USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 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 -155:sc= -0.572 USER MOD Set 1.2: A 17 CYS SG : rot 38:sc= 0.414 USER MOD Set 2.1: A 8 GLN : amide:sc= 2.78 K(o=4.2,f=-9.8!) USER MOD Set 2.2: A 42 LYS NZ :NH3+ -134:sc= 1.41 (180deg=-2.59!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -170:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 140:sc= -0.178 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -42:sc= 0.73 USER MOD Single : A 12 MET CE :methyl 169:sc= 0 (180deg=-0.0597) USER MOD Single : A 13 THR OG1 : rot -51:sc= 0.0446 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.94! K(o=-2.9!,f=-0.89) USER MOD Single : A 24 ASN : amide:sc= -6.65! K(o=-6.7!,f=-3.5) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 28:sc= 1.64 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -75:sc= 1.2 USER MOD Single : A 48 ASN : amide:sc= -0.0819 K(o=-0.082,f=-1.2) USER MOD Single : A 53 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.39) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -0.765 13.316 -8.837 1.00 1.94 N ATOM 18 CA SER A 2 -1.166 12.779 -7.538 1.00 1.31 C ATOM 19 C SER A 2 -2.586 12.197 -7.568 1.00 1.42 C ATOM 20 O SER A 2 -3.473 12.735 -8.229 1.00 2.40 O ATOM 21 CB SER A 2 -0.924 13.755 -6.374 1.00 1.59 C ATOM 22 OG SER A 2 -1.943 14.724 -6.242 1.00 2.86 O ATOM 0 HA SER A 2 -0.501 11.940 -7.334 1.00 1.31 H new ATOM 0 HB2 SER A 2 -0.845 13.190 -5.445 1.00 1.59 H new ATOM 0 HB3 SER A 2 0.031 14.259 -6.523 1.00 1.59 H new ATOM 0 HG SER A 2 -1.737 15.314 -5.487 1.00 2.86 H new ATOM 28 N SER A 3 -2.776 11.087 -6.852 1.00 0.73 N ATOM 29 CA SER A 3 -4.005 10.321 -6.754 1.00 0.79 C ATOM 30 C SER A 3 -4.046 9.672 -5.371 1.00 0.61 C ATOM 31 O SER A 3 -3.001 9.485 -4.747 1.00 0.70 O ATOM 32 CB SER A 3 -4.028 9.231 -7.834 1.00 1.16 C ATOM 33 OG SER A 3 -3.900 9.800 -9.123 1.00 1.73 O ATOM 0 H SER A 3 -2.026 10.680 -6.294 1.00 0.73 H new ATOM 0 HA SER A 3 -4.868 10.972 -6.897 1.00 0.79 H new ATOM 0 HB2 SER A 3 -3.217 8.524 -7.661 1.00 1.16 H new ATOM 0 HB3 SER A 3 -4.960 8.669 -7.770 1.00 1.16 H new ATOM 0 HG SER A 3 -4.074 9.115 -9.802 1.00 1.73 H new ATOM 39 N LYS A 4 -5.250 9.320 -4.913 1.00 0.72 N ATOM 40 CA LYS A 4 -5.491 8.481 -3.745 1.00 0.83 C ATOM 41 C LYS A 4 -5.886 7.099 -4.256 1.00 0.80 C ATOM 42 O LYS A 4 -6.531 7.008 -5.300 1.00 0.92 O ATOM 43 CB LYS A 4 -6.645 9.071 -2.925 1.00 1.13 C ATOM 44 CG LYS A 4 -6.197 10.300 -2.125 1.00 1.97 C ATOM 45 CD LYS A 4 -7.367 11.221 -1.750 1.00 2.55 C ATOM 46 CE LYS A 4 -7.850 12.055 -2.949 1.00 4.30 C ATOM 47 NZ LYS A 4 -8.952 12.970 -2.581 1.00 5.33 N ATOM 0 H LYS A 4 -6.113 9.624 -5.364 1.00 0.72 H new ATOM 0 HA LYS A 4 -4.604 8.424 -3.114 1.00 0.83 H new ATOM 0 HB2 LYS A 4 -7.462 9.348 -3.592 1.00 1.13 H new ATOM 0 HB3 LYS A 4 -7.032 8.314 -2.243 1.00 1.13 H new ATOM 0 HG2 LYS A 4 -5.692 9.973 -1.216 1.00 1.97 H new ATOM 0 HG3 LYS A 4 -5.469 10.863 -2.709 1.00 1.97 H new ATOM 0 HD2 LYS A 4 -8.193 10.621 -1.369 1.00 2.55 H new ATOM 0 HD3 LYS A 4 -7.060 11.888 -0.944 1.00 2.55 H new ATOM 0 HE2 LYS A 4 -7.016 12.634 -3.347 1.00 4.30 H new ATOM 0 HE3 LYS A 4 -8.183 11.388 -3.744 1.00 4.30 H new ATOM 0 HZ1 LYS A 4 -9.247 13.513 -3.418 1.00 5.33 H new ATOM 0 HZ2 LYS A 4 -9.758 12.417 -2.225 1.00 5.33 H new ATOM 0 HZ3 LYS A 4 -8.627 13.625 -1.841 1.00 5.33 H new ATOM 61 N CYS A 5 -5.530 6.040 -3.529 1.00 0.90 N ATOM 62 CA CYS A 5 -5.980 4.688 -3.826 1.00 1.00 C ATOM 63 C CYS A 5 -5.982 3.875 -2.540 1.00 1.07 C ATOM 64 O CYS A 5 -5.214 4.154 -1.620 1.00 1.08 O ATOM 65 CB CYS A 5 -5.088 4.061 -4.894 1.00 1.07 C ATOM 66 SG CYS A 5 -5.500 2.336 -5.203 1.00 1.70 S ATOM 0 H CYS A 5 -4.919 6.100 -2.715 1.00 0.90 H new ATOM 0 HA CYS A 5 -6.995 4.707 -4.224 1.00 1.00 H new ATOM 0 HB2 CYS A 5 -5.183 4.626 -5.821 1.00 1.07 H new ATOM 0 HB3 CYS A 5 -4.046 4.133 -4.582 1.00 1.07 H new ATOM 0 HG CYS A 5 -5.423 2.093 -6.478 1.00 1.70 H new ATOM 72 N TYR A 6 -6.881 2.899 -2.479 1.00 1.15 N ATOM 73 CA TYR A 6 -7.090 2.005 -1.359 1.00 1.20 C ATOM 74 C TYR A 6 -6.658 0.620 -1.823 1.00 1.13 C ATOM 75 O TYR A 6 -6.799 0.299 -3.003 1.00 1.15 O ATOM 76 CB TYR A 6 -8.565 2.015 -0.947 1.00 1.30 C ATOM 77 CG TYR A 6 -9.169 3.396 -0.773 1.00 0.93 C ATOM 78 CD1 TYR A 6 -9.769 4.045 -1.869 1.00 1.73 C ATOM 79 CD2 TYR A 6 -9.130 4.034 0.480 1.00 2.21 C ATOM 80 CE1 TYR A 6 -10.327 5.324 -1.714 1.00 2.23 C ATOM 81 CE2 TYR A 6 -9.695 5.312 0.635 1.00 2.04 C ATOM 82 CZ TYR A 6 -10.289 5.959 -0.461 1.00 1.47 C ATOM 83 OH TYR A 6 -10.844 7.193 -0.303 1.00 2.11 O ATOM 0 H TYR A 6 -7.515 2.704 -3.254 1.00 1.15 H new ATOM 0 HA TYR A 6 -6.513 2.313 -0.487 1.00 1.20 H new ATOM 0 HB2 TYR A 6 -9.141 1.474 -1.698 1.00 1.30 H new ATOM 0 HB3 TYR A 6 -8.669 1.468 -0.010 1.00 1.30 H new ATOM 0 HD1 TYR A 6 -9.800 3.557 -2.832 1.00 1.73 H new ATOM 0 HD2 TYR A 6 -8.666 3.542 1.322 1.00 2.21 H new ATOM 0 HE1 TYR A 6 -10.785 5.819 -2.557 1.00 2.23 H new ATOM 0 HE2 TYR A 6 -9.672 5.798 1.599 1.00 2.04 H new ATOM 0 HH TYR A 6 -10.731 7.486 0.625 1.00 2.11 H new ATOM 93 N ILE A 7 -6.105 -0.189 -0.923 1.00 1.10 N ATOM 94 CA ILE A 7 -5.439 -1.432 -1.297 1.00 0.99 C ATOM 95 C ILE A 7 -5.827 -2.485 -0.272 1.00 1.04 C ATOM 96 O ILE A 7 -5.412 -2.414 0.881 1.00 1.53 O ATOM 97 CB ILE A 7 -3.906 -1.249 -1.415 1.00 0.96 C ATOM 98 CG1 ILE A 7 -3.441 0.174 -1.046 1.00 1.98 C ATOM 99 CG2 ILE A 7 -3.480 -1.599 -2.846 1.00 1.00 C ATOM 100 CD1 ILE A 7 -1.922 0.327 -0.971 1.00 2.76 C ATOM 0 H ILE A 7 -6.106 -0.003 0.080 1.00 1.10 H new ATOM 0 HA ILE A 7 -5.761 -1.753 -2.287 1.00 0.99 H new ATOM 0 HB ILE A 7 -3.429 -1.918 -0.698 1.00 0.96 H new ATOM 0 HG12 ILE A 7 -3.832 0.876 -1.783 1.00 1.98 H new ATOM 0 HG13 ILE A 7 -3.872 0.449 -0.084 1.00 1.98 H new ATOM 0 HG21 ILE A 7 -2.402 -1.475 -2.945 1.00 1.00 H new ATOM 0 HG22 ILE A 7 -3.748 -2.633 -3.063 1.00 1.00 H new ATOM 0 HG23 ILE A 7 -3.987 -0.938 -3.549 1.00 1.00 H new ATOM 0 HD11 ILE A 7 -1.672 1.355 -0.707 1.00 2.76 H new ATOM 0 HD12 ILE A 7 -1.525 -0.349 -0.214 1.00 2.76 H new ATOM 0 HD13 ILE A 7 -1.484 0.085 -1.939 1.00 2.76 H new ATOM 112 N GLN A 8 -6.669 -3.442 -0.653 1.00 0.73 N ATOM 113 CA GLN A 8 -7.219 -4.386 0.267 1.00 0.71 C ATOM 114 C GLN A 8 -6.164 -5.477 0.433 1.00 0.77 C ATOM 115 O GLN A 8 -5.733 -6.069 -0.552 1.00 0.95 O ATOM 116 CB GLN A 8 -8.547 -4.851 -0.326 1.00 0.90 C ATOM 117 CG GLN A 8 -9.061 -6.042 0.448 1.00 1.37 C ATOM 118 CD GLN A 8 -9.330 -5.645 1.900 1.00 2.04 C ATOM 119 OE1 GLN A 8 -10.200 -4.811 2.153 1.00 2.53 O ATOM 120 NE2 GLN A 8 -8.548 -6.142 2.852 1.00 2.95 N ATOM 0 H GLN A 8 -6.979 -3.570 -1.616 1.00 0.73 H new ATOM 0 HA GLN A 8 -7.441 -4.000 1.262 1.00 0.71 H new ATOM 0 HB2 GLN A 8 -9.275 -4.041 -0.291 1.00 0.90 H new ATOM 0 HB3 GLN A 8 -8.415 -5.116 -1.375 1.00 0.90 H new ATOM 0 HG2 GLN A 8 -9.976 -6.417 -0.011 1.00 1.37 H new ATOM 0 HG3 GLN A 8 -8.332 -6.851 0.413 1.00 1.37 H new ATOM 0 HE21 GLN A 8 -7.834 -6.832 2.617 1.00 2.95 H new ATOM 0 HE22 GLN A 8 -8.661 -5.834 3.818 1.00 2.95 H new ATOM 129 N VAL A 9 -5.741 -5.707 1.673 1.00 0.75 N ATOM 130 CA VAL A 9 -4.703 -6.659 2.046 1.00 0.91 C ATOM 131 C VAL A 9 -5.352 -8.022 2.308 1.00 1.16 C ATOM 132 O VAL A 9 -6.545 -8.075 2.600 1.00 1.77 O ATOM 133 CB VAL A 9 -3.960 -6.083 3.269 1.00 1.46 C ATOM 134 CG1 VAL A 9 -4.796 -6.129 4.556 1.00 3.49 C ATOM 135 CG2 VAL A 9 -2.599 -6.748 3.481 1.00 2.56 C ATOM 0 H VAL A 9 -6.129 -5.214 2.477 1.00 0.75 H new ATOM 0 HA VAL A 9 -3.970 -6.813 1.254 1.00 0.91 H new ATOM 0 HB VAL A 9 -3.789 -5.032 3.038 1.00 1.46 H new ATOM 0 HG11 VAL A 9 -4.219 -5.710 5.380 1.00 3.49 H new ATOM 0 HG12 VAL A 9 -5.707 -5.547 4.419 1.00 3.49 H new ATOM 0 HG13 VAL A 9 -5.056 -7.163 4.784 1.00 3.49 H new ATOM 0 HG21 VAL A 9 -2.112 -6.311 4.353 1.00 2.56 H new ATOM 0 HG22 VAL A 9 -2.737 -7.817 3.641 1.00 2.56 H new ATOM 0 HG23 VAL A 9 -1.976 -6.591 2.601 1.00 2.56 H new ATOM 145 N THR A 10 -4.590 -9.119 2.209 1.00 1.11 N ATOM 146 CA THR A 10 -5.084 -10.466 2.505 1.00 1.46 C ATOM 147 C THR A 10 -4.456 -11.053 3.765 1.00 1.77 C ATOM 148 O THR A 10 -4.506 -12.265 3.969 1.00 2.84 O ATOM 149 CB THR A 10 -4.920 -11.374 1.273 1.00 1.64 C ATOM 150 OG1 THR A 10 -5.576 -12.605 1.487 1.00 2.70 O ATOM 151 CG2 THR A 10 -3.448 -11.655 0.948 1.00 2.31 C ATOM 0 H THR A 10 -3.612 -9.095 1.921 1.00 1.11 H new ATOM 0 HA THR A 10 -6.149 -10.397 2.725 1.00 1.46 H new ATOM 0 HB THR A 10 -5.363 -10.844 0.430 1.00 1.64 H new ATOM 0 HG1 THR A 10 -5.400 -12.915 2.400 1.00 2.70 H new ATOM 0 HG21 THR A 10 -3.386 -12.300 0.071 1.00 2.31 H new ATOM 0 HG22 THR A 10 -2.934 -10.715 0.745 1.00 2.31 H new ATOM 0 HG23 THR A 10 -2.976 -12.150 1.797 1.00 2.31 H new ATOM 159 N GLY A 11 -3.941 -10.194 4.640 1.00 1.41 N ATOM 160 CA GLY A 11 -3.817 -10.499 6.046 1.00 1.67 C ATOM 161 C GLY A 11 -4.098 -9.213 6.785 1.00 1.75 C ATOM 162 O GLY A 11 -3.426 -8.209 6.595 1.00 2.34 O ATOM 0 H GLY A 11 -3.600 -9.267 4.385 1.00 1.41 H new ATOM 0 HA2 GLY A 11 -4.522 -11.277 6.339 1.00 1.67 H new ATOM 0 HA3 GLY A 11 -2.818 -10.870 6.277 1.00 1.67 H new ATOM 166 N MET A 12 -5.161 -9.277 7.565 1.00 2.67 N ATOM 167 CA MET A 12 -5.587 -8.228 8.481 1.00 2.94 C ATOM 168 C MET A 12 -4.923 -8.475 9.837 1.00 3.22 C ATOM 169 O MET A 12 -4.147 -7.664 10.332 1.00 3.35 O ATOM 170 CB MET A 12 -7.122 -8.215 8.610 1.00 3.33 C ATOM 171 CG MET A 12 -7.743 -6.860 8.242 1.00 2.68 C ATOM 172 SD MET A 12 -9.380 -6.581 8.970 1.00 3.40 S ATOM 173 CE MET A 12 -8.935 -6.240 10.690 1.00 4.65 C ATOM 0 H MET A 12 -5.776 -10.090 7.581 1.00 2.67 H new ATOM 0 HA MET A 12 -5.285 -7.252 8.100 1.00 2.94 H new ATOM 0 HB2 MET A 12 -7.542 -8.988 7.966 1.00 3.33 H new ATOM 0 HB3 MET A 12 -7.397 -8.469 9.634 1.00 3.33 H new ATOM 0 HG2 MET A 12 -7.072 -6.064 8.565 1.00 2.68 H new ATOM 0 HG3 MET A 12 -7.822 -6.790 7.157 1.00 2.68 H new ATOM 0 HE1 MET A 12 -9.806 -5.859 11.223 1.00 4.65 H new ATOM 0 HE2 MET A 12 -8.592 -7.159 11.166 1.00 4.65 H new ATOM 0 HE3 MET A 12 -8.138 -5.497 10.719 1.00 4.65 H new ATOM 183 N THR A 13 -5.232 -9.621 10.448 1.00 3.69 N ATOM 184 CA THR A 13 -4.760 -9.976 11.780 1.00 4.10 C ATOM 185 C THR A 13 -3.338 -10.558 11.711 1.00 3.26 C ATOM 186 O THR A 13 -3.043 -11.593 12.304 1.00 3.94 O ATOM 187 CB THR A 13 -5.823 -10.859 12.470 1.00 5.31 C ATOM 188 OG1 THR A 13 -5.543 -11.060 13.840 1.00 6.01 O ATOM 189 CG2 THR A 13 -6.055 -12.219 11.798 1.00 6.33 C ATOM 0 H THR A 13 -5.824 -10.334 10.023 1.00 3.69 H new ATOM 0 HA THR A 13 -4.651 -9.098 12.417 1.00 4.10 H new ATOM 0 HB THR A 13 -6.744 -10.287 12.363 1.00 5.31 H new ATOM 0 HG1 THR A 13 -4.619 -11.370 13.943 1.00 6.01 H new ATOM 0 HG21 THR A 13 -6.816 -12.772 12.348 1.00 6.33 H new ATOM 0 HG22 THR A 13 -6.389 -12.066 10.772 1.00 6.33 H new ATOM 0 HG23 THR A 13 -5.125 -12.787 11.796 1.00 6.33 H new ATOM 197 N CYS A 14 -2.444 -9.878 10.987 1.00 2.08 N ATOM 198 CA CYS A 14 -1.019 -10.190 10.985 1.00 1.51 C ATOM 199 C CYS A 14 -0.373 -9.600 12.243 1.00 1.62 C ATOM 200 O CYS A 14 0.405 -10.278 12.909 1.00 2.82 O ATOM 201 CB CYS A 14 -0.373 -9.710 9.675 1.00 1.45 C ATOM 202 SG CYS A 14 -0.712 -7.957 9.362 1.00 2.54 S ATOM 0 H CYS A 14 -2.693 -9.093 10.385 1.00 2.08 H new ATOM 0 HA CYS A 14 -0.859 -11.268 11.020 1.00 1.51 H new ATOM 0 HB2 CYS A 14 0.704 -9.870 9.721 1.00 1.45 H new ATOM 0 HB3 CYS A 14 -0.749 -10.307 8.844 1.00 1.45 H new ATOM 0 HG CYS A 14 -0.640 -7.722 8.085 1.00 2.54 H new ATOM 207 N ALA A 15 -0.742 -8.351 12.557 1.00 1.48 N ATOM 208 CA ALA A 15 -0.369 -7.505 13.685 1.00 1.70 C ATOM 209 C ALA A 15 -0.265 -6.084 13.137 1.00 2.18 C ATOM 210 O ALA A 15 -1.238 -5.570 12.588 1.00 4.01 O ATOM 211 CB ALA A 15 0.891 -7.974 14.431 1.00 2.11 C ATOM 0 H ALA A 15 -1.390 -7.854 11.946 1.00 1.48 H new ATOM 0 HA ALA A 15 -1.129 -7.560 14.464 1.00 1.70 H new ATOM 0 HB1 ALA A 15 1.101 -7.292 15.255 1.00 2.11 H new ATOM 0 HB2 ALA A 15 0.729 -8.978 14.823 1.00 2.11 H new ATOM 0 HB3 ALA A 15 1.738 -7.985 13.744 1.00 2.11 H new ATOM 217 N SER A 16 0.892 -5.431 13.259 1.00 1.30 N ATOM 218 CA SER A 16 1.075 -4.047 12.863 1.00 1.85 C ATOM 219 C SER A 16 1.266 -3.923 11.345 1.00 1.89 C ATOM 220 O SER A 16 2.281 -3.410 10.874 1.00 1.85 O ATOM 221 CB SER A 16 2.258 -3.486 13.650 1.00 2.50 C ATOM 222 OG SER A 16 2.291 -4.040 14.953 1.00 3.00 O ATOM 0 H SER A 16 1.735 -5.860 13.641 1.00 1.30 H new ATOM 0 HA SER A 16 0.184 -3.464 13.095 1.00 1.85 H new ATOM 0 HB2 SER A 16 3.189 -3.710 13.129 1.00 2.50 H new ATOM 0 HB3 SER A 16 2.180 -2.400 13.711 1.00 2.50 H new ATOM 0 HG SER A 16 3.055 -3.673 15.445 1.00 3.00 H new ATOM 228 N CYS A 17 0.258 -4.357 10.592 1.00 2.34 N ATOM 229 CA CYS A 17 0.190 -4.292 9.135 1.00 2.64 C ATOM 230 C CYS A 17 0.557 -2.886 8.681 1.00 2.18 C ATOM 231 O CYS A 17 1.360 -2.677 7.772 1.00 2.10 O ATOM 232 CB CYS A 17 -1.234 -4.633 8.667 1.00 3.33 C ATOM 233 SG CYS A 17 -1.158 -5.247 6.967 1.00 4.65 S ATOM 0 H CYS A 17 -0.573 -4.784 11.001 1.00 2.34 H new ATOM 0 HA CYS A 17 0.888 -5.010 8.703 1.00 2.64 H new ATOM 0 HB2 CYS A 17 -1.676 -5.385 9.320 1.00 3.33 H new ATOM 0 HB3 CYS A 17 -1.871 -3.750 8.721 1.00 3.33 H new ATOM 0 HG CYS A 17 -0.094 -5.979 6.817 1.00 4.65 H new ATOM 238 N VAL A 18 -0.024 -1.918 9.391 1.00 1.97 N ATOM 239 CA VAL A 18 0.195 -0.506 9.192 1.00 1.72 C ATOM 240 C VAL A 18 1.664 -0.179 9.279 1.00 1.19 C ATOM 241 O VAL A 18 2.274 0.293 8.329 1.00 0.91 O ATOM 242 CB VAL A 18 -0.624 0.304 10.210 1.00 1.89 C ATOM 243 CG1 VAL A 18 -0.551 -0.105 11.696 1.00 2.50 C ATOM 244 CG2 VAL A 18 -0.256 1.781 10.057 1.00 3.35 C ATOM 0 H VAL A 18 -0.682 -2.115 10.145 1.00 1.97 H new ATOM 0 HA VAL A 18 -0.143 -0.232 8.192 1.00 1.72 H new ATOM 0 HB VAL A 18 -1.661 0.085 9.956 1.00 1.89 H new ATOM 0 HG11 VAL A 18 -1.181 0.559 12.288 1.00 2.50 H new ATOM 0 HG12 VAL A 18 -0.900 -1.132 11.808 1.00 2.50 H new ATOM 0 HG13 VAL A 18 0.480 -0.032 12.043 1.00 2.50 H new ATOM 0 HG21 VAL A 18 -0.827 2.374 10.771 1.00 3.35 H new ATOM 0 HG22 VAL A 18 0.809 1.912 10.246 1.00 3.35 H new ATOM 0 HG23 VAL A 18 -0.488 2.111 9.044 1.00 3.35 H new ATOM 254 N ALA A 19 2.215 -0.450 10.448 1.00 1.20 N ATOM 255 CA ALA A 19 3.604 -0.194 10.762 1.00 0.96 C ATOM 256 C ALA A 19 4.512 -0.849 9.741 1.00 1.02 C ATOM 257 O ALA A 19 5.539 -0.273 9.397 1.00 0.92 O ATOM 258 CB ALA A 19 3.892 -0.718 12.164 1.00 1.21 C ATOM 0 H ALA A 19 1.695 -0.864 11.222 1.00 1.20 H new ATOM 0 HA ALA A 19 3.797 0.878 10.729 1.00 0.96 H new ATOM 0 HB1 ALA A 19 4.936 -0.532 12.415 1.00 1.21 H new ATOM 0 HB2 ALA A 19 3.250 -0.208 12.882 1.00 1.21 H new ATOM 0 HB3 ALA A 19 3.696 -1.790 12.199 1.00 1.21 H new ATOM 264 N ASN A 20 4.130 -2.021 9.244 1.00 1.43 N ATOM 265 CA ASN A 20 4.816 -2.632 8.128 1.00 1.62 C ATOM 266 C ASN A 20 4.670 -1.745 6.880 1.00 1.35 C ATOM 267 O ASN A 20 5.681 -1.291 6.345 1.00 1.25 O ATOM 268 CB ASN A 20 4.340 -4.082 7.978 1.00 2.07 C ATOM 269 CG ASN A 20 4.521 -4.605 6.566 1.00 2.20 C ATOM 270 OD1 ASN A 20 5.503 -5.262 6.244 1.00 2.47 O ATOM 271 ND2 ASN A 20 3.551 -4.307 5.715 1.00 2.18 N ATOM 0 H ASN A 20 3.344 -2.563 9.604 1.00 1.43 H new ATOM 0 HA ASN A 20 5.891 -2.698 8.296 1.00 1.62 H new ATOM 0 HB2 ASN A 20 4.892 -4.717 8.671 1.00 2.07 H new ATOM 0 HB3 ASN A 20 3.288 -4.147 8.255 1.00 2.07 H new ATOM 0 HD21 ASN A 20 3.604 -4.628 4.748 1.00 2.18 H new ATOM 0 HD22 ASN A 20 2.751 -3.757 6.026 1.00 2.18 H new ATOM 278 N ILE A 21 3.448 -1.450 6.417 1.00 1.31 N ATOM 279 CA ILE A 21 3.207 -0.693 5.202 1.00 1.19 C ATOM 280 C ILE A 21 3.946 0.661 5.233 1.00 0.81 C ATOM 281 O ILE A 21 4.609 1.054 4.275 1.00 0.81 O ATOM 282 CB ILE A 21 1.696 -0.556 4.900 1.00 1.55 C ATOM 283 CG1 ILE A 21 1.062 -1.547 3.897 1.00 2.27 C ATOM 284 CG2 ILE A 21 1.398 0.810 4.270 1.00 1.78 C ATOM 285 CD1 ILE A 21 1.279 -3.031 4.146 1.00 1.75 C ATOM 0 H ILE A 21 2.592 -1.739 6.890 1.00 1.31 H new ATOM 0 HA ILE A 21 3.626 -1.254 4.367 1.00 1.19 H new ATOM 0 HB ILE A 21 1.271 -0.740 5.887 1.00 1.55 H new ATOM 0 HG12 ILE A 21 -0.012 -1.363 3.875 1.00 2.27 H new ATOM 0 HG13 ILE A 21 1.446 -1.313 2.904 1.00 2.27 H new ATOM 0 HG21 ILE A 21 0.331 0.890 4.064 1.00 1.78 H new ATOM 0 HG22 ILE A 21 1.695 1.601 4.959 1.00 1.78 H new ATOM 0 HG23 ILE A 21 1.956 0.911 3.339 1.00 1.78 H new ATOM 0 HD11 ILE A 21 0.780 -3.607 3.367 1.00 1.75 H new ATOM 0 HD12 ILE A 21 2.347 -3.250 4.132 1.00 1.75 H new ATOM 0 HD13 ILE A 21 0.866 -3.301 5.118 1.00 1.75 H new ATOM 297 N GLU A 22 3.822 1.402 6.324 1.00 0.66 N ATOM 298 CA GLU A 22 4.501 2.670 6.535 1.00 0.61 C ATOM 299 C GLU A 22 5.982 2.576 6.149 1.00 0.61 C ATOM 300 O GLU A 22 6.521 3.473 5.508 1.00 0.75 O ATOM 301 CB GLU A 22 4.369 3.086 7.994 1.00 0.75 C ATOM 302 CG GLU A 22 2.955 3.503 8.422 1.00 1.06 C ATOM 303 CD GLU A 22 2.928 3.793 9.924 1.00 2.01 C ATOM 304 OE1 GLU A 22 3.971 3.545 10.580 1.00 2.91 O ATOM 305 OE2 GLU A 22 1.871 4.258 10.392 1.00 2.79 O ATOM 0 H GLU A 22 3.230 1.129 7.108 1.00 0.66 H new ATOM 0 HA GLU A 22 4.033 3.420 5.898 1.00 0.61 H new ATOM 0 HB2 GLU A 22 4.694 2.258 8.624 1.00 0.75 H new ATOM 0 HB3 GLU A 22 5.050 3.916 8.183 1.00 0.75 H new ATOM 0 HG2 GLU A 22 2.644 4.388 7.867 1.00 1.06 H new ATOM 0 HG3 GLU A 22 2.245 2.711 8.183 1.00 1.06 H new ATOM 312 N ARG A 23 6.657 1.488 6.527 1.00 0.85 N ATOM 313 CA ARG A 23 7.988 1.223 5.987 1.00 1.29 C ATOM 314 C ARG A 23 7.910 0.801 4.512 1.00 1.50 C ATOM 315 O ARG A 23 8.683 1.279 3.685 1.00 1.81 O ATOM 316 CB ARG A 23 8.741 0.176 6.820 1.00 1.52 C ATOM 317 CG ARG A 23 9.355 0.749 8.110 1.00 1.55 C ATOM 318 CD ARG A 23 8.322 0.863 9.236 1.00 2.84 C ATOM 319 NE ARG A 23 8.428 2.094 10.038 1.00 3.38 N ATOM 320 CZ ARG A 23 7.360 2.700 10.595 1.00 4.93 C ATOM 321 NH1 ARG A 23 6.174 2.093 10.600 1.00 6.09 N ATOM 322 NH2 ARG A 23 7.462 3.919 11.133 1.00 5.87 N ATOM 0 H ARG A 23 6.313 0.793 7.189 1.00 0.85 H new ATOM 0 HA ARG A 23 8.554 2.153 6.044 1.00 1.29 H new ATOM 0 HB2 ARG A 23 8.057 -0.632 7.080 1.00 1.52 H new ATOM 0 HB3 ARG A 23 9.533 -0.260 6.212 1.00 1.52 H new ATOM 0 HG2 ARG A 23 10.177 0.111 8.435 1.00 1.55 H new ATOM 0 HG3 ARG A 23 9.777 1.733 7.905 1.00 1.55 H new ATOM 0 HD2 ARG A 23 7.323 0.811 8.803 1.00 2.84 H new ATOM 0 HD3 ARG A 23 8.427 0.003 9.897 1.00 2.84 H new ATOM 0 HE ARG A 23 9.350 2.506 10.178 1.00 3.38 H new ATOM 0 HH11 ARG A 23 6.073 1.168 10.182 1.00 6.09 H new ATOM 0 HH12 ARG A 23 5.367 2.553 11.022 1.00 6.09 H new ATOM 0 HH21 ARG A 23 8.358 4.406 11.126 1.00 5.87 H new ATOM 0 HH22 ARG A 23 6.644 4.362 11.550 1.00 5.87 H new ATOM 336 N ASN A 24 7.004 -0.123 4.185 1.00 1.50 N ATOM 337 CA ASN A 24 6.979 -0.852 2.928 1.00 1.92 C ATOM 338 C ASN A 24 6.951 0.054 1.704 1.00 1.87 C ATOM 339 O ASN A 24 7.665 -0.209 0.739 1.00 2.47 O ATOM 340 CB ASN A 24 5.852 -1.904 2.942 1.00 2.18 C ATOM 341 CG ASN A 24 4.594 -1.659 2.090 1.00 2.89 C ATOM 342 OD1 ASN A 24 4.240 -2.511 1.285 1.00 4.24 O ATOM 343 ND2 ASN A 24 3.846 -0.568 2.275 1.00 2.95 N ATOM 0 H ASN A 24 6.245 -0.389 4.813 1.00 1.50 H new ATOM 0 HA ASN A 24 7.924 -1.387 2.837 1.00 1.92 H new ATOM 0 HB2 ASN A 24 6.284 -2.854 2.626 1.00 2.18 H new ATOM 0 HB3 ASN A 24 5.530 -2.028 3.976 1.00 2.18 H new ATOM 0 HD21 ASN A 24 2.982 -0.446 1.746 1.00 2.95 H new ATOM 0 HD22 ASN A 24 4.139 0.143 2.945 1.00 2.95 H new ATOM 350 N LEU A 25 6.079 1.062 1.710 1.00 1.34 N ATOM 351 CA LEU A 25 5.826 1.909 0.555 1.00 1.33 C ATOM 352 C LEU A 25 6.914 2.981 0.362 1.00 1.71 C ATOM 353 O LEU A 25 7.218 3.411 -0.749 1.00 2.00 O ATOM 354 CB LEU A 25 4.315 2.266 0.515 1.00 1.18 C ATOM 355 CG LEU A 25 3.724 1.679 -0.782 1.00 1.81 C ATOM 356 CD1 LEU A 25 3.643 0.148 -0.645 1.00 1.65 C ATOM 357 CD2 LEU A 25 2.301 2.142 -1.077 1.00 3.17 C ATOM 0 H LEU A 25 5.524 1.312 2.529 1.00 1.34 H new ATOM 0 HA LEU A 25 5.963 1.399 -0.399 1.00 1.33 H new ATOM 0 HB2 LEU A 25 3.803 1.858 1.386 1.00 1.18 H new ATOM 0 HB3 LEU A 25 4.177 3.347 0.542 1.00 1.18 H new ATOM 0 HG LEU A 25 4.380 2.017 -1.585 1.00 1.81 H new ATOM 0 HD11 LEU A 25 3.226 -0.277 -1.558 1.00 1.65 H new ATOM 0 HD12 LEU A 25 4.642 -0.256 -0.480 1.00 1.65 H new ATOM 0 HD13 LEU A 25 3.004 -0.108 0.200 1.00 1.65 H new ATOM 0 HD21 LEU A 25 1.955 1.686 -2.005 1.00 3.17 H new ATOM 0 HD22 LEU A 25 1.645 1.844 -0.260 1.00 3.17 H new ATOM 0 HD23 LEU A 25 2.285 3.227 -1.178 1.00 3.17 H new ATOM 369 N ARG A 26 7.604 3.314 1.451 1.00 1.97 N ATOM 370 CA ARG A 26 8.721 4.223 1.584 1.00 2.61 C ATOM 371 C ARG A 26 9.966 4.059 0.722 1.00 3.27 C ATOM 372 O ARG A 26 10.938 4.784 0.923 1.00 3.96 O ATOM 373 CB ARG A 26 8.888 4.714 3.027 1.00 2.49 C ATOM 374 CG ARG A 26 7.979 5.941 3.086 1.00 2.24 C ATOM 375 CD ARG A 26 7.881 6.619 4.453 1.00 2.72 C ATOM 376 NE ARG A 26 9.197 7.021 4.970 1.00 3.59 N ATOM 377 CZ ARG A 26 9.885 8.125 4.627 1.00 4.63 C ATOM 378 NH1 ARG A 26 9.497 8.916 3.621 1.00 5.51 N ATOM 379 NH2 ARG A 26 10.984 8.449 5.318 1.00 5.71 N ATOM 0 H ARG A 26 7.361 2.905 2.353 1.00 1.97 H new ATOM 0 HA ARG A 26 8.402 5.085 0.997 1.00 2.61 H new ATOM 0 HB2 ARG A 26 8.586 3.954 3.748 1.00 2.49 H new ATOM 0 HB3 ARG A 26 9.924 4.970 3.248 1.00 2.49 H new ATOM 0 HG2 ARG A 26 8.337 6.672 2.361 1.00 2.24 H new ATOM 0 HG3 ARG A 26 6.978 5.646 2.773 1.00 2.24 H new ATOM 0 HD2 ARG A 26 7.239 7.497 4.376 1.00 2.72 H new ATOM 0 HD3 ARG A 26 7.407 5.939 5.161 1.00 2.72 H new ATOM 0 HE ARG A 26 9.631 6.403 5.656 1.00 3.59 H new ATOM 0 HH11 ARG A 26 8.657 8.689 3.089 1.00 5.51 H new ATOM 0 HH12 ARG A 26 10.041 9.746 3.386 1.00 5.51 H new ATOM 0 HH21 ARG A 26 11.290 7.862 6.094 1.00 5.71 H new ATOM 0 HH22 ARG A 26 11.515 9.283 5.069 1.00 5.71 H new ATOM 393 N ARG A 27 9.993 3.086 -0.191 1.00 3.49 N ATOM 394 CA ARG A 27 10.865 3.278 -1.352 1.00 3.89 C ATOM 395 C ARG A 27 10.704 4.694 -1.936 1.00 2.90 C ATOM 396 O ARG A 27 11.666 5.247 -2.463 1.00 3.43 O ATOM 397 CB ARG A 27 10.617 2.244 -2.457 1.00 4.78 C ATOM 398 CG ARG A 27 10.349 0.844 -1.907 1.00 5.38 C ATOM 399 CD ARG A 27 10.907 -0.255 -2.843 1.00 6.71 C ATOM 400 NE ARG A 27 10.215 -1.564 -2.772 1.00 7.89 N ATOM 401 CZ ARG A 27 9.420 -1.999 -1.788 1.00 8.32 C ATOM 402 NH1 ARG A 27 9.529 -1.510 -0.555 1.00 7.95 N ATOM 403 NH2 ARG A 27 8.507 -2.913 -2.078 1.00 9.77 N ATOM 0 H ARG A 27 9.462 2.216 -0.160 1.00 3.49 H new ATOM 0 HA ARG A 27 11.884 3.143 -0.989 1.00 3.89 H new ATOM 0 HB2 ARG A 27 9.767 2.561 -3.061 1.00 4.78 H new ATOM 0 HB3 ARG A 27 11.483 2.210 -3.118 1.00 4.78 H new ATOM 0 HG2 ARG A 27 10.803 0.747 -0.921 1.00 5.38 H new ATOM 0 HG3 ARG A 27 9.276 0.703 -1.779 1.00 5.38 H new ATOM 0 HD2 ARG A 27 10.858 0.107 -3.870 1.00 6.71 H new ATOM 0 HD3 ARG A 27 11.961 -0.407 -2.609 1.00 6.71 H new ATOM 0 HE ARG A 27 10.360 -2.200 -3.556 1.00 7.89 H new ATOM 0 HH11 ARG A 27 10.226 -0.794 -0.350 1.00 7.95 H new ATOM 0 HH12 ARG A 27 8.916 -1.851 0.185 1.00 7.95 H new ATOM 0 HH21 ARG A 27 8.424 -3.267 -3.031 1.00 9.77 H new ATOM 0 HH22 ARG A 27 7.887 -3.264 -1.348 1.00 9.77 H new ATOM 417 N GLU A 28 9.492 5.263 -1.842 1.00 1.85 N ATOM 418 CA GLU A 28 9.156 6.557 -2.421 1.00 1.99 C ATOM 419 C GLU A 28 9.263 6.463 -3.938 1.00 1.73 C ATOM 420 O GLU A 28 9.068 5.382 -4.494 1.00 2.76 O ATOM 421 CB GLU A 28 9.927 7.723 -1.760 1.00 3.70 C ATOM 422 CG GLU A 28 9.711 7.840 -0.239 1.00 4.78 C ATOM 423 CD GLU A 28 8.357 8.420 0.170 1.00 6.36 C ATOM 424 OE1 GLU A 28 7.481 8.550 -0.709 1.00 7.03 O ATOM 425 OE2 GLU A 28 8.222 8.731 1.375 1.00 7.36 O ATOM 0 H GLU A 28 8.712 4.824 -1.353 1.00 1.85 H new ATOM 0 HA GLU A 28 8.119 6.811 -2.200 1.00 1.99 H new ATOM 0 HB2 GLU A 28 10.992 7.597 -1.956 1.00 3.70 H new ATOM 0 HB3 GLU A 28 9.624 8.658 -2.232 1.00 3.70 H new ATOM 0 HG2 GLU A 28 9.817 6.851 0.207 1.00 4.78 H new ATOM 0 HG3 GLU A 28 10.500 8.465 0.180 1.00 4.78 H new ATOM 432 N GLU A 29 9.497 7.594 -4.607 1.00 2.02 N ATOM 433 CA GLU A 29 9.603 7.654 -6.053 1.00 2.53 C ATOM 434 C GLU A 29 8.298 7.143 -6.672 1.00 1.96 C ATOM 435 O GLU A 29 8.271 6.216 -7.478 1.00 2.53 O ATOM 436 CB GLU A 29 10.858 6.880 -6.475 1.00 3.58 C ATOM 437 CG GLU A 29 11.345 7.279 -7.876 1.00 4.76 C ATOM 438 CD GLU A 29 12.677 6.627 -8.234 1.00 5.51 C ATOM 439 OE1 GLU A 29 12.969 5.555 -7.661 1.00 5.51 O ATOM 440 OE2 GLU A 29 13.383 7.225 -9.073 1.00 6.50 O ATOM 0 H GLU A 29 9.618 8.498 -4.150 1.00 2.02 H new ATOM 0 HA GLU A 29 9.726 8.673 -6.421 1.00 2.53 H new ATOM 0 HB2 GLU A 29 11.653 7.059 -5.752 1.00 3.58 H new ATOM 0 HB3 GLU A 29 10.646 5.811 -6.457 1.00 3.58 H new ATOM 0 HG2 GLU A 29 10.594 6.995 -8.614 1.00 4.76 H new ATOM 0 HG3 GLU A 29 11.448 8.363 -7.927 1.00 4.76 H new ATOM 447 N GLY A 30 7.188 7.751 -6.246 1.00 1.42 N ATOM 448 CA GLY A 30 5.860 7.281 -6.592 1.00 1.60 C ATOM 449 C GLY A 30 4.862 7.663 -5.513 1.00 1.10 C ATOM 450 O GLY A 30 3.773 8.143 -5.813 1.00 1.01 O ATOM 0 H GLY A 30 7.193 8.581 -5.653 1.00 1.42 H new ATOM 0 HA2 GLY A 30 5.554 7.709 -7.547 1.00 1.60 H new ATOM 0 HA3 GLY A 30 5.872 6.198 -6.717 1.00 1.60 H new ATOM 454 N ILE A 31 5.238 7.429 -4.259 1.00 0.97 N ATOM 455 CA ILE A 31 4.368 7.566 -3.104 1.00 0.76 C ATOM 456 C ILE A 31 4.312 9.050 -2.699 1.00 0.92 C ATOM 457 O ILE A 31 5.240 9.802 -2.989 1.00 1.49 O ATOM 458 CB ILE A 31 4.936 6.665 -1.985 1.00 0.78 C ATOM 459 CG1 ILE A 31 4.820 5.155 -2.264 1.00 1.14 C ATOM 460 CG2 ILE A 31 4.203 6.892 -0.669 1.00 1.10 C ATOM 461 CD1 ILE A 31 5.775 4.596 -3.320 1.00 2.58 C ATOM 0 H ILE A 31 6.183 7.131 -4.016 1.00 0.97 H new ATOM 0 HA ILE A 31 3.346 7.251 -3.315 1.00 0.76 H new ATOM 0 HB ILE A 31 5.988 6.948 -1.938 1.00 0.78 H new ATOM 0 HG12 ILE A 31 4.988 4.619 -1.330 1.00 1.14 H new ATOM 0 HG13 ILE A 31 3.798 4.940 -2.576 1.00 1.14 H new ATOM 0 HG21 ILE A 31 4.625 6.244 0.099 1.00 1.10 H new ATOM 0 HG22 ILE A 31 4.313 7.933 -0.366 1.00 1.10 H new ATOM 0 HG23 ILE A 31 3.145 6.661 -0.797 1.00 1.10 H new ATOM 0 HD11 ILE A 31 5.605 3.525 -3.434 1.00 2.58 H new ATOM 0 HD12 ILE A 31 5.597 5.095 -4.272 1.00 2.58 H new ATOM 0 HD13 ILE A 31 6.805 4.769 -3.007 1.00 2.58 H new ATOM 473 N TYR A 32 3.217 9.482 -2.054 1.00 0.68 N ATOM 474 CA TYR A 32 3.158 10.784 -1.391 1.00 0.95 C ATOM 475 C TYR A 32 2.179 10.798 -0.194 1.00 0.88 C ATOM 476 O TYR A 32 1.623 11.829 0.181 1.00 1.05 O ATOM 477 CB TYR A 32 2.637 11.757 -2.468 1.00 1.37 C ATOM 478 CG TYR A 32 3.626 12.790 -2.962 1.00 1.33 C ATOM 479 CD1 TYR A 32 3.797 13.990 -2.250 1.00 2.15 C ATOM 480 CD2 TYR A 32 4.250 12.622 -4.213 1.00 2.24 C ATOM 481 CE1 TYR A 32 4.574 15.028 -2.794 1.00 2.87 C ATOM 482 CE2 TYR A 32 5.009 13.666 -4.765 1.00 2.60 C ATOM 483 CZ TYR A 32 5.177 14.865 -4.054 1.00 2.68 C ATOM 484 OH TYR A 32 5.896 15.883 -4.607 1.00 3.54 O ATOM 0 H TYR A 32 2.356 8.940 -1.980 1.00 0.68 H new ATOM 0 HA TYR A 32 4.138 11.048 -0.993 1.00 0.95 H new ATOM 0 HB2 TYR A 32 2.295 11.173 -3.322 1.00 1.37 H new ATOM 0 HB3 TYR A 32 1.767 12.278 -2.069 1.00 1.37 H new ATOM 0 HD1 TYR A 32 3.331 14.115 -1.284 1.00 2.15 H new ATOM 0 HD2 TYR A 32 4.145 11.690 -4.748 1.00 2.24 H new ATOM 0 HE1 TYR A 32 4.707 15.949 -2.245 1.00 2.87 H new ATOM 0 HE2 TYR A 32 5.464 13.547 -5.737 1.00 2.60 H new ATOM 0 HH TYR A 32 6.244 15.602 -5.479 1.00 3.54 H new ATOM 494 N SER A 33 2.107 9.691 0.532 1.00 0.90 N ATOM 495 CA SER A 33 1.901 9.474 1.965 1.00 1.32 C ATOM 496 C SER A 33 2.247 7.996 2.144 1.00 1.44 C ATOM 497 O SER A 33 2.105 7.280 1.155 1.00 1.38 O ATOM 498 CB SER A 33 0.435 9.687 2.367 1.00 1.40 C ATOM 499 OG SER A 33 0.027 11.041 2.271 1.00 2.25 O ATOM 0 H SER A 33 2.206 8.791 0.062 1.00 0.90 H new ATOM 0 HA SER A 33 2.494 10.160 2.570 1.00 1.32 H new ATOM 0 HB2 SER A 33 -0.204 9.075 1.730 1.00 1.40 H new ATOM 0 HB3 SER A 33 0.290 9.341 3.390 1.00 1.40 H new ATOM 0 HG SER A 33 0.555 11.493 1.580 1.00 2.25 H new ATOM 505 N ILE A 34 2.540 7.459 3.336 1.00 1.64 N ATOM 506 CA ILE A 34 2.316 6.034 3.496 1.00 1.46 C ATOM 507 C ILE A 34 1.736 5.729 4.862 1.00 2.68 C ATOM 508 O ILE A 34 2.066 6.364 5.860 1.00 3.78 O ATOM 509 CB ILE A 34 3.495 5.163 3.108 1.00 1.89 C ATOM 510 CG1 ILE A 34 3.032 3.695 3.112 1.00 3.14 C ATOM 511 CG2 ILE A 34 4.685 5.439 4.019 1.00 1.56 C ATOM 512 CD1 ILE A 34 1.931 3.422 2.054 1.00 4.45 C ATOM 0 H ILE A 34 2.907 7.956 4.147 1.00 1.64 H new ATOM 0 HA ILE A 34 1.562 5.751 2.761 1.00 1.46 H new ATOM 0 HB ILE A 34 3.844 5.396 2.102 1.00 1.89 H new ATOM 0 HG12 ILE A 34 3.887 3.046 2.919 1.00 3.14 H new ATOM 0 HG13 ILE A 34 2.654 3.438 4.101 1.00 3.14 H new ATOM 0 HG21 ILE A 34 5.522 4.805 3.726 1.00 1.56 H new ATOM 0 HG22 ILE A 34 4.975 6.486 3.932 1.00 1.56 H new ATOM 0 HG23 ILE A 34 4.410 5.223 5.052 1.00 1.56 H new ATOM 0 HD11 ILE A 34 1.638 2.373 2.096 1.00 4.45 H new ATOM 0 HD12 ILE A 34 1.064 4.050 2.261 1.00 4.45 H new ATOM 0 HD13 ILE A 34 2.316 3.651 1.060 1.00 4.45 H new ATOM 524 N LEU A 35 0.710 4.896 4.784 1.00 2.66 N ATOM 525 CA LEU A 35 -0.374 4.802 5.728 1.00 3.71 C ATOM 526 C LEU A 35 -1.169 3.540 5.439 1.00 2.35 C ATOM 527 O LEU A 35 -0.840 2.809 4.512 1.00 2.28 O ATOM 528 CB LEU A 35 -1.174 6.071 5.750 1.00 5.52 C ATOM 529 CG LEU A 35 -1.892 6.299 4.445 1.00 5.59 C ATOM 530 CD1 LEU A 35 -1.086 6.238 3.134 1.00 6.10 C ATOM 531 CD2 LEU A 35 -3.224 5.580 4.356 1.00 6.12 C ATOM 0 H LEU A 35 0.613 4.234 4.014 1.00 2.66 H new ATOM 0 HA LEU A 35 -0.001 4.703 6.747 1.00 3.71 H new ATOM 0 HB2 LEU A 35 -1.900 6.030 6.562 1.00 5.52 H new ATOM 0 HB3 LEU A 35 -0.514 6.914 5.954 1.00 5.52 H new ATOM 0 HG LEU A 35 -2.087 7.369 4.516 1.00 5.59 H new ATOM 0 HD11 LEU A 35 -1.750 6.423 2.290 1.00 6.10 H new ATOM 0 HD12 LEU A 35 -0.303 6.996 3.153 1.00 6.10 H new ATOM 0 HD13 LEU A 35 -0.634 5.252 3.030 1.00 6.10 H new ATOM 0 HD21 LEU A 35 -3.686 5.788 3.391 1.00 6.12 H new ATOM 0 HD22 LEU A 35 -3.066 4.506 4.459 1.00 6.12 H new ATOM 0 HD23 LEU A 35 -3.879 5.928 5.155 1.00 6.12 H new ATOM 543 N VAL A 36 -2.225 3.306 6.211 1.00 1.64 N ATOM 544 CA VAL A 36 -3.046 2.131 6.172 1.00 0.69 C ATOM 545 C VAL A 36 -4.381 2.491 6.819 1.00 0.76 C ATOM 546 O VAL A 36 -4.414 3.009 7.935 1.00 1.63 O ATOM 547 CB VAL A 36 -2.294 0.990 6.862 1.00 0.97 C ATOM 548 CG1 VAL A 36 -3.201 -0.049 7.483 1.00 1.68 C ATOM 549 CG2 VAL A 36 -1.307 0.314 5.909 1.00 0.96 C ATOM 0 H VAL A 36 -2.536 3.976 6.914 1.00 1.64 H new ATOM 0 HA VAL A 36 -3.258 1.784 5.161 1.00 0.69 H new ATOM 0 HB VAL A 36 -1.746 1.462 7.678 1.00 0.97 H new ATOM 0 HG11 VAL A 36 -2.597 -0.825 7.953 1.00 1.68 H new ATOM 0 HG12 VAL A 36 -3.834 0.423 8.235 1.00 1.68 H new ATOM 0 HG13 VAL A 36 -3.827 -0.495 6.710 1.00 1.68 H new ATOM 0 HG21 VAL A 36 -0.790 -0.491 6.431 1.00 0.96 H new ATOM 0 HG22 VAL A 36 -1.848 -0.095 5.056 1.00 0.96 H new ATOM 0 HG23 VAL A 36 -0.579 1.046 5.560 1.00 0.96 H new ATOM 559 N ALA A 37 -5.485 2.209 6.135 1.00 0.75 N ATOM 560 CA ALA A 37 -6.824 2.397 6.666 1.00 0.86 C ATOM 561 C ALA A 37 -7.181 1.161 7.487 1.00 0.83 C ATOM 562 O ALA A 37 -8.101 0.420 7.141 1.00 0.74 O ATOM 563 CB ALA A 37 -7.805 2.615 5.510 1.00 0.89 C ATOM 0 H ALA A 37 -5.471 1.839 5.185 1.00 0.75 H new ATOM 0 HA ALA A 37 -6.876 3.276 7.308 1.00 0.86 H new ATOM 0 HB1 ALA A 37 -8.810 2.756 5.907 1.00 0.89 H new ATOM 0 HB2 ALA A 37 -7.511 3.499 4.945 1.00 0.89 H new ATOM 0 HB3 ALA A 37 -7.793 1.745 4.854 1.00 0.89 H new ATOM 569 N LEU A 38 -6.442 0.915 8.576 1.00 1.04 N ATOM 570 CA LEU A 38 -6.560 -0.355 9.289 1.00 1.06 C ATOM 571 C LEU A 38 -7.982 -0.576 9.813 1.00 1.13 C ATOM 572 O LEU A 38 -8.460 -1.706 9.845 1.00 1.31 O ATOM 573 CB LEU A 38 -5.517 -0.506 10.414 1.00 1.39 C ATOM 574 CG LEU A 38 -4.622 -1.758 10.290 1.00 1.63 C ATOM 575 CD1 LEU A 38 -3.887 -1.986 11.615 1.00 2.39 C ATOM 576 CD2 LEU A 38 -5.368 -3.041 9.895 1.00 2.70 C ATOM 0 H LEU A 38 -5.768 1.569 8.975 1.00 1.04 H new ATOM 0 HA LEU A 38 -6.346 -1.137 8.560 1.00 1.06 H new ATOM 0 HB2 LEU A 38 -4.882 0.380 10.425 1.00 1.39 H new ATOM 0 HB3 LEU A 38 -6.036 -0.539 11.372 1.00 1.39 H new ATOM 0 HG LEU A 38 -3.928 -1.553 9.475 1.00 1.63 H new ATOM 0 HD11 LEU A 38 -3.254 -2.869 11.532 1.00 2.39 H new ATOM 0 HD12 LEU A 38 -3.270 -1.117 11.843 1.00 2.39 H new ATOM 0 HD13 LEU A 38 -4.614 -2.134 12.414 1.00 2.39 H new ATOM 0 HD21 LEU A 38 -4.661 -3.868 9.832 1.00 2.70 H new ATOM 0 HD22 LEU A 38 -6.125 -3.267 10.646 1.00 2.70 H new ATOM 0 HD23 LEU A 38 -5.848 -2.899 8.927 1.00 2.70 H new ATOM 588 N MET A 39 -8.685 0.506 10.165 1.00 1.28 N ATOM 589 CA MET A 39 -10.096 0.465 10.536 1.00 1.56 C ATOM 590 C MET A 39 -10.947 -0.222 9.458 1.00 1.48 C ATOM 591 O MET A 39 -11.889 -0.942 9.776 1.00 1.76 O ATOM 592 CB MET A 39 -10.595 1.894 10.791 1.00 1.94 C ATOM 593 CG MET A 39 -9.899 2.542 11.996 1.00 2.06 C ATOM 594 SD MET A 39 -10.465 4.222 12.362 1.00 2.59 S ATOM 595 CE MET A 39 -9.429 4.596 13.794 1.00 3.26 C ATOM 0 H MET A 39 -8.282 1.443 10.199 1.00 1.28 H new ATOM 0 HA MET A 39 -10.197 -0.125 11.447 1.00 1.56 H new ATOM 0 HB2 MET A 39 -10.422 2.502 9.903 1.00 1.94 H new ATOM 0 HB3 MET A 39 -11.672 1.877 10.961 1.00 1.94 H new ATOM 0 HG2 MET A 39 -10.060 1.917 12.874 1.00 2.06 H new ATOM 0 HG3 MET A 39 -8.825 2.564 11.813 1.00 2.06 H new ATOM 0 HE1 MET A 39 -9.650 5.602 14.150 1.00 3.26 H new ATOM 0 HE2 MET A 39 -9.632 3.877 14.588 1.00 3.26 H new ATOM 0 HE3 MET A 39 -8.379 4.535 13.509 1.00 3.26 H new ATOM 605 N ALA A 40 -10.609 -0.007 8.182 1.00 1.37 N ATOM 606 CA ALA A 40 -11.263 -0.629 7.036 1.00 1.48 C ATOM 607 C ALA A 40 -10.565 -1.929 6.613 1.00 1.39 C ATOM 608 O ALA A 40 -10.889 -2.488 5.561 1.00 2.30 O ATOM 609 CB ALA A 40 -11.254 0.369 5.881 1.00 1.54 C ATOM 0 H ALA A 40 -9.852 0.622 7.916 1.00 1.37 H new ATOM 0 HA ALA A 40 -12.284 -0.891 7.313 1.00 1.48 H new ATOM 0 HB1 ALA A 40 -11.739 -0.076 5.012 1.00 1.54 H new ATOM 0 HB2 ALA A 40 -11.792 1.270 6.175 1.00 1.54 H new ATOM 0 HB3 ALA A 40 -10.225 0.626 5.630 1.00 1.54 H new ATOM 615 N GLY A 41 -9.591 -2.387 7.401 1.00 0.69 N ATOM 616 CA GLY A 41 -8.893 -3.652 7.232 1.00 0.71 C ATOM 617 C GLY A 41 -8.095 -3.695 5.937 1.00 0.86 C ATOM 618 O GLY A 41 -8.128 -4.699 5.224 1.00 1.19 O ATOM 0 H GLY A 41 -9.256 -1.860 8.208 1.00 0.69 H new ATOM 0 HA2 GLY A 41 -8.222 -3.812 8.076 1.00 0.71 H new ATOM 0 HA3 GLY A 41 -9.615 -4.468 7.240 1.00 0.71 H new ATOM 622 N LYS A 42 -7.472 -2.571 5.574 1.00 0.74 N ATOM 623 CA LYS A 42 -7.008 -2.349 4.227 1.00 0.95 C ATOM 624 C LYS A 42 -5.981 -1.222 4.260 1.00 0.67 C ATOM 625 O LYS A 42 -6.044 -0.351 5.126 1.00 0.51 O ATOM 626 CB LYS A 42 -8.278 -2.076 3.418 1.00 1.30 C ATOM 627 CG LYS A 42 -8.259 -1.028 2.327 1.00 2.31 C ATOM 628 CD LYS A 42 -9.511 -1.198 1.443 1.00 2.49 C ATOM 629 CE LYS A 42 -10.882 -1.186 2.153 1.00 2.80 C ATOM 630 NZ LYS A 42 -11.203 -2.425 2.906 1.00 4.18 N ATOM 0 H LYS A 42 -7.282 -1.799 6.213 1.00 0.74 H new ATOM 0 HA LYS A 42 -6.485 -3.184 3.760 1.00 0.95 H new ATOM 0 HB2 LYS A 42 -8.582 -3.018 2.960 1.00 1.30 H new ATOM 0 HB3 LYS A 42 -9.061 -1.798 4.124 1.00 1.30 H new ATOM 0 HG2 LYS A 42 -8.240 -0.030 2.765 1.00 2.31 H new ATOM 0 HG3 LYS A 42 -7.356 -1.129 1.724 1.00 2.31 H new ATOM 0 HD2 LYS A 42 -9.509 -0.402 0.698 1.00 2.49 H new ATOM 0 HD3 LYS A 42 -9.418 -2.140 0.903 1.00 2.49 H new ATOM 0 HE2 LYS A 42 -10.912 -0.341 2.841 1.00 2.80 H new ATOM 0 HE3 LYS A 42 -11.660 -1.018 1.408 1.00 2.80 H new ATOM 0 HZ1 LYS A 42 -12.177 -2.719 2.691 1.00 4.18 H new ATOM 0 HZ2 LYS A 42 -10.544 -3.180 2.629 1.00 4.18 H new ATOM 0 HZ3 LYS A 42 -11.113 -2.244 3.926 1.00 4.18 H new ATOM 644 N ALA A 43 -5.047 -1.219 3.315 1.00 1.32 N ATOM 645 CA ALA A 43 -4.062 -0.164 3.211 1.00 1.14 C ATOM 646 C ALA A 43 -4.684 1.025 2.476 1.00 1.15 C ATOM 647 O ALA A 43 -5.658 0.851 1.737 1.00 1.23 O ATOM 648 CB ALA A 43 -2.815 -0.695 2.498 1.00 1.24 C ATOM 0 H ALA A 43 -4.957 -1.947 2.606 1.00 1.32 H new ATOM 0 HA ALA A 43 -3.753 0.174 4.200 1.00 1.14 H new ATOM 0 HB1 ALA A 43 -2.074 0.100 2.420 1.00 1.24 H new ATOM 0 HB2 ALA A 43 -2.397 -1.526 3.066 1.00 1.24 H new ATOM 0 HB3 ALA A 43 -3.085 -1.038 1.499 1.00 1.24 H new ATOM 654 N GLU A 44 -4.123 2.225 2.670 1.00 1.20 N ATOM 655 CA GLU A 44 -4.405 3.369 1.819 1.00 1.25 C ATOM 656 C GLU A 44 -3.087 3.975 1.369 1.00 1.33 C ATOM 657 O GLU A 44 -2.061 3.652 1.958 1.00 2.19 O ATOM 658 CB GLU A 44 -5.519 4.282 2.383 1.00 1.33 C ATOM 659 CG GLU A 44 -5.930 5.472 1.488 1.00 1.65 C ATOM 660 CD GLU A 44 -5.348 6.829 1.870 1.00 3.00 C ATOM 661 OE1 GLU A 44 -5.799 7.384 2.894 1.00 3.21 O ATOM 662 OE2 GLU A 44 -4.429 7.325 1.184 1.00 4.63 O ATOM 0 H GLU A 44 -3.463 2.422 3.422 1.00 1.20 H new ATOM 0 HA GLU A 44 -4.892 3.081 0.887 1.00 1.25 H new ATOM 0 HB2 GLU A 44 -6.402 3.672 2.572 1.00 1.33 H new ATOM 0 HB3 GLU A 44 -5.190 4.673 3.346 1.00 1.33 H new ATOM 0 HG2 GLU A 44 -5.635 5.248 0.463 1.00 1.65 H new ATOM 0 HG3 GLU A 44 -7.017 5.550 1.498 1.00 1.65 H new ATOM 669 N VAL A 45 -3.073 4.712 0.259 1.00 1.09 N ATOM 670 CA VAL A 45 -1.898 5.281 -0.326 1.00 1.00 C ATOM 671 C VAL A 45 -2.350 6.539 -1.072 1.00 0.82 C ATOM 672 O VAL A 45 -3.353 6.526 -1.790 1.00 0.86 O ATOM 673 CB VAL A 45 -1.241 4.223 -1.225 1.00 1.11 C ATOM 674 CG1 VAL A 45 -2.237 3.492 -2.130 1.00 1.48 C ATOM 675 CG2 VAL A 45 -0.237 4.907 -2.129 1.00 1.62 C ATOM 0 H VAL A 45 -3.922 4.927 -0.264 1.00 1.09 H new ATOM 0 HA VAL A 45 -1.141 5.572 0.403 1.00 1.00 H new ATOM 0 HB VAL A 45 -0.783 3.491 -0.560 1.00 1.11 H new ATOM 0 HG11 VAL A 45 -1.706 2.759 -2.738 1.00 1.48 H new ATOM 0 HG12 VAL A 45 -2.981 2.984 -1.516 1.00 1.48 H new ATOM 0 HG13 VAL A 45 -2.734 4.212 -2.781 1.00 1.48 H new ATOM 0 HG21 VAL A 45 0.237 4.166 -2.773 1.00 1.62 H new ATOM 0 HG22 VAL A 45 -0.747 5.649 -2.744 1.00 1.62 H new ATOM 0 HG23 VAL A 45 0.523 5.399 -1.522 1.00 1.62 H new ATOM 685 N ARG A 46 -1.559 7.602 -0.944 1.00 0.74 N ATOM 686 CA ARG A 46 -1.527 8.707 -1.881 1.00 0.57 C ATOM 687 C ARG A 46 -0.254 8.519 -2.689 1.00 0.46 C ATOM 688 O ARG A 46 0.783 8.203 -2.108 1.00 0.52 O ATOM 689 CB ARG A 46 -1.535 10.035 -1.124 1.00 0.68 C ATOM 690 CG ARG A 46 -2.965 10.363 -0.680 1.00 1.90 C ATOM 691 CD ARG A 46 -3.050 10.823 0.778 1.00 2.71 C ATOM 692 NE ARG A 46 -3.259 9.691 1.701 1.00 4.43 N ATOM 693 CZ ARG A 46 -3.166 9.795 3.034 1.00 5.52 C ATOM 694 NH1 ARG A 46 -2.293 10.650 3.579 1.00 5.35 N ATOM 695 NH2 ARG A 46 -3.954 9.061 3.823 1.00 7.16 N ATOM 0 H ARG A 46 -0.910 7.715 -0.165 1.00 0.74 H new ATOM 0 HA ARG A 46 -2.398 8.726 -2.536 1.00 0.57 H new ATOM 0 HB2 ARG A 46 -0.878 9.975 -0.256 1.00 0.68 H new ATOM 0 HB3 ARG A 46 -1.149 10.831 -1.761 1.00 0.68 H new ATOM 0 HG2 ARG A 46 -3.370 11.143 -1.325 1.00 1.90 H new ATOM 0 HG3 ARG A 46 -3.592 9.481 -0.814 1.00 1.90 H new ATOM 0 HD2 ARG A 46 -2.133 11.347 1.048 1.00 2.71 H new ATOM 0 HD3 ARG A 46 -3.867 11.536 0.887 1.00 2.71 H new ATOM 0 HE ARG A 46 -3.487 8.780 1.303 1.00 4.43 H new ATOM 0 HH11 ARG A 46 -1.698 11.223 2.980 1.00 5.35 H new ATOM 0 HH12 ARG A 46 -2.222 10.729 4.593 1.00 5.35 H new ATOM 0 HH21 ARG A 46 -4.630 8.418 3.412 1.00 7.16 H new ATOM 0 HH22 ARG A 46 -3.880 9.143 4.837 1.00 7.16 H new ATOM 709 N TYR A 47 -0.343 8.633 -4.012 1.00 0.47 N ATOM 710 CA TYR A 47 0.740 8.305 -4.925 1.00 0.52 C ATOM 711 C TYR A 47 0.524 9.055 -6.235 1.00 0.61 C ATOM 712 O TYR A 47 -0.559 9.591 -6.449 1.00 0.70 O ATOM 713 CB TYR A 47 0.795 6.788 -5.154 1.00 0.59 C ATOM 714 CG TYR A 47 -0.324 6.214 -6.010 1.00 0.58 C ATOM 715 CD1 TYR A 47 -1.678 6.336 -5.636 1.00 1.97 C ATOM 716 CD2 TYR A 47 -0.003 5.600 -7.233 1.00 1.67 C ATOM 717 CE1 TYR A 47 -2.694 5.937 -6.522 1.00 1.97 C ATOM 718 CE2 TYR A 47 -1.017 5.093 -8.059 1.00 1.76 C ATOM 719 CZ TYR A 47 -2.366 5.282 -7.721 1.00 0.83 C ATOM 720 OH TYR A 47 -3.326 5.012 -8.648 1.00 1.21 O ATOM 0 H TYR A 47 -1.185 8.962 -4.484 1.00 0.47 H new ATOM 0 HA TYR A 47 1.696 8.609 -4.498 1.00 0.52 H new ATOM 0 HB2 TYR A 47 1.749 6.543 -5.622 1.00 0.59 H new ATOM 0 HB3 TYR A 47 0.778 6.291 -4.184 1.00 0.59 H new ATOM 0 HD1 TYR A 47 -1.935 6.737 -4.667 1.00 1.97 H new ATOM 0 HD2 TYR A 47 1.030 5.518 -7.538 1.00 1.67 H new ATOM 0 HE1 TYR A 47 -3.728 6.134 -6.281 1.00 1.97 H new ATOM 0 HE2 TYR A 47 -0.759 4.555 -8.959 1.00 1.76 H new ATOM 0 HH TYR A 47 -3.877 4.262 -8.340 1.00 1.21 H new ATOM 730 N ASN A 48 1.526 9.093 -7.113 1.00 0.68 N ATOM 731 CA ASN A 48 1.452 9.773 -8.399 1.00 0.82 C ATOM 732 C ASN A 48 1.597 8.765 -9.545 1.00 0.84 C ATOM 733 O ASN A 48 2.730 8.409 -9.882 1.00 0.95 O ATOM 734 CB ASN A 48 2.535 10.855 -8.471 1.00 0.99 C ATOM 735 CG ASN A 48 2.412 11.652 -9.766 1.00 2.05 C ATOM 736 OD1 ASN A 48 1.306 11.916 -10.233 1.00 3.30 O ATOM 737 ND2 ASN A 48 3.533 12.057 -10.352 1.00 2.36 N ATOM 0 H ASN A 48 2.426 8.643 -6.944 1.00 0.68 H new ATOM 0 HA ASN A 48 0.478 10.251 -8.500 1.00 0.82 H new ATOM 0 HB2 ASN A 48 2.445 11.525 -7.616 1.00 0.99 H new ATOM 0 HB3 ASN A 48 3.521 10.395 -8.413 1.00 0.99 H new ATOM 0 HD21 ASN A 48 3.490 12.602 -11.213 1.00 2.36 H new ATOM 0 HD22 ASN A 48 4.437 11.823 -9.941 1.00 2.36 H new ATOM 744 N PRO A 49 0.493 8.293 -10.154 1.00 0.91 N ATOM 745 CA PRO A 49 0.531 7.317 -11.236 1.00 0.99 C ATOM 746 C PRO A 49 1.047 7.939 -12.536 1.00 1.31 C ATOM 747 O PRO A 49 0.310 8.133 -13.498 1.00 1.87 O ATOM 748 CB PRO A 49 -0.893 6.776 -11.363 1.00 1.06 C ATOM 749 CG PRO A 49 -1.761 7.920 -10.848 1.00 1.30 C ATOM 750 CD PRO A 49 -0.886 8.586 -9.785 1.00 1.14 C ATOM 0 HA PRO A 49 1.228 6.506 -11.023 1.00 0.99 H new ATOM 0 HB2 PRO A 49 -1.135 6.523 -12.395 1.00 1.06 H new ATOM 0 HB3 PRO A 49 -1.032 5.871 -10.772 1.00 1.06 H new ATOM 0 HG2 PRO A 49 -2.022 8.616 -11.646 1.00 1.30 H new ATOM 0 HG3 PRO A 49 -2.697 7.554 -10.425 1.00 1.30 H new ATOM 0 HD2 PRO A 49 -1.061 9.661 -9.754 1.00 1.14 H new ATOM 0 HD3 PRO A 49 -1.115 8.197 -8.793 1.00 1.14 H new ATOM 758 N ALA A 50 2.348 8.210 -12.554 1.00 1.16 N ATOM 759 CA ALA A 50 3.123 8.592 -13.719 1.00 1.37 C ATOM 760 C ALA A 50 4.519 8.022 -13.502 1.00 1.35 C ATOM 761 O ALA A 50 4.990 7.193 -14.275 1.00 1.49 O ATOM 762 CB ALA A 50 3.136 10.116 -13.867 1.00 1.53 C ATOM 0 H ALA A 50 2.916 8.165 -11.708 1.00 1.16 H new ATOM 0 HA ALA A 50 2.698 8.202 -14.644 1.00 1.37 H new ATOM 0 HB1 ALA A 50 3.721 10.391 -14.745 1.00 1.53 H new ATOM 0 HB2 ALA A 50 2.115 10.479 -13.983 1.00 1.53 H new ATOM 0 HB3 ALA A 50 3.582 10.564 -12.979 1.00 1.53 H new ATOM 768 N VAL A 51 5.139 8.400 -12.382 1.00 1.25 N ATOM 769 CA VAL A 51 6.400 7.860 -11.933 1.00 1.26 C ATOM 770 C VAL A 51 6.284 6.340 -11.775 1.00 1.20 C ATOM 771 O VAL A 51 7.087 5.594 -12.326 1.00 1.34 O ATOM 772 CB VAL A 51 6.745 8.535 -10.595 1.00 1.21 C ATOM 773 CG1 VAL A 51 8.115 8.062 -10.124 1.00 1.38 C ATOM 774 CG2 VAL A 51 6.791 10.067 -10.696 1.00 1.42 C ATOM 0 H VAL A 51 4.759 9.109 -11.755 1.00 1.25 H new ATOM 0 HA VAL A 51 7.192 8.055 -12.656 1.00 1.26 H new ATOM 0 HB VAL A 51 5.957 8.258 -9.894 1.00 1.21 H new ATOM 0 HG11 VAL A 51 8.359 8.541 -9.176 1.00 1.38 H new ATOM 0 HG12 VAL A 51 8.101 6.980 -9.991 1.00 1.38 H new ATOM 0 HG13 VAL A 51 8.867 8.326 -10.868 1.00 1.38 H new ATOM 0 HG21 VAL A 51 7.039 10.489 -9.722 1.00 1.42 H new ATOM 0 HG22 VAL A 51 7.549 10.361 -11.422 1.00 1.42 H new ATOM 0 HG23 VAL A 51 5.818 10.440 -11.016 1.00 1.42 H new ATOM 784 N ILE A 52 5.298 5.901 -10.986 1.00 1.07 N ATOM 785 CA ILE A 52 5.255 4.538 -10.474 1.00 1.07 C ATOM 786 C ILE A 52 4.421 3.604 -11.352 1.00 1.08 C ATOM 787 O ILE A 52 4.995 2.812 -12.085 1.00 1.49 O ATOM 788 CB ILE A 52 4.928 4.559 -8.980 1.00 1.10 C ATOM 789 CG1 ILE A 52 5.088 3.175 -8.355 1.00 1.18 C ATOM 790 CG2 ILE A 52 3.561 5.138 -8.584 1.00 1.10 C ATOM 791 CD1 ILE A 52 6.529 2.658 -8.299 1.00 2.08 C ATOM 0 H ILE A 52 4.514 6.481 -10.689 1.00 1.07 H new ATOM 0 HA ILE A 52 6.242 4.080 -10.543 1.00 1.07 H new ATOM 0 HB ILE A 52 5.663 5.258 -8.581 1.00 1.10 H new ATOM 0 HG12 ILE A 52 4.686 3.201 -7.342 1.00 1.18 H new ATOM 0 HG13 ILE A 52 4.484 2.465 -8.919 1.00 1.18 H new ATOM 0 HG21 ILE A 52 3.449 5.097 -7.501 1.00 1.10 H new ATOM 0 HG22 ILE A 52 3.494 6.174 -8.917 1.00 1.10 H new ATOM 0 HG23 ILE A 52 2.769 4.554 -9.053 1.00 1.10 H new ATOM 0 HD11 ILE A 52 6.543 1.670 -7.840 1.00 2.08 H new ATOM 0 HD12 ILE A 52 6.932 2.594 -9.310 1.00 2.08 H new ATOM 0 HD13 ILE A 52 7.138 3.342 -7.708 1.00 2.08 H new ATOM 803 N GLN A 53 3.088 3.718 -11.285 1.00 0.95 N ATOM 804 CA GLN A 53 2.042 2.928 -11.946 1.00 0.96 C ATOM 805 C GLN A 53 1.357 2.058 -10.886 1.00 0.76 C ATOM 806 O GLN A 53 2.048 1.440 -10.083 1.00 0.67 O ATOM 807 CB GLN A 53 2.473 2.031 -13.130 1.00 1.17 C ATOM 808 CG GLN A 53 2.586 2.689 -14.512 1.00 1.28 C ATOM 809 CD GLN A 53 3.716 3.693 -14.607 1.00 1.49 C ATOM 810 OE1 GLN A 53 4.715 3.463 -15.278 1.00 2.36 O ATOM 811 NE2 GLN A 53 3.542 4.825 -13.942 1.00 2.17 N ATOM 0 H GLN A 53 2.672 4.445 -10.703 1.00 0.95 H new ATOM 0 HA GLN A 53 1.382 3.666 -12.402 1.00 0.96 H new ATOM 0 HB2 GLN A 53 3.441 1.593 -12.886 1.00 1.17 H new ATOM 0 HB3 GLN A 53 1.761 1.209 -13.206 1.00 1.17 H new ATOM 0 HG2 GLN A 53 2.733 1.914 -15.265 1.00 1.28 H new ATOM 0 HG3 GLN A 53 1.646 3.187 -14.747 1.00 1.28 H new ATOM 0 HE21 GLN A 53 2.693 4.971 -13.397 1.00 2.17 H new ATOM 0 HE22 GLN A 53 4.257 5.551 -13.975 1.00 2.17 H new ATOM 820 N PRO A 54 0.020 1.972 -10.881 1.00 0.86 N ATOM 821 CA PRO A 54 -0.748 1.044 -10.058 1.00 0.88 C ATOM 822 C PRO A 54 -0.198 -0.391 -10.020 1.00 0.79 C ATOM 823 O PRO A 54 0.010 -0.900 -8.923 1.00 0.86 O ATOM 824 CB PRO A 54 -2.197 1.149 -10.542 1.00 1.16 C ATOM 825 CG PRO A 54 -2.235 2.612 -10.971 1.00 1.31 C ATOM 826 CD PRO A 54 -0.884 2.818 -11.634 1.00 1.11 C ATOM 0 HA PRO A 54 -0.672 1.325 -9.008 1.00 0.88 H new ATOM 0 HB2 PRO A 54 -2.410 0.469 -11.366 1.00 1.16 H new ATOM 0 HB3 PRO A 54 -2.916 0.929 -9.753 1.00 1.16 H new ATOM 0 HG2 PRO A 54 -3.056 2.807 -11.661 1.00 1.31 H new ATOM 0 HG3 PRO A 54 -2.370 3.278 -10.119 1.00 1.31 H new ATOM 0 HD2 PRO A 54 -0.910 2.534 -12.686 1.00 1.11 H new ATOM 0 HD3 PRO A 54 -0.577 3.863 -11.593 1.00 1.11 H new ATOM 834 N PRO A 55 0.086 -1.062 -11.153 1.00 0.79 N ATOM 835 CA PRO A 55 0.854 -2.289 -11.132 1.00 0.92 C ATOM 836 C PRO A 55 2.100 -2.137 -10.266 1.00 0.92 C ATOM 837 O PRO A 55 2.274 -2.899 -9.320 1.00 1.10 O ATOM 838 CB PRO A 55 1.214 -2.606 -12.582 1.00 1.00 C ATOM 839 CG PRO A 55 0.722 -1.451 -13.420 1.00 0.77 C ATOM 840 CD PRO A 55 -0.262 -0.732 -12.520 1.00 0.86 C ATOM 0 HA PRO A 55 0.278 -3.105 -10.695 1.00 0.92 H new ATOM 0 HB2 PRO A 55 2.291 -2.732 -12.693 1.00 1.00 H new ATOM 0 HB3 PRO A 55 0.749 -3.539 -12.900 1.00 1.00 H new ATOM 0 HG2 PRO A 55 1.542 -0.797 -13.717 1.00 0.77 H new ATOM 0 HG3 PRO A 55 0.244 -1.799 -14.336 1.00 0.77 H new ATOM 0 HD2 PRO A 55 -0.213 0.345 -12.680 1.00 0.86 H new ATOM 0 HD3 PRO A 55 -1.283 -1.041 -12.742 1.00 0.86 H new ATOM 848 N MET A 56 2.960 -1.148 -10.550 1.00 0.84 N ATOM 849 CA MET A 56 4.159 -1.027 -9.731 1.00 0.99 C ATOM 850 C MET A 56 3.852 -0.806 -8.237 1.00 0.94 C ATOM 851 O MET A 56 4.557 -1.375 -7.405 1.00 1.20 O ATOM 852 CB MET A 56 5.147 -0.017 -10.317 1.00 1.10 C ATOM 853 CG MET A 56 5.730 -0.518 -11.646 1.00 1.30 C ATOM 854 SD MET A 56 7.159 0.413 -12.256 1.00 1.50 S ATOM 855 CE MET A 56 7.536 -0.537 -13.745 1.00 1.91 C ATOM 0 H MET A 56 2.854 -0.461 -11.296 1.00 0.84 H new ATOM 0 HA MET A 56 4.663 -1.993 -9.763 1.00 0.99 H new ATOM 0 HB2 MET A 56 4.645 0.938 -10.474 1.00 1.10 H new ATOM 0 HB3 MET A 56 5.954 0.160 -9.606 1.00 1.10 H new ATOM 0 HG2 MET A 56 6.020 -1.562 -11.527 1.00 1.30 H new ATOM 0 HG3 MET A 56 4.946 -0.489 -12.403 1.00 1.30 H new ATOM 0 HE1 MET A 56 8.397 -0.098 -14.248 1.00 1.91 H new ATOM 0 HE2 MET A 56 7.762 -1.568 -13.472 1.00 1.91 H new ATOM 0 HE3 MET A 56 6.676 -0.520 -14.415 1.00 1.91 H new ATOM 865 N ILE A 57 2.803 -0.057 -7.856 1.00 0.71 N ATOM 866 CA ILE A 57 2.453 0.027 -6.439 1.00 0.73 C ATOM 867 C ILE A 57 2.071 -1.353 -5.895 1.00 0.75 C ATOM 868 O ILE A 57 2.550 -1.760 -4.837 1.00 0.92 O ATOM 869 CB ILE A 57 1.418 1.125 -6.098 1.00 0.89 C ATOM 870 CG1 ILE A 57 -0.062 0.702 -6.019 1.00 2.48 C ATOM 871 CG2 ILE A 57 1.618 2.395 -6.926 1.00 1.72 C ATOM 872 CD1 ILE A 57 -0.981 1.859 -5.615 1.00 2.94 C ATOM 0 H ILE A 57 2.206 0.478 -8.487 1.00 0.71 H new ATOM 0 HA ILE A 57 3.352 0.356 -5.918 1.00 0.73 H new ATOM 0 HB ILE A 57 1.653 1.350 -5.058 1.00 0.89 H new ATOM 0 HG12 ILE A 57 -0.378 0.312 -6.987 1.00 2.48 H new ATOM 0 HG13 ILE A 57 -0.167 -0.110 -5.299 1.00 2.48 H new ATOM 0 HG21 ILE A 57 0.866 3.133 -6.647 1.00 1.72 H new ATOM 0 HG22 ILE A 57 2.612 2.800 -6.736 1.00 1.72 H new ATOM 0 HG23 ILE A 57 1.519 2.158 -7.985 1.00 1.72 H new ATOM 0 HD11 ILE A 57 -2.012 1.508 -5.574 1.00 2.94 H new ATOM 0 HD12 ILE A 57 -0.686 2.233 -4.635 1.00 2.94 H new ATOM 0 HD13 ILE A 57 -0.900 2.661 -6.348 1.00 2.94 H new ATOM 884 N ALA A 58 1.222 -2.081 -6.629 1.00 0.81 N ATOM 885 CA ALA A 58 0.792 -3.420 -6.249 1.00 1.05 C ATOM 886 C ALA A 58 2.007 -4.303 -5.989 1.00 1.18 C ATOM 887 O ALA A 58 2.150 -4.892 -4.916 1.00 1.36 O ATOM 888 CB ALA A 58 -0.132 -4.018 -7.315 1.00 1.38 C ATOM 0 H ALA A 58 0.816 -1.752 -7.505 1.00 0.81 H new ATOM 0 HA ALA A 58 0.217 -3.361 -5.325 1.00 1.05 H new ATOM 0 HB1 ALA A 58 -0.440 -5.018 -7.010 1.00 1.38 H new ATOM 0 HB2 ALA A 58 -1.013 -3.386 -7.429 1.00 1.38 H new ATOM 0 HB3 ALA A 58 0.399 -4.076 -8.265 1.00 1.38 H new ATOM 894 N GLU A 59 2.922 -4.345 -6.953 1.00 1.28 N ATOM 895 CA GLU A 59 4.149 -5.063 -6.842 1.00 1.64 C ATOM 896 C GLU A 59 4.951 -4.607 -5.627 1.00 1.63 C ATOM 897 O GLU A 59 5.373 -5.450 -4.846 1.00 1.90 O ATOM 898 CB GLU A 59 4.910 -4.855 -8.141 1.00 1.85 C ATOM 899 CG GLU A 59 4.298 -5.520 -9.392 1.00 2.15 C ATOM 900 CD GLU A 59 3.636 -6.862 -9.122 1.00 2.11 C ATOM 901 OE1 GLU A 59 2.454 -6.857 -8.705 1.00 2.45 O ATOM 902 OE2 GLU A 59 4.306 -7.909 -9.284 1.00 3.26 O ATOM 0 H GLU A 59 2.811 -3.864 -7.846 1.00 1.28 H new ATOM 0 HA GLU A 59 3.961 -6.126 -6.688 1.00 1.64 H new ATOM 0 HB2 GLU A 59 4.991 -3.784 -8.325 1.00 1.85 H new ATOM 0 HB3 GLU A 59 5.924 -5.234 -8.011 1.00 1.85 H new ATOM 0 HG2 GLU A 59 3.561 -4.844 -9.825 1.00 2.15 H new ATOM 0 HG3 GLU A 59 5.082 -5.657 -10.137 1.00 2.15 H new ATOM 909 N PHE A 60 5.148 -3.301 -5.426 1.00 1.49 N ATOM 910 CA PHE A 60 5.875 -2.797 -4.269 1.00 1.72 C ATOM 911 C PHE A 60 5.285 -3.337 -2.958 1.00 1.65 C ATOM 912 O PHE A 60 6.021 -3.574 -2.000 1.00 2.10 O ATOM 913 CB PHE A 60 5.906 -1.262 -4.273 1.00 1.77 C ATOM 914 CG PHE A 60 7.008 -0.591 -5.083 1.00 2.20 C ATOM 915 CD1 PHE A 60 7.590 -1.226 -6.199 1.00 2.16 C ATOM 916 CD2 PHE A 60 7.433 0.705 -4.729 1.00 3.66 C ATOM 917 CE1 PHE A 60 8.599 -0.582 -6.936 1.00 2.80 C ATOM 918 CE2 PHE A 60 8.428 1.357 -5.477 1.00 4.18 C ATOM 919 CZ PHE A 60 9.022 0.707 -6.573 1.00 3.46 C ATOM 0 H PHE A 60 4.810 -2.574 -6.056 1.00 1.49 H new ATOM 0 HA PHE A 60 6.902 -3.156 -4.336 1.00 1.72 H new ATOM 0 HB2 PHE A 60 4.946 -0.906 -4.647 1.00 1.77 H new ATOM 0 HB3 PHE A 60 5.991 -0.923 -3.241 1.00 1.77 H new ATOM 0 HD1 PHE A 60 7.259 -2.212 -6.489 1.00 2.16 H new ATOM 0 HD2 PHE A 60 6.991 1.200 -3.877 1.00 3.66 H new ATOM 0 HE1 PHE A 60 9.049 -1.079 -7.782 1.00 2.80 H new ATOM 0 HE2 PHE A 60 8.736 2.357 -5.210 1.00 4.18 H new ATOM 0 HZ PHE A 60 9.803 1.198 -7.135 1.00 3.46 H new ATOM 929 N ILE A 61 3.971 -3.540 -2.892 1.00 1.17 N ATOM 930 CA ILE A 61 3.383 -4.180 -1.725 1.00 1.01 C ATOM 931 C ILE A 61 3.768 -5.662 -1.713 1.00 1.21 C ATOM 932 O ILE A 61 4.250 -6.184 -0.709 1.00 1.40 O ATOM 933 CB ILE A 61 1.863 -3.973 -1.692 1.00 0.74 C ATOM 934 CG1 ILE A 61 1.508 -2.480 -1.713 1.00 0.84 C ATOM 935 CG2 ILE A 61 1.307 -4.597 -0.411 1.00 0.75 C ATOM 936 CD1 ILE A 61 0.073 -2.252 -2.175 1.00 1.29 C ATOM 0 H ILE A 61 3.307 -3.275 -3.619 1.00 1.17 H new ATOM 0 HA ILE A 61 3.776 -3.719 -0.819 1.00 1.01 H new ATOM 0 HB ILE A 61 1.428 -4.445 -2.573 1.00 0.74 H new ATOM 0 HG12 ILE A 61 1.641 -2.059 -0.716 1.00 0.84 H new ATOM 0 HG13 ILE A 61 2.193 -1.952 -2.376 1.00 0.84 H new ATOM 0 HG21 ILE A 61 0.227 -4.456 -0.377 1.00 0.75 H new ATOM 0 HG22 ILE A 61 1.534 -5.663 -0.397 1.00 0.75 H new ATOM 0 HG23 ILE A 61 1.763 -4.117 0.455 1.00 0.75 H new ATOM 0 HD11 ILE A 61 -0.143 -1.184 -2.177 1.00 1.29 H new ATOM 0 HD12 ILE A 61 -0.053 -2.650 -3.182 1.00 1.29 H new ATOM 0 HD13 ILE A 61 -0.613 -2.759 -1.496 1.00 1.29 H new ATOM 948 N ARG A 62 3.541 -6.349 -2.833 1.00 1.24 N ATOM 949 CA ARG A 62 3.742 -7.787 -2.939 1.00 1.42 C ATOM 950 C ARG A 62 5.203 -8.217 -2.752 1.00 1.58 C ATOM 951 O ARG A 62 5.429 -9.341 -2.311 1.00 1.56 O ATOM 952 CB ARG A 62 3.168 -8.297 -4.265 1.00 1.48 C ATOM 953 CG ARG A 62 1.636 -8.186 -4.272 1.00 1.14 C ATOM 954 CD ARG A 62 1.043 -8.557 -5.635 1.00 1.31 C ATOM 955 NE ARG A 62 1.462 -9.913 -6.041 1.00 2.70 N ATOM 956 CZ ARG A 62 2.303 -10.209 -7.049 1.00 3.80 C ATOM 957 NH1 ARG A 62 2.591 -9.307 -7.979 1.00 3.37 N ATOM 958 NH2 ARG A 62 2.864 -11.421 -7.118 1.00 5.78 N ATOM 0 H ARG A 62 3.210 -5.917 -3.696 1.00 1.24 H new ATOM 0 HA ARG A 62 3.201 -8.248 -2.113 1.00 1.42 H new ATOM 0 HB2 ARG A 62 3.583 -7.721 -5.092 1.00 1.48 H new ATOM 0 HB3 ARG A 62 3.463 -9.335 -4.420 1.00 1.48 H new ATOM 0 HG2 ARG A 62 1.221 -8.840 -3.505 1.00 1.14 H new ATOM 0 HG3 ARG A 62 1.345 -7.168 -4.014 1.00 1.14 H new ATOM 0 HD2 ARG A 62 -0.045 -8.507 -5.588 1.00 1.31 H new ATOM 0 HD3 ARG A 62 1.364 -7.833 -6.385 1.00 1.31 H new ATOM 0 HE ARG A 62 1.080 -10.696 -5.510 1.00 2.70 H new ATOM 0 HH11 ARG A 62 2.173 -8.377 -7.935 1.00 3.37 H new ATOM 0 HH12 ARG A 62 3.230 -9.543 -8.738 1.00 3.37 H new ATOM 0 HH21 ARG A 62 2.654 -12.121 -6.407 1.00 5.78 H new ATOM 0 HH22 ARG A 62 3.501 -11.645 -7.882 1.00 5.78 H new ATOM 972 N GLU A 63 6.185 -7.362 -3.073 1.00 1.86 N ATOM 973 CA GLU A 63 7.602 -7.620 -2.905 1.00 2.10 C ATOM 974 C GLU A 63 7.893 -8.216 -1.526 1.00 1.61 C ATOM 975 O GLU A 63 8.546 -9.251 -1.409 1.00 1.60 O ATOM 976 CB GLU A 63 8.366 -6.297 -3.058 1.00 2.68 C ATOM 977 CG GLU A 63 8.729 -5.920 -4.492 1.00 3.41 C ATOM 978 CD GLU A 63 9.791 -4.823 -4.534 1.00 4.29 C ATOM 979 OE1 GLU A 63 9.411 -3.636 -4.391 1.00 4.85 O ATOM 980 OE2 GLU A 63 10.981 -5.184 -4.619 1.00 4.97 O ATOM 0 H GLU A 63 5.996 -6.442 -3.470 1.00 1.86 H new ATOM 0 HA GLU A 63 7.921 -8.337 -3.661 1.00 2.10 H new ATOM 0 HB2 GLU A 63 7.763 -5.496 -2.630 1.00 2.68 H new ATOM 0 HB3 GLU A 63 9.283 -6.355 -2.471 1.00 2.68 H new ATOM 0 HG2 GLU A 63 9.095 -6.801 -5.019 1.00 3.41 H new ATOM 0 HG3 GLU A 63 7.836 -5.582 -5.017 1.00 3.41 H new ATOM 987 N LEU A 64 7.455 -7.506 -0.484 1.00 1.43 N ATOM 988 CA LEU A 64 7.852 -7.736 0.888 1.00 1.36 C ATOM 989 C LEU A 64 6.675 -7.831 1.855 1.00 1.61 C ATOM 990 O LEU A 64 6.843 -8.351 2.955 1.00 1.64 O ATOM 991 CB LEU A 64 8.843 -6.656 1.297 1.00 1.94 C ATOM 992 CG LEU A 64 8.592 -5.240 0.734 1.00 1.74 C ATOM 993 CD1 LEU A 64 7.177 -4.669 0.923 1.00 1.47 C ATOM 994 CD2 LEU A 64 9.549 -4.366 1.528 1.00 2.77 C ATOM 0 H LEU A 64 6.795 -6.735 -0.585 1.00 1.43 H new ATOM 0 HA LEU A 64 8.330 -8.714 0.944 1.00 1.36 H new ATOM 0 HB2 LEU A 64 8.850 -6.594 2.385 1.00 1.94 H new ATOM 0 HB3 LEU A 64 9.839 -6.973 0.990 1.00 1.94 H new ATOM 0 HG LEU A 64 8.729 -5.272 -0.347 1.00 1.74 H new ATOM 0 HD11 LEU A 64 7.126 -3.671 0.487 1.00 1.47 H new ATOM 0 HD12 LEU A 64 6.454 -5.318 0.430 1.00 1.47 H new ATOM 0 HD13 LEU A 64 6.947 -4.612 1.987 1.00 1.47 H new ATOM 0 HD21 LEU A 64 9.450 -3.330 1.203 1.00 2.77 H new ATOM 0 HD22 LEU A 64 9.312 -4.438 2.589 1.00 2.77 H new ATOM 0 HD23 LEU A 64 10.572 -4.702 1.361 1.00 2.77 H new ATOM 1006 N GLY A 65 5.505 -7.318 1.474 1.00 2.15 N ATOM 1007 CA GLY A 65 4.332 -7.336 2.320 1.00 2.92 C ATOM 1008 C GLY A 65 3.467 -8.531 1.946 1.00 2.01 C ATOM 1009 O GLY A 65 3.745 -9.661 2.342 1.00 2.20 O ATOM 0 H GLY A 65 5.353 -6.879 0.566 1.00 2.15 H new ATOM 0 HA2 GLY A 65 4.625 -7.397 3.368 1.00 2.92 H new ATOM 0 HA3 GLY A 65 3.768 -6.411 2.200 1.00 2.92 H new ATOM 1013 N PHE A 66 2.390 -8.264 1.209 1.00 1.49 N ATOM 1014 CA PHE A 66 1.211 -9.110 1.200 1.00 1.24 C ATOM 1015 C PHE A 66 0.514 -9.054 -0.146 1.00 1.29 C ATOM 1016 O PHE A 66 0.753 -8.174 -0.971 1.00 2.19 O ATOM 1017 CB PHE A 66 0.254 -8.627 2.299 1.00 1.65 C ATOM 1018 CG PHE A 66 0.865 -8.489 3.681 1.00 1.64 C ATOM 1019 CD1 PHE A 66 1.500 -9.592 4.282 1.00 2.42 C ATOM 1020 CD2 PHE A 66 0.914 -7.231 4.311 1.00 2.68 C ATOM 1021 CE1 PHE A 66 2.269 -9.414 5.445 1.00 2.71 C ATOM 1022 CE2 PHE A 66 1.624 -7.072 5.512 1.00 2.86 C ATOM 1023 CZ PHE A 66 2.316 -8.157 6.071 1.00 2.30 C ATOM 0 H PHE A 66 2.316 -7.449 0.600 1.00 1.49 H new ATOM 0 HA PHE A 66 1.510 -10.142 1.383 1.00 1.24 H new ATOM 0 HB2 PHE A 66 -0.154 -7.661 2.003 1.00 1.65 H new ATOM 0 HB3 PHE A 66 -0.584 -9.322 2.359 1.00 1.65 H new ATOM 0 HD1 PHE A 66 1.396 -10.576 3.849 1.00 2.42 H new ATOM 0 HD2 PHE A 66 0.405 -6.387 3.870 1.00 2.68 H new ATOM 0 HE1 PHE A 66 2.824 -10.244 5.858 1.00 2.71 H new ATOM 0 HE2 PHE A 66 1.637 -6.112 6.007 1.00 2.86 H new ATOM 0 HZ PHE A 66 2.884 -8.026 6.980 1.00 2.30 H new ATOM 1033 N GLY A 67 -0.394 -10.005 -0.337 1.00 0.91 N ATOM 1034 CA GLY A 67 -1.162 -10.167 -1.548 1.00 1.00 C ATOM 1035 C GLY A 67 -2.305 -9.173 -1.590 1.00 0.91 C ATOM 1036 O GLY A 67 -3.474 -9.521 -1.449 1.00 1.76 O ATOM 0 H GLY A 67 -0.616 -10.702 0.374 1.00 0.91 H new ATOM 0 HA2 GLY A 67 -0.518 -10.026 -2.416 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -1.554 -11.183 -1.604 1.00 1.00 H new ATOM 1040 N ALA A 68 -1.918 -7.920 -1.745 1.00 0.85 N ATOM 1041 CA ALA A 68 -2.827 -6.789 -1.745 1.00 0.86 C ATOM 1042 C ALA A 68 -3.450 -6.625 -3.128 1.00 0.77 C ATOM 1043 O ALA A 68 -2.772 -6.827 -4.135 1.00 1.02 O ATOM 1044 CB ALA A 68 -2.090 -5.522 -1.312 1.00 1.34 C ATOM 0 H ALA A 68 -0.942 -7.655 -1.877 1.00 0.85 H new ATOM 0 HA ALA A 68 -3.630 -6.969 -1.030 1.00 0.86 H new ATOM 0 HB1 ALA A 68 -2.782 -4.680 -1.316 1.00 1.34 H new ATOM 0 HB2 ALA A 68 -1.690 -5.659 -0.307 1.00 1.34 H new ATOM 0 HB3 ALA A 68 -1.272 -5.323 -2.004 1.00 1.34 H new ATOM 1050 N THR A 69 -4.735 -6.266 -3.180 1.00 0.64 N ATOM 1051 CA THR A 69 -5.478 -6.034 -4.390 1.00 0.69 C ATOM 1052 C THR A 69 -5.859 -4.551 -4.397 1.00 0.68 C ATOM 1053 O THR A 69 -6.200 -3.993 -3.353 1.00 0.72 O ATOM 1054 CB THR A 69 -6.676 -6.997 -4.414 1.00 0.81 C ATOM 1055 OG1 THR A 69 -7.355 -6.790 -5.618 1.00 2.17 O ATOM 1056 CG2 THR A 69 -7.699 -6.810 -3.297 1.00 2.04 C ATOM 0 H THR A 69 -5.295 -6.127 -2.339 1.00 0.64 H new ATOM 0 HA THR A 69 -4.911 -6.234 -5.299 1.00 0.69 H new ATOM 0 HB THR A 69 -6.257 -7.995 -4.287 1.00 0.81 H new ATOM 0 HG1 THR A 69 -8.127 -7.392 -5.666 1.00 2.17 H new ATOM 0 HG21 THR A 69 -8.500 -7.541 -3.411 1.00 2.04 H new ATOM 0 HG22 THR A 69 -7.213 -6.952 -2.331 1.00 2.04 H new ATOM 0 HG23 THR A 69 -8.115 -5.804 -3.350 1.00 2.04 H new ATOM 1064 N VAL A 70 -5.776 -3.911 -5.564 1.00 0.67 N ATOM 1065 CA VAL A 70 -5.940 -2.485 -5.745 1.00 0.72 C ATOM 1066 C VAL A 70 -7.433 -2.166 -5.852 1.00 0.82 C ATOM 1067 O VAL A 70 -8.126 -2.759 -6.674 1.00 0.84 O ATOM 1068 CB VAL A 70 -5.144 -2.117 -7.009 1.00 0.72 C ATOM 1069 CG1 VAL A 70 -5.544 -0.759 -7.567 1.00 1.40 C ATOM 1070 CG2 VAL A 70 -3.639 -2.116 -6.706 1.00 2.00 C ATOM 0 H VAL A 70 -5.585 -4.400 -6.438 1.00 0.67 H new ATOM 0 HA VAL A 70 -5.563 -1.897 -4.908 1.00 0.72 H new ATOM 0 HB VAL A 70 -5.375 -2.871 -7.761 1.00 0.72 H new ATOM 0 HG11 VAL A 70 -4.955 -0.544 -8.458 1.00 1.40 H new ATOM 0 HG12 VAL A 70 -6.603 -0.770 -7.826 1.00 1.40 H new ATOM 0 HG13 VAL A 70 -5.361 0.011 -6.817 1.00 1.40 H new ATOM 0 HG21 VAL A 70 -3.086 -1.854 -7.608 1.00 2.00 H new ATOM 0 HG22 VAL A 70 -3.426 -1.386 -5.925 1.00 2.00 H new ATOM 0 HG23 VAL A 70 -3.335 -3.107 -6.369 1.00 2.00 H new ATOM 1080 N ILE A 71 -7.925 -1.245 -5.015 1.00 0.98 N ATOM 1081 CA ILE A 71 -9.325 -0.843 -4.934 1.00 1.15 C ATOM 1082 C ILE A 71 -9.394 0.690 -4.975 1.00 1.29 C ATOM 1083 O ILE A 71 -9.926 1.332 -4.075 1.00 1.53 O ATOM 1084 CB ILE A 71 -9.965 -1.408 -3.645 1.00 1.31 C ATOM 1085 CG1 ILE A 71 -9.689 -2.904 -3.405 1.00 1.37 C ATOM 1086 CG2 ILE A 71 -11.487 -1.179 -3.593 1.00 1.82 C ATOM 1087 CD1 ILE A 71 -10.419 -3.835 -4.378 1.00 2.11 C ATOM 0 H ILE A 71 -7.333 -0.743 -4.353 1.00 0.98 H new ATOM 0 HA ILE A 71 -9.887 -1.244 -5.777 1.00 1.15 H new ATOM 0 HB ILE A 71 -9.477 -0.844 -2.850 1.00 1.31 H new ATOM 0 HG12 ILE A 71 -8.617 -3.082 -3.483 1.00 1.37 H new ATOM 0 HG13 ILE A 71 -9.981 -3.158 -2.386 1.00 1.37 H new ATOM 0 HG21 ILE A 71 -11.886 -1.595 -2.668 1.00 1.82 H new ATOM 0 HG22 ILE A 71 -11.696 -0.110 -3.630 1.00 1.82 H new ATOM 0 HG23 ILE A 71 -11.958 -1.670 -4.444 1.00 1.82 H new ATOM 0 HD11 ILE A 71 -10.173 -4.871 -4.144 1.00 2.11 H new ATOM 0 HD12 ILE A 71 -11.495 -3.687 -4.285 1.00 2.11 H new ATOM 0 HD13 ILE A 71 -10.109 -3.610 -5.399 1.00 2.11 H new ATOM 1099 N GLU A 72 -8.888 1.285 -6.054 1.00 1.75 N ATOM 1100 CA GLU A 72 -9.224 2.665 -6.402 1.00 1.84 C ATOM 1101 C GLU A 72 -10.658 2.687 -6.940 1.00 1.85 C ATOM 1102 O GLU A 72 -11.472 3.490 -6.494 1.00 2.70 O ATOM 1103 CB GLU A 72 -8.182 3.314 -7.332 1.00 2.36 C ATOM 1104 CG GLU A 72 -7.396 2.378 -8.264 1.00 3.16 C ATOM 1105 CD GLU A 72 -6.171 3.090 -8.828 1.00 4.12 C ATOM 1106 OE1 GLU A 72 -5.211 3.269 -8.042 1.00 4.81 O ATOM 1107 OE2 GLU A 72 -6.211 3.451 -10.020 1.00 4.73 O ATOM 0 H GLU A 72 -8.244 0.833 -6.703 1.00 1.75 H new ATOM 0 HA GLU A 72 -9.187 3.295 -5.513 1.00 1.84 H new ATOM 0 HB2 GLU A 72 -8.693 4.054 -7.948 1.00 2.36 H new ATOM 0 HB3 GLU A 72 -7.466 3.854 -6.713 1.00 2.36 H new ATOM 0 HG2 GLU A 72 -7.086 1.487 -7.717 1.00 3.16 H new ATOM 0 HG3 GLU A 72 -8.038 2.045 -9.080 1.00 3.16 H new