USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 406 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 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 113:sc= 0.393 USER MOD Single : A 98 SER OG : rot -169:sc= 2.03 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.099) USER MOD Single : A 105 MET CE :methyl -166:sc= -1.76 (180deg=-2.25!) USER MOD Single : A 111 SER OG : rot 180:sc= 0.489 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot -140:sc= -0.665 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -163:sc= 1.33 USER MOD Single : A 131 ASN : amide:sc= -3.51 K(o=-3.5,f=-13!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 10.990 -1.511 0.869 1.00 0.00 N ATOM 40 CA ILE A 81 9.770 -1.744 0.041 1.00 0.00 C ATOM 41 C ILE A 81 8.611 -0.862 0.521 1.00 0.00 C ATOM 42 O ILE A 81 7.489 -1.307 0.621 1.00 0.00 O ATOM 43 CB ILE A 81 9.439 -3.244 0.151 1.00 0.00 C ATOM 44 CG1 ILE A 81 8.947 -3.617 1.579 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.666 -4.075 -0.263 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.096 -4.026 2.519 1.00 0.00 C ATOM 0 HA ILE A 81 9.940 -1.475 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 81 8.619 -3.473 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.417 -2.767 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.232 -4.437 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.430 -5.136 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.935 -3.838 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.503 -3.840 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.692 -4.275 3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.611 -4.894 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.799 -3.199 2.615 1.00 0.00 H new ATOM 58 N ILE A 82 8.869 0.393 0.808 1.00 0.00 N ATOM 59 CA ILE A 82 7.761 1.292 1.269 1.00 0.00 C ATOM 60 C ILE A 82 7.228 2.082 0.083 1.00 0.00 C ATOM 61 O ILE A 82 7.983 2.636 -0.683 1.00 0.00 O ATOM 62 CB ILE A 82 8.348 2.264 2.310 1.00 0.00 C ATOM 63 CG1 ILE A 82 9.382 1.576 3.222 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.207 2.822 3.169 1.00 0.00 C ATOM 65 CD1 ILE A 82 8.779 0.328 3.865 1.00 0.00 C ATOM 0 H ILE A 82 9.788 0.830 0.744 1.00 0.00 H new ATOM 0 HA ILE A 82 6.948 0.710 1.703 1.00 0.00 H new ATOM 0 HB ILE A 82 8.858 3.065 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.264 1.304 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.711 2.269 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.613 3.511 3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.497 3.350 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.699 2.002 3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.522 -0.146 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.911 0.609 4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.473 -0.371 3.086 1.00 0.00 H new ATOM 77 N VAL A 83 5.937 2.137 -0.071 1.00 0.00 N ATOM 78 CA VAL A 83 5.355 2.893 -1.212 1.00 0.00 C ATOM 79 C VAL A 83 4.436 4.007 -0.706 1.00 0.00 C ATOM 80 O VAL A 83 4.077 4.055 0.456 1.00 0.00 O ATOM 81 CB VAL A 83 4.561 1.852 -2.016 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.508 0.759 -2.535 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.478 1.220 -1.128 1.00 0.00 C ATOM 0 H VAL A 83 5.258 1.690 0.545 1.00 0.00 H new ATOM 0 HA VAL A 83 6.121 3.376 -1.818 1.00 0.00 H new ATOM 0 HB VAL A 83 4.086 2.346 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.938 0.024 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.265 1.209 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.993 0.268 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.919 0.483 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.947 0.732 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.798 1.996 -0.775 1.00 0.00 H new ATOM 93 N VAL A 84 4.048 4.895 -1.580 1.00 0.00 N ATOM 94 CA VAL A 84 3.138 6.003 -1.176 1.00 0.00 C ATOM 95 C VAL A 84 1.907 5.997 -2.087 1.00 0.00 C ATOM 96 O VAL A 84 2.027 5.891 -3.295 1.00 0.00 O ATOM 97 CB VAL A 84 3.962 7.303 -1.330 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.064 7.731 -2.801 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.283 8.425 -0.548 1.00 0.00 C ATOM 0 H VAL A 84 4.324 4.900 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 84 2.778 5.905 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 84 4.965 7.112 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.649 8.648 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.551 6.943 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.065 7.906 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.861 9.343 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.277 8.582 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.226 8.151 0.506 1.00 0.00 H new ATOM 109 N ALA A 85 0.737 6.109 -1.527 1.00 0.00 N ATOM 110 CA ALA A 85 -0.483 6.121 -2.373 1.00 0.00 C ATOM 111 C ALA A 85 -0.644 7.505 -2.984 1.00 0.00 C ATOM 112 O ALA A 85 -0.746 8.492 -2.270 1.00 0.00 O ATOM 113 CB ALA A 85 -1.637 5.822 -1.431 1.00 0.00 C ATOM 0 H ALA A 85 0.574 6.192 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.438 5.395 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.572 5.816 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.485 4.847 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.683 6.588 -0.657 1.00 0.00 H new ATOM 119 N LEU A 86 -0.663 7.579 -4.295 1.00 0.00 N ATOM 120 CA LEU A 86 -0.802 8.898 -4.983 1.00 0.00 C ATOM 121 C LEU A 86 -2.265 9.194 -5.318 1.00 0.00 C ATOM 122 O LEU A 86 -2.564 10.195 -5.937 1.00 0.00 O ATOM 123 CB LEU A 86 -0.014 8.755 -6.286 1.00 0.00 C ATOM 124 CG LEU A 86 1.481 8.935 -6.015 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.274 7.994 -6.924 1.00 0.00 C ATOM 126 CD2 LEU A 86 1.883 10.383 -6.309 1.00 0.00 C ATOM 0 H LEU A 86 -0.588 6.776 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.441 9.709 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.197 7.775 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.353 9.497 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 86 1.694 8.704 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.340 8.118 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.987 6.963 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.061 8.230 -7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.948 10.511 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.673 10.614 -7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.314 11.056 -5.667 1.00 0.00 H new ATOM 138 N TYR A 87 -3.177 8.338 -4.922 1.00 0.00 N ATOM 139 CA TYR A 87 -4.626 8.582 -5.208 1.00 0.00 C ATOM 140 C TYR A 87 -5.459 7.880 -4.136 1.00 0.00 C ATOM 141 O TYR A 87 -5.028 6.906 -3.548 1.00 0.00 O ATOM 142 CB TYR A 87 -4.911 7.974 -6.589 1.00 0.00 C ATOM 143 CG TYR A 87 -3.987 8.565 -7.626 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.250 9.831 -8.161 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.860 7.847 -8.043 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.385 10.379 -9.116 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.997 8.394 -8.998 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.259 9.660 -9.535 1.00 0.00 C ATOM 149 OH TYR A 87 -1.407 10.199 -10.477 1.00 0.00 O ATOM 0 H TYR A 87 -2.979 7.478 -4.411 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.873 9.644 -5.201 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.781 6.892 -6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.948 8.160 -6.868 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.119 10.385 -7.838 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.657 6.871 -7.627 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.586 11.356 -9.529 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.128 7.840 -9.321 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.676 9.571 -10.654 1.00 0.00 H new ATOM 159 N ASP A 88 -6.636 8.376 -3.867 1.00 0.00 N ATOM 160 CA ASP A 88 -7.494 7.745 -2.818 1.00 0.00 C ATOM 161 C ASP A 88 -8.004 6.377 -3.296 1.00 0.00 C ATOM 162 O ASP A 88 -8.322 6.199 -4.457 1.00 0.00 O ATOM 163 CB ASP A 88 -8.661 8.712 -2.610 1.00 0.00 C ATOM 164 CG ASP A 88 -8.187 9.931 -1.813 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.305 9.769 -0.986 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.716 11.005 -2.044 1.00 0.00 O ATOM 0 H ASP A 88 -7.042 9.191 -4.327 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.944 7.572 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.060 9.028 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.471 8.211 -2.079 1.00 0.00 H new ATOM 171 N TYR A 89 -8.088 5.414 -2.408 1.00 0.00 N ATOM 172 CA TYR A 89 -8.585 4.052 -2.806 1.00 0.00 C ATOM 173 C TYR A 89 -9.245 3.361 -1.609 1.00 0.00 C ATOM 174 O TYR A 89 -8.697 3.329 -0.523 1.00 0.00 O ATOM 175 CB TYR A 89 -7.341 3.273 -3.241 1.00 0.00 C ATOM 176 CG TYR A 89 -7.759 1.933 -3.810 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.396 1.864 -5.057 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.521 0.758 -3.082 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.795 0.622 -5.573 1.00 0.00 C ATOM 180 CE2 TYR A 89 -7.918 -0.483 -3.600 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.557 -0.551 -4.844 1.00 0.00 C ATOM 182 OH TYR A 89 -8.950 -1.772 -5.355 1.00 0.00 O ATOM 0 H TYR A 89 -7.835 5.510 -1.425 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.328 4.108 -3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.786 3.840 -3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.674 3.127 -2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.580 2.767 -5.620 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.031 0.809 -2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.286 0.570 -6.533 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.731 -1.387 -3.039 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.158 -2.306 -5.572 1.00 0.00 H new ATOM 192 N GLU A 90 -10.420 2.811 -1.801 1.00 0.00 N ATOM 193 CA GLU A 90 -11.125 2.125 -0.674 1.00 0.00 C ATOM 194 C GLU A 90 -10.988 0.601 -0.785 1.00 0.00 C ATOM 195 O GLU A 90 -11.041 0.037 -1.861 1.00 0.00 O ATOM 196 CB GLU A 90 -12.590 2.548 -0.804 1.00 0.00 C ATOM 197 CG GLU A 90 -13.368 2.069 0.424 1.00 0.00 C ATOM 198 CD GLU A 90 -12.925 2.865 1.653 1.00 0.00 C ATOM 199 OE1 GLU A 90 -13.366 3.994 1.795 1.00 0.00 O ATOM 200 OE2 GLU A 90 -12.154 2.331 2.432 1.00 0.00 O ATOM 0 H GLU A 90 -10.921 2.808 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.704 2.399 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.661 3.632 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.023 2.125 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.438 2.196 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.194 1.005 0.585 1.00 0.00 H new ATOM 207 N ALA A 91 -10.809 -0.063 0.331 1.00 0.00 N ATOM 208 CA ALA A 91 -10.658 -1.557 0.324 1.00 0.00 C ATOM 209 C ALA A 91 -11.839 -2.233 -0.386 1.00 0.00 C ATOM 210 O ALA A 91 -12.773 -1.584 -0.815 1.00 0.00 O ATOM 211 CB ALA A 91 -10.625 -1.967 1.802 1.00 0.00 C ATOM 0 H ALA A 91 -10.760 0.367 1.255 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.759 -1.861 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.516 -3.049 1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.782 -1.482 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.553 -1.661 2.285 1.00 0.00 H new ATOM 285 N ASP A 96 -7.843 -6.432 2.664 1.00 0.00 N ATOM 286 CA ASP A 96 -7.753 -5.248 1.762 1.00 0.00 C ATOM 287 C ASP A 96 -7.265 -4.039 2.564 1.00 0.00 C ATOM 288 O ASP A 96 -7.079 -4.127 3.765 1.00 0.00 O ATOM 289 CB ASP A 96 -9.176 -5.033 1.226 1.00 0.00 C ATOM 290 CG ASP A 96 -10.177 -4.849 2.380 1.00 0.00 C ATOM 291 OD1 ASP A 96 -9.741 -4.702 3.512 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.364 -4.861 2.107 1.00 0.00 O ATOM 0 HA ASP A 96 -7.050 -5.391 0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.196 -4.156 0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.472 -5.886 0.616 1.00 0.00 H new ATOM 297 N LEU A 97 -7.041 -2.920 1.921 1.00 0.00 N ATOM 298 CA LEU A 97 -6.546 -1.720 2.667 1.00 0.00 C ATOM 299 C LEU A 97 -6.926 -0.424 1.942 1.00 0.00 C ATOM 300 O LEU A 97 -6.601 -0.230 0.785 1.00 0.00 O ATOM 301 CB LEU A 97 -5.025 -1.895 2.709 1.00 0.00 C ATOM 302 CG LEU A 97 -4.374 -0.716 3.443 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.878 -0.654 4.888 1.00 0.00 C ATOM 304 CD2 LEU A 97 -2.853 -0.898 3.444 1.00 0.00 C ATOM 0 H LEU A 97 -7.178 -2.785 0.919 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.983 -1.646 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.773 -2.829 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.632 -1.963 1.695 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.636 0.211 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.410 0.186 5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.960 -0.524 4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.623 -1.581 5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.387 -0.062 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.598 -1.829 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.490 -0.933 2.417 1.00 0.00 H new ATOM 316 N SER A 98 -7.598 0.466 2.627 1.00 0.00 N ATOM 317 CA SER A 98 -7.996 1.763 2.002 1.00 0.00 C ATOM 318 C SER A 98 -6.969 2.841 2.330 1.00 0.00 C ATOM 319 O SER A 98 -6.834 3.254 3.467 1.00 0.00 O ATOM 320 CB SER A 98 -9.332 2.137 2.635 1.00 0.00 C ATOM 321 OG SER A 98 -10.106 0.967 2.859 1.00 0.00 O ATOM 0 H SER A 98 -7.889 0.349 3.597 1.00 0.00 H new ATOM 0 HA SER A 98 -8.062 1.676 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.164 2.658 3.577 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.874 2.823 1.983 1.00 0.00 H new ATOM 0 HG SER A 98 -11.020 1.221 3.106 1.00 0.00 H new ATOM 327 N PHE A 99 -6.267 3.315 1.342 1.00 0.00 N ATOM 328 CA PHE A 99 -5.259 4.393 1.590 1.00 0.00 C ATOM 329 C PHE A 99 -5.741 5.709 0.979 1.00 0.00 C ATOM 330 O PHE A 99 -6.870 5.815 0.530 1.00 0.00 O ATOM 331 CB PHE A 99 -3.935 3.923 0.962 1.00 0.00 C ATOM 332 CG PHE A 99 -4.126 3.412 -0.450 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.249 4.316 -1.508 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.141 2.033 -0.700 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.388 3.847 -2.819 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.288 1.562 -2.011 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.409 2.470 -3.072 1.00 0.00 C ATOM 0 H PHE A 99 -6.344 3.007 0.373 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.118 4.574 2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.224 4.749 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.502 3.134 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.237 5.378 -1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.039 1.334 0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.479 4.547 -3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.308 0.500 -2.204 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.518 2.108 -4.084 1.00 0.00 H new ATOM 347 N GLN A 100 -4.912 6.721 0.991 1.00 0.00 N ATOM 348 CA GLN A 100 -5.341 8.040 0.446 1.00 0.00 C ATOM 349 C GLN A 100 -4.397 8.542 -0.651 1.00 0.00 C ATOM 350 O GLN A 100 -3.449 7.891 -1.035 1.00 0.00 O ATOM 351 CB GLN A 100 -5.337 8.993 1.648 1.00 0.00 C ATOM 352 CG GLN A 100 -6.704 9.667 1.773 1.00 0.00 C ATOM 353 CD GLN A 100 -7.017 9.922 3.249 1.00 0.00 C ATOM 354 OE1 GLN A 100 -7.236 8.996 4.005 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.047 11.149 3.696 1.00 0.00 N ATOM 0 H GLN A 100 -3.959 6.690 1.354 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.323 7.971 -0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.107 8.443 2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.559 9.746 1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.709 10.607 1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.474 9.035 1.331 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.863 11.927 3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.254 11.329 4.678 1.00 0.00 H new ATOM 364 N LYS A 101 -4.715 9.687 -1.182 1.00 0.00 N ATOM 365 CA LYS A 101 -3.925 10.286 -2.304 1.00 0.00 C ATOM 366 C LYS A 101 -2.465 10.583 -1.971 1.00 0.00 C ATOM 367 O LYS A 101 -1.642 10.731 -2.854 1.00 0.00 O ATOM 368 CB LYS A 101 -4.655 11.573 -2.627 1.00 0.00 C ATOM 369 CG LYS A 101 -4.146 12.116 -3.949 1.00 0.00 C ATOM 370 CD LYS A 101 -5.285 12.842 -4.659 1.00 0.00 C ATOM 371 CE LYS A 101 -6.292 11.813 -5.188 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.521 12.598 -5.488 1.00 0.00 N ATOM 0 H LYS A 101 -5.510 10.251 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.866 9.579 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.728 11.392 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.496 12.304 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.312 12.798 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.772 11.303 -4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.778 13.529 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.893 13.440 -5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.915 11.314 -6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.490 11.037 -4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.258 11.963 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.861 13.056 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.304 13.324 -6.200 1.00 0.00 H new ATOM 386 N GLY A 102 -2.150 10.698 -0.731 1.00 0.00 N ATOM 387 CA GLY A 102 -0.743 11.010 -0.331 1.00 0.00 C ATOM 388 C GLY A 102 -0.387 10.197 0.902 1.00 0.00 C ATOM 389 O GLY A 102 0.242 10.686 1.821 1.00 0.00 O ATOM 0 H GLY A 102 -2.804 10.591 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.059 10.776 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.638 12.075 -0.123 1.00 0.00 H new ATOM 393 N ASP A 103 -0.796 8.960 0.929 1.00 0.00 N ATOM 394 CA ASP A 103 -0.491 8.101 2.126 1.00 0.00 C ATOM 395 C ASP A 103 0.824 7.340 1.969 1.00 0.00 C ATOM 396 O ASP A 103 1.346 7.192 0.888 1.00 0.00 O ATOM 397 CB ASP A 103 -1.652 7.121 2.255 1.00 0.00 C ATOM 398 CG ASP A 103 -2.731 7.723 3.159 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.978 8.912 3.042 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.289 6.983 3.952 1.00 0.00 O ATOM 0 H ASP A 103 -1.324 8.502 0.186 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.378 8.723 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.068 6.902 1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.300 6.177 2.670 1.00 0.00 H new ATOM 405 N GLN A 104 1.335 6.825 3.053 1.00 0.00 N ATOM 406 CA GLN A 104 2.586 6.033 3.005 1.00 0.00 C ATOM 407 C GLN A 104 2.310 4.638 3.552 1.00 0.00 C ATOM 408 O GLN A 104 1.657 4.478 4.566 1.00 0.00 O ATOM 409 CB GLN A 104 3.579 6.772 3.899 1.00 0.00 C ATOM 410 CG GLN A 104 4.369 7.782 3.066 1.00 0.00 C ATOM 411 CD GLN A 104 5.803 7.850 3.592 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.304 8.916 3.890 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.486 6.744 3.725 1.00 0.00 N ATOM 0 H GLN A 104 0.928 6.924 3.983 1.00 0.00 H new ATOM 0 HA GLN A 104 2.975 5.926 1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.049 7.284 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.259 6.061 4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.367 7.488 2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.901 8.765 3.122 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.063 5.850 3.474 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.442 6.774 4.080 1.00 0.00 H new ATOM 422 N MET A 105 2.797 3.635 2.884 1.00 0.00 N ATOM 423 CA MET A 105 2.565 2.241 3.347 1.00 0.00 C ATOM 424 C MET A 105 3.829 1.420 3.150 1.00 0.00 C ATOM 425 O MET A 105 4.622 1.684 2.270 1.00 0.00 O ATOM 426 CB MET A 105 1.437 1.710 2.458 1.00 0.00 C ATOM 427 CG MET A 105 0.178 2.558 2.659 1.00 0.00 C ATOM 428 SD MET A 105 -1.197 1.829 1.735 1.00 0.00 S ATOM 429 CE MET A 105 -0.708 2.412 0.093 1.00 0.00 C ATOM 0 H MET A 105 3.350 3.720 2.031 1.00 0.00 H new ATOM 0 HA MET A 105 2.305 2.189 4.404 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.742 1.737 1.412 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.228 0.668 2.702 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.071 2.613 3.719 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.357 3.579 2.321 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.541 2.290 -0.599 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.433 3.465 0.148 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.145 1.832 -0.260 1.00 0.00 H new ATOM 439 N VAL A 106 4.012 0.421 3.958 1.00 0.00 N ATOM 440 CA VAL A 106 5.209 -0.447 3.818 1.00 0.00 C ATOM 441 C VAL A 106 4.754 -1.713 3.112 1.00 0.00 C ATOM 442 O VAL A 106 3.637 -2.142 3.282 1.00 0.00 O ATOM 443 CB VAL A 106 5.663 -0.768 5.244 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.962 -1.582 5.222 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.882 0.535 6.032 1.00 0.00 C ATOM 0 H VAL A 106 3.379 0.165 4.716 1.00 0.00 H new ATOM 0 HA VAL A 106 6.021 0.013 3.255 1.00 0.00 H new ATOM 0 HB VAL A 106 4.886 -1.358 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.271 -1.802 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.797 -2.516 4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.743 -1.008 4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.205 0.297 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.647 1.134 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.949 1.098 6.071 1.00 0.00 H new ATOM 455 N VAL A 107 5.589 -2.319 2.333 1.00 0.00 N ATOM 456 CA VAL A 107 5.158 -3.565 1.623 1.00 0.00 C ATOM 457 C VAL A 107 5.580 -4.798 2.422 1.00 0.00 C ATOM 458 O VAL A 107 6.665 -4.872 2.965 1.00 0.00 O ATOM 459 CB VAL A 107 5.814 -3.536 0.234 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.477 -4.823 -0.532 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.276 -2.339 -0.554 1.00 0.00 C ATOM 0 H VAL A 107 6.546 -2.018 2.150 1.00 0.00 H new ATOM 0 HA VAL A 107 4.074 -3.614 1.522 1.00 0.00 H new ATOM 0 HB VAL A 107 6.894 -3.455 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 107 5.946 -4.794 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.849 -5.684 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.396 -4.905 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.739 -2.315 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.195 -2.431 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.510 -1.418 -0.021 1.00 0.00 H new ATOM 471 N LEU A 108 4.721 -5.767 2.468 1.00 0.00 N ATOM 472 CA LEU A 108 5.018 -7.028 3.193 1.00 0.00 C ATOM 473 C LEU A 108 5.522 -8.069 2.185 1.00 0.00 C ATOM 474 O LEU A 108 6.276 -8.962 2.519 1.00 0.00 O ATOM 475 CB LEU A 108 3.665 -7.471 3.769 1.00 0.00 C ATOM 476 CG LEU A 108 3.274 -6.605 4.974 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.437 -5.420 4.502 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.445 -7.445 5.957 1.00 0.00 C ATOM 0 H LEU A 108 3.803 -5.739 2.024 1.00 0.00 H new ATOM 0 HA LEU A 108 5.775 -6.910 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.896 -7.399 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.718 -8.517 4.070 1.00 0.00 H new ATOM 0 HG LEU A 108 4.177 -6.243 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.160 -4.806 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.017 -4.822 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.535 -5.784 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.166 -6.832 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.544 -7.804 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.036 -8.296 6.296 1.00 0.00 H new ATOM 490 N GLU A 109 5.106 -7.946 0.948 1.00 0.00 N ATOM 491 CA GLU A 109 5.541 -8.908 -0.107 1.00 0.00 C ATOM 492 C GLU A 109 5.435 -8.250 -1.487 1.00 0.00 C ATOM 493 O GLU A 109 4.731 -7.274 -1.662 1.00 0.00 O ATOM 494 CB GLU A 109 4.564 -10.082 -0.005 1.00 0.00 C ATOM 495 CG GLU A 109 4.957 -10.984 1.169 1.00 0.00 C ATOM 496 CD GLU A 109 4.197 -12.313 1.081 1.00 0.00 C ATOM 497 OE1 GLU A 109 3.889 -12.728 -0.025 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.937 -12.893 2.123 1.00 0.00 O ATOM 0 H GLU A 109 4.477 -7.212 0.623 1.00 0.00 H new ATOM 0 HA GLU A 109 6.575 -9.226 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.549 -9.711 0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.570 -10.654 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.031 -11.167 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.731 -10.487 2.113 1.00 0.00 H new ATOM 505 N GLU A 110 6.110 -8.790 -2.470 1.00 0.00 N ATOM 506 CA GLU A 110 6.033 -8.213 -3.851 1.00 0.00 C ATOM 507 C GLU A 110 5.212 -9.140 -4.757 1.00 0.00 C ATOM 508 O GLU A 110 5.282 -10.349 -4.638 1.00 0.00 O ATOM 509 CB GLU A 110 7.480 -8.140 -4.337 1.00 0.00 C ATOM 510 CG GLU A 110 8.247 -7.107 -3.511 1.00 0.00 C ATOM 511 CD GLU A 110 9.748 -7.360 -3.650 1.00 0.00 C ATOM 512 OE1 GLU A 110 10.288 -7.044 -4.698 1.00 0.00 O ATOM 513 OE2 GLU A 110 10.332 -7.865 -2.706 1.00 0.00 O ATOM 0 H GLU A 110 6.713 -9.607 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 110 5.552 -7.235 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.954 -9.117 -4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.507 -7.869 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 110 8.004 -6.100 -3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.952 -7.170 -2.464 1.00 0.00 H new ATOM 520 N SER A 111 4.438 -8.587 -5.658 1.00 0.00 N ATOM 521 CA SER A 111 3.617 -9.442 -6.571 1.00 0.00 C ATOM 522 C SER A 111 3.347 -8.708 -7.892 1.00 0.00 C ATOM 523 O SER A 111 4.082 -7.818 -8.277 1.00 0.00 O ATOM 524 CB SER A 111 2.313 -9.696 -5.815 1.00 0.00 C ATOM 525 OG SER A 111 1.463 -10.515 -6.606 1.00 0.00 O ATOM 0 H SER A 111 4.339 -7.582 -5.801 1.00 0.00 H new ATOM 0 HA SER A 111 4.123 -10.373 -6.828 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.521 -10.182 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.820 -8.750 -5.590 1.00 0.00 H new ATOM 0 HG SER A 111 0.627 -10.681 -6.123 1.00 0.00 H new ATOM 531 N GLY A 112 2.302 -9.082 -8.587 1.00 0.00 N ATOM 532 CA GLY A 112 1.978 -8.418 -9.886 1.00 0.00 C ATOM 533 C GLY A 112 1.616 -6.951 -9.643 1.00 0.00 C ATOM 534 O GLY A 112 2.443 -6.159 -9.232 1.00 0.00 O ATOM 0 H GLY A 112 1.657 -9.822 -8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.831 -8.484 -10.561 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.147 -8.932 -10.370 1.00 0.00 H new ATOM 538 N GLU A 113 0.385 -6.589 -9.896 1.00 0.00 N ATOM 539 CA GLU A 113 -0.048 -5.175 -9.684 1.00 0.00 C ATOM 540 C GLU A 113 -0.689 -5.009 -8.299 1.00 0.00 C ATOM 541 O GLU A 113 -0.836 -3.906 -7.806 1.00 0.00 O ATOM 542 CB GLU A 113 -1.074 -4.909 -10.786 1.00 0.00 C ATOM 543 CG GLU A 113 -0.360 -4.823 -12.136 1.00 0.00 C ATOM 544 CD GLU A 113 0.173 -3.404 -12.342 1.00 0.00 C ATOM 545 OE1 GLU A 113 -0.630 -2.486 -12.346 1.00 0.00 O ATOM 546 OE2 GLU A 113 1.376 -3.259 -12.490 1.00 0.00 O ATOM 0 H GLU A 113 -0.342 -7.215 -10.242 1.00 0.00 H new ATOM 0 HA GLU A 113 0.789 -4.478 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.818 -5.706 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.608 -3.980 -10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 113 0.460 -5.540 -12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.047 -5.085 -12.940 1.00 0.00 H new ATOM 553 N TRP A 114 -1.072 -6.095 -7.671 1.00 0.00 N ATOM 554 CA TRP A 114 -1.697 -6.005 -6.321 1.00 0.00 C ATOM 555 C TRP A 114 -0.658 -6.343 -5.251 1.00 0.00 C ATOM 556 O TRP A 114 -0.355 -7.498 -5.017 1.00 0.00 O ATOM 557 CB TRP A 114 -2.810 -7.052 -6.330 1.00 0.00 C ATOM 558 CG TRP A 114 -3.903 -6.621 -7.257 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.015 -6.995 -8.553 1.00 0.00 C ATOM 560 CD2 TRP A 114 -5.039 -5.749 -6.983 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.147 -6.408 -9.091 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.812 -5.632 -8.163 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.470 -5.056 -5.836 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.971 -4.855 -8.204 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.637 -4.274 -5.873 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.387 -4.173 -7.055 1.00 0.00 C ATOM 0 H TRP A 114 -0.977 -7.041 -8.040 1.00 0.00 H new ATOM 0 HA TRP A 114 -2.079 -5.008 -6.102 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.412 -8.016 -6.646 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.206 -7.184 -5.323 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.333 -7.645 -9.081 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.453 -6.534 -10.056 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -4.900 -5.126 -4.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.543 -4.781 -9.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -6.959 -3.748 -4.987 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.283 -3.570 -7.078 1.00 0.00 H new ATOM 577 N TRP A 115 -0.105 -5.347 -4.604 1.00 0.00 N ATOM 578 CA TRP A 115 0.921 -5.618 -3.552 1.00 0.00 C ATOM 579 C TRP A 115 0.274 -5.598 -2.165 1.00 0.00 C ATOM 580 O TRP A 115 -0.674 -4.874 -1.920 1.00 0.00 O ATOM 581 CB TRP A 115 1.943 -4.477 -3.666 1.00 0.00 C ATOM 582 CG TRP A 115 2.694 -4.527 -4.972 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.673 -5.542 -5.879 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.592 -3.518 -5.519 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.500 -5.211 -6.941 1.00 0.00 N ATOM 586 CE2 TRP A 115 4.088 -3.973 -6.765 1.00 0.00 C ATOM 587 CE3 TRP A 115 4.019 -2.260 -5.055 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.977 -3.206 -7.523 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.912 -1.486 -5.814 1.00 0.00 C ATOM 590 CH2 TRP A 115 5.390 -1.958 -7.045 1.00 0.00 C ATOM 0 H TRP A 115 -0.319 -4.362 -4.758 1.00 0.00 H new ATOM 0 HA TRP A 115 1.384 -6.596 -3.685 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.430 -3.519 -3.578 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.649 -4.537 -2.838 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.105 -6.456 -5.786 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.656 -5.808 -7.753 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.657 -1.887 -4.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.342 -3.574 -8.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 5.232 -0.522 -5.448 1.00 0.00 H new ATOM 0 HH2 TRP A 115 6.077 -1.358 -7.624 1.00 0.00 H new ATOM 601 N LYS A 116 0.799 -6.378 -1.254 1.00 0.00 N ATOM 602 CA LYS A 116 0.242 -6.416 0.133 1.00 0.00 C ATOM 603 C LYS A 116 1.086 -5.516 1.042 1.00 0.00 C ATOM 604 O LYS A 116 2.232 -5.818 1.310 1.00 0.00 O ATOM 605 CB LYS A 116 0.371 -7.881 0.564 1.00 0.00 C ATOM 606 CG LYS A 116 -0.923 -8.337 1.239 1.00 0.00 C ATOM 607 CD LYS A 116 -0.772 -9.790 1.694 1.00 0.00 C ATOM 608 CE LYS A 116 -1.531 -9.994 3.005 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.778 -11.459 3.076 1.00 0.00 N ATOM 0 H LYS A 116 1.596 -6.995 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.788 -6.065 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.580 -8.508 -0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.210 -7.995 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.146 -7.698 2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.760 -8.246 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.158 -10.464 0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.282 -10.032 1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.947 -9.649 3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.466 -9.434 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.296 -11.682 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.341 -11.756 2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.869 -11.965 3.074 1.00 0.00 H new ATOM 623 N ALA A 117 0.547 -4.412 1.507 1.00 0.00 N ATOM 624 CA ALA A 117 1.358 -3.501 2.374 1.00 0.00 C ATOM 625 C ALA A 117 0.652 -3.175 3.697 1.00 0.00 C ATOM 626 O ALA A 117 -0.518 -3.453 3.887 1.00 0.00 O ATOM 627 CB ALA A 117 1.521 -2.228 1.548 1.00 0.00 C ATOM 0 H ALA A 117 -0.409 -4.106 1.325 1.00 0.00 H new ATOM 0 HA ALA A 117 2.306 -3.964 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.107 -1.501 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.034 -2.463 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.539 -1.809 1.327 1.00 0.00 H new ATOM 633 N ARG A 118 1.372 -2.566 4.608 1.00 0.00 N ATOM 634 CA ARG A 118 0.793 -2.194 5.918 1.00 0.00 C ATOM 635 C ARG A 118 0.719 -0.669 6.037 1.00 0.00 C ATOM 636 O ARG A 118 1.723 0.017 6.016 1.00 0.00 O ATOM 637 CB ARG A 118 1.759 -2.796 6.948 1.00 0.00 C ATOM 638 CG ARG A 118 1.387 -2.351 8.371 1.00 0.00 C ATOM 639 CD ARG A 118 2.640 -1.857 9.107 1.00 0.00 C ATOM 640 NE ARG A 118 2.211 -1.634 10.522 1.00 0.00 N ATOM 641 CZ ARG A 118 3.088 -1.364 11.470 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.376 -1.302 11.219 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.670 -1.165 12.689 1.00 0.00 N ATOM 0 H ARG A 118 2.352 -2.311 4.488 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.223 -2.562 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.734 -3.884 6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.779 -2.487 6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.642 -1.557 8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.938 -3.182 8.916 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.443 -2.592 9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.019 -0.937 8.662 1.00 0.00 H new ATOM 0 HE ARG A 118 1.221 -1.692 10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.720 -1.465 10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.033 -1.091 11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.674 -1.219 12.902 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.339 -0.956 13.430 1.00 0.00 H new ATOM 657 N SER A 119 -0.468 -0.144 6.181 1.00 0.00 N ATOM 658 CA SER A 119 -0.629 1.329 6.324 1.00 0.00 C ATOM 659 C SER A 119 -0.140 1.757 7.707 1.00 0.00 C ATOM 660 O SER A 119 -0.702 1.372 8.722 1.00 0.00 O ATOM 661 CB SER A 119 -2.126 1.591 6.181 1.00 0.00 C ATOM 662 OG SER A 119 -2.347 2.991 6.071 1.00 0.00 O ATOM 0 H SER A 119 -1.337 -0.677 6.206 1.00 0.00 H new ATOM 0 HA SER A 119 -0.056 1.886 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.514 1.079 5.301 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.661 1.193 7.043 1.00 0.00 H new ATOM 0 HG SER A 119 -3.307 3.164 5.977 1.00 0.00 H new ATOM 668 N LEU A 120 0.906 2.542 7.747 1.00 0.00 N ATOM 669 CA LEU A 120 1.459 3.003 9.056 1.00 0.00 C ATOM 670 C LEU A 120 0.473 3.951 9.739 1.00 0.00 C ATOM 671 O LEU A 120 0.444 4.061 10.951 1.00 0.00 O ATOM 672 CB LEU A 120 2.755 3.745 8.711 1.00 0.00 C ATOM 673 CG LEU A 120 3.723 2.798 7.995 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.535 3.583 6.963 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.673 2.169 9.017 1.00 0.00 C ATOM 0 H LEU A 120 1.403 2.885 6.925 1.00 0.00 H new ATOM 0 HA LEU A 120 1.636 2.172 9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.535 4.603 8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.216 4.131 9.620 1.00 0.00 H new ATOM 0 HG LEU A 120 3.157 2.013 7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.224 2.909 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.860 4.032 6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.100 4.368 7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.362 1.495 8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.238 2.954 9.519 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.096 1.609 9.753 1.00 0.00 H new ATOM 687 N ALA A 121 -0.332 4.640 8.969 1.00 0.00 N ATOM 688 CA ALA A 121 -1.322 5.588 9.569 1.00 0.00 C ATOM 689 C ALA A 121 -2.263 4.844 10.524 1.00 0.00 C ATOM 690 O ALA A 121 -2.826 5.428 11.430 1.00 0.00 O ATOM 691 CB ALA A 121 -2.101 6.164 8.384 1.00 0.00 C ATOM 0 H ALA A 121 -0.347 4.587 7.950 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.836 6.371 10.151 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.848 6.870 8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.414 6.677 7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.597 5.355 7.847 1.00 0.00 H new ATOM 697 N THR A 122 -2.431 3.558 10.330 1.00 0.00 N ATOM 698 CA THR A 122 -3.328 2.770 11.228 1.00 0.00 C ATOM 699 C THR A 122 -2.691 1.416 11.584 1.00 0.00 C ATOM 700 O THR A 122 -3.340 0.552 12.143 1.00 0.00 O ATOM 701 CB THR A 122 -4.614 2.564 10.422 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.293 2.010 9.155 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.326 3.906 10.227 1.00 0.00 C ATOM 0 H THR A 122 -1.984 3.021 9.587 1.00 0.00 H new ATOM 0 HA THR A 122 -3.512 3.283 12.172 1.00 0.00 H new ATOM 0 HB THR A 122 -5.272 1.884 10.963 1.00 0.00 H new ATOM 0 HG1 THR A 122 -4.853 2.424 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.240 3.753 9.653 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.575 4.330 11.200 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.670 4.591 9.689 1.00 0.00 H new ATOM 711 N ARG A 123 -1.425 1.219 11.266 1.00 0.00 N ATOM 712 CA ARG A 123 -0.744 -0.085 11.579 1.00 0.00 C ATOM 713 C ARG A 123 -1.550 -1.261 11.019 1.00 0.00 C ATOM 714 O ARG A 123 -1.472 -2.368 11.517 1.00 0.00 O ATOM 715 CB ARG A 123 -0.690 -0.168 13.108 1.00 0.00 C ATOM 716 CG ARG A 123 0.165 0.974 13.659 1.00 0.00 C ATOM 717 CD ARG A 123 0.854 0.519 14.949 1.00 0.00 C ATOM 718 NE ARG A 123 -0.169 0.709 16.027 1.00 0.00 N ATOM 719 CZ ARG A 123 0.022 0.234 17.243 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.114 -0.420 17.565 1.00 0.00 N ATOM 721 NH2 ARG A 123 -0.899 0.415 18.148 1.00 0.00 N ATOM 0 H ARG A 123 -0.834 1.909 10.802 1.00 0.00 H new ATOM 0 HA ARG A 123 0.249 -0.132 11.133 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.697 -0.112 13.520 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.273 -1.127 13.415 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.910 1.273 12.922 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.458 1.847 13.855 1.00 0.00 H new ATOM 0 HD2 ARG A 123 1.167 -0.523 14.882 1.00 0.00 H new ATOM 0 HD3 ARG A 123 1.749 1.109 15.147 1.00 0.00 H new ATOM 0 HE ARG A 123 -1.029 1.215 15.817 1.00 0.00 H new ATOM 0 HH11 ARG A 123 1.842 -0.572 16.867 1.00 0.00 H new ATOM 0 HH12 ARG A 123 1.234 -0.776 18.513 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.754 0.918 17.912 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -0.764 0.053 19.092 1.00 0.00 H new ATOM 735 N LYS A 124 -2.307 -1.031 9.977 1.00 0.00 N ATOM 736 CA LYS A 124 -3.106 -2.138 9.370 1.00 0.00 C ATOM 737 C LYS A 124 -2.399 -2.618 8.115 1.00 0.00 C ATOM 738 O LYS A 124 -1.406 -2.055 7.727 1.00 0.00 O ATOM 739 CB LYS A 124 -4.452 -1.521 9.006 1.00 0.00 C ATOM 740 CG LYS A 124 -5.171 -1.051 10.271 1.00 0.00 C ATOM 741 CD LYS A 124 -6.673 -0.959 9.993 1.00 0.00 C ATOM 742 CE LYS A 124 -6.973 0.330 9.224 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.090 -0.021 8.301 1.00 0.00 N ATOM 0 H LYS A 124 -2.406 -0.124 9.520 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.226 -2.986 10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.305 -0.680 8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.066 -2.252 8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.983 -1.746 11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.787 -0.080 10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -7.000 -1.824 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -7.229 -0.973 10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.259 1.136 9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.098 0.673 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.352 0.814 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -7.787 -0.785 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.912 -0.337 8.855 1.00 0.00 H new ATOM 757 N GLU A 125 -2.903 -3.633 7.466 1.00 0.00 N ATOM 758 CA GLU A 125 -2.237 -4.108 6.219 1.00 0.00 C ATOM 759 C GLU A 125 -3.218 -4.838 5.312 1.00 0.00 C ATOM 760 O GLU A 125 -4.092 -5.554 5.761 1.00 0.00 O ATOM 761 CB GLU A 125 -1.093 -5.021 6.675 1.00 0.00 C ATOM 762 CG GLU A 125 -1.633 -6.185 7.506 1.00 0.00 C ATOM 763 CD GLU A 125 -1.623 -5.804 8.988 1.00 0.00 C ATOM 764 OE1 GLU A 125 -0.643 -5.223 9.422 1.00 0.00 O ATOM 765 OE2 GLU A 125 -2.594 -6.103 9.663 1.00 0.00 O ATOM 0 H GLU A 125 -3.738 -4.149 7.741 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.858 -3.275 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.558 -5.405 5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.376 -4.449 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.647 -6.431 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.024 -7.074 7.344 1.00 0.00 H new ATOM 772 N GLY A 126 -3.068 -4.652 4.028 1.00 0.00 N ATOM 773 CA GLY A 126 -3.977 -5.323 3.063 1.00 0.00 C ATOM 774 C GLY A 126 -3.422 -5.179 1.645 1.00 0.00 C ATOM 775 O GLY A 126 -2.230 -5.051 1.446 1.00 0.00 O ATOM 0 H GLY A 126 -2.351 -4.061 3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.079 -6.378 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.973 -4.883 3.120 1.00 0.00 H new ATOM 779 N TYR A 127 -4.287 -5.190 0.664 1.00 0.00 N ATOM 780 CA TYR A 127 -3.839 -5.067 -0.759 1.00 0.00 C ATOM 781 C TYR A 127 -3.885 -3.605 -1.208 1.00 0.00 C ATOM 782 O TYR A 127 -4.588 -2.792 -0.639 1.00 0.00 O ATOM 783 CB TYR A 127 -4.855 -5.871 -1.587 1.00 0.00 C ATOM 784 CG TYR A 127 -5.030 -7.269 -1.041 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.981 -8.195 -1.106 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.256 -7.639 -0.483 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.163 -9.492 -0.609 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.439 -8.931 0.017 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.393 -9.860 -0.046 1.00 0.00 C ATOM 790 OH TYR A 127 -5.573 -11.139 0.440 1.00 0.00 O ATOM 0 H TYR A 127 -5.295 -5.280 0.788 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.818 -5.428 -0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.816 -5.356 -1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.522 -5.923 -2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.033 -7.909 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.065 -6.925 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.356 -10.208 -0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.387 -9.213 0.452 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.481 -11.229 0.797 1.00 0.00 H new ATOM 800 N ILE A 128 -3.141 -3.277 -2.231 1.00 0.00 N ATOM 801 CA ILE A 128 -3.125 -1.872 -2.746 1.00 0.00 C ATOM 802 C ILE A 128 -2.707 -1.865 -4.228 1.00 0.00 C ATOM 803 O ILE A 128 -1.597 -2.240 -4.546 1.00 0.00 O ATOM 804 CB ILE A 128 -2.099 -1.104 -1.895 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.801 -1.918 -1.738 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.696 -0.821 -0.515 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.413 -0.989 -1.830 1.00 0.00 C ATOM 0 H ILE A 128 -2.538 -3.926 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.110 -1.410 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.860 -0.166 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.801 -2.437 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.745 -2.682 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.971 -0.277 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.600 -0.221 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.943 -1.763 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.327 -1.572 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.417 -0.491 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.360 -0.242 -1.038 1.00 0.00 H new ATOM 819 N PRO A 129 -3.605 -1.454 -5.105 1.00 0.00 N ATOM 820 CA PRO A 129 -3.278 -1.427 -6.559 1.00 0.00 C ATOM 821 C PRO A 129 -2.007 -0.611 -6.821 1.00 0.00 C ATOM 822 O PRO A 129 -2.018 0.605 -6.794 1.00 0.00 O ATOM 823 CB PRO A 129 -4.490 -0.754 -7.200 1.00 0.00 C ATOM 824 CG PRO A 129 -5.603 -0.936 -6.219 1.00 0.00 C ATOM 825 CD PRO A 129 -4.979 -0.989 -4.851 1.00 0.00 C ATOM 0 HA PRO A 129 -3.086 -2.422 -6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.300 0.303 -7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.732 -1.210 -8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.315 -0.113 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.155 -1.853 -6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.987 -0.011 -4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.516 -1.672 -4.193 1.00 0.00 H new ATOM 833 N SER A 130 -0.913 -1.282 -7.082 1.00 0.00 N ATOM 834 CA SER A 130 0.375 -0.564 -7.346 1.00 0.00 C ATOM 835 C SER A 130 0.286 0.301 -8.613 1.00 0.00 C ATOM 836 O SER A 130 1.150 1.122 -8.861 1.00 0.00 O ATOM 837 CB SER A 130 1.423 -1.663 -7.525 1.00 0.00 C ATOM 838 OG SER A 130 1.201 -2.685 -6.562 1.00 0.00 O ATOM 0 H SER A 130 -0.855 -2.299 -7.124 1.00 0.00 H new ATOM 0 HA SER A 130 0.623 0.114 -6.529 1.00 0.00 H new ATOM 0 HB2 SER A 130 1.364 -2.077 -8.532 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.425 -1.249 -7.408 1.00 0.00 H new ATOM 0 HG SER A 130 2.002 -3.244 -6.488 1.00 0.00 H new ATOM 844 N ASN A 131 -0.740 0.131 -9.418 1.00 0.00 N ATOM 845 CA ASN A 131 -0.860 0.960 -10.659 1.00 0.00 C ATOM 846 C ASN A 131 -1.131 2.437 -10.315 1.00 0.00 C ATOM 847 O ASN A 131 -1.088 3.293 -11.177 1.00 0.00 O ATOM 848 CB ASN A 131 -2.032 0.352 -11.441 1.00 0.00 C ATOM 849 CG ASN A 131 -3.316 0.388 -10.599 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.530 1.296 -9.820 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.189 -0.575 -10.727 1.00 0.00 N ATOM 0 H ASN A 131 -1.493 -0.541 -9.269 1.00 0.00 H new ATOM 0 HA ASN A 131 0.062 0.951 -11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.183 0.904 -12.369 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.799 -0.677 -11.716 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.046 -0.563 -10.174 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.014 -1.339 -11.380 1.00 0.00 H new ATOM 858 N TYR A 132 -1.396 2.742 -9.065 1.00 0.00 N ATOM 859 CA TYR A 132 -1.648 4.161 -8.657 1.00 0.00 C ATOM 860 C TYR A 132 -0.818 4.460 -7.403 1.00 0.00 C ATOM 861 O TYR A 132 -1.248 5.163 -6.507 1.00 0.00 O ATOM 862 CB TYR A 132 -3.143 4.225 -8.326 1.00 0.00 C ATOM 863 CG TYR A 132 -3.946 4.510 -9.576 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.652 5.630 -10.366 1.00 0.00 C ATOM 865 CD2 TYR A 132 -4.991 3.652 -9.942 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.402 5.889 -11.520 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.741 3.913 -11.095 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.446 5.030 -11.884 1.00 0.00 C ATOM 869 OH TYR A 132 -6.186 5.286 -13.021 1.00 0.00 O ATOM 0 H TYR A 132 -1.449 2.063 -8.306 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.378 4.882 -9.429 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.466 3.282 -7.886 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.325 5.002 -7.584 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.847 6.293 -10.085 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.218 2.789 -9.334 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.175 6.751 -12.129 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.548 3.252 -11.375 1.00 0.00 H new ATOM 0 HH TYR A 132 -6.870 4.593 -13.129 1.00 0.00 H new ATOM 879 N VAL A 133 0.362 3.897 -7.330 1.00 0.00 N ATOM 880 CA VAL A 133 1.233 4.098 -6.137 1.00 0.00 C ATOM 881 C VAL A 133 2.694 4.274 -6.579 1.00 0.00 C ATOM 882 O VAL A 133 3.017 4.118 -7.741 1.00 0.00 O ATOM 883 CB VAL A 133 1.045 2.801 -5.336 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.962 2.776 -4.117 1.00 0.00 C ATOM 885 CG2 VAL A 133 -0.408 2.701 -4.868 1.00 0.00 C ATOM 0 H VAL A 133 0.761 3.301 -8.055 1.00 0.00 H new ATOM 0 HA VAL A 133 0.982 4.985 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 133 1.295 1.958 -5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.810 1.848 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 133 3.001 2.840 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 133 1.731 3.623 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -0.545 1.781 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.647 3.557 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -1.070 2.693 -5.734 1.00 0.00 H new ATOM 895 N ALA A 134 3.575 4.598 -5.663 1.00 0.00 N ATOM 896 CA ALA A 134 5.015 4.782 -6.030 1.00 0.00 C ATOM 897 C ALA A 134 5.918 4.060 -5.024 1.00 0.00 C ATOM 898 O ALA A 134 5.777 4.220 -3.826 1.00 0.00 O ATOM 899 CB ALA A 134 5.258 6.294 -5.977 1.00 0.00 C ATOM 0 H ALA A 134 3.359 4.743 -4.677 1.00 0.00 H new ATOM 0 HA ALA A 134 5.240 4.369 -7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.296 6.505 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.599 6.794 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.053 6.660 -4.971 1.00 0.00 H new ATOM 905 N ARG A 135 6.834 3.256 -5.502 1.00 0.00 N ATOM 906 CA ARG A 135 7.738 2.511 -4.583 1.00 0.00 C ATOM 907 C ARG A 135 8.952 3.347 -4.172 1.00 0.00 C ATOM 908 O ARG A 135 9.575 4.009 -4.979 1.00 0.00 O ATOM 909 CB ARG A 135 8.193 1.303 -5.386 1.00 0.00 C ATOM 910 CG ARG A 135 8.374 0.113 -4.449 1.00 0.00 C ATOM 911 CD ARG A 135 9.858 -0.064 -4.113 1.00 0.00 C ATOM 912 NE ARG A 135 10.457 -0.749 -5.301 1.00 0.00 N ATOM 913 CZ ARG A 135 11.765 -0.842 -5.452 1.00 0.00 C ATOM 914 NH1 ARG A 135 12.597 -0.327 -4.576 1.00 0.00 N ATOM 915 NH2 ARG A 135 12.243 -1.459 -6.497 1.00 0.00 N ATOM 0 H ARG A 135 6.993 3.085 -6.495 1.00 0.00 H new ATOM 0 HA ARG A 135 7.226 2.245 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.458 1.066 -6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.130 1.524 -5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 135 7.801 0.268 -3.535 1.00 0.00 H new ATOM 0 HG3 ARG A 135 7.988 -0.792 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 135 10.337 0.898 -3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 135 9.988 -0.660 -3.210 1.00 0.00 H new ATOM 0 HE ARG A 135 9.842 -1.152 -6.008 1.00 0.00 H new ATOM 0 HH11 ARG A 135 12.237 0.159 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 135 13.604 -0.413 -4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 135 11.608 -1.863 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 135 13.252 -1.538 -6.626 1.00 0.00 H new