USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 SER OG : rot 180:sc= -0.288 USER MOD Single : A 21 LYS NZ :NH3+ -128:sc= -0.0526 (180deg=-0.195) USER MOD Single : A 23 SER OG : rot 180:sc= -0.136 USER MOD Single : A 26 SER OG : rot 180:sc= -0.565 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 98:sc= 1.19 USER MOD Single : A 41 THR OG1 : rot -31:sc= 0.493 USER MOD Single : A 43 ASN : amide:sc= 0.955 K(o=0.95,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.704 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 60:sc= 1.04 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 15:sc= 0.796 USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 19 -2.121 3.585 5.941 1.00 1.07 N ATOM 56 CA GLY A 19 -0.957 4.268 5.418 1.00 0.82 C ATOM 57 C GLY A 19 -1.097 4.514 3.928 1.00 0.70 C ATOM 58 O GLY A 19 -2.201 4.439 3.383 1.00 1.05 O ATOM 0 HA2 GLY A 19 -0.824 5.218 5.936 1.00 0.82 H new ATOM 0 HA3 GLY A 19 -0.064 3.673 5.610 1.00 0.82 H new ATOM 62 N SER A 20 -0.006 4.767 3.264 1.00 0.60 N ATOM 63 CA SER A 20 -0.052 5.054 1.846 1.00 0.70 C ATOM 64 C SER A 20 0.145 3.794 0.981 1.00 0.53 C ATOM 65 O SER A 20 1.070 3.008 1.218 1.00 0.89 O ATOM 66 CB SER A 20 0.990 6.133 1.504 1.00 1.22 C ATOM 67 OG SER A 20 2.289 5.752 1.961 1.00 1.81 O ATOM 0 H SER A 20 0.928 4.782 3.674 1.00 0.60 H new ATOM 0 HA SER A 20 -1.049 5.429 1.613 1.00 0.70 H new ATOM 0 HB2 SER A 20 1.012 6.294 0.426 1.00 1.22 H new ATOM 0 HB3 SER A 20 0.703 7.080 1.962 1.00 1.22 H new ATOM 0 HG SER A 20 2.935 6.452 1.731 1.00 1.81 H new ATOM 73 N LYS A 21 -0.739 3.606 0.002 1.00 0.67 N ATOM 74 CA LYS A 21 -0.635 2.513 -0.969 1.00 0.88 C ATOM 75 C LYS A 21 0.471 2.790 -1.972 1.00 0.70 C ATOM 76 O LYS A 21 0.380 3.719 -2.785 1.00 1.07 O ATOM 77 CB LYS A 21 -1.965 2.297 -1.707 1.00 1.67 C ATOM 78 CG LYS A 21 -3.033 1.521 -0.933 1.00 2.31 C ATOM 79 CD LYS A 21 -2.661 0.045 -0.816 1.00 3.10 C ATOM 80 CE LYS A 21 -3.775 -0.753 -0.148 1.00 3.78 C ATOM 81 NZ LYS A 21 -3.468 -2.188 -0.085 1.00 4.35 N ATOM 0 H LYS A 21 -1.550 4.208 -0.142 1.00 0.67 H new ATOM 0 HA LYS A 21 -0.395 1.604 -0.417 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -2.373 3.271 -1.976 1.00 1.67 H new ATOM 0 HB3 LYS A 21 -1.761 1.769 -2.638 1.00 1.67 H new ATOM 0 HG2 LYS A 21 -3.150 1.950 0.062 1.00 2.31 H new ATOM 0 HG3 LYS A 21 -3.995 1.618 -1.437 1.00 2.31 H new ATOM 0 HD2 LYS A 21 -2.462 -0.362 -1.807 1.00 3.10 H new ATOM 0 HD3 LYS A 21 -1.741 -0.056 -0.240 1.00 3.10 H new ATOM 0 HE2 LYS A 21 -3.937 -0.373 0.861 1.00 3.78 H new ATOM 0 HE3 LYS A 21 -4.705 -0.606 -0.697 1.00 3.78 H new ATOM 0 HZ1 LYS A 21 -4.262 -2.731 -0.482 1.00 4.35 H new ATOM 0 HZ2 LYS A 21 -2.606 -2.383 -0.634 1.00 4.35 H new ATOM 0 HZ3 LYS A 21 -3.318 -2.468 0.905 1.00 4.35 H new ATOM 95 N ILE A 22 1.509 1.998 -1.912 1.00 0.48 N ATOM 96 CA ILE A 22 2.647 2.139 -2.816 1.00 0.59 C ATOM 97 C ILE A 22 3.134 0.762 -3.207 1.00 0.43 C ATOM 98 O ILE A 22 2.780 -0.228 -2.563 1.00 0.51 O ATOM 99 CB ILE A 22 3.875 2.942 -2.198 1.00 1.12 C ATOM 100 CG1 ILE A 22 4.639 2.155 -1.089 1.00 1.51 C ATOM 101 CG2 ILE A 22 3.473 4.323 -1.711 1.00 1.77 C ATOM 102 CD1 ILE A 22 3.813 1.700 0.093 1.00 2.41 C ATOM 0 H ILE A 22 1.601 1.235 -1.241 1.00 0.48 H new ATOM 0 HA ILE A 22 2.289 2.713 -3.670 1.00 0.59 H new ATOM 0 HB ILE A 22 4.576 3.070 -3.023 1.00 1.12 H new ATOM 0 HG12 ILE A 22 5.098 1.278 -1.545 1.00 1.51 H new ATOM 0 HG13 ILE A 22 5.450 2.783 -0.720 1.00 1.51 H new ATOM 0 HG21 ILE A 22 4.344 4.831 -1.298 1.00 1.77 H new ATOM 0 HG22 ILE A 22 3.077 4.902 -2.545 1.00 1.77 H new ATOM 0 HG23 ILE A 22 2.709 4.229 -0.939 1.00 1.77 H new ATOM 0 HD11 ILE A 22 4.450 1.165 0.797 1.00 2.41 H new ATOM 0 HD12 ILE A 22 3.375 2.568 0.587 1.00 2.41 H new ATOM 0 HD13 ILE A 22 3.018 1.039 -0.252 1.00 2.41 H new ATOM 114 N SER A 23 3.928 0.718 -4.223 1.00 0.44 N ATOM 115 CA SER A 23 4.528 -0.490 -4.701 1.00 0.38 C ATOM 116 C SER A 23 6.032 -0.304 -4.679 1.00 0.34 C ATOM 117 O SER A 23 6.564 0.555 -5.378 1.00 0.52 O ATOM 118 CB SER A 23 4.029 -0.769 -6.129 1.00 0.53 C ATOM 119 OG SER A 23 4.659 -1.902 -6.702 1.00 1.33 O ATOM 0 H SER A 23 4.188 1.544 -4.762 1.00 0.44 H new ATOM 0 HA SER A 23 4.259 -1.340 -4.074 1.00 0.38 H new ATOM 0 HB2 SER A 23 2.950 -0.925 -6.112 1.00 0.53 H new ATOM 0 HB3 SER A 23 4.215 0.104 -6.755 1.00 0.53 H new ATOM 0 HG SER A 23 4.313 -2.045 -7.608 1.00 1.33 H new ATOM 125 N LEU A 24 6.709 -1.068 -3.874 1.00 0.34 N ATOM 126 CA LEU A 24 8.137 -0.938 -3.758 1.00 0.37 C ATOM 127 C LEU A 24 8.743 -2.296 -4.083 1.00 0.35 C ATOM 128 O LEU A 24 8.329 -3.323 -3.528 1.00 0.50 O ATOM 129 CB LEU A 24 8.503 -0.488 -2.312 1.00 0.56 C ATOM 130 CG LEU A 24 9.905 0.133 -2.059 1.00 0.77 C ATOM 131 CD1 LEU A 24 10.033 0.526 -0.600 1.00 1.20 C ATOM 132 CD2 LEU A 24 11.026 -0.805 -2.428 1.00 1.45 C ATOM 0 H LEU A 24 6.297 -1.791 -3.285 1.00 0.34 H new ATOM 0 HA LEU A 24 8.527 -0.187 -4.445 1.00 0.37 H new ATOM 0 HB2 LEU A 24 7.756 0.239 -1.993 1.00 0.56 H new ATOM 0 HB3 LEU A 24 8.403 -1.356 -1.660 1.00 0.56 H new ATOM 0 HG LEU A 24 9.990 1.012 -2.698 1.00 0.77 H new ATOM 0 HD11 LEU A 24 11.017 0.961 -0.425 1.00 1.20 H new ATOM 0 HD12 LEU A 24 9.264 1.257 -0.351 1.00 1.20 H new ATOM 0 HD13 LEU A 24 9.910 -0.357 0.027 1.00 1.20 H new ATOM 0 HD21 LEU A 24 11.984 -0.323 -2.232 1.00 1.45 H new ATOM 0 HD22 LEU A 24 10.950 -1.715 -1.833 1.00 1.45 H new ATOM 0 HD23 LEU A 24 10.956 -1.057 -3.486 1.00 1.45 H new ATOM 144 N ILE A 25 9.695 -2.313 -4.978 1.00 0.29 N ATOM 145 CA ILE A 25 10.324 -3.552 -5.360 1.00 0.28 C ATOM 146 C ILE A 25 11.640 -3.713 -4.625 1.00 0.25 C ATOM 147 O ILE A 25 12.526 -2.837 -4.708 1.00 0.29 O ATOM 148 CB ILE A 25 10.570 -3.654 -6.885 1.00 0.32 C ATOM 149 CG1 ILE A 25 9.268 -3.397 -7.660 1.00 0.39 C ATOM 150 CG2 ILE A 25 11.116 -5.049 -7.223 1.00 0.34 C ATOM 151 CD1 ILE A 25 9.434 -3.427 -9.169 1.00 0.72 C ATOM 0 H ILE A 25 10.052 -1.486 -5.456 1.00 0.29 H new ATOM 0 HA ILE A 25 9.637 -4.352 -5.086 1.00 0.28 H new ATOM 0 HB ILE A 25 11.299 -2.898 -7.177 1.00 0.32 H new ATOM 0 HG12 ILE A 25 8.531 -4.146 -7.370 1.00 0.39 H new ATOM 0 HG13 ILE A 25 8.868 -2.426 -7.368 1.00 0.39 H new ATOM 0 HG21 ILE A 25 11.289 -5.122 -8.297 1.00 0.34 H new ATOM 0 HG22 ILE A 25 12.054 -5.211 -6.692 1.00 0.34 H new ATOM 0 HG23 ILE A 25 10.393 -5.806 -6.920 1.00 0.34 H new ATOM 0 HD11 ILE A 25 8.472 -3.237 -9.645 1.00 0.72 H new ATOM 0 HD12 ILE A 25 10.146 -2.660 -9.472 1.00 0.72 H new ATOM 0 HD13 ILE A 25 9.803 -4.406 -9.475 1.00 0.72 H new ATOM 163 N SER A 26 11.757 -4.809 -3.901 1.00 0.27 N ATOM 164 CA SER A 26 12.960 -5.146 -3.161 1.00 0.31 C ATOM 165 C SER A 26 14.048 -5.663 -4.114 1.00 0.29 C ATOM 166 O SER A 26 13.744 -6.080 -5.246 1.00 0.28 O ATOM 167 CB SER A 26 12.628 -6.200 -2.100 1.00 0.45 C ATOM 168 OG SER A 26 12.033 -7.343 -2.695 1.00 1.34 O ATOM 0 H SER A 26 11.012 -5.499 -3.808 1.00 0.27 H new ATOM 0 HA SER A 26 13.340 -4.252 -2.667 1.00 0.31 H new ATOM 0 HB2 SER A 26 13.537 -6.490 -1.572 1.00 0.45 H new ATOM 0 HB3 SER A 26 11.951 -5.776 -1.359 1.00 0.45 H new ATOM 0 HG SER A 26 11.830 -8.005 -2.001 1.00 1.34 H new ATOM 174 N LYS A 27 15.307 -5.659 -3.633 1.00 0.35 N ATOM 175 CA LYS A 27 16.503 -6.058 -4.409 1.00 0.41 C ATOM 176 C LYS A 27 16.376 -7.441 -5.077 1.00 0.45 C ATOM 177 O LYS A 27 17.024 -7.711 -6.062 1.00 0.60 O ATOM 178 CB LYS A 27 17.787 -6.028 -3.532 1.00 0.53 C ATOM 179 CG LYS A 27 17.991 -7.195 -2.540 1.00 0.83 C ATOM 180 CD LYS A 27 16.903 -7.355 -1.476 1.00 0.74 C ATOM 181 CE LYS A 27 17.271 -8.520 -0.565 1.00 1.33 C ATOM 182 NZ LYS A 27 16.266 -8.799 0.482 1.00 2.12 N ATOM 0 H LYS A 27 15.527 -5.374 -2.679 1.00 0.35 H new ATOM 0 HA LYS A 27 16.582 -5.318 -5.205 1.00 0.41 H new ATOM 0 HB2 LYS A 27 18.650 -5.995 -4.197 1.00 0.53 H new ATOM 0 HB3 LYS A 27 17.787 -5.098 -2.964 1.00 0.53 H new ATOM 0 HG2 LYS A 27 18.059 -8.123 -3.107 1.00 0.83 H new ATOM 0 HG3 LYS A 27 18.948 -7.058 -2.037 1.00 0.83 H new ATOM 0 HD2 LYS A 27 16.806 -6.438 -0.895 1.00 0.74 H new ATOM 0 HD3 LYS A 27 15.938 -7.536 -1.948 1.00 0.74 H new ATOM 0 HE2 LYS A 27 17.407 -9.415 -1.172 1.00 1.33 H new ATOM 0 HE3 LYS A 27 18.229 -8.309 -0.089 1.00 1.33 H new ATOM 0 HZ1 LYS A 27 16.583 -9.602 1.062 1.00 2.12 H new ATOM 0 HZ2 LYS A 27 16.151 -7.960 1.086 1.00 2.12 H new ATOM 0 HZ3 LYS A 27 15.356 -9.032 0.036 1.00 2.12 H new ATOM 196 N ALA A 28 15.510 -8.281 -4.531 1.00 0.44 N ATOM 197 CA ALA A 28 15.313 -9.636 -5.017 1.00 0.52 C ATOM 198 C ALA A 28 14.216 -9.664 -6.067 1.00 0.41 C ATOM 199 O ALA A 28 13.625 -10.694 -6.317 1.00 0.48 O ATOM 200 CB ALA A 28 14.942 -10.546 -3.851 1.00 0.70 C ATOM 0 H ALA A 28 14.921 -8.039 -3.734 1.00 0.44 H new ATOM 0 HA ALA A 28 16.238 -9.990 -5.472 1.00 0.52 H new ATOM 0 HB1 ALA A 28 14.794 -11.563 -4.216 1.00 0.70 H new ATOM 0 HB2 ALA A 28 15.745 -10.538 -3.114 1.00 0.70 H new ATOM 0 HB3 ALA A 28 14.022 -10.189 -3.389 1.00 0.70 H new ATOM 206 N GLU A 29 13.981 -8.497 -6.686 1.00 0.34 N ATOM 207 CA GLU A 29 12.938 -8.278 -7.704 1.00 0.38 C ATOM 208 C GLU A 29 11.568 -8.778 -7.259 1.00 0.40 C ATOM 209 O GLU A 29 10.879 -9.545 -7.955 1.00 0.55 O ATOM 210 CB GLU A 29 13.339 -8.723 -9.136 1.00 0.58 C ATOM 211 CG GLU A 29 13.762 -10.172 -9.292 1.00 1.38 C ATOM 212 CD GLU A 29 14.088 -10.517 -10.714 1.00 1.79 C ATOM 213 OE1 GLU A 29 15.247 -10.310 -11.132 1.00 2.01 O ATOM 214 OE2 GLU A 29 13.179 -10.982 -11.428 1.00 2.59 O ATOM 0 H GLU A 29 14.524 -7.657 -6.488 1.00 0.34 H new ATOM 0 HA GLU A 29 12.842 -7.196 -7.789 1.00 0.38 H new ATOM 0 HB2 GLU A 29 12.495 -8.539 -9.801 1.00 0.58 H new ATOM 0 HB3 GLU A 29 14.158 -8.088 -9.476 1.00 0.58 H new ATOM 0 HG2 GLU A 29 14.632 -10.364 -8.665 1.00 1.38 H new ATOM 0 HG3 GLU A 29 12.963 -10.822 -8.936 1.00 1.38 H new ATOM 221 N ILE A 30 11.190 -8.350 -6.067 1.00 0.39 N ATOM 222 CA ILE A 30 9.905 -8.722 -5.514 1.00 0.52 C ATOM 223 C ILE A 30 9.057 -7.479 -5.267 1.00 0.55 C ATOM 224 O ILE A 30 9.445 -6.583 -4.480 1.00 0.59 O ATOM 225 CB ILE A 30 10.041 -9.547 -4.207 1.00 0.63 C ATOM 226 CG1 ILE A 30 10.897 -10.806 -4.460 1.00 0.70 C ATOM 227 CG2 ILE A 30 8.659 -9.953 -3.727 1.00 0.80 C ATOM 228 CD1 ILE A 30 11.128 -11.664 -3.226 1.00 1.17 C ATOM 0 H ILE A 30 11.754 -7.747 -5.468 1.00 0.39 H new ATOM 0 HA ILE A 30 9.411 -9.359 -6.248 1.00 0.52 H new ATOM 0 HB ILE A 30 10.530 -8.939 -3.446 1.00 0.63 H new ATOM 0 HG12 ILE A 30 10.412 -11.413 -5.225 1.00 0.70 H new ATOM 0 HG13 ILE A 30 11.863 -10.500 -4.861 1.00 0.70 H new ATOM 0 HG21 ILE A 30 8.749 -10.533 -2.809 1.00 0.80 H new ATOM 0 HG22 ILE A 30 8.064 -9.060 -3.536 1.00 0.80 H new ATOM 0 HG23 ILE A 30 8.171 -10.557 -4.492 1.00 0.80 H new ATOM 0 HD11 ILE A 30 11.738 -12.527 -3.492 1.00 1.17 H new ATOM 0 HD12 ILE A 30 11.642 -11.077 -2.466 1.00 1.17 H new ATOM 0 HD13 ILE A 30 10.169 -12.004 -2.835 1.00 1.17 H new ATOM 240 N ARG A 31 7.927 -7.420 -5.940 1.00 0.64 N ATOM 241 CA ARG A 31 7.013 -6.302 -5.843 1.00 0.75 C ATOM 242 C ARG A 31 6.128 -6.431 -4.602 1.00 0.55 C ATOM 243 O ARG A 31 5.266 -7.304 -4.534 1.00 0.76 O ATOM 244 CB ARG A 31 6.162 -6.212 -7.160 1.00 1.35 C ATOM 245 CG ARG A 31 5.167 -5.019 -7.314 1.00 2.13 C ATOM 246 CD ARG A 31 3.890 -5.112 -6.442 1.00 2.61 C ATOM 247 NE ARG A 31 3.073 -6.319 -6.742 1.00 3.25 N ATOM 248 CZ ARG A 31 1.707 -6.362 -6.743 1.00 3.86 C ATOM 249 NH1 ARG A 31 0.984 -5.255 -6.528 1.00 3.95 N ATOM 250 NH2 ARG A 31 1.076 -7.526 -6.955 1.00 4.71 N ATOM 0 H ARG A 31 7.614 -8.154 -6.576 1.00 0.64 H new ATOM 0 HA ARG A 31 7.579 -5.377 -5.734 1.00 0.75 H new ATOM 0 HB2 ARG A 31 6.854 -6.180 -8.002 1.00 1.35 H new ATOM 0 HB3 ARG A 31 5.591 -7.136 -7.252 1.00 1.35 H new ATOM 0 HG2 ARG A 31 5.690 -4.095 -7.067 1.00 2.13 H new ATOM 0 HG3 ARG A 31 4.869 -4.947 -8.360 1.00 2.13 H new ATOM 0 HD2 ARG A 31 4.174 -5.124 -5.390 1.00 2.61 H new ATOM 0 HD3 ARG A 31 3.283 -4.220 -6.598 1.00 2.61 H new ATOM 0 HE ARG A 31 3.571 -7.181 -6.964 1.00 3.25 H new ATOM 0 HH11 ARG A 31 1.452 -4.364 -6.361 1.00 3.95 H new ATOM 0 HH12 ARG A 31 -0.035 -5.303 -6.532 1.00 3.95 H new ATOM 0 HH21 ARG A 31 1.615 -8.377 -7.115 1.00 4.71 H new ATOM 0 HH22 ARG A 31 0.057 -7.561 -6.956 1.00 4.71 H new ATOM 264 N TYR A 32 6.369 -5.586 -3.631 1.00 0.47 N ATOM 265 CA TYR A 32 5.524 -5.509 -2.472 1.00 0.59 C ATOM 266 C TYR A 32 4.664 -4.270 -2.528 1.00 0.56 C ATOM 267 O TYR A 32 5.144 -3.183 -2.860 1.00 0.69 O ATOM 268 CB TYR A 32 6.316 -5.572 -1.167 1.00 0.84 C ATOM 269 CG TYR A 32 6.841 -6.955 -0.827 1.00 1.16 C ATOM 270 CD1 TYR A 32 5.963 -7.951 -0.418 1.00 1.70 C ATOM 271 CD2 TYR A 32 8.195 -7.267 -0.906 1.00 1.32 C ATOM 272 CE1 TYR A 32 6.407 -9.215 -0.100 1.00 2.32 C ATOM 273 CE2 TYR A 32 8.653 -8.542 -0.589 1.00 1.86 C ATOM 274 CZ TYR A 32 7.746 -9.510 -0.183 1.00 2.34 C ATOM 275 OH TYR A 32 8.183 -10.786 0.130 1.00 3.01 O ATOM 0 H TYR A 32 7.154 -4.935 -3.624 1.00 0.47 H new ATOM 0 HA TYR A 32 4.876 -6.385 -2.484 1.00 0.59 H new ATOM 0 HB2 TYR A 32 7.157 -4.881 -1.231 1.00 0.84 H new ATOM 0 HB3 TYR A 32 5.681 -5.226 -0.352 1.00 0.84 H new ATOM 0 HD1 TYR A 32 4.908 -7.729 -0.348 1.00 1.70 H new ATOM 0 HD2 TYR A 32 8.899 -6.510 -1.217 1.00 1.32 H new ATOM 0 HE1 TYR A 32 5.704 -9.973 0.214 1.00 2.32 H new ATOM 0 HE2 TYR A 32 9.705 -8.776 -0.658 1.00 1.86 H new ATOM 0 HH TYR A 32 9.156 -10.835 0.021 1.00 3.01 H new ATOM 285 N GLU A 33 3.397 -4.436 -2.239 1.00 0.53 N ATOM 286 CA GLU A 33 2.460 -3.356 -2.275 1.00 0.52 C ATOM 287 C GLU A 33 1.592 -3.413 -1.030 1.00 0.42 C ATOM 288 O GLU A 33 1.049 -4.473 -0.686 1.00 0.51 O ATOM 289 CB GLU A 33 1.593 -3.490 -3.506 1.00 0.74 C ATOM 290 CG GLU A 33 0.660 -2.331 -3.747 1.00 1.40 C ATOM 291 CD GLU A 33 -0.239 -2.594 -4.890 1.00 1.81 C ATOM 292 OE1 GLU A 33 0.242 -2.652 -6.030 1.00 2.45 O ATOM 293 OE2 GLU A 33 -1.435 -2.807 -4.651 1.00 2.23 O ATOM 0 H GLU A 33 2.991 -5.332 -1.971 1.00 0.53 H new ATOM 0 HA GLU A 33 2.989 -2.404 -2.308 1.00 0.52 H new ATOM 0 HB2 GLU A 33 2.238 -3.607 -4.377 1.00 0.74 H new ATOM 0 HB3 GLU A 33 1.003 -4.403 -3.421 1.00 0.74 H new ATOM 0 HG2 GLU A 33 0.068 -2.146 -2.851 1.00 1.40 H new ATOM 0 HG3 GLU A 33 1.240 -1.428 -3.938 1.00 1.40 H new ATOM 300 N GLY A 34 1.478 -2.312 -0.361 1.00 0.40 N ATOM 301 CA GLY A 34 0.707 -2.269 0.843 1.00 0.43 C ATOM 302 C GLY A 34 0.625 -0.882 1.355 1.00 0.36 C ATOM 303 O GLY A 34 0.705 0.061 0.569 1.00 0.45 O ATOM 0 H GLY A 34 1.909 -1.427 -0.627 1.00 0.40 H new ATOM 0 HA2 GLY A 34 -0.295 -2.653 0.654 1.00 0.43 H new ATOM 0 HA3 GLY A 34 1.160 -2.915 1.595 1.00 0.43 H new ATOM 307 N ILE A 35 0.482 -0.723 2.646 1.00 0.35 N ATOM 308 CA ILE A 35 0.409 0.581 3.201 1.00 0.39 C ATOM 309 C ILE A 35 1.632 0.925 4.027 1.00 0.40 C ATOM 310 O ILE A 35 1.851 0.380 5.096 1.00 0.61 O ATOM 311 CB ILE A 35 -0.919 0.912 3.964 1.00 0.49 C ATOM 312 CG1 ILE A 35 -1.334 -0.157 5.021 1.00 0.69 C ATOM 313 CG2 ILE A 35 -2.052 1.171 2.977 1.00 0.79 C ATOM 314 CD1 ILE A 35 -1.926 -1.443 4.456 1.00 0.93 C ATOM 0 H ILE A 35 0.415 -1.485 3.321 1.00 0.35 H new ATOM 0 HA ILE A 35 0.394 1.235 2.329 1.00 0.39 H new ATOM 0 HB ILE A 35 -0.717 1.819 4.534 1.00 0.49 H new ATOM 0 HG12 ILE A 35 -0.458 -0.412 5.617 1.00 0.69 H new ATOM 0 HG13 ILE A 35 -2.061 0.290 5.698 1.00 0.69 H new ATOM 0 HG21 ILE A 35 -2.966 1.399 3.525 1.00 0.79 H new ATOM 0 HG22 ILE A 35 -1.792 2.015 2.338 1.00 0.79 H new ATOM 0 HG23 ILE A 35 -2.209 0.285 2.362 1.00 0.79 H new ATOM 0 HD11 ILE A 35 -2.180 -2.117 5.274 1.00 0.93 H new ATOM 0 HD12 ILE A 35 -2.825 -1.210 3.886 1.00 0.93 H new ATOM 0 HD13 ILE A 35 -1.197 -1.923 3.803 1.00 0.93 H new ATOM 326 N LEU A 36 2.441 1.789 3.464 1.00 0.33 N ATOM 327 CA LEU A 36 3.657 2.306 4.095 1.00 0.40 C ATOM 328 C LEU A 36 3.346 2.992 5.409 1.00 0.41 C ATOM 329 O LEU A 36 2.360 3.745 5.518 1.00 0.44 O ATOM 330 CB LEU A 36 4.392 3.246 3.102 1.00 0.56 C ATOM 331 CG LEU A 36 5.764 3.827 3.502 1.00 0.78 C ATOM 332 CD1 LEU A 36 6.447 4.361 2.268 1.00 1.55 C ATOM 333 CD2 LEU A 36 5.610 4.968 4.502 1.00 1.72 C ATOM 0 H LEU A 36 2.279 2.169 2.531 1.00 0.33 H new ATOM 0 HA LEU A 36 4.320 1.474 4.334 1.00 0.40 H new ATOM 0 HB2 LEU A 36 4.525 2.700 2.168 1.00 0.56 H new ATOM 0 HB3 LEU A 36 3.729 4.084 2.889 1.00 0.56 H new ATOM 0 HG LEU A 36 6.352 3.033 3.963 1.00 0.78 H new ATOM 0 HD11 LEU A 36 7.418 4.774 2.540 1.00 1.55 H new ATOM 0 HD12 LEU A 36 6.585 3.553 1.550 1.00 1.55 H new ATOM 0 HD13 LEU A 36 5.832 5.143 1.821 1.00 1.55 H new ATOM 0 HD21 LEU A 36 6.594 5.357 4.765 1.00 1.72 H new ATOM 0 HD22 LEU A 36 5.012 5.764 4.057 1.00 1.72 H new ATOM 0 HD23 LEU A 36 5.114 4.600 5.400 1.00 1.72 H new ATOM 345 N TYR A 37 4.191 2.730 6.400 1.00 0.44 N ATOM 346 CA TYR A 37 4.032 3.280 7.714 1.00 0.50 C ATOM 347 C TYR A 37 4.943 4.504 7.943 1.00 0.52 C ATOM 348 O TYR A 37 4.459 5.605 8.219 1.00 0.64 O ATOM 349 CB TYR A 37 4.262 2.183 8.785 1.00 0.59 C ATOM 350 CG TYR A 37 4.204 2.677 10.217 1.00 0.68 C ATOM 351 CD1 TYR A 37 3.025 3.175 10.760 1.00 0.77 C ATOM 352 CD2 TYR A 37 5.333 2.629 11.029 1.00 0.78 C ATOM 353 CE1 TYR A 37 2.982 3.624 12.069 1.00 0.91 C ATOM 354 CE2 TYR A 37 5.297 3.074 12.336 1.00 0.91 C ATOM 355 CZ TYR A 37 4.128 3.569 12.852 1.00 0.95 C ATOM 356 OH TYR A 37 4.093 4.013 14.156 1.00 1.11 O ATOM 0 H TYR A 37 5.006 2.125 6.300 1.00 0.44 H new ATOM 0 HA TYR A 37 3.007 3.639 7.807 1.00 0.50 H new ATOM 0 HB2 TYR A 37 3.513 1.402 8.653 1.00 0.59 H new ATOM 0 HB3 TYR A 37 5.235 1.723 8.612 1.00 0.59 H new ATOM 0 HD1 TYR A 37 2.132 3.212 10.154 1.00 0.77 H new ATOM 0 HD2 TYR A 37 6.256 2.236 10.629 1.00 0.78 H new ATOM 0 HE1 TYR A 37 2.062 4.015 12.479 1.00 0.91 H new ATOM 0 HE2 TYR A 37 6.186 3.032 12.948 1.00 0.91 H new ATOM 0 HH TYR A 37 4.978 3.903 14.563 1.00 1.11 H new ATOM 366 N THR A 38 6.253 4.318 7.844 1.00 0.49 N ATOM 367 CA THR A 38 7.199 5.401 8.106 1.00 0.56 C ATOM 368 C THR A 38 8.494 5.185 7.285 1.00 0.56 C ATOM 369 O THR A 38 8.824 4.049 6.918 1.00 0.52 O ATOM 370 CB THR A 38 7.537 5.432 9.631 1.00 0.66 C ATOM 371 OG1 THR A 38 6.322 5.562 10.380 1.00 0.82 O ATOM 372 CG2 THR A 38 8.451 6.604 9.987 1.00 0.94 C ATOM 0 H THR A 38 6.686 3.431 7.585 1.00 0.49 H new ATOM 0 HA THR A 38 6.752 6.350 7.812 1.00 0.56 H new ATOM 0 HB THR A 38 8.053 4.504 9.875 1.00 0.66 H new ATOM 0 HG1 THR A 38 6.038 4.680 10.698 1.00 0.82 H new ATOM 0 HG21 THR A 38 8.662 6.589 11.056 1.00 0.94 H new ATOM 0 HG22 THR A 38 9.385 6.519 9.432 1.00 0.94 H new ATOM 0 HG23 THR A 38 7.959 7.541 9.727 1.00 0.94 H new ATOM 380 N ILE A 39 9.202 6.269 6.984 1.00 0.72 N ATOM 381 CA ILE A 39 10.449 6.182 6.255 1.00 0.79 C ATOM 382 C ILE A 39 11.539 6.759 7.132 1.00 1.01 C ATOM 383 O ILE A 39 11.388 7.854 7.679 1.00 1.31 O ATOM 384 CB ILE A 39 10.458 7.002 4.908 1.00 1.02 C ATOM 385 CG1 ILE A 39 9.236 6.717 4.017 1.00 1.15 C ATOM 386 CG2 ILE A 39 11.748 6.758 4.129 1.00 1.13 C ATOM 387 CD1 ILE A 39 7.976 7.462 4.434 1.00 1.45 C ATOM 0 H ILE A 39 8.927 7.218 7.237 1.00 0.72 H new ATOM 0 HA ILE A 39 10.597 5.132 6.005 1.00 0.79 H new ATOM 0 HB ILE A 39 10.403 8.053 5.194 1.00 1.02 H new ATOM 0 HG12 ILE A 39 9.479 6.984 2.989 1.00 1.15 H new ATOM 0 HG13 ILE A 39 9.033 5.646 4.029 1.00 1.15 H new ATOM 0 HG21 ILE A 39 11.729 7.335 3.204 1.00 1.13 H new ATOM 0 HG22 ILE A 39 12.601 7.067 4.732 1.00 1.13 H new ATOM 0 HG23 ILE A 39 11.836 5.697 3.893 1.00 1.13 H new ATOM 0 HD11 ILE A 39 7.161 7.207 3.756 1.00 1.45 H new ATOM 0 HD12 ILE A 39 7.705 7.178 5.451 1.00 1.45 H new ATOM 0 HD13 ILE A 39 8.158 8.536 4.394 1.00 1.45 H new ATOM 399 N ASP A 40 12.602 6.034 7.290 1.00 0.96 N ATOM 400 CA ASP A 40 13.748 6.526 8.020 1.00 1.24 C ATOM 401 C ASP A 40 14.634 7.264 7.052 1.00 1.25 C ATOM 402 O ASP A 40 15.298 6.656 6.228 1.00 1.13 O ATOM 403 CB ASP A 40 14.510 5.378 8.690 1.00 1.31 C ATOM 404 CG ASP A 40 15.790 5.829 9.371 1.00 2.02 C ATOM 405 OD1 ASP A 40 15.732 6.303 10.515 1.00 2.48 O ATOM 406 OD2 ASP A 40 16.873 5.703 8.749 1.00 2.56 O ATOM 0 H ASP A 40 12.708 5.089 6.922 1.00 0.96 H new ATOM 0 HA ASP A 40 13.421 7.196 8.815 1.00 1.24 H new ATOM 0 HB2 ASP A 40 13.863 4.901 9.426 1.00 1.31 H new ATOM 0 HB3 ASP A 40 14.751 4.624 7.941 1.00 1.31 H new ATOM 411 N THR A 41 14.616 8.567 7.136 1.00 1.54 N ATOM 412 CA THR A 41 15.337 9.418 6.207 1.00 1.72 C ATOM 413 C THR A 41 16.875 9.397 6.435 1.00 1.69 C ATOM 414 O THR A 41 17.624 9.966 5.637 1.00 1.85 O ATOM 415 CB THR A 41 14.786 10.882 6.253 1.00 2.15 C ATOM 416 OG1 THR A 41 15.445 11.710 5.278 1.00 2.76 O ATOM 417 CG2 THR A 41 14.971 11.490 7.647 1.00 2.54 C ATOM 0 H THR A 41 14.100 9.078 7.852 1.00 1.54 H new ATOM 0 HA THR A 41 15.166 9.008 5.211 1.00 1.72 H new ATOM 0 HB THR A 41 13.722 10.840 6.021 1.00 2.15 H new ATOM 0 HG1 THR A 41 16.362 11.391 5.144 1.00 2.76 H new ATOM 0 HG21 THR A 41 14.581 12.508 7.655 1.00 2.54 H new ATOM 0 HG22 THR A 41 14.433 10.889 8.380 1.00 2.54 H new ATOM 0 HG23 THR A 41 16.031 11.506 7.899 1.00 2.54 H new ATOM 425 N GLU A 42 17.333 8.735 7.487 1.00 1.61 N ATOM 426 CA GLU A 42 18.762 8.685 7.775 1.00 1.64 C ATOM 427 C GLU A 42 19.421 7.552 6.972 1.00 1.37 C ATOM 428 O GLU A 42 20.339 7.777 6.185 1.00 1.56 O ATOM 429 CB GLU A 42 18.998 8.476 9.278 1.00 1.77 C ATOM 430 CG GLU A 42 18.381 9.565 10.158 1.00 2.30 C ATOM 431 CD GLU A 42 18.953 10.939 9.877 1.00 2.79 C ATOM 432 OE1 GLU A 42 18.447 11.634 8.985 1.00 3.21 O ATOM 433 OE2 GLU A 42 19.930 11.340 10.552 1.00 3.22 O ATOM 0 H GLU A 42 16.745 8.230 8.150 1.00 1.61 H new ATOM 0 HA GLU A 42 19.211 9.634 7.482 1.00 1.64 H new ATOM 0 HB2 GLU A 42 18.586 7.510 9.570 1.00 1.77 H new ATOM 0 HB3 GLU A 42 20.071 8.435 9.465 1.00 1.77 H new ATOM 0 HG2 GLU A 42 17.303 9.586 10.000 1.00 2.30 H new ATOM 0 HG3 GLU A 42 18.545 9.315 11.206 1.00 2.30 H new ATOM 440 N ASN A 43 18.909 6.348 7.152 1.00 1.11 N ATOM 441 CA ASN A 43 19.418 5.154 6.462 1.00 1.14 C ATOM 442 C ASN A 43 18.696 4.962 5.149 1.00 1.21 C ATOM 443 O ASN A 43 19.082 4.125 4.350 1.00 1.44 O ATOM 444 CB ASN A 43 19.194 3.897 7.319 1.00 1.24 C ATOM 445 CG ASN A 43 19.897 3.898 8.671 1.00 1.60 C ATOM 446 OD1 ASN A 43 21.031 3.420 8.799 1.00 2.01 O ATOM 447 ND2 ASN A 43 19.233 4.418 9.683 1.00 2.26 N ATOM 0 H ASN A 43 18.127 6.160 7.779 1.00 1.11 H new ATOM 0 HA ASN A 43 20.484 5.299 6.289 1.00 1.14 H new ATOM 0 HB2 ASN A 43 18.123 3.776 7.485 1.00 1.24 H new ATOM 0 HB3 ASN A 43 19.529 3.027 6.754 1.00 1.24 H new ATOM 0 HD21 ASN A 43 19.652 4.436 10.613 1.00 2.26 H new ATOM 0 HD22 ASN A 43 18.300 4.802 9.537 1.00 2.26 H new ATOM 454 N SER A 44 17.626 5.755 4.956 1.00 1.16 N ATOM 455 CA SER A 44 16.751 5.693 3.774 1.00 1.40 C ATOM 456 C SER A 44 15.929 4.403 3.808 1.00 1.17 C ATOM 457 O SER A 44 15.390 3.958 2.794 1.00 1.36 O ATOM 458 CB SER A 44 17.569 5.805 2.471 1.00 1.82 C ATOM 459 OG SER A 44 18.353 6.993 2.478 1.00 2.28 O ATOM 0 H SER A 44 17.342 6.468 5.628 1.00 1.16 H new ATOM 0 HA SER A 44 16.067 6.541 3.797 1.00 1.40 H new ATOM 0 HB2 SER A 44 18.217 4.935 2.365 1.00 1.82 H new ATOM 0 HB3 SER A 44 16.898 5.810 1.612 1.00 1.82 H new ATOM 0 HG SER A 44 18.868 7.050 1.646 1.00 2.28 H new ATOM 465 N THR A 45 15.786 3.842 5.003 1.00 0.90 N ATOM 466 CA THR A 45 15.092 2.588 5.156 1.00 0.79 C ATOM 467 C THR A 45 13.581 2.794 5.242 1.00 0.71 C ATOM 468 O THR A 45 13.102 3.789 5.804 1.00 0.86 O ATOM 469 CB THR A 45 15.612 1.767 6.363 1.00 0.92 C ATOM 470 OG1 THR A 45 15.465 2.479 7.595 1.00 1.10 O ATOM 471 CG2 THR A 45 17.065 1.417 6.176 1.00 1.21 C ATOM 0 H THR A 45 16.143 4.241 5.871 1.00 0.90 H new ATOM 0 HA THR A 45 15.304 2.004 4.260 1.00 0.79 H new ATOM 0 HB THR A 45 15.011 0.859 6.411 1.00 0.92 H new ATOM 0 HG1 THR A 45 15.802 1.929 8.333 1.00 1.10 H new ATOM 0 HG21 THR A 45 17.414 0.841 7.033 1.00 1.21 H new ATOM 0 HG22 THR A 45 17.183 0.825 5.268 1.00 1.21 H new ATOM 0 HG23 THR A 45 17.652 2.332 6.091 1.00 1.21 H new ATOM 479 N VAL A 46 12.845 1.872 4.677 1.00 0.55 N ATOM 480 CA VAL A 46 11.408 1.964 4.631 1.00 0.53 C ATOM 481 C VAL A 46 10.777 0.964 5.591 1.00 0.46 C ATOM 482 O VAL A 46 11.113 -0.234 5.570 1.00 0.56 O ATOM 483 CB VAL A 46 10.875 1.746 3.184 1.00 0.65 C ATOM 484 CG1 VAL A 46 9.350 1.794 3.141 1.00 0.88 C ATOM 485 CG2 VAL A 46 11.451 2.802 2.246 1.00 0.70 C ATOM 0 H VAL A 46 13.225 1.035 4.235 1.00 0.55 H new ATOM 0 HA VAL A 46 11.126 2.970 4.943 1.00 0.53 H new ATOM 0 HB VAL A 46 11.195 0.757 2.856 1.00 0.65 H new ATOM 0 HG11 VAL A 46 9.010 1.638 2.117 1.00 0.88 H new ATOM 0 HG12 VAL A 46 8.943 1.011 3.781 1.00 0.88 H new ATOM 0 HG13 VAL A 46 9.006 2.766 3.494 1.00 0.88 H new ATOM 0 HG21 VAL A 46 11.071 2.639 1.237 1.00 0.70 H new ATOM 0 HG22 VAL A 46 11.156 3.794 2.589 1.00 0.70 H new ATOM 0 HG23 VAL A 46 12.539 2.729 2.240 1.00 0.70 H new ATOM 495 N ALA A 47 9.889 1.457 6.440 1.00 0.46 N ATOM 496 CA ALA A 47 9.200 0.634 7.387 1.00 0.47 C ATOM 497 C ALA A 47 7.804 0.338 6.877 1.00 0.42 C ATOM 498 O ALA A 47 6.939 1.247 6.782 1.00 0.40 O ATOM 499 CB ALA A 47 9.148 1.312 8.754 1.00 0.51 C ATOM 0 H ALA A 47 9.634 2.444 6.482 1.00 0.46 H new ATOM 0 HA ALA A 47 9.740 -0.305 7.504 1.00 0.47 H new ATOM 0 HB1 ALA A 47 8.620 0.670 9.459 1.00 0.51 H new ATOM 0 HB2 ALA A 47 10.162 1.487 9.112 1.00 0.51 H new ATOM 0 HB3 ALA A 47 8.624 2.264 8.668 1.00 0.51 H new ATOM 505 N LEU A 48 7.594 -0.896 6.519 1.00 0.49 N ATOM 506 CA LEU A 48 6.325 -1.355 6.038 1.00 0.55 C ATOM 507 C LEU A 48 5.631 -2.228 7.028 1.00 0.55 C ATOM 508 O LEU A 48 6.265 -2.991 7.767 1.00 0.66 O ATOM 509 CB LEU A 48 6.473 -2.064 4.714 1.00 0.77 C ATOM 510 CG LEU A 48 6.359 -1.186 3.487 1.00 1.04 C ATOM 511 CD1 LEU A 48 6.797 -1.957 2.279 1.00 1.75 C ATOM 512 CD2 LEU A 48 4.910 -0.787 3.312 1.00 1.48 C ATOM 0 H LEU A 48 8.310 -1.621 6.554 1.00 0.49 H new ATOM 0 HA LEU A 48 5.702 -0.473 5.891 1.00 0.55 H new ATOM 0 HB2 LEU A 48 7.443 -2.561 4.695 1.00 0.77 H new ATOM 0 HB3 LEU A 48 5.714 -2.844 4.653 1.00 0.77 H new ATOM 0 HG LEU A 48 6.986 -0.302 3.605 1.00 1.04 H new ATOM 0 HD11 LEU A 48 6.715 -1.325 1.395 1.00 1.75 H new ATOM 0 HD12 LEU A 48 7.833 -2.273 2.405 1.00 1.75 H new ATOM 0 HD13 LEU A 48 6.162 -2.835 2.158 1.00 1.75 H new ATOM 0 HD21 LEU A 48 4.811 -0.153 2.431 1.00 1.48 H new ATOM 0 HD22 LEU A 48 4.299 -1.681 3.186 1.00 1.48 H new ATOM 0 HD23 LEU A 48 4.575 -0.239 4.193 1.00 1.48 H new ATOM 524 N ALA A 49 4.338 -2.133 7.025 1.00 0.54 N ATOM 525 CA ALA A 49 3.517 -2.846 7.918 1.00 0.59 C ATOM 526 C ALA A 49 2.194 -3.019 7.266 1.00 0.53 C ATOM 527 O ALA A 49 1.781 -2.167 6.486 1.00 0.69 O ATOM 528 CB ALA A 49 3.371 -2.085 9.227 1.00 0.76 C ATOM 0 H ALA A 49 3.822 -1.537 6.378 1.00 0.54 H new ATOM 0 HA ALA A 49 3.956 -3.816 8.150 1.00 0.59 H new ATOM 0 HB1 ALA A 49 2.733 -2.650 9.907 1.00 0.76 H new ATOM 0 HB2 ALA A 49 4.353 -1.948 9.680 1.00 0.76 H new ATOM 0 HB3 ALA A 49 2.922 -1.111 9.033 1.00 0.76 H new ATOM 534 N LYS A 50 1.552 -4.147 7.541 1.00 0.55 N ATOM 535 CA LYS A 50 0.212 -4.454 7.027 1.00 0.70 C ATOM 536 C LYS A 50 0.211 -4.530 5.522 1.00 0.60 C ATOM 537 O LYS A 50 -0.806 -4.288 4.886 1.00 0.74 O ATOM 538 CB LYS A 50 -0.778 -3.401 7.502 1.00 0.98 C ATOM 539 CG LYS A 50 -0.766 -3.241 8.986 1.00 1.44 C ATOM 540 CD LYS A 50 -1.791 -2.247 9.471 1.00 1.95 C ATOM 541 CE LYS A 50 -3.195 -2.677 9.096 1.00 2.92 C ATOM 542 NZ LYS A 50 -4.192 -1.957 9.886 1.00 3.63 N ATOM 0 H LYS A 50 1.943 -4.882 8.130 1.00 0.55 H new ATOM 0 HA LYS A 50 -0.088 -5.429 7.412 1.00 0.70 H new ATOM 0 HB2 LYS A 50 -0.541 -2.446 7.034 1.00 0.98 H new ATOM 0 HB3 LYS A 50 -1.781 -3.676 7.176 1.00 0.98 H new ATOM 0 HG2 LYS A 50 -0.953 -4.208 9.453 1.00 1.44 H new ATOM 0 HG3 LYS A 50 0.226 -2.920 9.305 1.00 1.44 H new ATOM 0 HD2 LYS A 50 -1.717 -2.144 10.554 1.00 1.95 H new ATOM 0 HD3 LYS A 50 -1.582 -1.267 9.042 1.00 1.95 H new ATOM 0 HE2 LYS A 50 -3.364 -2.493 8.035 1.00 2.92 H new ATOM 0 HE3 LYS A 50 -3.305 -3.750 9.255 1.00 2.92 H new ATOM 0 HZ1 LYS A 50 -5.145 -2.269 9.610 1.00 3.63 H new ATOM 0 HZ2 LYS A 50 -4.042 -2.153 10.896 1.00 3.63 H new ATOM 0 HZ3 LYS A 50 -4.099 -0.935 9.714 1.00 3.63 H new ATOM 556 N VAL A 51 1.343 -4.921 4.951 1.00 0.64 N ATOM 557 CA VAL A 51 1.444 -4.938 3.524 1.00 0.54 C ATOM 558 C VAL A 51 0.555 -6.050 2.953 1.00 0.72 C ATOM 559 O VAL A 51 0.825 -7.248 3.138 1.00 1.07 O ATOM 560 CB VAL A 51 2.910 -5.234 3.124 1.00 0.78 C ATOM 561 CG1 VAL A 51 3.116 -5.211 1.620 1.00 1.52 C ATOM 562 CG2 VAL A 51 3.837 -4.270 3.807 1.00 1.44 C ATOM 0 H VAL A 51 2.179 -5.222 5.453 1.00 0.64 H new ATOM 0 HA VAL A 51 1.127 -3.972 3.132 1.00 0.54 H new ATOM 0 HB VAL A 51 3.141 -6.246 3.455 1.00 0.78 H new ATOM 0 HG11 VAL A 51 4.160 -5.424 1.393 1.00 1.52 H new ATOM 0 HG12 VAL A 51 2.482 -5.965 1.154 1.00 1.52 H new ATOM 0 HG13 VAL A 51 2.854 -4.227 1.232 1.00 1.52 H new ATOM 0 HG21 VAL A 51 4.865 -4.488 3.518 1.00 1.44 H new ATOM 0 HG22 VAL A 51 3.585 -3.252 3.512 1.00 1.44 H new ATOM 0 HG23 VAL A 51 3.735 -4.370 4.888 1.00 1.44 H new ATOM 572 N ARG A 52 -0.485 -5.629 2.273 1.00 0.93 N ATOM 573 CA ARG A 52 -1.411 -6.473 1.586 1.00 1.36 C ATOM 574 C ARG A 52 -2.314 -5.606 0.727 1.00 1.77 C ATOM 575 O ARG A 52 -2.883 -4.615 1.211 1.00 2.15 O ATOM 576 CB ARG A 52 -2.256 -7.294 2.589 1.00 1.98 C ATOM 577 CG ARG A 52 -3.316 -8.210 1.933 1.00 2.57 C ATOM 578 CD ARG A 52 -4.106 -9.030 2.966 1.00 3.14 C ATOM 579 NE ARG A 52 -5.290 -9.707 2.364 1.00 3.81 N ATOM 580 CZ ARG A 52 -6.029 -10.709 2.914 1.00 4.54 C ATOM 581 NH1 ARG A 52 -5.700 -11.226 4.097 1.00 4.84 N ATOM 582 NH2 ARG A 52 -7.122 -11.157 2.276 1.00 5.32 N ATOM 0 H ARG A 52 -0.712 -4.639 2.185 1.00 0.93 H new ATOM 0 HA ARG A 52 -0.862 -7.176 0.959 1.00 1.36 H new ATOM 0 HB2 ARG A 52 -1.587 -7.908 3.192 1.00 1.98 H new ATOM 0 HB3 ARG A 52 -2.759 -6.607 3.270 1.00 1.98 H new ATOM 0 HG2 ARG A 52 -4.008 -7.601 1.351 1.00 2.57 H new ATOM 0 HG3 ARG A 52 -2.824 -8.888 1.235 1.00 2.57 H new ATOM 0 HD2 ARG A 52 -3.450 -9.778 3.412 1.00 3.14 H new ATOM 0 HD3 ARG A 52 -4.436 -8.374 3.772 1.00 3.14 H new ATOM 0 HE ARG A 52 -5.577 -9.384 1.440 1.00 3.81 H new ATOM 0 HH11 ARG A 52 -4.887 -10.871 4.600 1.00 4.84 H new ATOM 0 HH12 ARG A 52 -6.261 -11.977 4.499 1.00 4.84 H new ATOM 0 HH21 ARG A 52 -7.395 -10.747 1.383 1.00 5.32 H new ATOM 0 HH22 ARG A 52 -7.679 -11.908 2.684 1.00 5.32 H new ATOM 920 N TYR A 74 5.677 -8.259 9.176 1.00 2.52 N ATOM 921 CA TYR A 74 5.873 -6.980 8.427 1.00 1.62 C ATOM 922 C TYR A 74 7.189 -7.039 7.621 1.00 1.55 C ATOM 923 O TYR A 74 7.888 -8.043 7.674 1.00 2.04 O ATOM 924 CB TYR A 74 5.849 -5.738 9.360 1.00 1.64 C ATOM 925 CG TYR A 74 4.647 -5.683 10.285 1.00 2.33 C ATOM 926 CD1 TYR A 74 3.375 -5.706 9.783 1.00 2.84 C ATOM 927 CD2 TYR A 74 4.795 -5.609 11.665 1.00 3.09 C ATOM 928 CE1 TYR A 74 2.267 -5.662 10.607 1.00 3.84 C ATOM 929 CE2 TYR A 74 3.687 -5.570 12.499 1.00 4.10 C ATOM 930 CZ TYR A 74 2.431 -5.597 11.954 1.00 4.41 C ATOM 931 OH TYR A 74 1.323 -5.567 12.760 1.00 5.54 O ATOM 0 HA TYR A 74 5.035 -6.868 7.739 1.00 1.62 H new ATOM 0 HB2 TYR A 74 6.758 -5.731 9.962 1.00 1.64 H new ATOM 0 HB3 TYR A 74 5.865 -4.836 8.748 1.00 1.64 H new ATOM 0 HD1 TYR A 74 3.233 -5.760 8.714 1.00 2.84 H new ATOM 0 HD2 TYR A 74 5.786 -5.581 12.094 1.00 3.09 H new ATOM 0 HE1 TYR A 74 1.274 -5.679 10.182 1.00 3.84 H new ATOM 0 HE2 TYR A 74 3.814 -5.519 13.570 1.00 4.10 H new ATOM 0 HH TYR A 74 1.602 -5.522 13.698 1.00 5.54 H new ATOM 941 N ILE A 75 7.512 -5.990 6.840 1.00 1.22 N ATOM 942 CA ILE A 75 8.733 -6.010 6.053 1.00 1.39 C ATOM 943 C ILE A 75 9.496 -4.697 6.162 1.00 0.98 C ATOM 944 O ILE A 75 8.913 -3.608 6.133 1.00 1.15 O ATOM 945 CB ILE A 75 8.495 -6.380 4.559 1.00 2.16 C ATOM 946 CG1 ILE A 75 7.404 -5.505 3.936 1.00 2.78 C ATOM 947 CG2 ILE A 75 8.189 -7.869 4.392 1.00 2.77 C ATOM 948 CD1 ILE A 75 7.124 -5.816 2.486 1.00 3.80 C ATOM 0 H ILE A 75 6.952 -5.143 6.746 1.00 1.22 H new ATOM 0 HA ILE A 75 9.344 -6.803 6.483 1.00 1.39 H new ATOM 0 HB ILE A 75 9.421 -6.180 4.019 1.00 2.16 H new ATOM 0 HG12 ILE A 75 6.484 -5.627 4.508 1.00 2.78 H new ATOM 0 HG13 ILE A 75 7.697 -4.459 4.023 1.00 2.78 H new ATOM 0 HG21 ILE A 75 8.028 -8.091 3.337 1.00 2.77 H new ATOM 0 HG22 ILE A 75 9.029 -8.457 4.763 1.00 2.77 H new ATOM 0 HG23 ILE A 75 7.292 -8.122 4.957 1.00 2.77 H new ATOM 0 HD11 ILE A 75 6.340 -5.155 2.117 1.00 3.80 H new ATOM 0 HD12 ILE A 75 8.031 -5.666 1.900 1.00 3.80 H new ATOM 0 HD13 ILE A 75 6.799 -6.852 2.392 1.00 3.80 H new ATOM 960 N ILE A 76 10.792 -4.813 6.305 1.00 0.97 N ATOM 961 CA ILE A 76 11.660 -3.677 6.457 1.00 0.87 C ATOM 962 C ILE A 76 12.666 -3.657 5.308 1.00 0.78 C ATOM 963 O ILE A 76 13.321 -4.674 5.011 1.00 1.17 O ATOM 964 CB ILE A 76 12.414 -3.715 7.826 1.00 1.64 C ATOM 965 CG1 ILE A 76 11.427 -3.730 9.017 1.00 2.14 C ATOM 966 CG2 ILE A 76 13.385 -2.541 7.951 1.00 1.87 C ATOM 967 CD1 ILE A 76 10.488 -2.528 9.100 1.00 2.42 C ATOM 0 H ILE A 76 11.278 -5.710 6.319 1.00 0.97 H new ATOM 0 HA ILE A 76 11.053 -2.772 6.437 1.00 0.87 H new ATOM 0 HB ILE A 76 12.988 -4.641 7.854 1.00 1.64 H new ATOM 0 HG12 ILE A 76 10.825 -4.637 8.958 1.00 2.14 H new ATOM 0 HG13 ILE A 76 12.000 -3.787 9.942 1.00 2.14 H new ATOM 0 HG21 ILE A 76 13.896 -2.592 8.913 1.00 1.87 H new ATOM 0 HG22 ILE A 76 14.119 -2.589 7.147 1.00 1.87 H new ATOM 0 HG23 ILE A 76 12.833 -1.604 7.883 1.00 1.87 H new ATOM 0 HD11 ILE A 76 9.837 -2.634 9.968 1.00 2.42 H new ATOM 0 HD12 ILE A 76 11.074 -1.614 9.195 1.00 2.42 H new ATOM 0 HD13 ILE A 76 9.881 -2.477 8.196 1.00 2.42 H new ATOM 979 N PHE A 77 12.773 -2.534 4.661 1.00 0.64 N ATOM 980 CA PHE A 77 13.670 -2.388 3.551 1.00 0.75 C ATOM 981 C PHE A 77 14.947 -1.725 3.970 1.00 0.68 C ATOM 982 O PHE A 77 14.928 -0.759 4.719 1.00 0.65 O ATOM 983 CB PHE A 77 13.016 -1.630 2.403 1.00 1.02 C ATOM 984 CG PHE A 77 11.954 -2.424 1.688 1.00 1.18 C ATOM 985 CD1 PHE A 77 10.764 -2.755 2.315 1.00 1.69 C ATOM 986 CD2 PHE A 77 12.158 -2.849 0.392 1.00 1.44 C ATOM 987 CE1 PHE A 77 9.810 -3.494 1.654 1.00 2.31 C ATOM 988 CE2 PHE A 77 11.205 -3.581 -0.269 1.00 1.87 C ATOM 989 CZ PHE A 77 10.027 -3.908 0.358 1.00 2.30 C ATOM 0 H PHE A 77 12.242 -1.693 4.887 1.00 0.64 H new ATOM 0 HA PHE A 77 13.912 -3.389 3.193 1.00 0.75 H new ATOM 0 HB2 PHE A 77 12.574 -0.712 2.789 1.00 1.02 H new ATOM 0 HB3 PHE A 77 13.784 -1.337 1.687 1.00 1.02 H new ATOM 0 HD1 PHE A 77 10.584 -2.431 3.329 1.00 1.69 H new ATOM 0 HD2 PHE A 77 13.082 -2.602 -0.110 1.00 1.44 H new ATOM 0 HE1 PHE A 77 8.887 -3.751 2.153 1.00 2.31 H new ATOM 0 HE2 PHE A 77 11.381 -3.901 -1.285 1.00 1.87 H new ATOM 0 HZ PHE A 77 9.277 -4.485 -0.161 1.00 2.30 H new ATOM 999 N ARG A 78 16.066 -2.250 3.471 1.00 0.76 N ATOM 1000 CA ARG A 78 17.406 -1.728 3.771 1.00 0.80 C ATOM 1001 C ARG A 78 17.608 -0.306 3.224 1.00 0.71 C ATOM 1002 O ARG A 78 18.568 0.358 3.571 1.00 1.01 O ATOM 1003 CB ARG A 78 18.482 -2.633 3.179 1.00 1.04 C ATOM 1004 CG ARG A 78 18.517 -4.067 3.691 1.00 1.36 C ATOM 1005 CD ARG A 78 18.762 -4.128 5.179 1.00 1.38 C ATOM 1006 NE ARG A 78 18.962 -5.514 5.644 1.00 2.06 N ATOM 1007 CZ ARG A 78 19.006 -5.902 6.924 1.00 2.69 C ATOM 1008 NH1 ARG A 78 18.843 -5.017 7.896 1.00 3.02 N ATOM 1009 NH2 ARG A 78 19.233 -7.179 7.222 1.00 3.45 N ATOM 0 H ARG A 78 16.072 -3.054 2.843 1.00 0.76 H new ATOM 0 HA ARG A 78 17.492 -1.701 4.857 1.00 0.80 H new ATOM 0 HB2 ARG A 78 18.349 -2.659 2.097 1.00 1.04 H new ATOM 0 HB3 ARG A 78 19.454 -2.178 3.370 1.00 1.04 H new ATOM 0 HG2 ARG A 78 17.572 -4.559 3.458 1.00 1.36 H new ATOM 0 HG3 ARG A 78 19.300 -4.619 3.171 1.00 1.36 H new ATOM 0 HD2 ARG A 78 19.639 -3.531 5.428 1.00 1.38 H new ATOM 0 HD3 ARG A 78 17.916 -3.686 5.705 1.00 1.38 H new ATOM 0 HE ARG A 78 19.076 -6.235 4.932 1.00 2.06 H new ATOM 0 HH11 ARG A 78 18.683 -4.035 7.670 1.00 3.02 H new ATOM 0 HH12 ARG A 78 18.877 -5.317 8.870 1.00 3.02 H new ATOM 0 HH21 ARG A 78 19.373 -7.860 6.475 1.00 3.45 H new ATOM 0 HH22 ARG A 78 19.267 -7.477 8.197 1.00 3.45 H new ATOM 1023 N GLY A 79 16.719 0.145 2.351 1.00 0.66 N ATOM 1024 CA GLY A 79 16.836 1.489 1.801 1.00 0.72 C ATOM 1025 C GLY A 79 17.805 1.546 0.663 1.00 0.64 C ATOM 1026 O GLY A 79 17.437 1.858 -0.465 1.00 0.76 O ATOM 0 H GLY A 79 15.920 -0.390 2.012 1.00 0.66 H new ATOM 0 HA2 GLY A 79 15.857 1.828 1.461 1.00 0.72 H new ATOM 0 HA3 GLY A 79 17.157 2.175 2.585 1.00 0.72 H new ATOM 1030 N SER A 80 19.025 1.233 0.952 1.00 0.62 N ATOM 1031 CA SER A 80 20.066 1.157 -0.057 1.00 0.79 C ATOM 1032 C SER A 80 19.775 0.051 -1.093 1.00 0.77 C ATOM 1033 O SER A 80 20.170 0.145 -2.256 1.00 1.04 O ATOM 1034 CB SER A 80 21.408 0.922 0.635 1.00 0.94 C ATOM 1035 OG SER A 80 21.338 -0.179 1.559 1.00 1.64 O ATOM 0 H SER A 80 19.344 1.019 1.897 1.00 0.62 H new ATOM 0 HA SER A 80 20.098 2.098 -0.605 1.00 0.79 H new ATOM 0 HB2 SER A 80 22.175 0.722 -0.114 1.00 0.94 H new ATOM 0 HB3 SER A 80 21.708 1.825 1.166 1.00 0.94 H new ATOM 0 HG SER A 80 21.088 -0.995 1.077 1.00 1.64 H new ATOM 1041 N ASP A 81 19.048 -0.953 -0.651 1.00 0.61 N ATOM 1042 CA ASP A 81 18.764 -2.154 -1.438 1.00 0.76 C ATOM 1043 C ASP A 81 17.390 -2.108 -2.111 1.00 0.58 C ATOM 1044 O ASP A 81 16.832 -3.161 -2.463 1.00 0.63 O ATOM 1045 CB ASP A 81 18.834 -3.379 -0.534 1.00 0.99 C ATOM 1046 CG ASP A 81 20.216 -3.621 0.041 1.00 1.58 C ATOM 1047 OD1 ASP A 81 20.687 -2.775 0.852 1.00 1.92 O ATOM 1048 OD2 ASP A 81 20.808 -4.674 -0.268 1.00 2.00 O ATOM 0 H ASP A 81 18.627 -0.967 0.278 1.00 0.61 H new ATOM 0 HA ASP A 81 19.514 -2.207 -2.227 1.00 0.76 H new ATOM 0 HB2 ASP A 81 18.123 -3.260 0.284 1.00 0.99 H new ATOM 0 HB3 ASP A 81 18.524 -4.258 -1.100 1.00 0.99 H new ATOM 1053 N ILE A 82 16.826 -0.928 -2.294 1.00 0.49 N ATOM 1054 CA ILE A 82 15.558 -0.844 -3.001 1.00 0.42 C ATOM 1055 C ILE A 82 15.793 -0.745 -4.504 1.00 0.38 C ATOM 1056 O ILE A 82 16.754 -0.116 -4.954 1.00 0.47 O ATOM 1057 CB ILE A 82 14.645 0.338 -2.540 1.00 0.49 C ATOM 1058 CG1 ILE A 82 15.333 1.705 -2.737 1.00 0.96 C ATOM 1059 CG2 ILE A 82 14.202 0.151 -1.085 1.00 0.89 C ATOM 1060 CD1 ILE A 82 14.446 2.890 -2.405 1.00 1.70 C ATOM 0 H ILE A 82 17.210 -0.039 -1.975 1.00 0.49 H new ATOM 0 HA ILE A 82 15.026 -1.763 -2.754 1.00 0.42 H new ATOM 0 HB ILE A 82 13.757 0.329 -3.172 1.00 0.49 H new ATOM 0 HG12 ILE A 82 16.226 1.745 -2.113 1.00 0.96 H new ATOM 0 HG13 ILE A 82 15.664 1.789 -3.772 1.00 0.96 H new ATOM 0 HG21 ILE A 82 13.568 0.986 -0.788 1.00 0.89 H new ATOM 0 HG22 ILE A 82 13.643 -0.780 -0.992 1.00 0.89 H new ATOM 0 HG23 ILE A 82 15.079 0.114 -0.439 1.00 0.89 H new ATOM 0 HD11 ILE A 82 14.999 3.815 -2.568 1.00 1.70 H new ATOM 0 HD12 ILE A 82 13.565 2.876 -3.047 1.00 1.70 H new ATOM 0 HD13 ILE A 82 14.136 2.831 -1.362 1.00 1.70 H new ATOM 1072 N LYS A 83 14.937 -1.385 -5.265 1.00 0.34 N ATOM 1073 CA LYS A 83 15.002 -1.309 -6.714 1.00 0.36 C ATOM 1074 C LYS A 83 14.186 -0.137 -7.238 1.00 0.38 C ATOM 1075 O LYS A 83 14.729 0.776 -7.864 1.00 0.58 O ATOM 1076 CB LYS A 83 14.527 -2.622 -7.361 1.00 0.50 C ATOM 1077 CG LYS A 83 15.457 -3.810 -7.161 1.00 0.86 C ATOM 1078 CD LYS A 83 16.766 -3.604 -7.914 1.00 0.97 C ATOM 1079 CE LYS A 83 17.697 -4.813 -7.816 1.00 1.01 C ATOM 1080 NZ LYS A 83 18.925 -4.644 -8.636 1.00 1.59 N ATOM 0 H LYS A 83 14.181 -1.969 -4.907 1.00 0.34 H new ATOM 0 HA LYS A 83 16.045 -1.151 -6.987 1.00 0.36 H new ATOM 0 HB2 LYS A 83 13.547 -2.875 -6.957 1.00 0.50 H new ATOM 0 HB3 LYS A 83 14.398 -2.457 -8.431 1.00 0.50 H new ATOM 0 HG2 LYS A 83 15.660 -3.944 -6.099 1.00 0.86 H new ATOM 0 HG3 LYS A 83 14.971 -4.721 -7.510 1.00 0.86 H new ATOM 0 HD2 LYS A 83 16.549 -3.401 -8.963 1.00 0.97 H new ATOM 0 HD3 LYS A 83 17.275 -2.725 -7.517 1.00 0.97 H new ATOM 0 HE2 LYS A 83 17.977 -4.971 -6.774 1.00 1.01 H new ATOM 0 HE3 LYS A 83 17.165 -5.707 -8.142 1.00 1.01 H new ATOM 0 HZ1 LYS A 83 19.526 -5.487 -8.539 1.00 1.59 H new ATOM 0 HZ2 LYS A 83 18.661 -4.520 -9.634 1.00 1.59 H new ATOM 0 HZ3 LYS A 83 19.448 -3.807 -8.309 1.00 1.59 H new ATOM 1094 N ASP A 84 12.890 -0.150 -6.960 1.00 0.34 N ATOM 1095 CA ASP A 84 11.997 0.895 -7.477 1.00 0.44 C ATOM 1096 C ASP A 84 10.918 1.204 -6.468 1.00 0.48 C ATOM 1097 O ASP A 84 10.549 0.333 -5.653 1.00 0.78 O ATOM 1098 CB ASP A 84 11.364 0.472 -8.828 1.00 0.77 C ATOM 1099 CG ASP A 84 10.475 1.555 -9.474 1.00 1.37 C ATOM 1100 OD1 ASP A 84 9.293 1.678 -9.090 1.00 2.22 O ATOM 1101 OD2 ASP A 84 10.963 2.276 -10.373 1.00 1.49 O ATOM 0 H ASP A 84 12.431 -0.859 -6.388 1.00 0.34 H new ATOM 0 HA ASP A 84 12.590 1.793 -7.649 1.00 0.44 H new ATOM 0 HB2 ASP A 84 12.161 0.209 -9.524 1.00 0.77 H new ATOM 0 HB3 ASP A 84 10.767 -0.427 -8.672 1.00 0.77 H new ATOM 1106 N LEU A 85 10.422 2.429 -6.514 1.00 0.48 N ATOM 1107 CA LEU A 85 9.374 2.878 -5.639 1.00 0.72 C ATOM 1108 C LEU A 85 8.296 3.557 -6.457 1.00 0.61 C ATOM 1109 O LEU A 85 8.462 4.698 -6.897 1.00 0.86 O ATOM 1110 CB LEU A 85 9.923 3.833 -4.558 1.00 1.47 C ATOM 1111 CG LEU A 85 8.878 4.444 -3.597 1.00 2.12 C ATOM 1112 CD1 LEU A 85 8.141 3.370 -2.810 1.00 2.79 C ATOM 1113 CD2 LEU A 85 9.538 5.441 -2.657 1.00 2.86 C ATOM 0 H LEU A 85 10.745 3.140 -7.170 1.00 0.48 H new ATOM 0 HA LEU A 85 8.948 2.016 -5.126 1.00 0.72 H new ATOM 0 HB2 LEU A 85 10.660 3.292 -3.965 1.00 1.47 H new ATOM 0 HB3 LEU A 85 10.450 4.648 -5.055 1.00 1.47 H new ATOM 0 HG LEU A 85 8.140 4.970 -4.203 1.00 2.12 H new ATOM 0 HD11 LEU A 85 7.415 3.839 -2.146 1.00 2.79 H new ATOM 0 HD12 LEU A 85 7.624 2.704 -3.500 1.00 2.79 H new ATOM 0 HD13 LEU A 85 8.856 2.797 -2.219 1.00 2.79 H new ATOM 0 HD21 LEU A 85 8.788 5.861 -1.987 1.00 2.86 H new ATOM 0 HD22 LEU A 85 10.305 4.935 -2.071 1.00 2.86 H new ATOM 0 HD23 LEU A 85 9.995 6.242 -3.238 1.00 2.86 H new ATOM 1125 N THR A 86 7.227 2.850 -6.687 1.00 0.61 N ATOM 1126 CA THR A 86 6.122 3.349 -7.429 1.00 0.83 C ATOM 1127 C THR A 86 5.022 3.858 -6.462 1.00 0.83 C ATOM 1128 O THR A 86 4.498 3.094 -5.623 1.00 0.91 O ATOM 1129 CB THR A 86 5.552 2.248 -8.345 1.00 1.18 C ATOM 1130 OG1 THR A 86 6.583 1.733 -9.225 1.00 1.88 O ATOM 1131 CG2 THR A 86 4.386 2.774 -9.182 1.00 1.64 C ATOM 0 H THR A 86 7.104 1.894 -6.355 1.00 0.61 H new ATOM 0 HA THR A 86 6.462 4.178 -8.049 1.00 0.83 H new ATOM 0 HB THR A 86 5.188 1.444 -7.705 1.00 1.18 H new ATOM 0 HG1 THR A 86 7.463 2.013 -8.897 1.00 1.88 H new ATOM 0 HG21 THR A 86 4.005 1.975 -9.818 1.00 1.64 H new ATOM 0 HG22 THR A 86 3.592 3.122 -8.521 1.00 1.64 H new ATOM 0 HG23 THR A 86 4.729 3.601 -9.804 1.00 1.64 H new ATOM 1139 N VAL A 87 4.699 5.134 -6.574 1.00 1.10 N ATOM 1140 CA VAL A 87 3.697 5.765 -5.722 1.00 1.29 C ATOM 1141 C VAL A 87 2.328 5.813 -6.439 1.00 1.44 C ATOM 1142 O VAL A 87 2.278 5.892 -7.659 1.00 1.74 O ATOM 1143 CB VAL A 87 4.171 7.190 -5.286 1.00 1.88 C ATOM 1144 CG1 VAL A 87 4.395 8.108 -6.482 1.00 2.70 C ATOM 1145 CG2 VAL A 87 3.208 7.813 -4.293 1.00 2.21 C ATOM 0 H VAL A 87 5.121 5.764 -7.256 1.00 1.10 H new ATOM 0 HA VAL A 87 3.574 5.167 -4.819 1.00 1.29 H new ATOM 0 HB VAL A 87 5.133 7.066 -4.789 1.00 1.88 H new ATOM 0 HG11 VAL A 87 4.723 9.087 -6.133 1.00 2.70 H new ATOM 0 HG12 VAL A 87 5.158 7.680 -7.132 1.00 2.70 H new ATOM 0 HG13 VAL A 87 3.464 8.215 -7.038 1.00 2.70 H new ATOM 0 HG21 VAL A 87 3.567 8.803 -4.010 1.00 2.21 H new ATOM 0 HG22 VAL A 87 2.222 7.901 -4.749 1.00 2.21 H new ATOM 0 HG23 VAL A 87 3.143 7.184 -3.405 1.00 2.21 H new