 HA ARG A 27 11.307 4.945 1.706 1.00 2.60 H new ATOM 0 HB2 ARG A 27 10.696 2.675 -0.220 1.00 3.45 H new ATOM 0 HB3 ARG A 27 12.205 2.982 0.617 1.00 3.45 H new ATOM 0 HG2 ARG A 27 11.241 2.275 2.755 1.00 3.70 H new ATOM 0 HG3 ARG A 27 9.639 2.163 2.054 1.00 3.70 H new ATOM 0 HD2 ARG A 27 11.947 0.619 0.795 1.00 4.96 H new ATOM 0 HD3 ARG A 27 11.143 -0.032 2.210 1.00 4.96 H new ATOM 0 HE ARG A 27 9.115 -0.249 1.008 1.00 5.99 H new ATOM 0 HH11 ARG A 27 11.771 0.492 -1.238 1.00 6.70 H new ATOM 0 HH12 ARG A 27 10.721 0.331 -2.649 1.00 6.70 H new ATOM 0 HH21 ARG A 27 7.779 -0.167 -0.722 1.00 8.18 H new ATOM 0 HH22 ARG A 27 8.442 -0.044 -2.355 1.00 8.18 H new ATOM 417 N GLU A 28 10.205 4.940 -1.402 1.00 1.99 N ATOM 418 CA GLU A 28 10.577 5.095 -2.800 1.00 2.56 C ATOM 419 C GLU A 28 9.545 4.315 -3.582 1.00 2.62 C ATOM 420 O GLU A 28 8.954 3.416 -2.993 1.00 3.79 O ATOM 421 CB GLU A 28 12.011 4.579 -3.066 1.00 4.24 C ATOM 422 CG GLU A 28 12.108 3.068 -2.783 1.00 5.08 C ATOM 423 CD GLU A 28 13.327 2.609 -1.994 1.00 6.47 C ATOM 424 OE1 GLU A 28 14.386 3.259 -2.110 1.00 7.22 O ATOM 425 OE2 GLU A 28 13.149 1.600 -1.268 1.00 7.07 O ATOM 0 H GLU A 28 9.279 4.529 -1.282 1.00 1.99 H new ATOM 0 HA GLU A 28 10.590 6.143 -3.098 1.00 2.56 H new ATOM 0 HB2 GLU A 28 12.288 4.779 -4.101 1.00 4.24 H new ATOM 0 HB3 GLU A 28 12.719 5.118 -2.437 1.00 4.24 H new ATOM 0 HG2 GLU A 28 11.214 2.763 -2.240 1.00 5.08 H new ATOM 0 HG3 GLU A 28 12.098 2.539 -3.736 1.00 5.08 H new ATOM 432 N GLU A 29 9.306 4.745 -4.828 1.00 2.48 N ATOM 433 CA GLU A 29 8.225 4.349 -5.727 1.00 3.27 C ATOM 434 C GLU A 29 7.089 5.370 -5.744 1.00 2.35 C ATOM 435 O GLU A 29 5.911 5.020 -5.734 1.00 2.74 O ATOM 436 CB GLU A 29 7.732 2.920 -5.468 1.00 4.61 C ATOM 437 CG GLU A 29 8.828 1.851 -5.651 1.00 5.37 C ATOM 438 CD GLU A 29 8.927 0.870 -4.484 1.00 6.43 C ATOM 439 OE1 GLU A 29 7.889 0.533 -3.871 1.00 7.15 O ATOM 440 OE2 GLU A 29 10.065 0.469 -4.159 1.00 7.05 O ATOM 0 H GLU A 29 9.917 5.436 -5.265 1.00 2.48 H new ATOM 0 HA GLU A 29 8.647 4.339 -6.732 1.00 3.27 H new ATOM 0 HB2 GLU A 29 7.340 2.857 -4.453 1.00 4.61 H new ATOM 0 HB3 GLU A 29 6.905 2.701 -6.143 1.00 4.61 H new ATOM 0 HG2 GLU A 29 8.631 1.294 -6.567 1.00 5.37 H new ATOM 0 HG3 GLU A 29 9.790 2.347 -5.780 1.00 5.37 H new ATOM 447 N GLY A 30 7.449 6.654 -5.825 1.00 1.74 N ATOM 448 CA GLY A 30 6.495 7.731 -6.026 1.00 0.98 C ATOM 449 C GLY A 30 5.403 7.753 -4.957 1.00 0.84 C ATOM 450 O GLY A 30 4.243 8.012 -5.270 1.00 0.92 O ATOM 0 H GLY A 30 8.416 6.970 -5.752 1.00 1.74 H new ATOM 0 HA2 GLY A 30 7.023 8.685 -6.021 1.00 0.98 H new ATOM 0 HA3 GLY A 30 6.035 7.626 -7.009 1.00 0.98 H new ATOM 454 N ILE A 31 5.789 7.550 -3.696 1.00 0.81 N ATOM 455 CA ILE A 31 4.857 7.657 -2.564 1.00 0.77 C ATOM 456 C ILE A 31 4.646 9.149 -2.294 1.00 0.73 C ATOM 457 O ILE A 31 5.626 9.890 -2.235 1.00 0.98 O ATOM 458 CB ILE A 31 5.434 7.060 -1.254 1.00 1.07 C ATOM 459 CG1 ILE A 31 5.755 5.570 -1.212 1.00 1.64 C ATOM 460 CG2 ILE A 31 4.433 7.214 -0.096 1.00 1.38 C ATOM 461 CD1 ILE A 31 6.614 5.037 -2.334 1.00 2.76 C ATOM 0 H ILE A 31 6.744 7.310 -3.429 1.00 0.81 H new ATOM 0 HA ILE A 31 3.948 7.116 -2.827 1.00 0.77 H new ATOM 0 HB ILE A 31 6.364 7.624 -1.180 1.00 1.07 H new ATOM 0 HG12 ILE A 31 6.254 5.354 -0.267 1.00 1.64 H new ATOM 0 HG13 ILE A 31 4.815 5.018 -1.209 1.00 1.64 H new ATOM 0 HG21 ILE A 31 4.859 6.788 0.812 1.00 1.38 H new ATOM 0 HG22 ILE A 31 4.221 8.271 0.064 1.00 1.38 H new ATOM 0 HG23 ILE A 31 3.508 6.692 -0.342 1.00 1.38 H new ATOM 0 HD11 ILE A 31 6.773 3.968 -2.194 1.00 2.76 H new ATOM 0 HD12 ILE A 31 6.114 5.208 -3.288 1.00 2.76 H new ATOM 0 HD13 ILE A 31 7.576 5.550 -2.331 1.00 2.76 H new ATOM 473 N TYR A 32 3.400 9.593 -2.079 1.00 0.72 N ATOM 474 CA TYR A 32 3.176 10.913 -1.488 1.00 1.04 C ATOM 475 C TYR A 32 1.999 10.947 -0.496 1.00 1.00 C ATOM 476 O TYR A 32 1.355 11.974 -0.281 1.00 1.22 O ATOM 477 CB TYR A 32 2.831 11.843 -2.654 1.00 1.49 C ATOM 478 CG TYR A 32 3.992 12.316 -3.506 1.00 1.74 C ATOM 479 CD1 TYR A 32 4.458 11.523 -4.570 1.00 3.31 C ATOM 480 CD2 TYR A 32 4.553 13.590 -3.288 1.00 2.08 C ATOM 481 CE1 TYR A 32 5.495 11.987 -5.394 1.00 3.63 C ATOM 482 CE2 TYR A 32 5.559 14.072 -4.144 1.00 2.58 C ATOM 483 CZ TYR A 32 6.032 13.268 -5.194 1.00 2.78 C ATOM 484 OH TYR A 32 6.967 13.745 -6.063 1.00 3.43 O ATOM 0 H TYR A 32 2.553 9.070 -2.300 1.00 0.72 H new ATOM 0 HA TYR A 32 4.068 11.203 -0.933 1.00 1.04 H new ATOM 0 HB2 TYR A 32 2.119 11.330 -3.301 1.00 1.49 H new ATOM 0 HB3 TYR A 32 2.322 12.720 -2.253 1.00 1.49 H new ATOM 0 HD1 TYR A 32 4.017 10.554 -4.753 1.00 3.31 H new ATOM 0 HD2 TYR A 32 4.210 14.197 -2.463 1.00 2.08 H new ATOM 0 HE1 TYR A 32 5.880 11.358 -6.183 1.00 3.63 H new ATOM 0 HE2 TYR A 32 5.968 15.060 -3.994 1.00 2.58 H new ATOM 0 HH TYR A 32 7.239 14.646 -5.789 1.00 3.43 H new ATOM 494 N SER A 33 1.846 9.882 0.270 1.00 0.88 N ATOM 495 CA SER A 33 1.816 9.718 1.723 1.00 1.36 C ATOM 496 C SER A 33 1.956 8.209 1.927 1.00 1.30 C ATOM 497 O SER A 33 1.516 7.476 1.039 1.00 1.12 O ATOM 498 CB SER A 33 0.509 10.209 2.364 1.00 1.67 C ATOM 499 OG SER A 33 0.353 11.607 2.228 1.00 2.79 O ATOM 0 H SER A 33 1.721 8.974 -0.177 1.00 0.88 H new ATOM 0 HA SER A 33 2.602 10.309 2.194 1.00 1.36 H new ATOM 0 HB2 SER A 33 -0.337 9.702 1.900 1.00 1.67 H new ATOM 0 HB3 SER A 33 0.500 9.943 3.421 1.00 1.67 H new ATOM 0 HG SER A 33 0.608 11.878 1.321 1.00 2.79 H new ATOM 505 N ILE A 34 2.468 7.718 3.063 1.00 1.66 N ATOM 506 CA ILE A 34 2.179 6.354 3.435 1.00 1.50 C ATOM 507 C ILE A 34 1.040 6.454 4.435 1.00 2.36 C ATOM 508 O ILE A 34 1.018 7.359 5.267 1.00 3.16 O ATOM 509 CB ILE A 34 3.433 5.615 3.921 1.00 1.67 C ATOM 510 CG1 ILE A 34 3.185 4.111 3.837 1.00 2.62 C ATOM 511 CG2 ILE A 34 3.964 5.999 5.304 1.00 1.53 C ATOM 512 CD1 ILE A 34 2.091 3.573 4.751 1.00 2.66 C ATOM 0 H ILE A 34 3.063 8.234 3.711 1.00 1.66 H new ATOM 0 HA ILE A 34 1.866 5.734 2.595 1.00 1.50 H new ATOM 0 HB ILE A 34 4.231 5.934 3.250 1.00 1.67 H new ATOM 0 HG12 ILE A 34 2.930 3.860 2.808 1.00 2.62 H new ATOM 0 HG13 ILE A 34 4.116 3.594 4.070 1.00 2.62 H new ATOM 0 HG21 ILE A 34 4.851 5.407 5.531 1.00 1.53 H new ATOM 0 HG22 ILE A 34 4.222 7.058 5.313 1.00 1.53 H new ATOM 0 HG23 ILE A 34 3.197 5.806 6.055 1.00 1.53 H new ATOM 0 HD11 ILE A 34 1.998 2.496 4.612 1.00 2.66 H new ATOM 0 HD12 ILE A 34 2.348 3.784 5.789 1.00 2.66 H new ATOM 0 HD13 ILE A 34 1.144 4.054 4.507 1.00 2.66 H new ATOM 524 N LEU A 35 0.061 5.574 4.277 1.00 2.47 N ATOM 525 CA LEU A 35 -1.125 5.504 5.117 1.00 3.45 C ATOM 526 C LEU A 35 -1.724 4.109 5.071 1.00 2.35 C ATOM 527 O LEU A 35 -1.267 3.252 4.318 1.00 2.41 O ATOM 528 CB LEU A 35 -2.152 6.575 4.794 1.00 5.21 C ATOM 529 CG LEU A 35 -2.289 6.778 3.305 1.00 5.59 C ATOM 530 CD1 LEU A 35 -2.157 5.558 2.401 1.00 5.58 C ATOM 531 CD2 LEU A 35 -3.564 7.566 3.075 1.00 6.84 C ATOM 0 H LEU A 35 0.071 4.869 3.540 1.00 2.47 H new ATOM 0 HA LEU A 35 -0.807 5.710 6.139 1.00 3.45 H new ATOM 0 HB2 LEU A 35 -3.117 6.293 5.214 1.00 5.21 H new ATOM 0 HB3 LEU A 35 -1.861 7.514 5.265 1.00 5.21 H new ATOM 0 HG LEU A 35 -1.406 7.331 2.983 1.00 5.59 H new ATOM 0 HD11 LEU A 35 -2.279 5.861 1.361 1.00 5.58 H new ATOM 0 HD12 LEU A 35 -1.172 5.110 2.536 1.00 5.58 H new ATOM 0 HD13 LEU A 35 -2.926 4.829 2.659 1.00 5.58 H new ATOM 0 HD21 LEU A 35 -3.700 7.734 2.007 1.00 6.84 H new ATOM 0 HD22 LEU A 35 -4.414 7.005 3.465 1.00 6.84 H new ATOM 0 HD23 LEU A 35 -3.496 8.525 3.588 1.00 6.84 H new ATOM 543 N VAL A 36 -2.764 3.903 5.870 1.00 1.69 N ATOM 544 CA VAL A 36 -3.473 2.686 6.062 1.00 1.06 C ATOM 545 C VAL A 36 -4.835 3.062 6.614 1.00 1.03 C ATOM 546 O VAL A 36 -4.965 3.554 7.735 1.00 1.56 O ATOM 547 CB VAL A 36 -2.752 1.806 7.071 1.00 1.02 C ATOM 548 CG1 VAL A 36 -3.482 0.479 7.070 1.00 1.71 C ATOM 549 CG2 VAL A 36 -1.346 1.478 6.631 1.00 1.24 C ATOM 0 H VAL A 36 -3.149 4.658 6.438 1.00 1.69 H new ATOM 0 HA VAL A 36 -3.552 2.134 5.125 1.00 1.06 H new ATOM 0 HB VAL A 36 -2.727 2.323 8.030 1.00 1.02 H new ATOM 0 HG11 VAL A 36 -3.007 -0.198 7.780 1.00 1.71 H new ATOM 0 HG12 VAL A 36 -4.522 0.635 7.358 1.00 1.71 H new ATOM 0 HG13 VAL A 36 -3.444 0.043 6.072 1.00 1.71 H new ATOM 0 HG21 VAL A 36 -0.868 0.848 7.381 1.00 1.24 H new ATOM 0 HG22 VAL A 36 -1.377 0.949 5.679 1.00 1.24 H new ATOM 0 HG23 VAL A 36 -0.776 2.400 6.515 1.00 1.24 H new ATOM 559 N ALA A 37 -5.857 2.737 5.852 1.00 1.33 N ATOM 560 CA ALA A 37 -7.230 2.799 6.343 1.00 1.42 C ATOM 561 C ALA A 37 -7.489 1.565 7.221 1.00 1.32 C ATOM 562 O ALA A 37 -8.341 0.727 6.912 1.00 1.09 O ATOM 563 CB ALA A 37 -8.202 2.873 5.162 1.00 1.34 C ATOM 0 H ALA A 37 -5.769 2.425 4.885 1.00 1.33 H new ATOM 0 HA ALA A 37 -7.384 3.694 6.945 1.00 1.42 H new ATOM 0 HB1 ALA A 37 -9.225 2.919 5.535 1.00 1.34 H new ATOM 0 HB2 ALA A 37 -7.990 3.765 4.572 1.00 1.34 H new ATOM 0 HB3 ALA A 37 -8.083 1.988 4.537 1.00 1.34 H new ATOM 569 N LEU A 38 -6.748 1.440 8.333 1.00 1.60 N ATOM 570 CA LEU A 38 -6.738 0.188 9.084 1.00 1.56 C ATOM 571 C LEU A 38 -8.109 -0.125 9.678 1.00 1.50 C ATOM 572 O LEU A 38 -8.506 -1.283 9.748 1.00 1.55 O ATOM 573 CB LEU A 38 -5.629 0.094 10.141 1.00 1.87 C ATOM 574 CG LEU A 38 -4.716 -1.137 9.957 1.00 1.82 C ATOM 575 CD1 LEU A 38 -4.136 -1.512 11.326 1.00 2.41 C ATOM 576 CD2 LEU A 38 -5.331 -2.415 9.362 1.00 2.65 C ATOM 0 H LEU A 38 -6.161 2.178 8.721 1.00 1.60 H new ATOM 0 HA LEU A 38 -6.500 -0.582 8.350 1.00 1.56 H new ATOM 0 HB2 LEU A 38 -5.021 0.998 10.102 1.00 1.87 H new ATOM 0 HB3 LEU A 38 -6.082 0.057 11.132 1.00 1.87 H new ATOM 0 HG LEU A 38 -3.989 -0.807 9.215 1.00 1.82 H new ATOM 0 HD11 LEU A 38 -3.486 -2.381 11.220 1.00 2.41 H new ATOM 0 HD12 LEU A 38 -3.560 -0.674 11.719 1.00 2.41 H new ATOM 0 HD13 LEU A 38 -4.949 -1.748 12.013 1.00 2.41 H new ATOM 0 HD21 LEU A 38 -4.567 -3.189 9.295 1.00 2.65 H new ATOM 0 HD22 LEU A 38 -6.143 -2.760 10.002 1.00 2.65 H new ATOM 0 HD23 LEU A 38 -5.720 -2.202 8.366 1.00 2.65 H new ATOM 588 N MET A 39 -8.858 0.915 10.053 1.00 1.63 N ATOM 589 CA MET A 39 -10.235 0.786 10.505 1.00 1.77 C ATOM 590 C MET A 39 -11.095 0.054 9.464 1.00 1.60 C ATOM 591 O MET A 39 -11.995 -0.699 9.825 1.00 1.79 O ATOM 592 CB MET A 39 -10.783 2.186 10.816 1.00 2.13 C ATOM 593 CG MET A 39 -12.157 2.128 11.496 1.00 3.40 C ATOM 594 SD MET A 39 -12.783 3.707 12.130 1.00 3.89 S ATOM 595 CE MET A 39 -12.937 4.657 10.601 1.00 5.66 C ATOM 0 H MET A 39 -8.518 1.876 10.049 1.00 1.63 H new ATOM 0 HA MET A 39 -10.269 0.182 11.411 1.00 1.77 H new ATOM 0 HB2 MET A 39 -10.081 2.715 11.461 1.00 2.13 H new ATOM 0 HB3 MET A 39 -10.860 2.759 9.892 1.00 2.13 H new ATOM 0 HG2 MET A 39 -12.879 1.731 10.783 1.00 3.40 H new ATOM 0 HG3 MET A 39 -12.104 1.420 12.323 1.00 3.40 H new ATOM 0 HE1 MET A 39 -13.395 5.622 10.817 1.00 5.66 H new ATOM 0 HE2 MET A 39 -11.949 4.813 10.168 1.00 5.66 H new ATOM 0 HE3 MET A 39 -13.560 4.110 9.894 1.00 5.66 H new ATOM 605 N ALA A 40 -10.824 0.280 8.173 1.00 1.51 N ATOM 606 CA ALA A 40 -11.501 -0.399 7.076 1.00 1.50 C ATOM 607 C ALA A 40 -10.805 -1.727 6.740 1.00 1.31 C ATOM 608 O ALA A 40 -11.391 -2.602 6.098 1.00 1.76 O ATOM 609 CB ALA A 40 -11.550 0.542 5.870 1.00 1.56 C ATOM 0 H ALA A 40 -10.119 0.949 7.863 1.00 1.51 H new ATOM 0 HA ALA A 40 -12.521 -0.648 7.368 1.00 1.50 H new ATOM 0 HB1 ALA A 40 -12.055 0.045 5.041 1.00 1.56 H new ATOM 0 HB2 ALA A 40 -12.095 1.447 6.137 1.00 1.56 H new ATOM 0 HB3 ALA A 40 -10.535 0.804 5.572 1.00 1.56 H new ATOM 615 N GLY A 41 -9.536 -1.865 7.132 1.00 0.86 N ATOM 616 CA GLY A 41 -8.773 -3.098 7.100 1.00 0.79 C ATOM 617 C GLY A 41 -8.201 -3.249 5.714 1.00 0.65 C ATOM 618 O GLY A 41 -8.613 -4.138 4.972 1.00 0.73 O ATOM 0 H GLY A 41 -8.995 -1.080 7.495 1.00 0.86 H new ATOM 0 HA2 GLY A 41 -7.975 -3.073 7.842 1.00 0.79 H new ATOM 0 HA3 GLY A 41 -9.410 -3.948 7.345 1.00 0.79 H new ATOM 622 N LYS A 42 -7.386 -2.292 5.281 1.00 0.65 N ATOM 623 CA LYS A 42 -6.661 -2.380 4.043 1.00 1.16 C ATOM 624 C LYS A 42 -5.575 -1.324 4.108 1.00 0.95 C ATOM 625 O LYS A 42 -5.667 -0.421 4.941 1.00 0.47 O ATOM 626 CB LYS A 42 -7.621 -2.223 2.864 1.00 1.80 C ATOM 627 CG LYS A 42 -8.580 -1.030 2.926 1.00 1.77 C ATOM 628 CD LYS A 42 -9.846 -1.335 2.104 1.00 2.08 C ATOM 629 CE LYS A 42 -10.992 -1.909 2.958 1.00 3.01 C ATOM 630 NZ LYS A 42 -10.699 -3.203 3.614 1.00 4.93 N ATOM 0 H LYS A 42 -7.217 -1.428 5.795 1.00 0.65 H new ATOM 0 HA LYS A 42 -6.191 -3.352 3.893 1.00 1.16 H new ATOM 0 HB2 LYS A 42 -7.031 -2.141 1.951 1.00 1.80 H new ATOM 0 HB3 LYS A 42 -8.213 -3.134 2.781 1.00 1.80 H new ATOM 0 HG2 LYS A 42 -8.849 -0.821 3.961 1.00 1.77 H new ATOM 0 HG3 LYS A 42 -8.090 -0.137 2.538 1.00 1.77 H new ATOM 0 HD2 LYS A 42 -10.186 -0.421 1.617 1.00 2.08 H new ATOM 0 HD3 LYS A 42 -9.598 -2.044 1.314 1.00 2.08 H new ATOM 0 HE2 LYS A 42 -11.252 -1.181 3.726 1.00 3.01 H new ATOM 0 HE3 LYS A 42 -11.870 -2.031 2.324 1.00 3.01 H new ATOM 0 HZ1 LYS A 42 -11.138 -3.222 4.557 1.00 4.93 H new ATOM 0 HZ2 LYS A 42 -11.083 -3.979 3.038 1.00 4.93 H new ATOM 0 HZ3 LYS A 42 -9.670 -3.319 3.709 1.00 4.93 H new ATOM 644 N ALA A 43 -4.616 -1.379 3.189 1.00 1.65 N ATOM 645 CA ALA A 43 -3.699 -0.280 3.002 1.00 1.34 C ATOM 646 C ALA A 43 -4.462 0.772 2.212 1.00 1.19 C ATOM 647 O ALA A 43 -5.287 0.440 1.354 1.00 1.24 O ATOM 648 CB ALA A 43 -2.461 -0.748 2.234 1.00 1.45 C ATOM 0 H ALA A 43 -4.461 -2.173 2.568 1.00 1.65 H new ATOM 0 HA ALA A 43 -3.349 0.121 3.953 1.00 1.34 H new ATOM 0 HB1 ALA A 43 -1.778 0.090 2.100 1.00 1.45 H new ATOM 0 HB2 ALA A 43 -1.961 -1.537 2.796 1.00 1.45 H new ATOM 0 HB3 ALA A 43 -2.761 -1.131 1.259 1.00 1.45 H new ATOM 654 N GLU A 44 -4.180 2.039 2.505 1.00 1.14 N ATOM 655 CA GLU A 44 -4.321 3.043 1.480 1.00 1.21 C ATOM 656 C GLU A 44 -2.933 3.198 0.856 1.00 1.62 C ATOM 657 O GLU A 44 -1.948 2.729 1.426 1.00 2.80 O ATOM 658 CB GLU A 44 -5.016 4.322 1.983 1.00 1.41 C ATOM 659 CG GLU A 44 -6.546 4.229 1.887 1.00 1.30 C ATOM 660 CD GLU A 44 -7.203 5.591 2.065 1.00 1.67 C ATOM 661 OE1 GLU A 44 -6.775 6.532 1.362 1.00 2.91 O ATOM 662 OE2 GLU A 44 -8.203 5.693 2.808 1.00 2.19 O ATOM 0 H GLU A 44 -3.864 2.377 3.414 1.00 1.14 H new ATOM 0 HA GLU A 44 -5.014 2.748 0.692 1.00 1.21 H new ATOM 0 HB2 GLU A 44 -4.729 4.505 3.019 1.00 1.41 H new ATOM 0 HB3 GLU A 44 -4.669 5.175 1.400 1.00 1.41 H new ATOM 0 HG2 GLU A 44 -6.826 3.813 0.919 1.00 1.30 H new ATOM 0 HG3 GLU A 44 -6.918 3.543 2.648 1.00 1.30 H new ATOM 669 N VAL A 45 -2.824 3.874 -0.281 1.00 0.91 N ATOM 670 CA VAL A 45 -1.606 4.480 -0.721 1.00 0.94 C ATOM 671 C VAL A 45 -2.018 5.872 -1.196 1.00 0.93 C ATOM 672 O VAL A 45 -3.086 5.989 -1.799 1.00 1.03 O ATOM 673 CB VAL A 45 -1.004 3.604 -1.819 1.00 0.92 C ATOM 674 CG1 VAL A 45 -1.969 3.244 -2.956 1.00 1.16 C ATOM 675 CG2 VAL A 45 0.126 4.408 -2.416 1.00 1.58 C ATOM 0 H VAL A 45 -3.604 4.010 -0.925 1.00 0.91 H new ATOM 0 HA VAL A 45 -0.835 4.571 0.044 1.00 0.94 H new ATOM 0 HB VAL A 45 -0.706 2.659 -1.365 1.00 0.92 H new ATOM 0 HG11 VAL A 45 -1.454 2.621 -3.687 1.00 1.16 H new ATOM 0 HG12 VAL A 45 -2.821 2.698 -2.551 1.00 1.16 H new ATOM 0 HG13 VAL A 45 -2.319 4.156 -3.439 1.00 1.16 H new ATOM 0 HG21 VAL A 45 0.600 3.834 -3.212 1.00 1.58 H new ATOM 0 HG22 VAL A 45 -0.266 5.339 -2.825 1.00 1.58 H new ATOM 0 HG23 VAL A 45 0.861 4.632 -1.643 1.00 1.58 H new ATOM 685 N ARG A 46 -1.200 6.902 -0.942 1.00 0.90 N ATOM 686 CA ARG A 46 -1.243 8.132 -1.718 1.00 0.85 C ATOM 687 C ARG A 46 0.074 8.214 -2.476 1.00 0.76 C ATOM 688 O ARG A 46 1.132 8.002 -1.884 1.00 0.80 O ATOM 689 CB ARG A 46 -1.509 9.368 -0.851 1.00 0.83 C ATOM 690 CG ARG A 46 -1.846 10.540 -1.779 1.00 0.96 C ATOM 691 CD ARG A 46 -2.061 11.873 -1.066 1.00 1.15 C ATOM 692 NE ARG A 46 -2.340 12.900 -2.080 1.00 2.36 N ATOM 693 CZ ARG A 46 -2.392 14.224 -1.896 1.00 3.40 C ATOM 694 NH1 ARG A 46 -2.249 14.742 -0.671 1.00 3.39 N ATOM 695 NH2 ARG A 46 -2.583 15.003 -2.965 1.00 5.03 N ATOM 0 H ARG A 46 -0.500 6.900 -0.200 1.00 0.90 H new ATOM 0 HA ARG A 46 -2.081 8.115 -2.415 1.00 0.85 H new ATOM 0 HB2 ARG A 46 -2.333 9.179 -0.162 1.00 0.83 H new ATOM 0 HB3 ARG A 46 -0.634 9.603 -0.245 1.00 0.83 H new ATOM 0 HG2 ARG A 46 -1.040 10.656 -2.504 1.00 0.96 H new ATOM 0 HG3 ARG A 46 -2.747 10.294 -2.341 1.00 0.96 H new ATOM 0 HD2 ARG A 46 -2.891 11.798 -0.363 1.00 1.15 H new ATOM 0 HD3 ARG A 46 -1.177 12.141 -0.488 1.00 1.15 H new ATOM 0 HE ARG A 46 -2.513 12.566 -3.028 1.00 2.36 H new ATOM 0 HH11 ARG A 46 -2.099 14.127 0.129 1.00 3.39 H new ATOM 0 HH12 ARG A 46 -2.290 15.752 -0.537 1.00 3.39 H new ATOM 0 HH21 ARG A 46 -2.685 14.584 -3.890 1.00 5.03 H new ATOM 0 HH22 ARG A 46 -2.627 16.016 -2.856 1.00 5.03 H new ATOM 709 N TYR A 47 0.014 8.440 -3.788 1.00 0.70 N ATOM 710 CA TYR A 47 1.125 8.188 -4.683 1.00 0.65 C ATOM 711 C TYR A 47 1.019 9.010 -5.961 1.00 0.61 C ATOM 712 O TYR A 47 0.000 9.650 -6.224 1.00 0.63 O ATOM 713 CB TYR A 47 1.185 6.697 -5.024 1.00 0.64 C ATOM 714 CG TYR A 47 0.040 6.188 -5.889 1.00 0.57 C ATOM 715 CD1 TYR A 47 -1.283 6.131 -5.406 1.00 1.89 C ATOM 716 CD2 TYR A 47 0.319 5.723 -7.184 1.00 1.76 C ATOM 717 CE1 TYR A 47 -2.296 5.544 -6.183 1.00 1.91 C ATOM 718 CE2 TYR A 47 -0.676 5.081 -7.933 1.00 1.85 C ATOM 719 CZ TYR A 47 -1.980 4.968 -7.424 1.00 0.87 C ATOM 720 OH TYR A 47 -2.926 4.305 -8.145 1.00 1.20 O ATOM 0 H TYR A 47 -0.816 8.806 -4.255 1.00 0.70 H new ATOM 0 HA TYR A 47 2.041 8.487 -4.173 1.00 0.65 H new ATOM 0 HB2 TYR A 47 2.125 6.494 -5.537 1.00 0.64 H new ATOM 0 HB3 TYR A 47 1.199 6.127 -4.095 1.00 0.64 H new ATOM 0 HD1 TYR A 47 -1.519 6.540 -4.435 1.00 1.89 H new ATOM 0 HD2 TYR A 47 1.304 5.861 -7.604 1.00 1.76 H new ATOM 0 HE1 TYR A 47 -3.315 5.536 -5.826 1.00 1.91 H new ATOM 0 HE2 TYR A 47 -0.440 4.672 -8.904 1.00 1.85 H new ATOM 0 HH TYR A 47 -3.808 4.689 -7.959 1.00 1.20 H new ATOM 730 N ASN A 48 2.088 8.948 -6.752 1.00 0.63 N ATOM 731 CA ASN A 48 2.235 9.689 -8.002 1.00 0.66 C ATOM 732 C ASN A 48 2.157 8.748 -9.215 1.00 0.56 C ATOM 733 O ASN A 48 3.199 8.272 -9.678 1.00 0.68 O ATOM 734 CB ASN A 48 3.551 10.473 -7.961 1.00 0.99 C ATOM 735 CG ASN A 48 3.760 11.340 -9.199 1.00 1.20 C ATOM 736 OD1 ASN A 48 3.010 11.262 -10.166 1.00 2.41 O ATOM 737 ND2 ASN A 48 4.786 12.186 -9.182 1.00 1.76 N ATOM 0 H ASN A 48 2.897 8.366 -6.535 1.00 0.63 H new ATOM 0 HA ASN A 48 1.412 10.396 -8.111 1.00 0.66 H new ATOM 0 HB2 ASN A 48 3.565 11.105 -7.073 1.00 0.99 H new ATOM 0 HB3 ASN A 48 4.382 9.774 -7.867 1.00 0.99 H new ATOM 0 HD21 ASN A 48 4.963 12.789 -9.985 1.00 1.76 H new ATOM 0 HD22 ASN A 48 5.396 12.232 -8.365 1.00 1.76 H new ATOM 744 N PRO A 49 0.955 8.478 -9.760 1.00 0.71 N ATOM 745 CA PRO A 49 0.789 7.705 -10.987 1.00 0.87 C ATOM 746 C PRO A 49 1.344 8.487 -12.182 1.00 1.24 C ATOM 747 O PRO A 49 0.603 9.106 -12.950 1.00 2.03 O ATOM 748 CB PRO A 49 -0.710 7.437 -11.100 1.00 1.02 C ATOM 749 CG PRO A 49 -1.334 8.644 -10.414 1.00 1.23 C ATOM 750 CD PRO A 49 -0.352 8.911 -9.270 1.00 1.08 C ATOM 0 HA PRO A 49 1.339 6.764 -10.972 1.00 0.87 H new ATOM 0 HB2 PRO A 49 -1.027 7.357 -12.140 1.00 1.02 H new ATOM 0 HB3 PRO A 49 -0.990 6.505 -10.608 1.00 1.02 H new ATOM 0 HG2 PRO A 49 -1.416 9.497 -11.087 1.00 1.23 H new ATOM 0 HG3 PRO A 49 -2.338 8.430 -10.047 1.00 1.23 H new ATOM 0 HD2 PRO A 49 -0.340 9.968 -9.004 1.00 1.08 H new ATOM 0 HD3 PRO A 49 -0.636 8.360 -8.374 1.00 1.08 H new ATOM 758 N ALA A 50 2.669 8.435 -12.309 1.00 0.94 N ATOM 759 CA ALA A 50 3.478 8.946 -13.403 1.00 1.16 C ATOM 760 C ALA A 50 4.895 8.409 -13.191 1.00 1.15 C ATOM 761 O ALA A 50 5.504 7.855 -14.101 1.00 1.34 O ATOM 762 CB ALA A 50 3.479 10.480 -13.411 1.00 1.34 C ATOM 0 H ALA A 50 3.246 7.999 -11.590 1.00 0.94 H new ATOM 0 HA ALA A 50 3.077 8.623 -14.364 1.00 1.16 H new ATOM 0 HB1 ALA A 50 4.091 10.839 -14.238 1.00 1.34 H new ATOM 0 HB2 ALA A 50 2.458 10.844 -13.530 1.00 1.34 H new ATOM 0 HB3 ALA A 50 3.888 10.848 -12.470 1.00 1.34 H new ATOM 768 N VAL A 51 5.396 8.543 -11.958 1.00 1.01 N ATOM 769 CA VAL A 51 6.661 7.983 -11.526 1.00 1.01 C ATOM 770 C VAL A 51 6.542 6.459 -11.447 1.00 0.97 C ATOM 771 O VAL A 51 7.410 5.739 -11.932 1.00 1.10 O ATOM 772 CB VAL A 51 6.987 8.594 -10.152 1.00 0.94 C ATOM 773 CG1 VAL A 51 8.185 7.903 -9.507 1.00 1.00 C ATOM 774 CG2 VAL A 51 7.287 10.092 -10.272 1.00 1.06 C ATOM 0 H VAL A 51 4.913 9.058 -11.222 1.00 1.01 H new ATOM 0 HA VAL A 51 7.463 8.213 -12.228 1.00 1.01 H new ATOM 0 HB VAL A 51 6.108 8.448 -9.525 1.00 0.94 H new ATOM 0 HG11 VAL A 51 8.389 8.358 -8.538 1.00 1.00 H new ATOM 0 HG12 VAL A 51 7.965 6.844 -9.371 1.00 1.00 H new ATOM 0 HG13 VAL A 51 9.058 8.013 -10.150 1.00 1.00 H new ATOM 0 HG21 VAL A 51 7.514 10.498 -9.286 1.00 1.06 H new ATOM 0 HG22 VAL A 51 8.142 10.240 -10.931 1.00 1.06 H new ATOM 0 HG23 VAL A 51 6.418 10.605 -10.684 1.00 1.06 H new ATOM 784 N ILE A 52 5.487 5.984 -10.775 1.00 0.91 N ATOM 785 CA ILE A 52 5.371 4.591 -10.362 1.00 0.97 C ATOM 786 C ILE A 52 4.513 3.779 -11.334 1.00 1.07 C ATOM 787 O ILE A 52 5.058 2.931 -12.032 1.00 1.47 O ATOM 788 CB ILE A 52 4.999 4.509 -8.883 1.00 1.02 C ATOM 789 CG1 ILE A 52 4.558 3.100 -8.501 1.00 1.46 C ATOM 790 CG2 ILE A 52 3.999 5.563 -8.397 1.00 1.07 C ATOM 791 CD1 ILE A 52 5.600 2.015 -8.769 1.00 2.56 C ATOM 0 H ILE A 52 4.690 6.561 -10.504 1.00 0.91 H new ATOM 0 HA ILE A 52 6.339 4.095 -10.428 1.00 0.97 H new ATOM 0 HB ILE A 52 5.921 4.750 -8.354 1.00 1.02 H new ATOM 0 HG12 ILE A 52 4.303 3.087 -7.441 1.00 1.46 H new ATOM 0 HG13 ILE A 52 3.649 2.856 -9.050 1.00 1.46 H new ATOM 0 HG21 ILE A 52 3.803 5.416 -7.335 1.00 1.07 H new ATOM 0 HG22 ILE A 52 4.414 6.558 -8.555 1.00 1.07 H new ATOM 0 HG23 ILE A 52 3.068 5.465 -8.955 1.00 1.07 H new ATOM 0 HD11 ILE A 52 5.202 1.046 -8.468 1.00 2.56 H new ATOM 0 HD12 ILE A 52 5.839 1.995 -9.832 1.00 2.56 H new ATOM 0 HD13 ILE A 52 6.504 2.229 -8.198 1.00 2.56 H new ATOM 803 N GLN A 53 3.201 4.057 -11.371 1.00 1.00 N ATOM 804 CA GLN A 53 2.164 3.495 -12.242 1.00 1.18 C ATOM 805 C GLN A 53 1.226 2.577 -11.420 1.00 1.17 C ATOM 806 O GLN A 53 1.720 1.668 -10.760 1.00 1.20 O ATOM 807 CB GLN A 53 2.773 2.804 -13.479 1.00 1.42 C ATOM 808 CG GLN A 53 1.770 2.486 -14.579 1.00 1.88 C ATOM 809 CD GLN A 53 1.113 3.731 -15.161 1.00 2.86 C ATOM 810 OE1 GLN A 53 1.737 4.776 -15.307 1.00 3.49 O ATOM 811 NE2 GLN A 53 -0.175 3.638 -15.463 1.00 3.93 N ATOM 0 H GLN A 53 2.805 4.746 -10.731 1.00 1.00 H new ATOM 0 HA GLN A 53 1.552 4.305 -12.640 1.00 1.18 H new ATOM 0 HB2 GLN A 53 3.554 3.444 -13.890 1.00 1.42 H new ATOM 0 HB3 GLN A 53 3.253 1.878 -13.163 1.00 1.42 H new ATOM 0 HG2 GLN A 53 2.274 1.941 -15.377 1.00 1.88 H new ATOM 0 HG3 GLN A 53 0.999 1.827 -14.181 1.00 1.88 H new ATOM 0 HE21 GLN A 53 -0.667 2.755 -15.331 1.00 3.93 H new ATOM 0 HE22 GLN A 53 -0.673 4.450 -15.828 1.00 3.93 H new ATOM 820 N PRO A 54 -0.109 2.782 -11.404 1.00 1.18 N ATOM 821 CA PRO A 54 -1.044 2.053 -10.537 1.00 1.16 C ATOM 822 C PRO A 54 -0.903 0.525 -10.479 1.00 1.14 C ATOM 823 O PRO A 54 -0.658 0.003 -9.393 1.00 1.06 O ATOM 824 CB PRO A 54 -2.452 2.521 -10.912 1.00 1.25 C ATOM 825 CG PRO A 54 -2.167 3.950 -11.345 1.00 1.30 C ATOM 826 CD PRO A 54 -0.839 3.840 -12.084 1.00 1.26 C ATOM 0 HA PRO A 54 -0.796 2.303 -9.505 1.00 1.16 H new ATOM 0 HB2 PRO A 54 -2.887 1.924 -11.714 1.00 1.25 H new ATOM 0 HB3 PRO A 54 -3.142 2.474 -10.070 1.00 1.25 H new ATOM 0 HG2 PRO A 54 -2.955 4.338 -11.991 1.00 1.30 H new ATOM 0 HG3 PRO A 54 -2.096 4.622 -10.490 1.00 1.30 H new ATOM 0 HD2 PRO A 54 -0.993 3.599 -13.136 1.00 1.26 H new ATOM 0 HD3 PRO A 54 -0.290 4.781 -12.050 1.00 1.26 H new ATOM 834 N PRO A 55 -1.028 -0.228 -11.589 1.00 1.33 N ATOM 835 CA PRO A 55 -0.744 -1.650 -11.579 1.00 1.43 C ATOM 836 C PRO A 55 0.606 -1.925 -10.919 1.00 1.38 C ATOM 837 O PRO A 55 0.738 -2.841 -10.107 1.00 1.37 O ATOM 838 CB PRO A 55 -0.726 -2.087 -13.045 1.00 1.69 C ATOM 839 CG PRO A 55 -0.764 -0.827 -13.885 1.00 1.68 C ATOM 840 CD PRO A 55 -1.314 0.215 -12.939 1.00 1.53 C ATOM 0 HA PRO A 55 -1.492 -2.201 -11.009 1.00 1.43 H new ATOM 0 HB2 PRO A 55 0.170 -2.668 -13.263 1.00 1.69 H new ATOM 0 HB3 PRO A 55 -1.582 -2.724 -13.268 1.00 1.69 H new ATOM 0 HG2 PRO A 55 0.228 -0.556 -14.247 1.00 1.68 H new ATOM 0 HG3 PRO A 55 -1.401 -0.949 -14.761 1.00 1.68 H new ATOM 0 HD2 PRO A 55 -0.856 1.186 -13.129 1.00 1.53 H new ATOM 0 HD3 PRO A 55 -2.388 0.336 -13.084 1.00 1.53 H new ATOM 848 N MET A 56 1.609 -1.114 -11.260 1.00 1.46 N ATOM 849 CA MET A 56 2.939 -1.338 -10.733 1.00 1.54 C ATOM 850 C MET A 56 2.994 -1.065 -9.228 1.00 1.40 C ATOM 851 O MET A 56 3.708 -1.774 -8.529 1.00 1.46 O ATOM 852 CB MET A 56 4.008 -0.591 -11.534 1.00 1.75 C ATOM 853 CG MET A 56 3.930 -0.981 -13.018 1.00 2.27 C ATOM 854 SD MET A 56 5.345 -0.513 -14.048 1.00 2.45 S ATOM 855 CE MET A 56 6.590 -1.682 -13.456 1.00 1.95 C ATOM 0 H MET A 56 1.521 -0.314 -11.887 1.00 1.46 H new ATOM 0 HA MET A 56 3.176 -2.395 -10.857 1.00 1.54 H new ATOM 0 HB2 MET A 56 3.868 0.485 -11.426 1.00 1.75 H new ATOM 0 HB3 MET A 56 4.997 -0.825 -11.141 1.00 1.75 H new ATOM 0 HG2 MET A 56 3.804 -2.062 -13.081 1.00 2.27 H new ATOM 0 HG3 MET A 56 3.033 -0.530 -13.443 1.00 2.27 H new ATOM 0 HE1 MET A 56 7.489 -1.595 -14.066 1.00 1.95 H new ATOM 0 HE2 MET A 56 6.833 -1.460 -12.417 1.00 1.95 H new ATOM 0 HE3 MET A 56 6.199 -2.697 -13.528 1.00 1.95 H new ATOM 865 N ILE A 57 2.245 -0.098 -8.680 1.00 1.26 N ATOM 866 CA ILE A 57 2.302 0.087 -7.230 1.00 1.17 C ATOM 867 C ILE A 57 1.806 -1.167 -6.496 1.00 1.04 C ATOM 868 O ILE A 57 2.401 -1.586 -5.502 1.00 1.20 O ATOM 869 CB ILE A 57 1.660 1.414 -6.781 1.00 1.11 C ATOM 870 CG1 ILE A 57 2.428 1.977 -5.572 1.00 1.96 C ATOM 871 CG2 ILE A 57 0.168 1.325 -6.426 1.00 1.83 C ATOM 872 CD1 ILE A 57 2.151 3.468 -5.417 1.00 2.18 C ATOM 0 H ILE A 57 1.626 0.534 -9.187 1.00 1.26 H new ATOM 0 HA ILE A 57 3.345 0.197 -6.933 1.00 1.17 H new ATOM 0 HB ILE A 57 1.726 2.074 -7.646 1.00 1.11 H new ATOM 0 HG12 ILE A 57 2.131 1.449 -4.666 1.00 1.96 H new ATOM 0 HG13 ILE A 57 3.497 1.810 -5.702 1.00 1.96 H new ATOM 0 HG21 ILE A 57 -0.193 2.308 -6.122 1.00 1.83 H new ATOM 0 HG22 ILE A 57 -0.393 0.985 -7.296 1.00 1.83 H new ATOM 0 HG23 ILE A 57 0.030 0.619 -5.607 1.00 1.83 H new ATOM 0 HD11 ILE A 57 2.701 3.853 -4.558 1.00 2.18 H new ATOM 0 HD12 ILE A 57 2.471 3.993 -6.317 1.00 2.18 H new ATOM 0 HD13 ILE A 57 1.083 3.626 -5.265 1.00 2.18 H new ATOM 884 N ALA A 58 0.754 -1.809 -7.021 1.00 0.88 N ATOM 885 CA ALA A 58 0.292 -3.088 -6.494 1.00 0.88 C ATOM 886 C ALA A 58 1.412 -4.129 -6.507 1.00 1.02 C ATOM 887 O ALA A 58 1.639 -4.822 -5.514 1.00 1.18 O ATOM 888 CB ALA A 58 -0.936 -3.573 -7.265 1.00 0.87 C ATOM 0 H ALA A 58 0.211 -1.459 -7.810 1.00 0.88 H new ATOM 0 HA ALA A 58 -0.001 -2.944 -5.454 1.00 0.88 H new ATOM 0 HB1 ALA A 58 -1.267 -4.529 -6.858 1.00 0.87 H new ATOM 0 HB2 ALA A 58 -1.738 -2.841 -7.170 1.00 0.87 H new ATOM 0 HB3 ALA A 58 -0.680 -3.696 -8.317 1.00 0.87 H new ATOM 894 N GLU A 59 2.126 -4.240 -7.624 1.00 1.08 N ATOM 895 CA GLU A 59 3.253 -5.119 -7.752 1.00 1.27 C ATOM 896 C GLU A 59 4.344 -4.803 -6.730 1.00 1.44 C ATOM 897 O GLU A 59 4.775 -5.693 -6.007 1.00 1.61 O ATOM 898 CB GLU A 59 3.765 -4.992 -9.173 1.00 1.34 C ATOM 899 CG GLU A 59 2.842 -5.631 -10.225 1.00 1.42 C ATOM 900 CD GLU A 59 2.668 -7.132 -10.035 1.00 1.54 C ATOM 901 OE1 GLU A 59 3.538 -7.879 -10.524 1.00 2.74 O ATOM 902 OE2 GLU A 59 1.653 -7.513 -9.409 1.00 2.48 O ATOM 0 H GLU A 59 1.924 -3.708 -8.470 1.00 1.08 H new ATOM 0 HA GLU A 59 2.950 -6.146 -7.548 1.00 1.27 H new ATOM 0 HB2 GLU A 59 3.894 -3.936 -9.410 1.00 1.34 H new ATOM 0 HB3 GLU A 59 4.749 -5.456 -9.237 1.00 1.34 H new ATOM 0 HG2 GLU A 59 1.865 -5.150 -10.182 1.00 1.42 H new ATOM 0 HG3 GLU A 59 3.248 -5.441 -11.219 1.00 1.42 H new ATOM 909 N PHE A 60 4.788 -3.550 -6.646 1.00 1.50 N ATOM 910 CA PHE A 60 5.823 -3.171 -5.700 1.00 1.71 C ATOM 911 C PHE A 60 5.406 -3.488 -4.261 1.00 1.79 C ATOM 912 O PHE A 60 6.258 -3.844 -3.452 1.00 2.04 O ATOM 913 CB PHE A 60 6.230 -1.709 -5.906 1.00 1.92 C ATOM 914 CG PHE A 60 7.297 -1.525 -6.972 1.00 2.47 C ATOM 915 CD1 PHE A 60 8.634 -1.843 -6.673 1.00 2.47 C ATOM 916 CD2 PHE A 60 6.960 -1.120 -8.277 1.00 4.04 C ATOM 917 CE1 PHE A 60 9.626 -1.734 -7.662 1.00 3.10 C ATOM 918 CE2 PHE A 60 7.958 -0.966 -9.255 1.00 4.69 C ATOM 919 CZ PHE A 60 9.293 -1.278 -8.949 1.00 3.90 C ATOM 0 H PHE A 60 4.444 -2.783 -7.224 1.00 1.50 H new ATOM 0 HA PHE A 60 6.712 -3.773 -5.890 1.00 1.71 H new ATOM 0 HB2 PHE A 60 5.349 -1.129 -6.181 1.00 1.92 H new ATOM 0 HB3 PHE A 60 6.596 -1.305 -4.962 1.00 1.92 H new ATOM 0 HD1 PHE A 60 8.899 -2.172 -5.679 1.00 2.47 H new ATOM 0 HD2 PHE A 60 5.928 -0.926 -8.529 1.00 4.04 H new ATOM 0 HE1 PHE A 60 10.647 -2.001 -7.433 1.00 3.10 H new ATOM 0 HE2 PHE A 60 7.699 -0.608 -10.240 1.00 4.69 H new ATOM 0 HZ PHE A 60 10.061 -1.168 -9.700 1.00 3.90 H new ATOM 929 N ILE A 61 4.110 -3.430 -3.928 1.00 1.59 N ATOM 930 CA ILE A 61 3.649 -4.010 -2.669 1.00 1.53 C ATOM 931 C ILE A 61 3.896 -5.528 -2.669 1.00 1.68 C ATOM 932 O ILE A 61 4.568 -6.046 -1.776 1.00 2.02 O ATOM 933 CB ILE A 61 2.176 -3.643 -2.403 1.00 1.29 C ATOM 934 CG1 ILE A 61 2.063 -2.142 -2.111 1.00 1.08 C ATOM 935 CG2 ILE A 61 1.646 -4.427 -1.194 1.00 1.30 C ATOM 936 CD1 ILE A 61 0.641 -1.598 -2.265 1.00 1.17 C ATOM 0 H ILE A 61 3.382 -2.999 -4.498 1.00 1.59 H new ATOM 0 HA ILE A 61 4.223 -3.589 -1.844 1.00 1.53 H new ATOM 0 HB ILE A 61 1.588 -3.895 -3.285 1.00 1.29 H new ATOM 0 HG12 ILE A 61 2.409 -1.950 -1.096 1.00 1.08 H new ATOM 0 HG13 ILE A 61 2.727 -1.598 -2.783 1.00 1.08 H new ATOM 0 HG21 ILE A 61 0.604 -4.160 -1.015 1.00 1.30 H new ATOM 0 HG22 ILE A 61 1.717 -5.496 -1.394 1.00 1.30 H new ATOM 0 HG23 ILE A 61 2.240 -4.182 -0.313 1.00 1.30 H new ATOM 0 HD11 ILE A 61 0.634 -0.531 -2.044 1.00 1.17 H new ATOM 0 HD12 ILE A 61 0.299 -1.759 -3.287 1.00 1.17 H new ATOM 0 HD13 ILE A 61 -0.024 -2.116 -1.574 1.00 1.17 H new ATOM 948 N ARG A 62 3.345 -6.245 -3.655 1.00 1.48 N ATOM 949 CA ARG A 62 3.460 -7.701 -3.761 1.00 1.56 C ATOM 950 C ARG A 62 4.903 -8.192 -3.597 1.00 1.65 C ATOM 951 O ARG A 62 5.125 -9.175 -2.892 1.00 1.68 O ATOM 952 CB ARG A 62 2.841 -8.211 -5.070 1.00 1.60 C ATOM 953 CG ARG A 62 1.313 -8.069 -5.063 1.00 1.22 C ATOM 954 CD ARG A 62 0.757 -8.058 -6.492 1.00 1.71 C ATOM 955 NE ARG A 62 -0.710 -7.953 -6.533 1.00 1.98 N ATOM 956 CZ ARG A 62 -1.437 -7.967 -7.662 1.00 2.76 C ATOM 957 NH1 ARG A 62 -0.853 -8.049 -8.859 1.00 2.72 N ATOM 958 NH2 ARG A 62 -2.766 -7.891 -7.572 1.00 4.13 N ATOM 0 H ARG A 62 2.801 -5.825 -4.409 1.00 1.48 H new ATOM 0 HA ARG A 62 2.893 -8.122 -2.931 1.00 1.56 H new ATOM 0 HB2 ARG A 62 3.255 -7.654 -5.911 1.00 1.60 H new ATOM 0 HB3 ARG A 62 3.109 -9.257 -5.217 1.00 1.60 H new ATOM 0 HG2 ARG A 62 0.870 -8.892 -4.503 1.00 1.22 H new ATOM 0 HG3 ARG A 62 1.032 -7.148 -4.552 1.00 1.22 H new ATOM 0 HD2 ARG A 62 1.192 -7.222 -7.040 1.00 1.71 H new ATOM 0 HD3 ARG A 62 1.066 -8.969 -7.004 1.00 1.71 H new ATOM 0 HE ARG A 62 -1.207 -7.864 -5.647 1.00 1.98 H new ATOM 0 HH11 ARG A 62 0.163 -8.102 -8.928 1.00 2.72 H new ATOM 0 HH12 ARG A 62 -1.423 -8.058 -9.705 1.00 2.72 H new ATOM 0 HH21 ARG A 62 -3.212 -7.824 -6.657 1.00 4.13 H new ATOM 0 HH22 ARG A 62 -3.336 -7.900 -8.418 1.00 4.13 H new ATOM 972 N GLU A 63 5.886 -7.511 -4.197 1.00 1.72 N ATOM 973 CA GLU A 63 7.298 -7.826 -4.080 1.00 1.84 C ATOM 974 C GLU A 63 7.766 -7.982 -2.627 1.00 1.70 C ATOM 975 O GLU A 63 8.690 -8.747 -2.360 1.00 2.04 O ATOM 976 CB GLU A 63 8.096 -6.722 -4.774 1.00 1.99 C ATOM 977 CG GLU A 63 8.040 -6.797 -6.299 1.00 2.25 C ATOM 978 CD GLU A 63 8.973 -5.794 -6.968 1.00 2.84 C ATOM 979 OE1 GLU A 63 9.521 -4.939 -6.239 1.00 3.80 O ATOM 980 OE2 GLU A 63 9.139 -5.919 -8.201 1.00 3.12 O ATOM 0 H GLU A 63 5.706 -6.703 -4.793 1.00 1.72 H new ATOM 0 HA GLU A 63 7.466 -8.792 -4.556 1.00 1.84 H new ATOM 0 HB2 GLU A 63 7.716 -5.752 -4.452 1.00 1.99 H new ATOM 0 HB3 GLU A 63 9.136 -6.780 -4.453 1.00 1.99 H new ATOM 0 HG2 GLU A 63 8.305 -7.804 -6.620 1.00 2.25 H new ATOM 0 HG3 GLU A 63 7.018 -6.615 -6.631 1.00 2.25 H new ATOM 987 N LEU A 64 7.139 -7.279 -1.678 1.00 1.30 N ATOM 988 CA LEU A 64 7.525 -7.321 -0.277 1.00 1.26 C ATOM 989 C LEU A 64 6.918 -8.550 0.405 1.00 1.25 C ATOM 990 O LEU A 64 7.358 -8.930 1.488 1.00 1.31 O ATOM 991 CB LEU A 64 7.129 -6.004 0.406 1.00 1.41 C ATOM 992 CG LEU A 64 7.651 -4.770 -0.358 1.00 1.48 C ATOM 993 CD1 LEU A 64 7.245 -3.489 0.368 1.00 1.94 C ATOM 994 CD2 LEU A 64 9.173 -4.790 -0.533 1.00 1.85 C ATOM 0 H LEU A 64 6.347 -6.665 -1.868 1.00 1.30 H new ATOM 0 HA LEU A 64 8.607 -7.420 -0.191 1.00 1.26 H new ATOM 0 HB2 LEU A 64 6.043 -5.949 0.483 1.00 1.41 H new ATOM 0 HB3 LEU A 64 7.521 -5.992 1.423 1.00 1.41 H new ATOM 0 HG LEU A 64 7.200 -4.800 -1.350 1.00 1.48 H new ATOM 0 HD11 LEU A 64 7.619 -2.625 -0.181 1.00 1.94 H new ATOM 0 HD12 LEU A 64 6.158 -3.436 0.431 1.00 1.94 H new ATOM 0 HD13 LEU A 64 7.667 -3.491 1.373 1.00 1.94 H new ATOM 0 HD21 LEU A 64 9.488 -3.900 -1.077 1.00 1.85 H new ATOM 0 HD22 LEU A 64 9.652 -4.806 0.446 1.00 1.85 H new ATOM 0 HD23 LEU A 64 9.463 -5.679 -1.093 1.00 1.85 H new ATOM 1006 N GLY A 65 5.912 -9.175 -0.221 1.00 1.60 N ATOM 1007 CA GLY A 65 5.365 -10.462 0.172 1.00 2.43 C ATOM 1008 C GLY A 65 3.843 -10.421 0.163 1.00 1.76 C ATOM 1009 O GLY A 65 3.189 -11.360 -0.282 1.00 2.38 O ATOM 0 H GLY A 65 5.448 -8.779 -1.039 1.00 1.60 H new ATOM 0 HA2 GLY A 65 5.718 -11.237 -0.509 1.00 2.43 H new ATOM 0 HA3 GLY A 65 5.721 -10.726 1.168 1.00 2.43 H new ATOM 1013 N PHE A 66 3.273 -9.352 0.719 1.00 1.30 N ATOM 1014 CA PHE A 66 1.856 -9.309 1.041 1.00 1.39 C ATOM 1015 C PHE A 66 1.050 -9.044 -0.228 1.00 1.50 C ATOM 1016 O PHE A 66 1.339 -8.122 -0.986 1.00 2.37 O ATOM 1017 CB PHE A 66 1.586 -8.275 2.142 1.00 1.92 C ATOM 1018 CG PHE A 66 2.257 -8.500 3.496 1.00 1.80 C ATOM 1019 CD1 PHE A 66 3.173 -9.549 3.720 1.00 2.66 C ATOM 1020 CD2 PHE A 66 1.962 -7.620 4.555 1.00 2.23 C ATOM 1021 CE1 PHE A 66 3.885 -9.624 4.927 1.00 2.89 C ATOM 1022 CE2 PHE A 66 2.556 -7.799 5.816 1.00 2.51 C ATOM 1023 CZ PHE A 66 3.553 -8.770 5.992 1.00 2.44 C ATOM 0 H PHE A 66 3.781 -8.500 0.956 1.00 1.30 H new ATOM 0 HA PHE A 66 1.537 -10.273 1.436 1.00 1.39 H new ATOM 0 HB2 PHE A 66 1.896 -7.298 1.770 1.00 1.92 H new ATOM 0 HB3 PHE A 66 0.509 -8.228 2.303 1.00 1.92 H new ATOM 0 HD1 PHE A 66 3.327 -10.299 2.958 1.00 2.66 H new ATOM 0 HD2 PHE A 66 1.275 -6.802 4.397 1.00 2.23 H new ATOM 0 HE1 PHE A 66 4.688 -10.338 5.037 1.00 2.89 H new ATOM 0 HE2 PHE A 66 2.245 -7.188 6.651 1.00 2.51 H new ATOM 0 HZ PHE A 66 4.062 -8.860 6.940 1.00 2.44 H new ATOM 1033 N GLY A 67 0.043 -9.880 -0.463 1.00 1.15 N ATOM 1034 CA GLY A 67 -0.719 -9.903 -1.687 1.00 1.32 C ATOM 1035 C GLY A 67 -1.648 -8.701 -1.770 1.00 1.22 C ATOM 1036 O GLY A 67 -2.663 -8.636 -1.080 1.00 1.38 O ATOM 0 H GLY A 67 -0.266 -10.575 0.217 1.00 1.15 H new ATOM 0 HA2 GLY A 67 -0.042 -9.905 -2.542 1.00 1.32 H new ATOM 0 HA3 GLY A 67 -1.302 -10.823 -1.740 1.00 1.32 H new ATOM 1040 N ALA A 68 -1.297 -7.774 -2.657 1.00 1.31 N ATOM 1041 CA ALA A 68 -2.054 -6.562 -2.909 1.00 1.19 C ATOM 1042 C ALA A 68 -3.190 -6.858 -3.880 1.00 0.81 C ATOM 1043 O ALA A 68 -2.925 -7.320 -4.993 1.00 0.97 O ATOM 1044 CB ALA A 68 -1.133 -5.508 -3.525 1.00 1.58 C ATOM 0 H ALA A 68 -0.458 -7.851 -3.232 1.00 1.31 H new ATOM 0 HA ALA A 68 -2.464 -6.193 -1.969 1.00 1.19 H new ATOM 0 HB1 ALA A 68 -1.699 -4.596 -3.715 1.00 1.58 H new ATOM 0 HB2 ALA A 68 -0.317 -5.291 -2.836 1.00 1.58 H new ATOM 0 HB3 ALA A 68 -0.726 -5.884 -4.463 1.00 1.58 H new ATOM 1050 N THR A 69 -4.434 -6.555 -3.505 1.00 0.73 N ATOM 1051 CA THR A 69 -5.555 -6.469 -4.434 1.00 0.77 C ATOM 1052 C THR A 69 -6.100 -5.036 -4.402 1.00 0.75 C ATOM 1053 O THR A 69 -6.359 -4.493 -3.330 1.00 0.80 O ATOM 1054 CB THR A 69 -6.607 -7.532 -4.086 1.00 1.08 C ATOM 1055 OG1 THR A 69 -6.663 -7.747 -2.691 1.00 2.75 O ATOM 1056 CG2 THR A 69 -6.249 -8.864 -4.751 1.00 2.22 C ATOM 0 H THR A 69 -4.691 -6.361 -2.537 1.00 0.73 H new ATOM 0 HA THR A 69 -5.241 -6.681 -5.456 1.00 0.77 H new ATOM 0 HB THR A 69 -7.571 -7.170 -4.444 1.00 1.08 H new ATOM 0 HG1 THR A 69 -7.341 -8.426 -2.492 1.00 2.75 H new ATOM 0 HG21 THR A 69 -7.001 -9.611 -4.498 1.00 2.22 H new ATOM 0 HG22 THR A 69 -6.217 -8.734 -5.833 1.00 2.22 H new ATOM 0 HG23 THR A 69 -5.274 -9.197 -4.397 1.00 2.22 H new ATOM 1064 N VAL A 70 -6.201 -4.400 -5.572 1.00 0.75 N ATOM 1065 CA VAL A 70 -6.491 -2.992 -5.739 1.00 0.74 C ATOM 1066 C VAL A 70 -8.002 -2.776 -5.670 1.00 0.89 C ATOM 1067 O VAL A 70 -8.757 -3.572 -6.224 1.00 1.10 O ATOM 1068 CB VAL A 70 -5.914 -2.601 -7.109 1.00 0.86 C ATOM 1069 CG1 VAL A 70 -6.326 -1.196 -7.516 1.00 1.40 C ATOM 1070 CG2 VAL A 70 -4.384 -2.664 -7.084 1.00 1.85 C ATOM 0 H VAL A 70 -6.076 -4.883 -6.462 1.00 0.75 H new ATOM 0 HA VAL A 70 -6.049 -2.374 -4.957 1.00 0.74 H new ATOM 0 HB VAL A 70 -6.313 -3.312 -7.832 1.00 0.86 H new ATOM 0 HG11 VAL A 70 -5.897 -0.959 -8.490 1.00 1.40 H new ATOM 0 HG12 VAL A 70 -7.413 -1.138 -7.574 1.00 1.40 H new ATOM 0 HG13 VAL A 70 -5.964 -0.482 -6.776 1.00 1.40 H new ATOM 0 HG21 VAL A 70 -3.992 -2.384 -8.062 1.00 1.85 H new ATOM 0 HG22 VAL A 70 -4.004 -1.975 -6.330 1.00 1.85 H new ATOM 0 HG23 VAL A 70 -4.066 -3.678 -6.842 1.00 1.85 H new ATOM 1080 N ILE A 71 -8.438 -1.705 -4.996 1.00 0.86 N ATOM 1081 CA ILE A 71 -9.850 -1.376 -4.823 1.00 1.05 C ATOM 1082 C ILE A 71 -10.052 0.117 -5.101 1.00 1.00 C ATOM 1083 O ILE A 71 -10.543 0.883 -4.271 1.00 1.47 O ATOM 1084 CB ILE A 71 -10.325 -1.805 -3.422 1.00 1.28 C ATOM 1085 CG1 ILE A 71 -9.902 -3.256 -3.119 1.00 1.49 C ATOM 1086 CG2 ILE A 71 -11.851 -1.677 -3.278 1.00 1.82 C ATOM 1087 CD1 ILE A 71 -10.487 -3.815 -1.820 1.00 2.31 C ATOM 0 H ILE A 71 -7.809 -1.037 -4.551 1.00 0.86 H new ATOM 0 HA ILE A 71 -10.465 -1.926 -5.535 1.00 1.05 H new ATOM 0 HB ILE A 71 -9.851 -1.134 -2.705 1.00 1.28 H new ATOM 0 HG12 ILE A 71 -10.209 -3.894 -3.948 1.00 1.49 H new ATOM 0 HG13 ILE A 71 -8.814 -3.303 -3.066 1.00 1.49 H new ATOM 0 HG21 ILE A 71 -12.149 -1.988 -2.277 1.00 1.82 H new ATOM 0 HG22 ILE A 71 -12.146 -0.640 -3.438 1.00 1.82 H new ATOM 0 HG23 ILE A 71 -12.341 -2.312 -4.016 1.00 1.82 H new ATOM 0 HD11 ILE A 71 -10.143 -4.839 -1.677 1.00 2.31 H new ATOM 0 HD12 ILE A 71 -10.160 -3.202 -0.980 1.00 2.31 H new ATOM 0 HD13 ILE A 71 -11.575 -3.802 -1.876 1.00 2.31 H new ATOM 1099 N GLU A 72 -9.708 0.524 -6.320 1.00 1.19 N ATOM 1100 CA GLU A 72 -10.214 1.760 -6.900 1.00 1.31 C ATOM 1101 C GLU A 72 -11.743 1.660 -6.967 1.00 1.49 C ATOM 1102 O GLU A 72 -12.281 0.557 -7.068 1.00 2.56 O ATOM 1103 CB GLU A 72 -9.578 1.990 -8.278 1.00 1.94 C ATOM 1104 CG GLU A 72 -8.061 2.179 -8.124 1.00 2.80 C ATOM 1105 CD GLU A 72 -7.335 2.397 -9.444 1.00 3.75 C ATOM 1106 OE1 GLU A 72 -7.751 1.761 -10.435 1.00 4.67 O ATOM 1107 OE2 GLU A 72 -6.356 3.177 -9.423 1.00 4.26 O ATOM 0 H GLU A 72 -9.074 0.008 -6.929 1.00 1.19 H new ATOM 0 HA GLU A 72 -9.949 2.622 -6.288 1.00 1.31 H new ATOM 0 HB2 GLU A 72 -9.784 1.141 -8.930 1.00 1.94 H new ATOM 0 HB3 GLU A 72 -10.018 2.869 -8.750 1.00 1.94 H new ATOM 0 HG2 GLU A 72 -7.874 3.032 -7.472 1.00 2.80 H new ATOM 0 HG3 GLU A 72 -7.643 1.302 -7.630 1.00 2.80 H new