USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 481 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 102 HIS : no HE2:sc= -2.14 K(o=-2.5,f=-7!) USER MOD Set 1.2: A 105 ASN : amide:sc= -0.385 K(o=-2.5,f=-9.7!) USER MOD Single : A 84 HIS : no HE2:sc= -1.28 X(o=-1.3,f=-1) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 1.2 K(o=1.2,f=-5.4!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 107 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-2.6!) USER MOD Single : A 108 LYS NZ :NH3+ -172:sc= 0.643 (180deg=0.356) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 135:sc= 0.486 (180deg=-0.616) USER MOD Single : A 115 SER OG : rot 133:sc= 0.863 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc=-0.00795 USER MOD Single : A 124 MET CE :methyl 154:sc= -1.23 (180deg=-2.68!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -5:sc= 0.87 USER MOD Single : A 131 LYS NZ :NH3+ 164:sc= 1.18 (180deg=1.14) USER MOD Single : A 136 SER OG : rot 75:sc= 1.14 USER MOD Single : A 138 ASN : amide:sc= -0.37 K(o=-0.37,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 61 N ASP A 80 7.179 3.388 -4.387 1.00 0.00 N ATOM 62 CA ASP A 80 6.798 2.005 -4.187 1.00 0.00 C ATOM 63 C ASP A 80 7.592 1.364 -3.061 1.00 0.00 C ATOM 64 O ASP A 80 8.824 1.432 -3.024 1.00 0.00 O ATOM 65 CB ASP A 80 6.961 1.183 -5.485 1.00 0.00 C ATOM 66 CG ASP A 80 8.384 1.135 -5.992 1.00 0.00 C ATOM 67 OD1 ASP A 80 8.857 2.150 -6.560 1.00 0.00 O ATOM 68 OD2 ASP A 80 9.039 0.081 -5.834 1.00 0.00 O ATOM 0 HA ASP A 80 5.745 2.004 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.612 0.166 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.322 1.609 -6.258 1.00 0.00 H new ATOM 73 N LEU A 81 6.879 0.776 -2.136 1.00 0.00 N ATOM 74 CA LEU A 81 7.489 0.056 -1.039 1.00 0.00 C ATOM 75 C LEU A 81 7.393 -1.433 -1.307 1.00 0.00 C ATOM 76 O LEU A 81 6.428 -1.892 -1.899 1.00 0.00 O ATOM 77 CB LEU A 81 6.803 0.399 0.285 1.00 0.00 C ATOM 78 CG LEU A 81 7.414 -0.255 1.531 1.00 0.00 C ATOM 79 CD1 LEU A 81 8.814 0.278 1.790 1.00 0.00 C ATOM 80 CD2 LEU A 81 6.523 -0.052 2.747 1.00 0.00 C ATOM 0 H LEU A 81 5.859 0.780 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 81 8.536 0.348 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.824 1.481 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.755 0.106 0.218 1.00 0.00 H new ATOM 0 HG LEU A 81 7.488 -1.327 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.227 -0.200 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.450 0.061 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.770 1.356 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.980 -0.526 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.403 1.015 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.547 -0.500 2.561 1.00 0.00 H new ATOM 92 N ILE A 82 8.387 -2.181 -0.895 1.00 0.00 N ATOM 93 CA ILE A 82 8.382 -3.604 -1.131 1.00 0.00 C ATOM 94 C ILE A 82 7.884 -4.361 0.094 1.00 0.00 C ATOM 95 O ILE A 82 8.157 -3.973 1.233 1.00 0.00 O ATOM 96 CB ILE A 82 9.778 -4.118 -1.531 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.334 -3.280 -2.676 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.703 -5.574 -1.937 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.615 -3.820 -3.266 1.00 0.00 C ATOM 0 H ILE A 82 9.206 -1.831 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 82 7.699 -3.787 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 82 10.445 -4.029 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.583 -3.215 -3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.510 -2.266 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.696 -5.925 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.331 -6.166 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.027 -5.681 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.946 -3.168 -4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.383 -3.859 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.441 -4.823 -3.656 1.00 0.00 H new ATOM 111 N VAL A 83 7.158 -5.437 -0.151 1.00 0.00 N ATOM 112 CA VAL A 83 6.593 -6.264 0.899 1.00 0.00 C ATOM 113 C VAL A 83 6.807 -7.736 0.569 1.00 0.00 C ATOM 114 O VAL A 83 7.297 -8.070 -0.514 1.00 0.00 O ATOM 115 CB VAL A 83 5.076 -6.004 1.083 1.00 0.00 C ATOM 116 CG1 VAL A 83 4.827 -4.593 1.586 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.328 -6.248 -0.221 1.00 0.00 C ATOM 0 H VAL A 83 6.942 -5.764 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 83 7.101 -6.006 1.828 1.00 0.00 H new ATOM 0 HB VAL A 83 4.700 -6.702 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.756 -4.434 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.325 -4.456 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.221 -3.875 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.265 -6.060 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.710 -5.577 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.473 -7.281 -0.536 1.00 0.00 H new ATOM 127 N HIS A 84 6.447 -8.608 1.489 1.00 0.00 N ATOM 128 CA HIS A 84 6.605 -10.041 1.278 1.00 0.00 C ATOM 129 C HIS A 84 5.287 -10.777 1.418 1.00 0.00 C ATOM 130 O HIS A 84 4.688 -10.803 2.491 1.00 0.00 O ATOM 131 CB HIS A 84 7.640 -10.641 2.236 1.00 0.00 C ATOM 132 CG HIS A 84 9.055 -10.258 1.932 1.00 0.00 C ATOM 133 ND1 HIS A 84 9.974 -11.134 1.389 1.00 0.00 N ATOM 134 CD2 HIS A 84 9.711 -9.089 2.108 1.00 0.00 C ATOM 135 CE1 HIS A 84 11.131 -10.515 1.248 1.00 0.00 C ATOM 136 NE2 HIS A 84 10.995 -9.276 1.676 1.00 0.00 N ATOM 0 H HIS A 84 6.043 -8.354 2.391 1.00 0.00 H new ATOM 0 HA HIS A 84 6.963 -10.167 0.256 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.401 -10.328 3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.556 -11.727 2.209 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.788 -12.105 1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.298 -8.177 2.514 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.036 -10.950 0.850 1.00 0.00 H new ATOM 145 N GLU A 85 4.846 -11.368 0.330 1.00 0.00 N ATOM 146 CA GLU A 85 3.634 -12.172 0.322 1.00 0.00 C ATOM 147 C GLU A 85 4.005 -13.630 0.165 1.00 0.00 C ATOM 148 O GLU A 85 4.376 -14.062 -0.928 1.00 0.00 O ATOM 149 CB GLU A 85 2.694 -11.769 -0.820 1.00 0.00 C ATOM 150 CG GLU A 85 2.279 -10.311 -0.829 1.00 0.00 C ATOM 151 CD GLU A 85 1.764 -9.831 0.504 1.00 0.00 C ATOM 152 OE1 GLU A 85 1.118 -10.621 1.219 1.00 0.00 O ATOM 153 OE2 GLU A 85 1.978 -8.646 0.835 1.00 0.00 O ATOM 0 H GLU A 85 5.313 -11.308 -0.575 1.00 0.00 H new ATOM 0 HA GLU A 85 3.113 -12.006 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.181 -11.998 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.797 -12.385 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.132 -9.699 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.506 -10.165 -1.584 1.00 0.00 H new ATOM 160 N GLY A 86 3.933 -14.380 1.252 1.00 0.00 N ATOM 161 CA GLY A 86 4.296 -15.781 1.199 1.00 0.00 C ATOM 162 C GLY A 86 5.736 -15.971 0.768 1.00 0.00 C ATOM 163 O GLY A 86 6.033 -16.801 -0.085 1.00 0.00 O ATOM 0 H GLY A 86 3.631 -14.047 2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.147 -16.233 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.637 -16.302 0.505 1.00 0.00 H new ATOM 167 N GLY A 87 6.621 -15.182 1.350 1.00 0.00 N ATOM 168 CA GLY A 87 8.026 -15.256 1.008 1.00 0.00 C ATOM 169 C GLY A 87 8.403 -14.417 -0.207 1.00 0.00 C ATOM 170 O GLY A 87 9.506 -13.873 -0.268 1.00 0.00 O ATOM 0 H GLY A 87 6.391 -14.486 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.617 -14.928 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.291 -16.296 0.817 1.00 0.00 H new ATOM 174 N LYS A 88 7.483 -14.267 -1.156 1.00 0.00 N ATOM 175 CA LYS A 88 7.785 -13.551 -2.391 1.00 0.00 C ATOM 176 C LYS A 88 7.667 -12.057 -2.209 1.00 0.00 C ATOM 177 O LYS A 88 6.791 -11.571 -1.505 1.00 0.00 O ATOM 178 CB LYS A 88 6.888 -14.012 -3.541 1.00 0.00 C ATOM 179 CG LYS A 88 7.474 -15.140 -4.380 1.00 0.00 C ATOM 180 CD LYS A 88 7.720 -16.389 -3.559 1.00 0.00 C ATOM 181 CE LYS A 88 8.230 -17.525 -4.430 1.00 0.00 C ATOM 182 NZ LYS A 88 8.369 -18.789 -3.672 1.00 0.00 N ATOM 0 H LYS A 88 6.531 -14.628 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 88 8.819 -13.785 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.932 -14.338 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.683 -13.161 -4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.794 -15.373 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.411 -14.810 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.445 -16.175 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.796 -16.691 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.545 -17.677 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.195 -17.250 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.719 -19.536 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.042 -18.653 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.444 -19.067 -3.287 1.00 0.00 H new ATOM 196 N THR A 89 8.558 -11.343 -2.835 1.00 0.00 N ATOM 197 CA THR A 89 8.579 -9.906 -2.765 1.00 0.00 C ATOM 198 C THR A 89 7.640 -9.275 -3.780 1.00 0.00 C ATOM 199 O THR A 89 7.600 -9.681 -4.946 1.00 0.00 O ATOM 200 CB THR A 89 9.994 -9.398 -3.008 1.00 0.00 C ATOM 201 OG1 THR A 89 10.829 -10.500 -3.400 1.00 0.00 O ATOM 202 CG2 THR A 89 10.543 -8.762 -1.758 1.00 0.00 C ATOM 0 H THR A 89 9.297 -11.743 -3.413 1.00 0.00 H new ATOM 0 HA THR A 89 8.241 -9.622 -1.768 1.00 0.00 H new ATOM 0 HB THR A 89 9.976 -8.649 -3.800 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.741 -10.179 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.555 -8.404 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.909 -7.924 -1.468 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.563 -9.498 -0.954 1.00 0.00 H new ATOM 210 N TYR A 90 6.876 -8.304 -3.322 1.00 0.00 N ATOM 211 CA TYR A 90 5.969 -7.552 -4.175 1.00 0.00 C ATOM 212 C TYR A 90 6.139 -6.068 -3.921 1.00 0.00 C ATOM 213 O TYR A 90 6.564 -5.666 -2.840 1.00 0.00 O ATOM 214 CB TYR A 90 4.513 -7.958 -3.920 1.00 0.00 C ATOM 215 CG TYR A 90 4.156 -9.319 -4.461 1.00 0.00 C ATOM 216 CD1 TYR A 90 4.484 -10.472 -3.765 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.492 -9.450 -5.671 1.00 0.00 C ATOM 218 CE1 TYR A 90 4.164 -11.715 -4.256 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.165 -10.692 -6.172 1.00 0.00 C ATOM 220 CZ TYR A 90 3.503 -11.825 -5.460 1.00 0.00 C ATOM 221 OH TYR A 90 3.177 -13.070 -5.954 1.00 0.00 O ATOM 0 H TYR A 90 6.864 -8.011 -2.345 1.00 0.00 H new ATOM 0 HA TYR A 90 6.211 -7.775 -5.214 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.324 -7.943 -2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.855 -7.215 -4.369 1.00 0.00 H new ATOM 0 HD1 TYR A 90 5.000 -10.392 -2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.227 -8.565 -6.230 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.430 -12.602 -3.700 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.647 -10.778 -7.116 1.00 0.00 H new ATOM 0 HH TYR A 90 2.713 -12.970 -6.811 1.00 0.00 H new ATOM 231 N HIS A 91 5.819 -5.261 -4.908 1.00 0.00 N ATOM 232 CA HIS A 91 5.930 -3.816 -4.776 1.00 0.00 C ATOM 233 C HIS A 91 4.564 -3.195 -4.544 1.00 0.00 C ATOM 234 O HIS A 91 3.554 -3.676 -5.065 1.00 0.00 O ATOM 235 CB HIS A 91 6.577 -3.186 -6.022 1.00 0.00 C ATOM 236 CG HIS A 91 8.036 -3.486 -6.191 1.00 0.00 C ATOM 237 ND1 HIS A 91 9.006 -2.508 -6.257 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.686 -4.661 -6.339 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.182 -3.068 -6.442 1.00 0.00 C ATOM 240 NE2 HIS A 91 10.017 -4.375 -6.497 1.00 0.00 N ATOM 0 H HIS A 91 5.478 -5.577 -5.816 1.00 0.00 H new ATOM 0 HA HIS A 91 6.569 -3.615 -3.916 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.044 -3.534 -6.907 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.445 -2.105 -5.975 1.00 0.00 H new ATOM 0 HD1 HIS A 91 8.838 -1.505 -6.175 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.239 -5.644 -6.334 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.123 -2.546 -6.533 1.00 0.00 H new ATOM 249 N VAL A 92 4.533 -2.156 -3.749 1.00 0.00 N ATOM 250 CA VAL A 92 3.316 -1.429 -3.475 1.00 0.00 C ATOM 251 C VAL A 92 3.482 0.007 -3.912 1.00 0.00 C ATOM 252 O VAL A 92 4.321 0.728 -3.385 1.00 0.00 O ATOM 253 CB VAL A 92 2.971 -1.447 -1.976 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.715 -0.639 -1.705 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.819 -2.872 -1.467 1.00 0.00 C ATOM 0 H VAL A 92 5.355 -1.787 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 92 2.508 -1.912 -4.024 1.00 0.00 H new ATOM 0 HB VAL A 92 3.797 -0.986 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.489 -0.665 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.872 0.393 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.881 -1.064 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.575 -2.855 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.019 -3.371 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.753 -3.413 -1.616 1.00 0.00 H new ATOM 265 N VAL A 93 2.680 0.416 -4.849 1.00 0.00 N ATOM 266 CA VAL A 93 2.743 1.753 -5.389 1.00 0.00 C ATOM 267 C VAL A 93 1.381 2.427 -5.268 1.00 0.00 C ATOM 268 O VAL A 93 0.351 1.793 -5.486 1.00 0.00 O ATOM 269 CB VAL A 93 3.204 1.730 -6.879 1.00 0.00 C ATOM 270 CG1 VAL A 93 2.359 0.764 -7.696 1.00 0.00 C ATOM 271 CG2 VAL A 93 3.172 3.125 -7.495 1.00 0.00 C ATOM 0 H VAL A 93 1.956 -0.168 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 93 3.475 2.322 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 93 4.237 1.381 -6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.701 0.767 -8.731 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.455 -0.241 -7.285 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.314 1.073 -7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.499 3.072 -8.533 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.156 3.517 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.838 3.784 -6.938 1.00 0.00 H new ATOM 281 N CYS A 94 1.375 3.691 -4.901 1.00 0.00 N ATOM 282 CA CYS A 94 0.132 4.425 -4.767 1.00 0.00 C ATOM 283 C CYS A 94 0.007 5.479 -5.846 1.00 0.00 C ATOM 284 O CYS A 94 0.885 6.329 -6.005 1.00 0.00 O ATOM 285 CB CYS A 94 0.015 5.058 -3.385 1.00 0.00 C ATOM 286 SG CYS A 94 -0.196 3.853 -2.041 1.00 0.00 S ATOM 0 H CYS A 94 2.214 4.232 -4.690 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.687 3.715 -4.886 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.908 5.652 -3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.831 5.745 -3.381 1.00 0.00 H new ATOM 291 N HIS A 95 -1.076 5.408 -6.594 1.00 0.00 N ATOM 292 CA HIS A 95 -1.336 6.345 -7.673 1.00 0.00 C ATOM 293 C HIS A 95 -2.359 7.385 -7.237 1.00 0.00 C ATOM 294 O HIS A 95 -2.432 8.480 -7.796 1.00 0.00 O ATOM 295 CB HIS A 95 -1.848 5.600 -8.914 1.00 0.00 C ATOM 296 CG HIS A 95 -0.898 4.566 -9.439 1.00 0.00 C ATOM 297 ND1 HIS A 95 -1.104 3.210 -9.307 1.00 0.00 N ATOM 298 CD2 HIS A 95 0.272 4.700 -10.100 1.00 0.00 C ATOM 299 CE1 HIS A 95 -0.103 2.558 -9.861 1.00 0.00 C ATOM 300 NE2 HIS A 95 0.746 3.438 -10.350 1.00 0.00 N ATOM 0 H HIS A 95 -1.801 4.701 -6.473 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.403 6.850 -7.922 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.795 5.118 -8.671 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.052 6.325 -9.702 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.746 5.629 -10.380 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.004 1.484 -9.907 1.00 0.00 H new ATOM 0 HE2 HIS A 95 1.615 3.217 -10.836 1.00 0.00 H new ATOM 309 N GLU A 96 -3.146 7.037 -6.233 1.00 0.00 N ATOM 310 CA GLU A 96 -4.180 7.920 -5.734 1.00 0.00 C ATOM 311 C GLU A 96 -4.282 7.857 -4.223 1.00 0.00 C ATOM 312 O GLU A 96 -3.940 6.846 -3.604 1.00 0.00 O ATOM 313 CB GLU A 96 -5.523 7.563 -6.361 1.00 0.00 C ATOM 314 CG GLU A 96 -5.837 6.076 -6.331 1.00 0.00 C ATOM 315 CD GLU A 96 -7.243 5.764 -6.776 1.00 0.00 C ATOM 316 OE1 GLU A 96 -7.758 6.450 -7.685 1.00 0.00 O ATOM 317 OE2 GLU A 96 -7.848 4.832 -6.221 1.00 0.00 O ATOM 0 H GLU A 96 -3.086 6.143 -5.746 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.910 8.939 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.313 8.102 -5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.534 7.906 -7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.132 5.548 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.690 5.699 -5.319 1.00 0.00 H new ATOM 324 N GLU A 97 -4.734 8.948 -3.635 1.00 0.00 N ATOM 325 CA GLU A 97 -4.932 9.030 -2.204 1.00 0.00 C ATOM 326 C GLU A 97 -6.192 8.287 -1.798 1.00 0.00 C ATOM 327 O GLU A 97 -7.308 8.745 -2.050 1.00 0.00 O ATOM 328 CB GLU A 97 -5.017 10.486 -1.776 1.00 0.00 C ATOM 329 CG GLU A 97 -3.731 11.256 -1.987 1.00 0.00 C ATOM 330 CD GLU A 97 -3.926 12.743 -1.885 1.00 0.00 C ATOM 331 OE1 GLU A 97 -4.472 13.207 -0.867 1.00 0.00 O ATOM 332 OE2 GLU A 97 -3.523 13.464 -2.822 1.00 0.00 O ATOM 0 H GLU A 97 -4.974 9.802 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.083 8.563 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.818 10.973 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.289 10.531 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.996 10.938 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.323 11.013 -2.968 1.00 0.00 H new ATOM 339 N GLY A 98 -6.006 7.144 -1.192 1.00 0.00 N ATOM 340 CA GLY A 98 -7.112 6.338 -0.764 1.00 0.00 C ATOM 341 C GLY A 98 -6.710 4.895 -0.639 1.00 0.00 C ATOM 342 O GLY A 98 -5.612 4.524 -1.048 1.00 0.00 O ATOM 0 H GLY A 98 -5.089 6.750 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.481 6.701 0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.931 6.431 -1.477 1.00 0.00 H new ATOM 346 N PRO A 99 -7.559 4.061 -0.052 1.00 0.00 N ATOM 347 CA PRO A 99 -7.281 2.639 0.094 1.00 0.00 C ATOM 348 C PRO A 99 -7.529 1.859 -1.203 1.00 0.00 C ATOM 349 O PRO A 99 -8.561 2.030 -1.865 1.00 0.00 O ATOM 350 CB PRO A 99 -8.263 2.207 1.177 1.00 0.00 C ATOM 351 CG PRO A 99 -9.421 3.129 1.016 1.00 0.00 C ATOM 352 CD PRO A 99 -8.854 4.440 0.548 1.00 0.00 C ATOM 0 HA PRO A 99 -6.237 2.446 0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.563 1.167 1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.822 2.292 2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.135 2.734 0.293 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.955 3.251 1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.507 4.923 -0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.724 5.139 1.374 1.00 0.00 H new ATOM 360 N ILE A 100 -6.574 1.020 -1.556 1.00 0.00 N ATOM 361 CA ILE A 100 -6.662 0.172 -2.738 1.00 0.00 C ATOM 362 C ILE A 100 -6.162 -1.231 -2.398 1.00 0.00 C ATOM 363 O ILE A 100 -5.434 -1.398 -1.435 1.00 0.00 O ATOM 364 CB ILE A 100 -5.869 0.764 -3.948 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.539 1.416 -3.503 1.00 0.00 C ATOM 366 CG2 ILE A 100 -6.727 1.764 -4.718 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.454 0.436 -3.106 1.00 0.00 C ATOM 0 H ILE A 100 -5.708 0.904 -1.030 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.708 0.123 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.620 -0.065 -4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.166 2.040 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.739 2.077 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.156 2.164 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.620 1.264 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.019 2.579 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.560 0.984 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.801 -0.172 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.220 -0.210 -3.952 1.00 0.00 H new ATOM 379 N PRO A 101 -6.560 -2.263 -3.164 1.00 0.00 N ATOM 380 CA PRO A 101 -6.157 -3.646 -2.886 1.00 0.00 C ATOM 381 C PRO A 101 -4.677 -3.885 -3.148 1.00 0.00 C ATOM 382 O PRO A 101 -3.979 -3.034 -3.707 1.00 0.00 O ATOM 383 CB PRO A 101 -6.998 -4.463 -3.866 1.00 0.00 C ATOM 384 CG PRO A 101 -7.260 -3.527 -4.985 1.00 0.00 C ATOM 385 CD PRO A 101 -7.419 -2.176 -4.351 1.00 0.00 C ATOM 0 HA PRO A 101 -6.311 -3.908 -1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.464 -5.351 -4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.926 -4.805 -3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.437 -3.530 -5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.159 -3.812 -5.532 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.102 -1.377 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.457 -1.975 -4.084 1.00 0.00 H new ATOM 393 N HIS A 102 -4.211 -5.047 -2.766 1.00 0.00 N ATOM 394 CA HIS A 102 -2.834 -5.422 -2.951 1.00 0.00 C ATOM 395 C HIS A 102 -2.705 -6.100 -4.312 1.00 0.00 C ATOM 396 O HIS A 102 -3.449 -7.029 -4.602 1.00 0.00 O ATOM 397 CB HIS A 102 -2.425 -6.384 -1.826 1.00 0.00 C ATOM 398 CG HIS A 102 -0.955 -6.623 -1.679 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.163 -7.129 -2.680 1.00 0.00 N ATOM 400 CD2 HIS A 102 -0.144 -6.456 -0.611 1.00 0.00 C ATOM 401 CE1 HIS A 102 1.073 -7.265 -2.232 1.00 0.00 C ATOM 402 NE2 HIS A 102 1.111 -6.866 -0.976 1.00 0.00 N ATOM 0 H HIS A 102 -4.781 -5.763 -2.315 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.181 -4.550 -2.918 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.807 -5.994 -0.883 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.915 -7.343 -1.997 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.479 -7.363 -3.621 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.433 -6.069 0.355 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.912 -7.640 -2.800 1.00 0.00 H new ATOM 411 N PRO A 103 -1.760 -5.646 -5.159 1.00 0.00 N ATOM 412 CA PRO A 103 -1.585 -6.177 -6.526 1.00 0.00 C ATOM 413 C PRO A 103 -1.498 -7.705 -6.557 1.00 0.00 C ATOM 414 O PRO A 103 -2.252 -8.369 -7.268 1.00 0.00 O ATOM 415 CB PRO A 103 -0.256 -5.542 -6.992 1.00 0.00 C ATOM 416 CG PRO A 103 0.361 -4.969 -5.758 1.00 0.00 C ATOM 417 CD PRO A 103 -0.782 -4.593 -4.868 1.00 0.00 C ATOM 0 HA PRO A 103 -2.433 -5.935 -7.167 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.396 -6.286 -7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.431 -4.769 -7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.012 -5.696 -5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.975 -4.100 -5.995 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.494 -4.584 -3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.170 -3.601 -5.100 1.00 0.00 H new ATOM 425 N GLY A 104 -0.571 -8.244 -5.786 1.00 0.00 N ATOM 426 CA GLY A 104 -0.414 -9.685 -5.699 1.00 0.00 C ATOM 427 C GLY A 104 -1.638 -10.388 -5.118 1.00 0.00 C ATOM 428 O GLY A 104 -2.270 -11.203 -5.790 1.00 0.00 O ATOM 0 H GLY A 104 0.082 -7.709 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.212 -10.083 -6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.455 -9.913 -5.082 1.00 0.00 H new ATOM 432 N ASN A 105 -1.969 -10.073 -3.877 1.00 0.00 N ATOM 433 CA ASN A 105 -3.076 -10.718 -3.183 1.00 0.00 C ATOM 434 C ASN A 105 -4.123 -9.711 -2.695 1.00 0.00 C ATOM 435 O ASN A 105 -3.918 -9.011 -1.705 1.00 0.00 O ATOM 436 CB ASN A 105 -2.529 -11.560 -2.012 1.00 0.00 C ATOM 437 CG ASN A 105 -1.542 -10.803 -1.106 1.00 0.00 C ATOM 438 OD1 ASN A 105 -0.938 -9.797 -1.501 1.00 0.00 O ATOM 439 ND2 ASN A 105 -1.344 -11.305 0.091 1.00 0.00 N ATOM 0 H ASN A 105 -1.483 -9.368 -3.323 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.584 -11.371 -3.892 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.366 -11.911 -1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.033 -12.444 -2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -0.677 -10.865 0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.857 -12.135 0.387 1.00 0.00 H new ATOM 446 N VAL A 106 -5.247 -9.641 -3.422 1.00 0.00 N ATOM 447 CA VAL A 106 -6.368 -8.729 -3.099 1.00 0.00 C ATOM 448 C VAL A 106 -6.962 -8.940 -1.695 1.00 0.00 C ATOM 449 O VAL A 106 -7.778 -8.134 -1.239 1.00 0.00 O ATOM 450 CB VAL A 106 -7.503 -8.815 -4.147 1.00 0.00 C ATOM 451 CG1 VAL A 106 -7.023 -8.314 -5.499 1.00 0.00 C ATOM 452 CG2 VAL A 106 -8.032 -10.236 -4.259 1.00 0.00 C ATOM 0 H VAL A 106 -5.411 -10.212 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.922 -7.735 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.320 -8.175 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.836 -8.383 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.704 -7.276 -5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.185 -8.924 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.829 -10.270 -5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.224 -10.902 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.423 -10.556 -3.293 1.00 0.00 H new ATOM 462 N HIS A 107 -6.578 -10.025 -1.020 1.00 0.00 N ATOM 463 CA HIS A 107 -7.038 -10.274 0.354 1.00 0.00 C ATOM 464 C HIS A 107 -6.468 -9.210 1.309 1.00 0.00 C ATOM 465 O HIS A 107 -6.885 -9.093 2.468 1.00 0.00 O ATOM 466 CB HIS A 107 -6.643 -11.689 0.816 1.00 0.00 C ATOM 467 CG HIS A 107 -7.030 -12.000 2.235 1.00 0.00 C ATOM 468 ND1 HIS A 107 -6.154 -12.525 3.155 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.205 -11.831 2.892 1.00 0.00 C ATOM 470 CE1 HIS A 107 -6.769 -12.664 4.314 1.00 0.00 C ATOM 471 NE2 HIS A 107 -8.013 -12.248 4.184 1.00 0.00 N ATOM 0 H HIS A 107 -5.956 -10.741 -1.395 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.126 -10.207 0.370 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -7.110 -12.419 0.155 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.565 -11.807 0.710 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -5.181 -12.769 2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.121 -11.441 2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.327 -13.054 5.219 1.00 0.00 H new ATOM 480 N LYS A 108 -5.539 -8.431 0.807 1.00 0.00 N ATOM 481 CA LYS A 108 -4.945 -7.371 1.569 1.00 0.00 C ATOM 482 C LYS A 108 -5.062 -6.093 0.791 1.00 0.00 C ATOM 483 O LYS A 108 -5.239 -6.122 -0.427 1.00 0.00 O ATOM 484 CB LYS A 108 -3.480 -7.658 1.882 1.00 0.00 C ATOM 485 CG LYS A 108 -3.264 -8.856 2.785 1.00 0.00 C ATOM 486 CD LYS A 108 -1.945 -8.748 3.526 1.00 0.00 C ATOM 487 CE LYS A 108 -0.776 -8.698 2.568 1.00 0.00 C ATOM 488 NZ LYS A 108 0.529 -8.733 3.268 1.00 0.00 N ATOM 0 H LYS A 108 -5.177 -8.519 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.472 -7.286 2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.945 -7.820 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.041 -6.778 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.083 -8.928 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.278 -9.770 2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.947 -7.852 4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.832 -9.600 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.838 -9.540 1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.840 -7.790 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.294 -8.561 2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.549 -7.997 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.662 -9.666 3.708 1.00 0.00 H new ATOM 502 N TYR A 109 -4.978 -4.985 1.469 1.00 0.00 N ATOM 503 CA TYR A 109 -5.078 -3.712 0.808 1.00 0.00 C ATOM 504 C TYR A 109 -4.117 -2.720 1.421 1.00 0.00 C ATOM 505 O TYR A 109 -3.584 -2.948 2.501 1.00 0.00 O ATOM 506 CB TYR A 109 -6.520 -3.189 0.838 1.00 0.00 C ATOM 507 CG TYR A 109 -6.961 -2.578 2.147 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.152 -3.354 3.282 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.203 -1.215 2.236 1.00 0.00 C ATOM 510 CE1 TYR A 109 -7.565 -2.787 4.468 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.617 -0.641 3.412 1.00 0.00 C ATOM 512 CZ TYR A 109 -7.796 -1.430 4.529 1.00 0.00 C ATOM 513 OH TYR A 109 -8.205 -0.861 5.707 1.00 0.00 O ATOM 0 H TYR A 109 -4.841 -4.935 2.478 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.801 -3.844 -0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.634 -2.443 0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.192 -4.012 0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -6.974 -4.418 3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.063 -0.594 1.364 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -7.707 -3.402 5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.801 0.422 3.462 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.322 0.104 5.581 1.00 0.00 H new ATOM 523 N ILE A 110 -3.895 -1.635 0.743 1.00 0.00 N ATOM 524 CA ILE A 110 -2.988 -0.630 1.213 1.00 0.00 C ATOM 525 C ILE A 110 -3.708 0.697 1.314 1.00 0.00 C ATOM 526 O ILE A 110 -4.533 1.035 0.463 1.00 0.00 O ATOM 527 CB ILE A 110 -1.753 -0.470 0.279 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.123 -1.833 -0.053 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.717 0.445 0.916 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.661 -2.470 -1.321 1.00 0.00 C ATOM 0 H ILE A 110 -4.337 -1.421 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.629 -0.947 2.192 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.098 -0.020 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.044 -1.709 -0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.291 -2.513 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.139 0.545 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.157 1.427 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.390 0.019 1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.167 -3.428 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.735 -2.628 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.468 -1.812 -2.169 1.00 0.00 H new ATOM 542 N ILE A 111 -3.421 1.431 2.359 1.00 0.00 N ATOM 543 CA ILE A 111 -3.999 2.733 2.539 1.00 0.00 C ATOM 544 C ILE A 111 -2.990 3.767 2.112 1.00 0.00 C ATOM 545 O ILE A 111 -1.898 3.844 2.679 1.00 0.00 O ATOM 546 CB ILE A 111 -4.413 3.017 4.016 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.422 1.982 4.529 1.00 0.00 C ATOM 548 CG2 ILE A 111 -4.993 4.421 4.147 1.00 0.00 C ATOM 549 CD1 ILE A 111 -4.800 0.674 4.969 1.00 0.00 C ATOM 0 H ILE A 111 -2.785 1.143 3.102 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.905 2.776 1.935 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.514 2.943 4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.971 2.411 5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.149 1.779 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.277 4.602 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.246 5.153 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.872 4.512 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.581 -0.001 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.276 0.220 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.094 0.861 5.779 1.00 0.00 H new ATOM 561 N CYS A 112 -3.328 4.536 1.110 1.00 0.00 N ATOM 562 CA CYS A 112 -2.442 5.566 0.636 1.00 0.00 C ATOM 563 C CYS A 112 -2.925 6.898 1.171 1.00 0.00 C ATOM 564 O CYS A 112 -4.073 7.280 0.952 1.00 0.00 O ATOM 565 CB CYS A 112 -2.424 5.576 -0.894 1.00 0.00 C ATOM 566 SG CYS A 112 -2.181 3.927 -1.639 1.00 0.00 S ATOM 0 H CYS A 112 -4.212 4.468 0.606 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.427 5.379 0.985 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.364 5.993 -1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.629 6.239 -1.234 1.00 0.00 H new ATOM 571 N SER A 113 -2.073 7.594 1.885 1.00 0.00 N ATOM 572 CA SER A 113 -2.454 8.855 2.480 1.00 0.00 C ATOM 573 C SER A 113 -1.424 9.932 2.203 1.00 0.00 C ATOM 574 O SER A 113 -0.223 9.656 2.104 1.00 0.00 O ATOM 575 CB SER A 113 -2.659 8.684 3.985 1.00 0.00 C ATOM 576 OG SER A 113 -3.653 7.702 4.246 1.00 0.00 O ATOM 0 H SER A 113 -1.111 7.310 2.069 1.00 0.00 H new ATOM 0 HA SER A 113 -3.393 9.173 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.720 8.392 4.455 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.955 9.635 4.428 1.00 0.00 H new ATOM 0 HG SER A 113 -3.770 7.604 5.214 1.00 0.00 H new ATOM 582 N LYS A 114 -1.899 11.148 2.064 1.00 0.00 N ATOM 583 CA LYS A 114 -1.045 12.280 1.812 1.00 0.00 C ATOM 584 C LYS A 114 -0.741 13.019 3.109 1.00 0.00 C ATOM 585 O LYS A 114 -1.601 13.159 3.978 1.00 0.00 O ATOM 586 CB LYS A 114 -1.718 13.235 0.812 1.00 0.00 C ATOM 587 CG LYS A 114 -0.964 14.538 0.561 1.00 0.00 C ATOM 588 CD LYS A 114 0.242 14.352 -0.351 1.00 0.00 C ATOM 589 CE LYS A 114 -0.171 14.074 -1.790 1.00 0.00 C ATOM 590 NZ LYS A 114 -1.160 15.069 -2.301 1.00 0.00 N ATOM 0 H LYS A 114 -2.891 11.378 2.123 1.00 0.00 H new ATOM 0 HA LYS A 114 -0.108 11.919 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.842 12.715 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.717 13.475 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.642 15.266 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -0.634 14.951 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.863 15.247 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.852 13.527 0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.713 14.085 -2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.599 13.074 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.885 15.373 -3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.104 14.634 -2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.181 15.894 -1.668 1.00 0.00 H new ATOM 604 N SER A 115 0.481 13.441 3.243 1.00 0.00 N ATOM 605 CA SER A 115 0.910 14.253 4.346 1.00 0.00 C ATOM 606 C SER A 115 1.628 15.462 3.789 1.00 0.00 C ATOM 607 O SER A 115 2.845 15.455 3.606 1.00 0.00 O ATOM 608 CB SER A 115 1.810 13.454 5.280 1.00 0.00 C ATOM 609 OG SER A 115 1.072 12.423 5.922 1.00 0.00 O ATOM 0 H SER A 115 1.223 13.227 2.577 1.00 0.00 H new ATOM 0 HA SER A 115 0.051 14.579 4.933 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.636 13.021 4.716 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.247 14.116 6.028 1.00 0.00 H new ATOM 0 HG SER A 115 1.573 11.582 5.873 1.00 0.00 H new ATOM 615 N GLY A 116 0.853 16.477 3.463 1.00 0.00 N ATOM 616 CA GLY A 116 1.396 17.639 2.816 1.00 0.00 C ATOM 617 C GLY A 116 1.743 17.313 1.383 1.00 0.00 C ATOM 618 O GLY A 116 0.860 17.221 0.536 1.00 0.00 O ATOM 0 H GLY A 116 -0.151 16.514 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.674 18.455 2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.285 17.979 3.346 1.00 0.00 H new ATOM 622 N SER A 117 3.017 17.153 1.103 1.00 0.00 N ATOM 623 CA SER A 117 3.459 16.737 -0.214 1.00 0.00 C ATOM 624 C SER A 117 4.128 15.357 -0.156 1.00 0.00 C ATOM 625 O SER A 117 4.737 14.911 -1.128 1.00 0.00 O ATOM 626 CB SER A 117 4.407 17.778 -0.809 1.00 0.00 C ATOM 627 OG SER A 117 3.770 19.049 -0.904 1.00 0.00 O ATOM 0 H SER A 117 3.771 17.305 1.773 1.00 0.00 H new ATOM 0 HA SER A 117 2.586 16.657 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.300 17.859 -0.189 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.734 17.455 -1.798 1.00 0.00 H new ATOM 0 HG SER A 117 4.395 19.700 -1.286 1.00 0.00 H new ATOM 633 N LEU A 118 3.987 14.673 0.974 1.00 0.00 N ATOM 634 CA LEU A 118 4.625 13.373 1.170 1.00 0.00 C ATOM 635 C LEU A 118 3.581 12.265 1.220 1.00 0.00 C ATOM 636 O LEU A 118 2.482 12.465 1.729 1.00 0.00 O ATOM 637 CB LEU A 118 5.443 13.377 2.468 1.00 0.00 C ATOM 638 CG LEU A 118 6.325 12.146 2.712 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.356 11.990 1.603 1.00 0.00 C ATOM 640 CD2 LEU A 118 7.011 12.247 4.063 1.00 0.00 C ATOM 0 H LEU A 118 3.437 14.996 1.770 1.00 0.00 H new ATOM 0 HA LEU A 118 5.291 13.187 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.080 14.262 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 118 4.755 13.478 3.307 1.00 0.00 H new ATOM 0 HG LEU A 118 5.687 11.263 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.970 11.110 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.847 11.872 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.991 12.875 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.633 11.366 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.634 13.141 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.259 12.306 4.850 1.00 0.00 H new ATOM 652 N TRP A 119 3.914 11.114 0.666 1.00 0.00 N ATOM 653 CA TRP A 119 3.006 9.976 0.667 1.00 0.00 C ATOM 654 C TRP A 119 3.355 8.963 1.754 1.00 0.00 C ATOM 655 O TRP A 119 4.517 8.597 1.931 1.00 0.00 O ATOM 656 CB TRP A 119 3.026 9.274 -0.693 1.00 0.00 C ATOM 657 CG TRP A 119 2.391 10.059 -1.798 1.00 0.00 C ATOM 658 CD1 TRP A 119 2.901 11.161 -2.421 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.133 9.790 -2.423 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.031 11.596 -3.388 1.00 0.00 N ATOM 661 CE2 TRP A 119 0.938 10.770 -3.411 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.150 8.813 -2.239 1.00 0.00 C ATOM 663 CZ2 TRP A 119 -0.197 10.803 -4.215 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.976 8.847 -3.037 1.00 0.00 C ATOM 665 CH2 TRP A 119 -1.140 9.834 -4.015 1.00 0.00 C ATOM 0 H TRP A 119 4.808 10.940 0.208 1.00 0.00 H new ATOM 0 HA TRP A 119 2.010 10.368 0.871 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.060 9.059 -0.963 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.514 8.316 -0.602 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.849 11.622 -2.187 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.175 12.405 -3.993 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.269 8.047 -1.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.328 11.565 -4.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.743 8.099 -2.904 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.031 9.830 -4.625 1.00 0.00 H new ATOM 676 N TYR A 120 2.340 8.533 2.482 1.00 0.00 N ATOM 677 CA TYR A 120 2.484 7.475 3.471 1.00 0.00 C ATOM 678 C TYR A 120 1.585 6.312 3.101 1.00 0.00 C ATOM 679 O TYR A 120 0.409 6.507 2.775 1.00 0.00 O ATOM 680 CB TYR A 120 2.135 7.973 4.873 1.00 0.00 C ATOM 681 CG TYR A 120 3.202 8.827 5.513 1.00 0.00 C ATOM 682 CD1 TYR A 120 3.253 10.191 5.293 1.00 0.00 C ATOM 683 CD2 TYR A 120 4.156 8.262 6.350 1.00 0.00 C ATOM 684 CE1 TYR A 120 4.220 10.974 5.887 1.00 0.00 C ATOM 685 CE2 TYR A 120 5.130 9.037 6.947 1.00 0.00 C ATOM 686 CZ TYR A 120 5.156 10.393 6.711 1.00 0.00 C ATOM 687 OH TYR A 120 6.118 11.175 7.310 1.00 0.00 O ATOM 0 H TYR A 120 1.393 8.905 2.406 1.00 0.00 H new ATOM 0 HA TYR A 120 3.525 7.152 3.478 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.209 8.546 4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 120 1.942 7.113 5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.522 10.651 4.644 1.00 0.00 H new ATOM 0 HD2 TYR A 120 4.135 7.198 6.537 1.00 0.00 H new ATOM 0 HE1 TYR A 120 4.243 12.039 5.706 1.00 0.00 H new ATOM 0 HE2 TYR A 120 5.866 8.583 7.594 1.00 0.00 H new ATOM 0 HH TYR A 120 6.701 10.612 7.861 1.00 0.00 H new ATOM 697 N ILE A 121 2.130 5.111 3.129 1.00 0.00 N ATOM 698 CA ILE A 121 1.365 3.929 2.774 1.00 0.00 C ATOM 699 C ILE A 121 1.378 2.906 3.907 1.00 0.00 C ATOM 700 O ILE A 121 2.324 2.847 4.691 1.00 0.00 O ATOM 701 CB ILE A 121 1.885 3.282 1.447 1.00 0.00 C ATOM 702 CG1 ILE A 121 3.252 2.605 1.633 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.975 4.330 0.349 1.00 0.00 C ATOM 704 CD1 ILE A 121 3.169 1.119 1.925 1.00 0.00 C ATOM 0 H ILE A 121 3.098 4.927 3.393 1.00 0.00 H new ATOM 0 HA ILE A 121 0.336 4.249 2.609 1.00 0.00 H new ATOM 0 HB ILE A 121 1.168 2.512 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.846 2.755 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.781 3.096 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 121 2.338 3.866 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.988 4.758 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.663 5.118 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.174 0.715 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.604 0.960 2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.669 0.613 1.099 1.00 0.00 H new ATOM 716 N THR A 122 0.315 2.136 4.007 1.00 0.00 N ATOM 717 CA THR A 122 0.208 1.094 5.017 1.00 0.00 C ATOM 718 C THR A 122 -0.577 -0.094 4.466 1.00 0.00 C ATOM 719 O THR A 122 -1.714 0.062 4.031 1.00 0.00 O ATOM 720 CB THR A 122 -0.493 1.626 6.288 1.00 0.00 C ATOM 721 OG1 THR A 122 0.161 2.823 6.727 1.00 0.00 O ATOM 722 CG2 THR A 122 -0.452 0.592 7.404 1.00 0.00 C ATOM 0 H THR A 122 -0.498 2.211 3.395 1.00 0.00 H new ATOM 0 HA THR A 122 1.217 0.776 5.280 1.00 0.00 H new ATOM 0 HB THR A 122 -1.535 1.835 6.046 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.283 3.162 7.532 1.00 0.00 H new ATOM 0 HG21 THR A 122 -0.952 0.990 8.287 1.00 0.00 H new ATOM 0 HG22 THR A 122 -0.960 -0.316 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.585 0.360 7.647 1.00 0.00 H new ATOM 730 N VAL A 123 0.028 -1.275 4.480 1.00 0.00 N ATOM 731 CA VAL A 123 -0.622 -2.463 3.944 1.00 0.00 C ATOM 732 C VAL A 123 -1.312 -3.271 5.053 1.00 0.00 C ATOM 733 O VAL A 123 -0.663 -3.844 5.925 1.00 0.00 O ATOM 734 CB VAL A 123 0.373 -3.359 3.142 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.622 -3.680 3.958 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.310 -4.637 2.667 1.00 0.00 C ATOM 0 H VAL A 123 0.963 -1.435 4.855 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.388 -2.120 3.249 1.00 0.00 H new ATOM 0 HB VAL A 123 0.691 -2.795 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.292 -4.305 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.131 -2.754 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.337 -4.211 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.403 -5.245 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.671 -5.198 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.151 -4.382 2.022 1.00 0.00 H new ATOM 746 N MET A 124 -2.630 -3.278 5.018 1.00 0.00 N ATOM 747 CA MET A 124 -3.429 -3.987 6.010 1.00 0.00 C ATOM 748 C MET A 124 -4.191 -5.141 5.359 1.00 0.00 C ATOM 749 O MET A 124 -4.646 -5.029 4.224 1.00 0.00 O ATOM 750 CB MET A 124 -4.430 -3.027 6.669 1.00 0.00 C ATOM 751 CG MET A 124 -3.814 -1.781 7.307 1.00 0.00 C ATOM 752 SD MET A 124 -3.221 -2.029 9.001 1.00 0.00 S ATOM 753 CE MET A 124 -1.710 -2.951 8.738 1.00 0.00 C ATOM 0 H MET A 124 -3.179 -2.796 4.306 1.00 0.00 H new ATOM 0 HA MET A 124 -2.755 -4.386 6.768 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.154 -2.711 5.918 1.00 0.00 H new ATOM 0 HB3 MET A 124 -4.982 -3.572 7.434 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.982 -1.444 6.689 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.556 -0.982 7.307 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.030 -2.780 9.572 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.940 -4.014 8.669 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.239 -2.621 7.812 1.00 0.00 H new ATOM 763 N PRO A 125 -4.321 -6.270 6.059 1.00 0.00 N ATOM 764 CA PRO A 125 -5.077 -7.405 5.568 1.00 0.00 C ATOM 765 C PRO A 125 -6.559 -7.288 5.917 1.00 0.00 C ATOM 766 O PRO A 125 -6.916 -6.783 6.985 1.00 0.00 O ATOM 767 CB PRO A 125 -4.443 -8.582 6.304 1.00 0.00 C ATOM 768 CG PRO A 125 -3.978 -8.013 7.607 1.00 0.00 C ATOM 769 CD PRO A 125 -3.724 -6.537 7.382 1.00 0.00 C ATOM 0 HA PRO A 125 -5.042 -7.496 4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.163 -9.386 6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.612 -9.002 5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -4.730 -8.161 8.382 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.070 -8.513 7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.187 -5.929 8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.658 -6.309 7.392 1.00 0.00 H new ATOM 777 N CYS A 126 -7.420 -7.723 5.018 1.00 0.00 N ATOM 778 CA CYS A 126 -8.842 -7.685 5.283 1.00 0.00 C ATOM 779 C CYS A 126 -9.293 -9.008 5.876 1.00 0.00 C ATOM 780 O CYS A 126 -8.485 -9.931 6.045 1.00 0.00 O ATOM 781 CB CYS A 126 -9.636 -7.386 4.019 1.00 0.00 C ATOM 782 SG CYS A 126 -11.288 -6.699 4.358 1.00 0.00 S ATOM 0 H CYS A 126 -7.162 -8.103 4.107 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.030 -6.882 5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.076 -6.682 3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.742 -8.303 3.439 1.00 0.00 H new ATOM 787 N SER A 127 -10.578 -9.119 6.162 1.00 0.00 N ATOM 788 CA SER A 127 -11.124 -10.315 6.751 1.00 0.00 C ATOM 789 C SER A 127 -11.007 -11.489 5.786 1.00 0.00 C ATOM 790 O SER A 127 -11.114 -11.320 4.562 1.00 0.00 O ATOM 791 CB SER A 127 -12.578 -10.077 7.126 1.00 0.00 C ATOM 792 OG SER A 127 -12.697 -8.958 7.996 1.00 0.00 O ATOM 0 H SER A 127 -11.264 -8.384 5.991 1.00 0.00 H new ATOM 0 HA SER A 127 -10.558 -10.560 7.650 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.168 -9.908 6.225 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.984 -10.965 7.610 1.00 0.00 H new ATOM 0 HG SER A 127 -13.640 -8.820 8.224 1.00 0.00 H new ATOM 798 N ILE A 128 -10.765 -12.659 6.328 1.00 0.00 N ATOM 799 CA ILE A 128 -10.634 -13.854 5.531 1.00 0.00 C ATOM 800 C ILE A 128 -11.982 -14.213 4.913 1.00 0.00 C ATOM 801 O ILE A 128 -13.009 -14.224 5.595 1.00 0.00 O ATOM 802 CB ILE A 128 -10.068 -15.053 6.362 1.00 0.00 C ATOM 803 CG1 ILE A 128 -8.597 -14.803 6.765 1.00 0.00 C ATOM 804 CG2 ILE A 128 -10.178 -16.356 5.584 1.00 0.00 C ATOM 805 CD1 ILE A 128 -8.399 -13.739 7.831 1.00 0.00 C ATOM 0 H ILE A 128 -10.654 -12.809 7.331 1.00 0.00 H new ATOM 0 HA ILE A 128 -9.916 -13.651 4.736 1.00 0.00 H new ATOM 0 HB ILE A 128 -10.668 -15.136 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -8.169 -15.739 7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.036 -14.515 5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -9.778 -17.173 6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -11.225 -16.555 5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -9.611 -16.275 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -7.336 -13.634 8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -8.792 -12.787 7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -8.927 -14.031 8.739 1.00 0.00 H new ATOM 817 N GLY A 129 -11.966 -14.494 3.628 1.00 0.00 N ATOM 818 CA GLY A 129 -13.185 -14.767 2.913 1.00 0.00 C ATOM 819 C GLY A 129 -13.618 -13.593 2.060 1.00 0.00 C ATOM 820 O GLY A 129 -14.431 -13.742 1.144 1.00 0.00 O ATOM 0 H GLY A 129 -11.120 -14.538 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -13.045 -15.643 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -13.975 -15.010 3.623 1.00 0.00 H new ATOM 824 N THR A 130 -13.088 -12.416 2.362 1.00 0.00 N ATOM 825 CA THR A 130 -13.414 -11.232 1.601 1.00 0.00 C ATOM 826 C THR A 130 -12.174 -10.675 0.904 1.00 0.00 C ATOM 827 O THR A 130 -11.040 -10.957 1.310 1.00 0.00 O ATOM 828 CB THR A 130 -14.044 -10.134 2.494 1.00 0.00 C ATOM 829 OG1 THR A 130 -13.199 -9.852 3.620 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.413 -10.561 2.992 1.00 0.00 C ATOM 0 H THR A 130 -12.432 -12.262 3.128 1.00 0.00 H new ATOM 0 HA THR A 130 -14.147 -11.527 0.850 1.00 0.00 H new ATOM 0 HB THR A 130 -14.150 -9.235 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.440 -10.472 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.835 -9.774 3.617 1.00 0.00 H new ATOM 0 HG22 THR A 130 -16.070 -10.740 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 130 -15.318 -11.476 3.576 1.00 0.00 H new ATOM 838 N LYS A 131 -12.393 -9.897 -0.136 1.00 0.00 N ATOM 839 CA LYS A 131 -11.314 -9.295 -0.902 1.00 0.00 C ATOM 840 C LYS A 131 -11.593 -7.818 -1.113 1.00 0.00 C ATOM 841 O LYS A 131 -12.747 -7.410 -1.198 1.00 0.00 O ATOM 842 CB LYS A 131 -11.173 -10.008 -2.243 1.00 0.00 C ATOM 843 CG LYS A 131 -12.457 -10.036 -3.048 1.00 0.00 C ATOM 844 CD LYS A 131 -12.349 -10.978 -4.218 1.00 0.00 C ATOM 845 CE LYS A 131 -13.646 -11.047 -4.989 1.00 0.00 C ATOM 846 NZ LYS A 131 -13.596 -12.095 -6.037 1.00 0.00 N ATOM 0 H LYS A 131 -13.325 -9.662 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.379 -9.398 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.397 -9.515 -2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.840 -11.031 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.284 -10.342 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.686 -9.032 -3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.547 -10.649 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.081 -11.973 -3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.468 -11.254 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -13.850 -10.080 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -14.561 -12.307 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -13.027 -11.757 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -13.165 -12.957 -5.646 1.00 0.00 H new ATOM 860 N PHE A 132 -10.551 -7.024 -1.188 1.00 0.00 N ATOM 861 CA PHE A 132 -10.704 -5.586 -1.331 1.00 0.00 C ATOM 862 C PHE A 132 -10.848 -5.174 -2.804 1.00 0.00 C ATOM 863 O PHE A 132 -10.180 -5.723 -3.687 1.00 0.00 O ATOM 864 CB PHE A 132 -9.508 -4.881 -0.693 1.00 0.00 C ATOM 865 CG PHE A 132 -9.742 -3.434 -0.370 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.308 -3.069 0.838 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.385 -2.445 -1.263 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.514 -1.743 1.146 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.590 -1.115 -0.962 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.154 -0.764 0.245 1.00 0.00 C ATOM 0 H PHE A 132 -9.584 -7.346 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.619 -5.286 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.238 -5.406 0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.655 -4.957 -1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.591 -3.832 1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.940 -2.716 -2.209 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -10.957 -1.470 2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.309 -0.350 -1.671 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.314 0.277 0.485 1.00 0.00 H new ATOM 880 N ASP A 133 -11.741 -4.220 -3.056 1.00 0.00 N ATOM 881 CA ASP A 133 -11.957 -3.675 -4.403 1.00 0.00 C ATOM 882 C ASP A 133 -11.383 -2.259 -4.487 1.00 0.00 C ATOM 883 O ASP A 133 -11.573 -1.458 -3.572 1.00 0.00 O ATOM 884 CB ASP A 133 -13.455 -3.666 -4.752 1.00 0.00 C ATOM 885 CG ASP A 133 -13.734 -3.117 -6.147 1.00 0.00 C ATOM 886 OD1 ASP A 133 -13.644 -3.888 -7.124 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.041 -1.913 -6.265 1.00 0.00 O ATOM 0 H ASP A 133 -12.335 -3.802 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.444 -4.311 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -13.846 -4.681 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -13.991 -3.066 -4.017 1.00 0.00 H new ATOM 892 N PRO A 134 -10.679 -1.933 -5.588 1.00 0.00 N ATOM 893 CA PRO A 134 -10.012 -0.630 -5.756 1.00 0.00 C ATOM 894 C PRO A 134 -10.968 0.550 -5.903 1.00 0.00 C ATOM 895 O PRO A 134 -10.758 1.603 -5.301 1.00 0.00 O ATOM 896 CB PRO A 134 -9.198 -0.810 -7.043 1.00 0.00 C ATOM 897 CG PRO A 134 -9.902 -1.886 -7.791 1.00 0.00 C ATOM 898 CD PRO A 134 -10.479 -2.807 -6.758 1.00 0.00 C ATOM 0 HA PRO A 134 -9.422 -0.385 -4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.161 0.114 -7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.168 -1.090 -6.823 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -10.687 -1.471 -8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.213 -2.419 -8.446 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.417 -3.249 -7.094 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -9.802 -3.631 -6.532 1.00 0.00 H new ATOM 906 N ILE A 135 -11.994 0.384 -6.713 1.00 0.00 N ATOM 907 CA ILE A 135 -12.928 1.464 -6.979 1.00 0.00 C ATOM 908 C ILE A 135 -13.922 1.641 -5.842 1.00 0.00 C ATOM 909 O ILE A 135 -14.175 2.762 -5.392 1.00 0.00 O ATOM 910 CB ILE A 135 -13.683 1.235 -8.307 1.00 0.00 C ATOM 911 CG1 ILE A 135 -12.689 1.007 -9.456 1.00 0.00 C ATOM 912 CG2 ILE A 135 -14.598 2.411 -8.617 1.00 0.00 C ATOM 913 CD1 ILE A 135 -11.658 2.110 -9.615 1.00 0.00 C ATOM 0 H ILE A 135 -12.204 -0.488 -7.199 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.340 2.378 -7.063 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.300 0.343 -8.201 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -12.171 0.062 -9.291 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -13.245 0.908 -10.388 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -15.120 2.228 -9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -15.326 2.527 -7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -14.004 3.321 -8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -10.996 1.872 -10.447 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -12.164 3.055 -9.813 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -11.073 2.196 -8.699 1.00 0.00 H new ATOM 925 N SER A 136 -14.484 0.544 -5.378 1.00 0.00 N ATOM 926 CA SER A 136 -15.443 0.584 -4.296 1.00 0.00 C ATOM 927 C SER A 136 -14.748 0.975 -2.987 1.00 0.00 C ATOM 928 O SER A 136 -15.330 1.652 -2.140 1.00 0.00 O ATOM 929 CB SER A 136 -16.117 -0.776 -4.161 1.00 0.00 C ATOM 930 OG SER A 136 -16.516 -1.269 -5.437 1.00 0.00 O ATOM 0 H SER A 136 -14.291 -0.391 -5.737 1.00 0.00 H new ATOM 0 HA SER A 136 -16.203 1.334 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 136 -15.432 -1.482 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 136 -16.987 -0.693 -3.509 1.00 0.00 H new ATOM 0 HG SER A 136 -15.728 -1.585 -5.926 1.00 0.00 H new ATOM 936 N ARG A 137 -13.501 0.520 -2.840 1.00 0.00 N ATOM 937 CA ARG A 137 -12.662 0.837 -1.679 1.00 0.00 C ATOM 938 C ARG A 137 -13.189 0.165 -0.422 1.00 0.00 C ATOM 939 O ARG A 137 -13.184 0.749 0.660 1.00 0.00 O ATOM 940 CB ARG A 137 -12.531 2.351 -1.463 1.00 0.00 C ATOM 941 CG ARG A 137 -12.036 3.105 -2.676 1.00 0.00 C ATOM 942 CD ARG A 137 -11.657 4.527 -2.324 1.00 0.00 C ATOM 943 NE ARG A 137 -11.396 5.329 -3.513 1.00 0.00 N ATOM 944 CZ ARG A 137 -10.287 5.253 -4.256 1.00 0.00 C ATOM 945 NH1 ARG A 137 -9.310 4.407 -3.935 1.00 0.00 N ATOM 946 NH2 ARG A 137 -10.153 6.020 -5.328 1.00 0.00 N ATOM 0 H ARG A 137 -13.042 -0.081 -3.525 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.667 0.445 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.502 2.751 -1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -11.849 2.531 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.173 2.591 -3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.810 3.112 -3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -12.460 4.985 -1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.771 4.520 -1.689 1.00 0.00 H new ATOM 0 HE ARG A 137 -12.112 5.997 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -9.403 3.808 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -8.469 4.358 -4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -10.896 6.669 -5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -9.307 5.962 -5.894 1.00 0.00 H new ATOM 960 N ASN A 138 -13.610 -1.074 -0.563 1.00 0.00 N ATOM 961 CA ASN A 138 -14.109 -1.852 0.553 1.00 0.00 C ATOM 962 C ASN A 138 -13.870 -3.318 0.268 1.00 0.00 C ATOM 963 O ASN A 138 -13.393 -3.671 -0.812 1.00 0.00 O ATOM 964 CB ASN A 138 -15.609 -1.588 0.810 1.00 0.00 C ATOM 965 CG ASN A 138 -16.524 -2.123 -0.282 1.00 0.00 C ATOM 966 OD1 ASN A 138 -16.802 -1.440 -1.264 1.00 0.00 O ATOM 967 ND2 ASN A 138 -17.021 -3.337 -0.103 1.00 0.00 N ATOM 0 H ASN A 138 -13.616 -1.571 -1.454 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.575 -1.554 1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.890 -2.041 1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.767 -0.514 0.910 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.658 -3.734 -0.794 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.767 -3.875 0.726 1.00 0.00 H new ATOM 974 N CYS A 139 -14.195 -4.163 1.212 1.00 0.00 N ATOM 975 CA CYS A 139 -14.001 -5.585 1.036 1.00 0.00 C ATOM 976 C CYS A 139 -15.308 -6.259 0.680 1.00 0.00 C ATOM 977 O CYS A 139 -16.317 -6.082 1.363 1.00 0.00 O ATOM 978 CB CYS A 139 -13.408 -6.210 2.294 1.00 0.00 C ATOM 979 SG CYS A 139 -11.738 -5.630 2.702 1.00 0.00 S ATOM 0 H CYS A 139 -14.595 -3.895 2.111 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.299 -5.733 0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -14.068 -6.000 3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -13.384 -7.293 2.170 1.00 0.00 H new ATOM 984 N VAL A 140 -15.292 -7.004 -0.407 1.00 0.00 N ATOM 985 CA VAL A 140 -16.457 -7.713 -0.865 1.00 0.00 C ATOM 986 C VAL A 140 -16.266 -9.204 -0.659 1.00 0.00 C ATOM 987 O VAL A 140 -15.133 -9.681 -0.541 1.00 0.00 O ATOM 988 CB VAL A 140 -16.751 -7.420 -2.355 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.019 -5.938 -2.561 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.598 -7.880 -3.240 1.00 0.00 C ATOM 0 H VAL A 140 -14.468 -7.131 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.311 -7.369 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.642 -7.980 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.224 -5.748 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.880 -5.638 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.145 -5.364 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -15.830 -7.662 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.687 -7.354 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.451 -8.953 -3.117 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.358 -9.928 -0.596 1.00 0.00 N ATOM 1001 CA LEU A 141 -17.308 -11.358 -0.389 1.00 0.00 C ATOM 1002 C LEU A 141 -16.746 -12.068 -1.607 1.00 0.00 C ATOM 1003 O LEU A 141 -17.333 -12.030 -2.689 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.698 -11.896 -0.062 1.00 0.00 C ATOM 1005 CG LEU A 141 -18.782 -13.391 0.226 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -17.983 -13.750 1.471 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -20.228 -13.809 0.381 1.00 0.00 C ATOM 0 H LEU A 141 -18.300 -9.547 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.645 -11.552 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -19.081 -11.357 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -19.360 -11.669 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 141 -18.349 -13.931 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -18.059 -14.822 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -16.937 -13.480 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -18.380 -13.206 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -20.278 -14.878 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -20.679 -13.259 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -20.770 -13.591 -0.539 1.00 0.00 H new ATOM 1019 N ASP A 142 -15.598 -12.695 -1.426 1.00 0.00 N ATOM 1020 CA ASP A 142 -14.982 -13.462 -2.490 1.00 0.00 C ATOM 1021 C ASP A 142 -15.744 -14.748 -2.694 1.00 0.00 C ATOM 1022 O ASP A 142 -15.607 -15.694 -1.918 1.00 0.00 O ATOM 1023 CB ASP A 142 -13.516 -13.755 -2.180 1.00 0.00 C ATOM 1024 CG ASP A 142 -12.867 -14.623 -3.241 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -12.705 -14.150 -4.385 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -12.503 -15.782 -2.929 1.00 0.00 O ATOM 0 H ASP A 142 -15.074 -12.687 -0.551 1.00 0.00 H new ATOM 0 HA ASP A 142 -15.016 -12.873 -3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.969 -12.816 -2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -13.444 -14.252 -1.213 1.00 0.00 H new