USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 460 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 73 ASN : amide:sc= 0.0068 K(o=0.12,f=-0.43) USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 76 THR OG1 : rot -87:sc= 0.114 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot -167:sc= 0.152 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -2.41! K(o=-2.4!,f=-0.71) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0336) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 177:sc= -0.0379 (180deg=-0.0467) USER MOD Single : A 102 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.19) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 109 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.04) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 60 -3.891 -8.507 -1.538 1.00 0.00 N ATOM 28 CA ILE A 60 -5.150 -8.410 -2.240 1.00 0.00 C ATOM 29 C ILE A 60 -6.314 -8.016 -1.375 1.00 0.00 C ATOM 30 O ILE A 60 -6.994 -7.033 -1.657 1.00 0.00 O ATOM 31 CB ILE A 60 -5.611 -9.580 -3.070 1.00 0.00 C ATOM 32 CG1 ILE A 60 -4.809 -10.865 -2.843 1.00 0.00 C ATOM 33 CG2 ILE A 60 -5.552 -9.075 -4.517 1.00 0.00 C ATOM 34 CD1 ILE A 60 -5.044 -11.423 -1.448 1.00 0.00 C ATOM 0 HA ILE A 60 -4.866 -7.619 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.617 -9.889 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.092 -11.609 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.747 -10.663 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.873 -9.868 -5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.211 -8.214 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.530 -8.784 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.461 -12.335 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.737 -10.687 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.103 -11.648 -1.320 1.00 0.00 H new ATOM 46 N ALA A 61 -6.600 -8.815 -0.334 1.00 0.00 N ATOM 47 CA ALA A 61 -7.743 -8.641 0.518 1.00 0.00 C ATOM 48 C ALA A 61 -7.226 -8.125 1.810 1.00 0.00 C ATOM 49 O ALA A 61 -7.885 -7.355 2.505 1.00 0.00 O ATOM 50 CB ALA A 61 -8.438 -9.974 0.825 1.00 0.00 C ATOM 0 H ALA A 61 -6.018 -9.611 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.456 -7.979 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.297 -9.796 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.773 -10.432 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.738 -10.642 1.327 1.00 0.00 H new ATOM 56 N ARG A 62 -5.995 -8.556 2.139 1.00 0.00 N ATOM 57 CA ARG A 62 -5.273 -8.104 3.289 1.00 0.00 C ATOM 58 C ARG A 62 -4.687 -6.759 2.961 1.00 0.00 C ATOM 59 O ARG A 62 -4.320 -6.001 3.857 1.00 0.00 O ATOM 60 CB ARG A 62 -4.161 -9.098 3.687 1.00 0.00 C ATOM 61 CG ARG A 62 -3.408 -9.677 2.483 1.00 0.00 C ATOM 62 CD ARG A 62 -2.207 -10.556 2.852 1.00 0.00 C ATOM 63 NE ARG A 62 -2.681 -11.903 3.271 1.00 0.00 N ATOM 64 CZ ARG A 62 -1.782 -12.920 3.428 1.00 0.00 C ATOM 65 NH1 ARG A 62 -0.459 -12.716 3.162 1.00 0.00 N ATOM 66 NH2 ARG A 62 -2.207 -14.144 3.853 1.00 0.00 N ATOM 0 H ARG A 62 -5.484 -9.243 1.585 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.949 -8.031 4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.451 -8.595 4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.601 -9.915 4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.103 -10.265 1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.063 -8.855 1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.534 -10.646 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.639 -10.093 3.659 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.673 -12.067 3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.138 -11.801 2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.208 -13.478 3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.195 -14.300 4.053 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.537 -14.904 3.971 1.00 0.00 H new ATOM 80 N ILE A 63 -4.624 -6.427 1.653 1.00 0.00 N ATOM 81 CA ILE A 63 -4.194 -5.145 1.180 1.00 0.00 C ATOM 82 C ILE A 63 -5.314 -4.183 1.304 1.00 0.00 C ATOM 83 O ILE A 63 -5.097 -2.998 1.542 1.00 0.00 O ATOM 84 CB ILE A 63 -3.730 -5.228 -0.253 1.00 0.00 C ATOM 85 CG1 ILE A 63 -2.320 -4.646 -0.390 1.00 0.00 C ATOM 86 CG2 ILE A 63 -4.716 -4.744 -1.326 1.00 0.00 C ATOM 87 CD1 ILE A 63 -1.842 -4.537 -1.834 1.00 0.00 C ATOM 0 H ILE A 63 -4.880 -7.071 0.905 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.352 -4.807 1.783 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.689 -6.293 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.299 -3.657 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.623 -5.270 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.264 -4.855 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.629 -5.338 -1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.956 -3.695 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.836 -4.117 -1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.831 -5.527 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.517 -3.889 -2.393 1.00 0.00 H new ATOM 99 N ASN A 64 -6.548 -4.701 1.161 1.00 0.00 N ATOM 100 CA ASN A 64 -7.741 -3.916 1.161 1.00 0.00 C ATOM 101 C ASN A 64 -8.091 -3.597 2.572 1.00 0.00 C ATOM 102 O ASN A 64 -8.934 -2.741 2.835 1.00 0.00 O ATOM 103 CB ASN A 64 -8.898 -4.742 0.592 1.00 0.00 C ATOM 104 CG ASN A 64 -9.473 -4.029 -0.629 1.00 0.00 C ATOM 105 OD1 ASN A 64 -9.386 -4.530 -1.755 1.00 0.00 O ATOM 106 ND2 ASN A 64 -10.080 -2.827 -0.381 1.00 0.00 N ATOM 0 H ASN A 64 -6.719 -5.699 1.042 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.581 -3.016 0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.549 -5.737 0.316 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.672 -4.875 1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.491 -2.295 -1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.121 -2.463 0.571 1.00 0.00 H new ATOM 113 N ALA A 65 -7.426 -4.300 3.503 1.00 0.00 N ATOM 114 CA ALA A 65 -7.725 -4.203 4.904 1.00 0.00 C ATOM 115 C ALA A 65 -6.722 -3.311 5.553 1.00 0.00 C ATOM 116 O ALA A 65 -6.918 -2.868 6.684 1.00 0.00 O ATOM 117 CB ALA A 65 -7.646 -5.561 5.616 1.00 0.00 C ATOM 0 H ALA A 65 -6.668 -4.947 3.285 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.741 -3.817 4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.881 -5.432 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.362 -6.250 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.639 -5.967 5.515 1.00 0.00 H new ATOM 123 N ALA A 66 -5.618 -3.027 4.841 1.00 0.00 N ATOM 124 CA ALA A 66 -4.550 -2.248 5.391 1.00 0.00 C ATOM 125 C ALA A 66 -4.752 -0.812 5.032 1.00 0.00 C ATOM 126 O ALA A 66 -4.336 0.085 5.765 1.00 0.00 O ATOM 127 CB ALA A 66 -3.200 -2.660 4.802 1.00 0.00 C ATOM 0 H ALA A 66 -5.463 -3.337 3.882 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.552 -2.406 6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.410 -2.050 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.012 -3.711 5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.214 -2.514 3.722 1.00 0.00 H new ATOM 133 N VAL A 67 -5.395 -0.574 3.873 1.00 0.00 N ATOM 134 CA VAL A 67 -5.476 0.729 3.284 1.00 0.00 C ATOM 135 C VAL A 67 -6.591 1.492 3.913 1.00 0.00 C ATOM 136 O VAL A 67 -6.581 2.721 3.879 1.00 0.00 O ATOM 137 CB VAL A 67 -5.716 0.687 1.790 1.00 0.00 C ATOM 138 CG1 VAL A 67 -4.405 0.253 1.106 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.921 -0.209 1.442 1.00 0.00 C ATOM 0 H VAL A 67 -5.868 -1.300 3.335 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.514 1.211 3.458 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.985 1.674 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.553 0.215 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.618 0.970 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.115 -0.734 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.067 -0.218 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.733 -1.224 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.816 0.181 1.926 1.00 0.00 H new ATOM 149 N ARG A 68 -7.572 0.774 4.499 1.00 0.00 N ATOM 150 CA ARG A 68 -8.730 1.379 5.085 1.00 0.00 C ATOM 151 C ARG A 68 -8.333 1.986 6.396 1.00 0.00 C ATOM 152 O ARG A 68 -8.241 1.314 7.422 1.00 0.00 O ATOM 153 CB ARG A 68 -9.904 0.389 5.263 1.00 0.00 C ATOM 154 CG ARG A 68 -9.502 -1.001 5.770 1.00 0.00 C ATOM 155 CD ARG A 68 -10.682 -1.965 5.908 1.00 0.00 C ATOM 156 NE ARG A 68 -11.599 -1.443 6.962 1.00 0.00 N ATOM 157 CZ ARG A 68 -12.619 -2.211 7.445 1.00 0.00 C ATOM 158 NH1 ARG A 68 -12.828 -3.469 6.961 1.00 0.00 N ATOM 159 NH2 ARG A 68 -13.437 -1.716 8.422 1.00 0.00 N ATOM 0 H ARG A 68 -7.559 -0.244 4.566 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.098 2.148 4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.622 0.821 5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.415 0.278 4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.770 -1.431 5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.012 -0.898 6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.209 -2.056 4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.328 -2.961 6.173 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.462 -0.500 7.327 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.220 -3.843 6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.593 -4.036 7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.284 -0.776 8.787 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.200 -2.287 8.786 1.00 0.00 H new ATOM 173 N ALA A 69 -8.064 3.306 6.358 1.00 0.00 N ATOM 174 CA ALA A 69 -7.535 4.029 7.473 1.00 0.00 C ATOM 175 C ALA A 69 -7.305 5.404 6.955 1.00 0.00 C ATOM 176 O ALA A 69 -7.708 6.393 7.566 1.00 0.00 O ATOM 177 CB ALA A 69 -6.157 3.531 7.952 1.00 0.00 C ATOM 0 H ALA A 69 -8.219 3.883 5.531 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.229 3.931 8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.828 4.132 8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.233 2.487 8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.435 3.622 7.140 1.00 0.00 H new ATOM 183 N TYR A 70 -6.626 5.476 5.794 1.00 0.00 N ATOM 184 CA TYR A 70 -6.162 6.717 5.254 1.00 0.00 C ATOM 185 C TYR A 70 -7.273 7.356 4.496 1.00 0.00 C ATOM 186 O TYR A 70 -7.498 8.559 4.607 1.00 0.00 O ATOM 187 CB TYR A 70 -5.005 6.522 4.260 1.00 0.00 C ATOM 188 CG TYR A 70 -3.994 5.619 4.880 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.314 5.991 6.025 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.744 4.381 4.318 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.409 5.128 6.609 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.831 3.525 4.894 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.162 3.895 6.041 1.00 0.00 C ATOM 194 OH TYR A 70 -1.235 3.015 6.641 1.00 0.00 O ATOM 0 H TYR A 70 -6.396 4.662 5.223 1.00 0.00 H new ATOM 0 HA TYR A 70 -5.820 7.325 6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.375 6.093 3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.553 7.482 4.012 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.492 6.961 6.464 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.268 4.083 3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.893 5.418 7.512 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.639 2.561 4.446 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.023 2.289 6.018 1.00 0.00 H new ATOM 204 N GLY A 71 -7.979 6.539 3.690 1.00 0.00 N ATOM 205 CA GLY A 71 -8.922 7.044 2.738 1.00 0.00 C ATOM 206 C GLY A 71 -8.623 6.313 1.476 1.00 0.00 C ATOM 207 O GLY A 71 -9.399 6.360 0.521 1.00 0.00 O ATOM 0 H GLY A 71 -7.895 5.522 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.947 6.866 3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.812 8.120 2.606 1.00 0.00 H new ATOM 211 N LEU A 72 -7.479 5.599 1.467 1.00 0.00 N ATOM 212 CA LEU A 72 -7.131 4.738 0.380 1.00 0.00 C ATOM 213 C LEU A 72 -8.020 3.564 0.482 1.00 0.00 C ATOM 214 O LEU A 72 -8.330 3.083 1.569 1.00 0.00 O ATOM 215 CB LEU A 72 -5.686 4.217 0.438 1.00 0.00 C ATOM 216 CG LEU A 72 -4.609 5.306 0.270 1.00 0.00 C ATOM 217 CD1 LEU A 72 -3.203 4.708 0.436 1.00 0.00 C ATOM 218 CD2 LEU A 72 -4.737 6.026 -1.080 1.00 0.00 C ATOM 0 H LEU A 72 -6.792 5.621 2.220 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.232 5.306 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.532 3.715 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.552 3.467 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.766 6.048 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.457 5.493 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.109 4.270 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.045 3.936 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.961 6.787 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.625 5.304 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.717 6.499 -1.149 1.00 0.00 H new ATOM 230 N ASN A 73 -8.491 3.135 -0.697 1.00 0.00 N ATOM 231 CA ASN A 73 -9.436 2.077 -0.812 1.00 0.00 C ATOM 232 C ASN A 73 -8.854 1.039 -1.709 1.00 0.00 C ATOM 233 O ASN A 73 -9.590 0.219 -2.255 1.00 0.00 O ATOM 234 CB ASN A 73 -10.829 2.528 -1.304 1.00 0.00 C ATOM 235 CG ASN A 73 -10.785 3.084 -2.727 1.00 0.00 C ATOM 236 OD1 ASN A 73 -10.105 4.071 -3.031 1.00 0.00 O ATOM 237 ND2 ASN A 73 -11.581 2.417 -3.618 1.00 0.00 N ATOM 0 H ASN A 73 -8.208 3.534 -1.592 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.617 1.675 0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.517 1.683 -1.267 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.222 3.289 -0.630 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.634 2.729 -4.588 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.121 1.608 -3.313 1.00 0.00 H new ATOM 244 N TYR A 74 -7.504 1.078 -1.861 1.00 0.00 N ATOM 245 CA TYR A 74 -6.695 0.158 -2.630 1.00 0.00 C ATOM 246 C TYR A 74 -6.669 0.586 -4.068 1.00 0.00 C ATOM 247 O TYR A 74 -5.700 0.293 -4.761 1.00 0.00 O ATOM 248 CB TYR A 74 -7.029 -1.357 -2.447 1.00 0.00 C ATOM 249 CG TYR A 74 -6.301 -2.302 -3.364 1.00 0.00 C ATOM 250 CD1 TYR A 74 -4.923 -2.309 -3.531 1.00 0.00 C ATOM 251 CD2 TYR A 74 -7.044 -3.274 -4.006 1.00 0.00 C ATOM 252 CE1 TYR A 74 -4.323 -3.226 -4.374 1.00 0.00 C ATOM 253 CE2 TYR A 74 -6.445 -4.212 -4.818 1.00 0.00 C ATOM 254 CZ TYR A 74 -5.084 -4.189 -5.004 1.00 0.00 C ATOM 255 OH TYR A 74 -4.480 -5.167 -5.820 1.00 0.00 O ATOM 0 H TYR A 74 -6.941 1.802 -1.416 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.688 0.223 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.808 -1.637 -1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.101 -1.494 -2.591 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.315 -1.593 -2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.115 -3.299 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.256 -3.188 -4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.045 -4.965 -5.308 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.169 -5.763 -6.181 1.00 0.00 H new ATOM 265 N SER A 75 -7.704 1.298 -4.563 1.00 0.00 N ATOM 266 CA SER A 75 -7.741 1.682 -5.952 1.00 0.00 C ATOM 267 C SER A 75 -6.884 2.886 -6.183 1.00 0.00 C ATOM 268 O SER A 75 -6.361 3.082 -7.278 1.00 0.00 O ATOM 269 CB SER A 75 -9.149 1.978 -6.502 1.00 0.00 C ATOM 270 OG SER A 75 -9.658 3.198 -5.984 1.00 0.00 O ATOM 0 H SER A 75 -8.506 1.606 -4.013 1.00 0.00 H new ATOM 0 HA SER A 75 -7.365 0.812 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.114 2.029 -7.590 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.822 1.161 -6.243 1.00 0.00 H new ATOM 0 HG SER A 75 -10.552 3.361 -6.351 1.00 0.00 H new ATOM 276 N THR A 76 -6.741 3.734 -5.147 1.00 0.00 N ATOM 277 CA THR A 76 -6.044 4.978 -5.272 1.00 0.00 C ATOM 278 C THR A 76 -4.609 4.723 -4.939 1.00 0.00 C ATOM 279 O THR A 76 -3.701 5.383 -5.456 1.00 0.00 O ATOM 280 CB THR A 76 -6.613 6.005 -4.341 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.089 5.360 -3.171 1.00 0.00 O ATOM 282 CG2 THR A 76 -7.784 6.719 -5.038 1.00 0.00 C ATOM 0 H THR A 76 -7.112 3.555 -4.214 1.00 0.00 H new ATOM 0 HA THR A 76 -6.145 5.364 -6.286 1.00 0.00 H new ATOM 0 HB THR A 76 -5.844 6.730 -4.074 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.016 5.073 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.204 7.468 -4.367 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.426 7.205 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.553 5.991 -5.295 1.00 0.00 H new ATOM 290 N PHE A 77 -4.399 3.692 -4.091 1.00 0.00 N ATOM 291 CA PHE A 77 -3.099 3.184 -3.782 1.00 0.00 C ATOM 292 C PHE A 77 -2.550 2.738 -5.087 1.00 0.00 C ATOM 293 O PHE A 77 -1.436 3.106 -5.451 1.00 0.00 O ATOM 294 CB PHE A 77 -3.171 1.961 -2.836 1.00 0.00 C ATOM 295 CG PHE A 77 -1.847 1.579 -2.230 1.00 0.00 C ATOM 296 CD1 PHE A 77 -0.980 2.521 -1.696 1.00 0.00 C ATOM 297 CD2 PHE A 77 -1.513 0.236 -2.115 1.00 0.00 C ATOM 298 CE1 PHE A 77 0.186 2.138 -1.064 1.00 0.00 C ATOM 299 CE2 PHE A 77 -0.363 -0.148 -1.456 1.00 0.00 C ATOM 300 CZ PHE A 77 0.493 0.800 -0.939 1.00 0.00 C ATOM 0 H PHE A 77 -5.154 3.203 -3.611 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.495 3.942 -3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.878 2.175 -2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.565 1.109 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.221 3.571 -1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.159 -0.515 -2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.857 2.886 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.133 -1.197 -1.345 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.400 0.496 -0.438 1.00 0.00 H new ATOM 310 N ILE A 78 -3.391 1.982 -5.828 1.00 0.00 N ATOM 311 CA ILE A 78 -3.066 1.336 -7.065 1.00 0.00 C ATOM 312 C ILE A 78 -2.544 2.353 -8.044 1.00 0.00 C ATOM 313 O ILE A 78 -1.575 2.086 -8.755 1.00 0.00 O ATOM 314 CB ILE A 78 -4.228 0.538 -7.630 1.00 0.00 C ATOM 315 CG1 ILE A 78 -3.840 -0.945 -7.500 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.581 0.884 -9.095 1.00 0.00 C ATOM 317 CD1 ILE A 78 -5.018 -1.908 -7.636 1.00 0.00 C ATOM 0 H ILE A 78 -4.356 1.814 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.281 0.605 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.130 0.783 -7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.098 -1.184 -8.262 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.365 -1.102 -6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.421 0.270 -9.422 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.853 1.937 -9.165 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.719 0.689 -9.733 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.663 -2.934 -7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.752 -1.698 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.481 -1.781 -8.615 1.00 0.00 H new ATOM 329 N ASN A 79 -3.180 3.551 -8.082 1.00 0.00 N ATOM 330 CA ASN A 79 -2.899 4.525 -9.100 1.00 0.00 C ATOM 331 C ASN A 79 -1.568 5.140 -8.906 1.00 0.00 C ATOM 332 O ASN A 79 -0.765 5.223 -9.831 1.00 0.00 O ATOM 333 CB ASN A 79 -3.958 5.655 -9.277 1.00 0.00 C ATOM 334 CG ASN A 79 -3.881 6.971 -8.468 1.00 0.00 C ATOM 335 OD1 ASN A 79 -3.025 7.828 -8.720 1.00 0.00 O ATOM 336 ND2 ASN A 79 -4.875 7.168 -7.555 1.00 0.00 N ATOM 0 H ASN A 79 -3.887 3.841 -7.407 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.931 3.939 -10.019 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.953 5.931 -10.331 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.932 5.212 -9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.934 8.051 -7.048 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.560 6.432 -7.380 1.00 0.00 H new ATOM 343 N GLY A 80 -1.347 5.617 -7.676 1.00 0.00 N ATOM 344 CA GLY A 80 -0.196 6.434 -7.391 1.00 0.00 C ATOM 345 C GLY A 80 1.067 5.638 -7.338 1.00 0.00 C ATOM 346 O GLY A 80 2.152 6.197 -7.491 1.00 0.00 O ATOM 0 H GLY A 80 -1.955 5.444 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.104 7.206 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.342 6.943 -6.438 1.00 0.00 H new ATOM 350 N LEU A 81 0.972 4.320 -7.088 1.00 0.00 N ATOM 351 CA LEU A 81 2.131 3.473 -7.201 1.00 0.00 C ATOM 352 C LEU A 81 2.589 3.385 -8.602 1.00 0.00 C ATOM 353 O LEU A 81 3.781 3.251 -8.829 1.00 0.00 O ATOM 354 CB LEU A 81 1.885 2.015 -6.862 1.00 0.00 C ATOM 355 CG LEU A 81 1.433 1.825 -5.415 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.465 0.645 -5.301 1.00 0.00 C ATOM 357 CD2 LEU A 81 2.670 1.675 -4.515 1.00 0.00 C ATOM 0 H LEU A 81 0.114 3.843 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 81 2.834 3.936 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.127 1.611 -7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.798 1.445 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 81 0.881 2.702 -5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.156 0.527 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.411 0.832 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.960 -0.266 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.353 1.539 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.249 0.808 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.286 2.571 -4.591 1.00 0.00 H new ATOM 369 N LYS A 82 1.657 3.405 -9.574 1.00 0.00 N ATOM 370 CA LYS A 82 1.988 3.225 -10.959 1.00 0.00 C ATOM 371 C LYS A 82 2.542 4.523 -11.454 1.00 0.00 C ATOM 372 O LYS A 82 3.321 4.561 -12.405 1.00 0.00 O ATOM 373 CB LYS A 82 0.744 2.853 -11.795 1.00 0.00 C ATOM 374 CG LYS A 82 1.032 2.380 -13.230 1.00 0.00 C ATOM 375 CD LYS A 82 1.800 1.051 -13.301 1.00 0.00 C ATOM 376 CE LYS A 82 1.973 0.543 -14.736 1.00 0.00 C ATOM 377 NZ LYS A 82 2.684 -0.754 -14.738 1.00 0.00 N ATOM 0 H LYS A 82 0.662 3.547 -9.399 1.00 0.00 H new ATOM 0 HA LYS A 82 2.707 2.412 -11.059 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.199 2.066 -11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.086 3.720 -11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.088 2.273 -13.764 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.605 3.149 -13.748 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.782 1.179 -12.845 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.271 0.299 -12.715 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.998 0.432 -15.210 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.531 1.273 -15.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.795 -1.088 -15.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.622 -0.637 -14.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.136 -1.451 -14.195 1.00 0.00 H new ATOM 391 N LYS A 83 2.161 5.622 -10.771 1.00 0.00 N ATOM 392 CA LYS A 83 2.664 6.935 -11.041 1.00 0.00 C ATOM 393 C LYS A 83 4.105 6.985 -10.631 1.00 0.00 C ATOM 394 O LYS A 83 4.914 7.642 -11.283 1.00 0.00 O ATOM 395 CB LYS A 83 1.841 8.016 -10.312 1.00 0.00 C ATOM 396 CG LYS A 83 2.178 9.448 -10.746 1.00 0.00 C ATOM 397 CD LYS A 83 1.138 10.460 -10.250 1.00 0.00 C ATOM 398 CE LYS A 83 1.534 11.915 -10.519 1.00 0.00 C ATOM 399 NZ LYS A 83 1.650 12.161 -11.974 1.00 0.00 N ATOM 0 H LYS A 83 1.483 5.595 -10.009 1.00 0.00 H new ATOM 0 HA LYS A 83 2.577 7.143 -12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.781 7.833 -10.488 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.006 7.923 -9.239 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.161 9.721 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.237 9.493 -11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.183 10.255 -10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.990 10.323 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.790 12.586 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.483 12.136 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.852 13.167 -12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.422 11.583 -12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.757 11.905 -12.442 1.00 0.00 H new ATOM 413 N ALA A 84 4.462 6.248 -9.558 1.00 0.00 N ATOM 414 CA ALA A 84 5.837 6.086 -9.175 1.00 0.00 C ATOM 415 C ALA A 84 6.514 5.217 -10.191 1.00 0.00 C ATOM 416 O ALA A 84 7.545 5.596 -10.743 1.00 0.00 O ATOM 417 CB ALA A 84 6.016 5.468 -7.779 1.00 0.00 C ATOM 0 H ALA A 84 3.798 5.763 -8.955 1.00 0.00 H new ATOM 0 HA ALA A 84 6.282 7.080 -9.133 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.079 5.375 -7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.543 6.108 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.553 4.482 -7.756 1.00 0.00 H new ATOM 423 N GLY A 85 5.922 4.038 -10.468 1.00 0.00 N ATOM 424 CA GLY A 85 6.405 3.113 -11.452 1.00 0.00 C ATOM 425 C GLY A 85 6.698 1.825 -10.767 1.00 0.00 C ATOM 426 O GLY A 85 7.582 1.079 -11.188 1.00 0.00 O ATOM 0 H GLY A 85 5.079 3.718 -9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.661 2.967 -12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.303 3.502 -11.933 1.00 0.00 H new ATOM 430 N ILE A 86 5.962 1.548 -9.676 1.00 0.00 N ATOM 431 CA ILE A 86 6.212 0.428 -8.838 1.00 0.00 C ATOM 432 C ILE A 86 5.102 -0.523 -9.136 1.00 0.00 C ATOM 433 O ILE A 86 3.932 -0.195 -8.937 1.00 0.00 O ATOM 434 CB ILE A 86 6.179 0.849 -7.383 1.00 0.00 C ATOM 435 CG1 ILE A 86 7.335 1.841 -7.107 1.00 0.00 C ATOM 436 CG2 ILE A 86 6.242 -0.389 -6.477 1.00 0.00 C ATOM 437 CD1 ILE A 86 7.303 2.448 -5.703 1.00 0.00 C ATOM 0 H ILE A 86 5.174 2.120 -9.373 1.00 0.00 H new ATOM 0 HA ILE A 86 7.191 -0.017 -9.016 1.00 0.00 H new ATOM 0 HB ILE A 86 5.243 1.362 -7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.285 1.326 -7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.295 2.645 -7.842 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.218 -0.077 -5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.388 -1.034 -6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.165 -0.935 -6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.143 3.132 -5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.369 2.992 -5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.374 1.653 -4.961 1.00 0.00 H new ATOM 449 N GLU A 87 5.457 -1.728 -9.632 1.00 0.00 N ATOM 450 CA GLU A 87 4.486 -2.772 -9.793 1.00 0.00 C ATOM 451 C GLU A 87 4.358 -3.394 -8.444 1.00 0.00 C ATOM 452 O GLU A 87 5.342 -3.827 -7.846 1.00 0.00 O ATOM 453 CB GLU A 87 4.822 -3.839 -10.859 1.00 0.00 C ATOM 454 CG GLU A 87 6.251 -4.395 -10.803 1.00 0.00 C ATOM 455 CD GLU A 87 6.419 -5.374 -11.956 1.00 0.00 C ATOM 456 OE1 GLU A 87 5.680 -6.395 -11.982 1.00 0.00 O ATOM 457 OE2 GLU A 87 7.294 -5.118 -12.826 1.00 0.00 O ATOM 0 H GLU A 87 6.404 -1.977 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 87 3.560 -2.336 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.123 -4.668 -10.752 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.656 -3.407 -11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.978 -3.587 -10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.429 -4.894 -9.850 1.00 0.00 H new ATOM 464 N LEU A 88 3.123 -3.367 -7.911 1.00 0.00 N ATOM 465 CA LEU A 88 2.890 -3.698 -6.541 1.00 0.00 C ATOM 466 C LEU A 88 1.865 -4.816 -6.529 1.00 0.00 C ATOM 467 O LEU A 88 1.622 -5.414 -7.576 1.00 0.00 O ATOM 468 CB LEU A 88 2.471 -2.425 -5.765 1.00 0.00 C ATOM 469 CG LEU A 88 2.909 -2.424 -4.290 1.00 0.00 C ATOM 470 CD1 LEU A 88 4.357 -1.943 -4.115 1.00 0.00 C ATOM 471 CD2 LEU A 88 1.931 -1.711 -3.345 1.00 0.00 C ATOM 0 H LEU A 88 2.283 -3.115 -8.432 1.00 0.00 H new ATOM 0 HA LEU A 88 3.782 -4.059 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.896 -1.552 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.387 -2.322 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 88 2.880 -3.469 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.621 -1.960 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.028 -2.601 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.451 -0.926 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.313 -1.755 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.826 -0.669 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.959 -2.202 -3.390 1.00 0.00 H new ATOM 483 N ASP A 89 1.273 -5.117 -5.339 1.00 0.00 N ATOM 484 CA ASP A 89 0.292 -6.136 -4.981 1.00 0.00 C ATOM 485 C ASP A 89 0.541 -7.576 -5.428 1.00 0.00 C ATOM 486 O ASP A 89 1.388 -7.877 -6.269 1.00 0.00 O ATOM 487 CB ASP A 89 -1.165 -5.746 -5.328 1.00 0.00 C ATOM 488 CG ASP A 89 -1.336 -5.338 -6.788 1.00 0.00 C ATOM 489 OD1 ASP A 89 -1.277 -6.233 -7.672 1.00 0.00 O ATOM 490 OD2 ASP A 89 -1.547 -4.119 -7.033 1.00 0.00 O ATOM 0 H ASP A 89 1.517 -4.569 -4.514 1.00 0.00 H new ATOM 0 HA ASP A 89 0.442 -6.147 -3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.823 -6.588 -5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.479 -4.923 -4.686 1.00 0.00 H new ATOM 495 N ARG A 90 -0.234 -8.481 -4.775 1.00 0.00 N ATOM 496 CA ARG A 90 -0.415 -9.918 -4.866 1.00 0.00 C ATOM 497 C ARG A 90 0.396 -10.807 -3.896 1.00 0.00 C ATOM 498 O ARG A 90 1.254 -11.583 -4.314 1.00 0.00 O ATOM 499 CB ARG A 90 -0.300 -10.512 -6.285 1.00 0.00 C ATOM 500 CG ARG A 90 -1.344 -9.961 -7.269 1.00 0.00 C ATOM 501 CD ARG A 90 -0.909 -10.090 -8.731 1.00 0.00 C ATOM 502 NE ARG A 90 0.178 -9.094 -8.951 1.00 0.00 N ATOM 503 CZ ARG A 90 0.861 -9.036 -10.130 1.00 0.00 C ATOM 504 NH1 ARG A 90 0.559 -9.897 -11.144 1.00 0.00 N ATOM 505 NH2 ARG A 90 1.853 -8.110 -10.292 1.00 0.00 N ATOM 0 H ARG A 90 -0.850 -8.127 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.453 -9.961 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.697 -10.309 -6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.405 -11.595 -6.226 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.286 -10.491 -7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.532 -8.912 -7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.555 -11.100 -8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.747 -9.900 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 90 0.416 -8.442 -8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.181 -10.589 -11.023 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.073 -9.849 -12.024 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.079 -7.467 -9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.367 -8.062 -11.172 1.00 0.00 H new ATOM 519 N LYS A 91 0.085 -10.708 -2.573 1.00 0.00 N ATOM 520 CA LYS A 91 0.472 -11.342 -1.330 1.00 0.00 C ATOM 521 C LYS A 91 1.889 -11.606 -1.062 1.00 0.00 C ATOM 522 O LYS A 91 2.351 -12.745 -1.073 1.00 0.00 O ATOM 523 CB LYS A 91 -0.459 -12.438 -0.758 1.00 0.00 C ATOM 524 CG LYS A 91 -1.723 -12.730 -1.575 1.00 0.00 C ATOM 525 CD LYS A 91 -1.500 -13.580 -2.833 1.00 0.00 C ATOM 526 CE LYS A 91 -2.495 -13.220 -3.939 1.00 0.00 C ATOM 527 NZ LYS A 91 -2.239 -14.026 -5.150 1.00 0.00 N ATOM 0 H LYS A 91 -0.613 -10.003 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 91 0.280 -10.455 -0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.112 -13.362 -0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.759 -12.145 0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.442 -13.239 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.174 -11.782 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.483 -13.434 -3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.600 -14.636 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.513 -13.392 -3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.414 -12.159 -4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.923 -13.768 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.274 -13.842 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.339 -15.036 -4.922 1.00 0.00 H new ATOM 541 N ILE A 92 2.589 -10.494 -0.761 1.00 0.00 N ATOM 542 CA ILE A 92 3.983 -10.496 -0.461 1.00 0.00 C ATOM 543 C ILE A 92 4.220 -9.356 0.499 1.00 0.00 C ATOM 544 O ILE A 92 4.901 -9.539 1.505 1.00 0.00 O ATOM 545 CB ILE A 92 4.847 -10.247 -1.687 1.00 0.00 C ATOM 546 CG1 ILE A 92 4.472 -11.183 -2.870 1.00 0.00 C ATOM 547 CG2 ILE A 92 6.340 -10.315 -1.292 1.00 0.00 C ATOM 548 CD1 ILE A 92 5.558 -11.386 -3.928 1.00 0.00 C ATOM 0 H ILE A 92 2.167 -9.566 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 92 4.251 -11.472 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 92 4.653 -9.242 -2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 92 4.199 -12.157 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.585 -10.781 -3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 92 6.958 -10.136 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.552 -9.556 -0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.564 -11.301 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.189 -12.056 -4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.818 -10.425 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.442 -11.823 -3.463 1.00 0.00 H new ATOM 560 N LEU A 93 3.693 -8.136 0.201 1.00 0.00 N ATOM 561 CA LEU A 93 4.242 -6.940 0.790 1.00 0.00 C ATOM 562 C LEU A 93 3.263 -6.613 1.774 1.00 0.00 C ATOM 563 O LEU A 93 3.548 -5.880 2.704 1.00 0.00 O ATOM 564 CB LEU A 93 4.072 -5.741 -0.108 1.00 0.00 C ATOM 565 CG LEU A 93 3.871 -4.255 0.346 1.00 0.00 C ATOM 566 CD1 LEU A 93 4.340 -3.238 -0.714 1.00 0.00 C ATOM 567 CD2 LEU A 93 2.432 -3.853 0.751 1.00 0.00 C ATOM 0 H LEU A 93 2.907 -7.984 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 93 5.282 -7.112 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.951 -5.732 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.215 -5.971 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 93 4.493 -4.218 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.176 -2.226 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.401 -3.384 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.774 -3.384 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.417 -2.804 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.761 -4.002 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.104 -4.470 1.588 1.00 0.00 H new ATOM 579 N ALA A 94 2.033 -7.096 1.533 1.00 0.00 N ATOM 580 CA ALA A 94 0.964 -6.951 2.447 1.00 0.00 C ATOM 581 C ALA A 94 1.033 -8.007 3.482 1.00 0.00 C ATOM 582 O ALA A 94 0.044 -8.398 4.088 1.00 0.00 O ATOM 583 CB ALA A 94 -0.338 -7.091 1.719 1.00 0.00 C ATOM 0 H ALA A 94 1.783 -7.598 0.681 1.00 0.00 H new ATOM 0 HA ALA A 94 1.036 -5.969 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.162 -6.979 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.410 -6.321 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.390 -8.075 1.253 1.00 0.00 H new ATOM 589 N ASP A 95 2.258 -8.456 3.716 1.00 0.00 N ATOM 590 CA ASP A 95 2.650 -8.979 4.966 1.00 0.00 C ATOM 591 C ASP A 95 2.906 -7.710 5.694 1.00 0.00 C ATOM 592 O ASP A 95 2.363 -7.459 6.761 1.00 0.00 O ATOM 593 CB ASP A 95 4.016 -9.646 4.867 1.00 0.00 C ATOM 594 CG ASP A 95 4.842 -9.527 6.145 1.00 0.00 C ATOM 595 OD1 ASP A 95 4.397 -10.080 7.187 1.00 0.00 O ATOM 596 OD2 ASP A 95 5.935 -8.902 6.093 1.00 0.00 O ATOM 0 H ASP A 95 3.000 -8.456 3.016 1.00 0.00 H new ATOM 0 HA ASP A 95 1.936 -9.690 5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.881 -10.701 4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.571 -9.200 4.042 1.00 0.00 H new ATOM 601 N MET A 96 3.763 -6.855 5.109 1.00 0.00 N ATOM 602 CA MET A 96 4.165 -5.666 5.827 1.00 0.00 C ATOM 603 C MET A 96 3.004 -4.712 5.944 1.00 0.00 C ATOM 604 O MET A 96 2.933 -3.961 6.907 1.00 0.00 O ATOM 605 CB MET A 96 5.405 -4.950 5.242 1.00 0.00 C ATOM 606 CG MET A 96 5.404 -3.419 5.119 1.00 0.00 C ATOM 607 SD MET A 96 4.813 -2.762 3.545 1.00 0.00 S ATOM 608 CE MET A 96 6.445 -2.879 2.751 1.00 0.00 C ATOM 0 H MET A 96 4.168 -6.969 4.180 1.00 0.00 H new ATOM 0 HA MET A 96 4.471 -6.006 6.816 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.263 -5.228 5.855 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.579 -5.358 4.246 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.786 -3.009 5.918 1.00 0.00 H new ATOM 0 HG3 MET A 96 6.419 -3.059 5.284 1.00 0.00 H new ATOM 0 HE1 MET A 96 6.365 -2.574 1.708 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.148 -2.226 3.267 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.801 -3.908 2.802 1.00 0.00 H new ATOM 618 N ALA A 97 2.045 -4.718 4.997 1.00 0.00 N ATOM 619 CA ALA A 97 0.978 -3.750 5.003 1.00 0.00 C ATOM 620 C ALA A 97 0.170 -3.807 6.259 1.00 0.00 C ATOM 621 O ALA A 97 -0.323 -2.789 6.743 1.00 0.00 O ATOM 622 CB ALA A 97 -0.022 -3.885 3.849 1.00 0.00 C ATOM 0 H ALA A 97 2.005 -5.388 4.229 1.00 0.00 H new ATOM 0 HA ALA A 97 1.513 -2.806 4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.787 -3.114 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.500 -3.769 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.491 -4.868 3.887 1.00 0.00 H new ATOM 628 N VAL A 98 0.035 -5.024 6.806 1.00 0.00 N ATOM 629 CA VAL A 98 -0.836 -5.300 7.900 1.00 0.00 C ATOM 630 C VAL A 98 0.011 -5.372 9.129 1.00 0.00 C ATOM 631 O VAL A 98 -0.307 -4.780 10.159 1.00 0.00 O ATOM 632 CB VAL A 98 -1.511 -6.646 7.738 1.00 0.00 C ATOM 633 CG1 VAL A 98 -2.783 -6.683 8.604 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.753 -6.926 6.243 1.00 0.00 C ATOM 0 H VAL A 98 0.548 -5.842 6.477 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.600 -4.524 7.954 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.874 -7.455 8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.272 -7.650 8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.516 -6.532 9.650 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.463 -5.893 8.286 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.239 -7.895 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.392 -6.148 5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.799 -6.934 5.715 1.00 0.00 H new ATOM 644 N ARG A 99 1.107 -6.150 9.028 1.00 0.00 N ATOM 645 CA ARG A 99 1.772 -6.703 10.168 1.00 0.00 C ATOM 646 C ARG A 99 3.009 -5.907 10.489 1.00 0.00 C ATOM 647 O ARG A 99 3.523 -6.010 11.603 1.00 0.00 O ATOM 648 CB ARG A 99 2.100 -8.207 9.967 1.00 0.00 C ATOM 649 CG ARG A 99 0.836 -9.068 9.719 1.00 0.00 C ATOM 650 CD ARG A 99 0.703 -9.720 8.328 1.00 0.00 C ATOM 651 NE ARG A 99 1.061 -11.161 8.467 1.00 0.00 N ATOM 652 CZ ARG A 99 0.861 -12.036 7.436 1.00 0.00 C ATOM 653 NH1 ARG A 99 0.285 -11.612 6.274 1.00 0.00 N ATOM 654 NH2 ARG A 99 1.240 -13.340 7.570 1.00 0.00 N ATOM 0 H ARG A 99 1.538 -6.399 8.138 1.00 0.00 H new ATOM 0 HA ARG A 99 1.094 -6.639 11.019 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.780 -8.316 9.122 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.622 -8.581 10.847 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.811 -9.859 10.469 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.040 -8.442 9.886 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.314 -9.613 7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.362 -9.230 7.611 1.00 0.00 H new ATOM 0 HE ARG A 99 1.460 -11.498 9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.001 -10.638 6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.138 -12.269 5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.671 -13.659 8.438 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.092 -13.995 6.803 1.00 0.00 H new ATOM 668 N ASP A 100 3.497 -5.062 9.545 1.00 0.00 N ATOM 669 CA ASP A 100 4.524 -4.084 9.807 1.00 0.00 C ATOM 670 C ASP A 100 4.044 -2.713 9.392 1.00 0.00 C ATOM 671 O ASP A 100 4.480 -2.220 8.359 1.00 0.00 O ATOM 672 CB ASP A 100 5.788 -4.387 8.985 1.00 0.00 C ATOM 673 CG ASP A 100 7.027 -3.712 9.566 1.00 0.00 C ATOM 674 OD1 ASP A 100 6.906 -2.975 10.578 1.00 0.00 O ATOM 675 OD2 ASP A 100 8.126 -3.930 8.988 1.00 0.00 O ATOM 0 H ASP A 100 3.170 -5.060 8.579 1.00 0.00 H new ATOM 0 HA ASP A 100 4.748 -4.119 10.873 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.946 -5.465 8.949 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.641 -4.052 7.958 1.00 0.00 H new ATOM 680 N PRO A 101 3.178 -2.040 10.107 1.00 0.00 N ATOM 681 CA PRO A 101 2.531 -0.840 9.638 1.00 0.00 C ATOM 682 C PRO A 101 3.468 0.331 9.720 1.00 0.00 C ATOM 683 O PRO A 101 3.075 1.411 9.289 1.00 0.00 O ATOM 684 CB PRO A 101 1.341 -0.643 10.580 1.00 0.00 C ATOM 685 CG PRO A 101 1.695 -1.445 11.836 1.00 0.00 C ATOM 686 CD PRO A 101 2.562 -2.575 11.292 1.00 0.00 C ATOM 0 HA PRO A 101 2.222 -0.920 8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.192 0.411 10.813 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.416 -1.003 10.129 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.234 -0.838 12.563 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.804 -1.825 12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.312 -2.882 12.021 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.962 -3.455 11.061 1.00 0.00 H new ATOM 694 N GLN A 102 4.695 0.148 10.251 1.00 0.00 N ATOM 695 CA GLN A 102 5.685 1.181 10.274 1.00 0.00 C ATOM 696 C GLN A 102 6.238 1.290 8.892 1.00 0.00 C ATOM 697 O GLN A 102 6.386 2.388 8.360 1.00 0.00 O ATOM 698 CB GLN A 102 6.862 0.854 11.215 1.00 0.00 C ATOM 699 CG GLN A 102 6.439 0.634 12.674 1.00 0.00 C ATOM 700 CD GLN A 102 5.760 1.901 13.193 1.00 0.00 C ATOM 701 OE1 GLN A 102 6.364 2.979 13.246 1.00 0.00 O ATOM 702 NE2 GLN A 102 4.457 1.746 13.585 1.00 0.00 N ATOM 0 H GLN A 102 5.002 -0.730 10.670 1.00 0.00 H new ATOM 0 HA GLN A 102 5.214 2.098 10.627 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.368 -0.041 10.853 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.586 1.668 11.174 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.758 -0.214 12.744 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.309 0.396 13.286 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.010 0.832 13.519 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.934 2.545 13.943 1.00 0.00 H new ATOM 711 N ALA A 103 6.548 0.128 8.287 1.00 0.00 N ATOM 712 CA ALA A 103 7.120 0.071 6.976 1.00 0.00 C ATOM 713 C ALA A 103 6.035 0.258 5.963 1.00 0.00 C ATOM 714 O ALA A 103 6.260 0.882 4.925 1.00 0.00 O ATOM 715 CB ALA A 103 7.834 -1.258 6.717 1.00 0.00 C ATOM 0 H ALA A 103 6.399 -0.786 8.714 1.00 0.00 H new ATOM 0 HA ALA A 103 7.863 0.865 6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.252 -1.256 5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.636 -1.387 7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.122 -2.078 6.813 1.00 0.00 H new ATOM 721 N PHE A 104 4.815 -0.254 6.237 1.00 0.00 N ATOM 722 CA PHE A 104 3.697 0.145 5.410 1.00 0.00 C ATOM 723 C PHE A 104 3.507 1.630 5.325 1.00 0.00 C ATOM 724 O PHE A 104 3.195 2.141 4.253 1.00 0.00 O ATOM 725 CB PHE A 104 2.338 -0.396 5.866 1.00 0.00 C ATOM 726 CG PHE A 104 1.299 -0.251 4.781 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.548 -0.581 3.453 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.018 0.140 5.127 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.550 -0.511 2.505 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.981 0.207 4.176 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.719 -0.116 2.862 1.00 0.00 C ATOM 0 H PHE A 104 4.602 -0.910 6.988 1.00 0.00 H new ATOM 0 HA PHE A 104 3.982 -0.283 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 104 2.436 -1.446 6.141 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.012 0.138 6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.538 -0.897 3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.203 0.396 6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.765 -0.767 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.975 0.515 4.464 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.502 -0.060 2.120 1.00 0.00 H new ATOM 741 N GLU A 105 3.698 2.368 6.438 1.00 0.00 N ATOM 742 CA GLU A 105 3.522 3.795 6.418 1.00 0.00 C ATOM 743 C GLU A 105 4.628 4.492 5.685 1.00 0.00 C ATOM 744 O GLU A 105 4.477 5.662 5.348 1.00 0.00 O ATOM 745 CB GLU A 105 3.432 4.423 7.822 1.00 0.00 C ATOM 746 CG GLU A 105 2.032 4.330 8.447 1.00 0.00 C ATOM 747 CD GLU A 105 1.162 5.474 7.934 1.00 0.00 C ATOM 748 OE1 GLU A 105 0.899 5.537 6.705 1.00 0.00 O ATOM 749 OE2 GLU A 105 0.741 6.305 8.783 1.00 0.00 O ATOM 0 H GLU A 105 3.971 1.984 7.343 1.00 0.00 H new ATOM 0 HA GLU A 105 2.573 3.937 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.148 3.929 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.725 5.471 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.575 3.373 8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.105 4.375 9.534 1.00 0.00 H new ATOM 756 N GLN A 106 5.750 3.802 5.394 1.00 0.00 N ATOM 757 CA GLN A 106 6.806 4.351 4.587 1.00 0.00 C ATOM 758 C GLN A 106 6.459 4.229 3.137 1.00 0.00 C ATOM 759 O GLN A 106 6.831 5.082 2.332 1.00 0.00 O ATOM 760 CB GLN A 106 8.129 3.592 4.731 1.00 0.00 C ATOM 761 CG GLN A 106 8.842 3.881 6.052 1.00 0.00 C ATOM 762 CD GLN A 106 10.157 3.107 6.075 1.00 0.00 C ATOM 763 OE1 GLN A 106 10.178 1.875 5.971 1.00 0.00 O ATOM 764 NE2 GLN A 106 11.283 3.870 6.219 1.00 0.00 N ATOM 0 H GLN A 106 5.928 2.853 5.721 1.00 0.00 H new ATOM 0 HA GLN A 106 6.916 5.381 4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.938 2.522 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.787 3.859 3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.030 4.950 6.154 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.215 3.586 6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.205 4.884 6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.201 3.425 6.245 1.00 0.00 H new ATOM 773 N VAL A 107 5.742 3.147 2.776 1.00 0.00 N ATOM 774 CA VAL A 107 5.320 2.921 1.409 1.00 0.00 C ATOM 775 C VAL A 107 4.299 3.965 1.068 1.00 0.00 C ATOM 776 O VAL A 107 4.255 4.478 -0.046 1.00 0.00 O ATOM 777 CB VAL A 107 4.704 1.551 1.164 1.00 0.00 C ATOM 778 CG1 VAL A 107 4.195 1.434 -0.287 1.00 0.00 C ATOM 779 CG2 VAL A 107 5.765 0.472 1.433 1.00 0.00 C ATOM 0 H VAL A 107 5.449 2.420 3.429 1.00 0.00 H new ATOM 0 HA VAL A 107 6.212 2.975 0.785 1.00 0.00 H new ATOM 0 HB VAL A 107 3.856 1.415 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.758 0.447 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.439 2.198 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.027 1.574 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.333 -0.514 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.612 0.620 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.103 0.544 2.467 1.00 0.00 H new ATOM 789 N VAL A 108 3.455 4.313 2.048 1.00 0.00 N ATOM 790 CA VAL A 108 2.408 5.277 1.892 1.00 0.00 C ATOM 791 C VAL A 108 3.015 6.653 1.905 1.00 0.00 C ATOM 792 O VAL A 108 2.528 7.567 1.244 1.00 0.00 O ATOM 793 CB VAL A 108 1.443 5.103 3.043 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.508 6.308 3.191 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.663 3.797 2.805 1.00 0.00 C ATOM 0 H VAL A 108 3.499 3.911 2.985 1.00 0.00 H new ATOM 0 HA VAL A 108 1.876 5.141 0.950 1.00 0.00 H new ATOM 0 HB VAL A 108 1.992 5.042 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.169 6.142 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.098 7.206 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.071 6.434 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.044 3.642 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.120 3.864 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.359 2.960 2.764 1.00 0.00 H new ATOM 805 N ASN A 109 4.128 6.830 2.638 1.00 0.00 N ATOM 806 CA ASN A 109 4.814 8.097 2.686 1.00 0.00 C ATOM 807 C ASN A 109 5.478 8.344 1.362 1.00 0.00 C ATOM 808 O ASN A 109 5.728 9.487 0.982 1.00 0.00 O ATOM 809 CB ASN A 109 5.901 8.145 3.779 1.00 0.00 C ATOM 810 CG ASN A 109 6.479 9.556 3.896 1.00 0.00 C ATOM 811 OD1 ASN A 109 5.788 10.491 4.318 1.00 0.00 O ATOM 812 ND2 ASN A 109 7.787 9.694 3.520 1.00 0.00 N ATOM 0 H ASN A 109 4.559 6.097 3.202 1.00 0.00 H new ATOM 0 HA ASN A 109 4.067 8.857 2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.477 7.838 4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.696 7.438 3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.242 10.605 3.581 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.308 8.886 3.179 1.00 0.00 H new ATOM 819 N LYS A 110 5.768 7.268 0.609 1.00 0.00 N ATOM 820 CA LYS A 110 6.246 7.431 -0.727 1.00 0.00 C ATOM 821 C LYS A 110 5.102 7.902 -1.575 1.00 0.00 C ATOM 822 O LYS A 110 5.251 8.893 -2.274 1.00 0.00 O ATOM 823 CB LYS A 110 6.827 6.136 -1.319 1.00 0.00 C ATOM 824 CG LYS A 110 7.531 6.338 -2.667 1.00 0.00 C ATOM 825 CD LYS A 110 8.100 5.036 -3.249 1.00 0.00 C ATOM 826 CE LYS A 110 9.240 4.430 -2.424 1.00 0.00 C ATOM 827 NZ LYS A 110 9.750 3.206 -3.080 1.00 0.00 N ATOM 0 H LYS A 110 5.673 6.301 0.919 1.00 0.00 H new ATOM 0 HA LYS A 110 7.059 8.157 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.535 5.708 -0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.023 5.411 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.826 6.769 -3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.340 7.058 -2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.296 4.305 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.459 5.229 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.046 5.156 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.887 4.193 -1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.523 2.804 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.982 2.510 -3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.105 3.443 -4.029 1.00 0.00 H new ATOM 841 N VAL A 111 3.954 7.191 -1.542 1.00 0.00 N ATOM 842 CA VAL A 111 2.795 7.412 -2.380 1.00 0.00 C ATOM 843 C VAL A 111 1.810 8.311 -1.695 1.00 0.00 C ATOM 844 O VAL A 111 0.598 8.183 -1.853 1.00 0.00 O ATOM 845 CB VAL A 111 2.175 6.076 -2.766 1.00 0.00 C ATOM 846 CG1 VAL A 111 1.157 6.189 -3.915 1.00 0.00 C ATOM 847 CG2 VAL A 111 3.304 5.181 -3.296 1.00 0.00 C ATOM 0 H VAL A 111 3.822 6.415 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 111 3.103 7.916 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 111 1.668 5.688 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.753 5.202 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.346 6.854 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.650 6.590 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.896 4.212 -3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.765 5.652 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.054 5.042 -2.518 1.00 0.00 H new ATOM 857 N LYS A 112 2.303 9.269 -0.901 1.00 0.00 N ATOM 858 CA LYS A 112 1.598 10.503 -0.729 1.00 0.00 C ATOM 859 C LYS A 112 2.197 11.510 -1.648 1.00 0.00 C ATOM 860 O LYS A 112 1.510 12.377 -2.181 1.00 0.00 O ATOM 861 CB LYS A 112 1.551 10.984 0.741 1.00 0.00 C ATOM 862 CG LYS A 112 2.889 11.224 1.459 1.00 0.00 C ATOM 863 CD LYS A 112 3.436 12.654 1.372 1.00 0.00 C ATOM 864 CE LYS A 112 4.809 12.822 2.026 1.00 0.00 C ATOM 865 NZ LYS A 112 5.316 14.193 1.795 1.00 0.00 N ATOM 0 H LYS A 112 3.178 9.197 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 112 0.550 10.351 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.983 11.914 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.989 10.248 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.770 10.962 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.632 10.543 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 112 3.503 12.946 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.730 13.334 1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.737 12.628 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.508 12.093 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 6.249 14.298 2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.401 14.364 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.655 14.882 2.207 1.00 0.00 H new ATOM 879 N GLU A 113 3.512 11.392 -1.849 1.00 0.00 N ATOM 880 CA GLU A 113 4.273 12.345 -2.600 1.00 0.00 C ATOM 881 C GLU A 113 4.280 11.965 -4.044 1.00 0.00 C ATOM 882 O GLU A 113 4.129 12.795 -4.932 1.00 0.00 O ATOM 883 CB GLU A 113 5.736 12.326 -2.149 1.00 0.00 C ATOM 884 CG GLU A 113 6.524 13.529 -2.665 1.00 0.00 C ATOM 885 CD GLU A 113 7.912 13.479 -2.046 1.00 0.00 C ATOM 886 OE1 GLU A 113 8.636 12.479 -2.300 1.00 0.00 O ATOM 887 OE2 GLU A 113 8.266 14.437 -1.309 1.00 0.00 O ATOM 0 H GLU A 113 4.067 10.618 -1.484 1.00 0.00 H new ATOM 0 HA GLU A 113 3.822 13.325 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 113 5.777 12.309 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 113 6.209 11.409 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 113 6.590 13.504 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 113 6.020 14.458 -2.398 1.00 0.00 H new ATOM 894 N ALA A 114 4.467 10.663 -4.311 1.00 0.00 N ATOM 895 CA ALA A 114 4.485 10.140 -5.650 1.00 0.00 C ATOM 896 C ALA A 114 3.087 10.124 -6.156 1.00 0.00 C ATOM 897 O ALA A 114 2.862 10.108 -7.364 1.00 0.00 O ATOM 898 CB ALA A 114 4.995 8.696 -5.758 1.00 0.00 C ATOM 0 H ALA A 114 4.609 9.956 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 114 5.161 10.780 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.976 8.380 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.016 8.642 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.355 8.039 -5.168 1.00 0.00 H new ATOM 904 N LEU A 115 2.117 10.146 -5.224 1.00 0.00 N ATOM 905 CA LEU A 115 0.738 10.283 -5.560 1.00 0.00 C ATOM 906 C LEU A 115 0.513 11.683 -6.017 1.00 0.00 C ATOM 907 O LEU A 115 0.422 11.954 -7.214 1.00 0.00 O ATOM 908 CB LEU A 115 -0.139 9.954 -4.349 1.00 0.00 C ATOM 909 CG LEU A 115 -1.641 10.146 -4.593 1.00 0.00 C ATOM 910 CD1 LEU A 115 -2.236 9.113 -5.567 1.00 0.00 C ATOM 911 CD2 LEU A 115 -2.410 10.185 -3.263 1.00 0.00 C ATOM 0 H LEU A 115 2.295 10.067 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 115 0.469 9.588 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.041 8.920 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.165 10.582 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.757 11.112 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.301 9.305 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.734 9.191 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.095 8.110 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.473 10.322 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.259 9.248 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -2.045 11.013 -2.656 1.00 0.00 H new