USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 467 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 67 CYS SG : rot -130:sc= 1.59 USER MOD Set 1.2: A 76 CYS SG : rot -178:sc= 0.822 USER MOD Set 1.3: A 112 CYS SG : rot -74:sc= 2.17 USER MOD Set 1.4: A 115 HIS : no HE2:sc= 0.116 K(o=4.7,f=2.8) USER MOD Single : A 65 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.5!) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.674 K(o=-0.67,f=-0.095) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= -0.15 (180deg=-0.81) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= -0.141 (180deg=-0.932) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.5) USER MOD Single : A 96 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.03) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 145:sc= -0.261 (180deg=-1.31!) USER MOD Single : A 104 LYS NZ :NH3+ -172:sc= -0.763 (180deg=-0.928) USER MOD Single : A 105 SER OG : rot 106:sc= 0.37 USER MOD Single : A 108 HIS : no HD1:sc= -0.875 K(o=-0.88,f=-2.6!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -167:sc= -1.48 (180deg=-1.91) USER MOD Single : A 117 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.023) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot -45:sc= 0.257 USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 65 -11.585 -5.648 7.786 1.00 0.00 N ATOM 46 CA GLN A 65 -11.333 -5.860 6.367 1.00 0.00 C ATOM 47 C GLN A 65 -9.907 -6.335 6.117 1.00 0.00 C ATOM 48 O GLN A 65 -9.116 -6.490 7.046 1.00 0.00 O ATOM 49 CB GLN A 65 -11.586 -4.565 5.598 1.00 0.00 C ATOM 50 CG GLN A 65 -13.007 -4.048 5.733 1.00 0.00 C ATOM 51 CD GLN A 65 -13.084 -2.537 5.640 1.00 0.00 C ATOM 52 OE1 GLN A 65 -12.173 -1.831 6.070 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.174 -2.034 5.073 1.00 0.00 N ATOM 0 HA GLN A 65 -12.013 -6.637 6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.895 -3.800 5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.366 -4.729 4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.627 -4.489 4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.419 -4.372 6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.905 -2.658 4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.281 -1.024 4.980 1.00 0.00 H new ATOM 62 N LEU A 66 -9.592 -6.561 4.847 1.00 0.00 N ATOM 63 CA LEU A 66 -8.266 -7.013 4.456 1.00 0.00 C ATOM 64 C LEU A 66 -7.662 -6.077 3.414 1.00 0.00 C ATOM 65 O LEU A 66 -8.374 -5.317 2.756 1.00 0.00 O ATOM 66 CB LEU A 66 -8.329 -8.437 3.899 1.00 0.00 C ATOM 67 CG LEU A 66 -8.971 -9.471 4.826 1.00 0.00 C ATOM 68 CD1 LEU A 66 -8.925 -10.854 4.195 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.277 -9.477 6.180 1.00 0.00 C ATOM 0 H LEU A 66 -10.241 -6.438 4.070 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.632 -7.006 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.884 -8.419 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.316 -8.763 3.663 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.015 -9.197 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.386 -11.577 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.468 -10.841 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.888 -11.137 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.747 -10.218 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.224 -9.726 6.048 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.362 -8.491 6.637 1.00 0.00 H new ATOM 81 N CYS A 67 -6.345 -6.141 3.275 1.00 0.00 N ATOM 82 CA CYS A 67 -5.618 -5.314 2.315 1.00 0.00 C ATOM 83 C CYS A 67 -6.309 -5.320 0.947 1.00 0.00 C ATOM 84 O CYS A 67 -6.948 -6.304 0.576 1.00 0.00 O ATOM 85 CB CYS A 67 -4.192 -5.849 2.187 1.00 0.00 C ATOM 86 SG CYS A 67 -3.054 -4.773 1.291 1.00 0.00 S ATOM 0 H CYS A 67 -5.750 -6.764 3.821 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.601 -4.284 2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.794 -6.023 3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.226 -6.816 1.685 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.431 -5.462 0.382 1.00 0.00 H new ATOM 91 N CYS A 68 -6.183 -4.218 0.204 1.00 0.00 N ATOM 92 CA CYS A 68 -6.800 -4.119 -1.121 1.00 0.00 C ATOM 93 C CYS A 68 -5.759 -4.226 -2.241 1.00 0.00 C ATOM 94 O CYS A 68 -6.080 -4.036 -3.414 1.00 0.00 O ATOM 95 CB CYS A 68 -7.578 -2.808 -1.262 1.00 0.00 C ATOM 96 SG CYS A 68 -6.538 -1.336 -1.395 1.00 0.00 S ATOM 0 H CYS A 68 -5.664 -3.389 0.494 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.490 -4.957 -1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.214 -2.870 -2.145 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.237 -2.696 -0.401 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.290 -0.282 -1.512 1.00 0.00 H new ATOM 102 N LEU A 69 -4.515 -4.520 -1.875 1.00 0.00 N ATOM 103 CA LEU A 69 -3.444 -4.676 -2.848 1.00 0.00 C ATOM 104 C LEU A 69 -3.179 -6.158 -3.072 1.00 0.00 C ATOM 105 O LEU A 69 -3.550 -6.991 -2.245 1.00 0.00 O ATOM 106 CB LEU A 69 -2.162 -3.988 -2.368 1.00 0.00 C ATOM 107 CG LEU A 69 -2.292 -2.493 -2.065 1.00 0.00 C ATOM 108 CD1 LEU A 69 -0.972 -1.941 -1.546 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.736 -1.733 -3.305 1.00 0.00 C ATOM 0 H LEU A 69 -4.225 -4.655 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.752 -4.208 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.813 -4.495 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.392 -4.122 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.050 -2.362 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.080 -0.877 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.692 -2.465 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.197 -2.085 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.823 -0.672 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.001 -1.870 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.703 -2.111 -3.637 1.00 0.00 H new ATOM 121 N ARG A 70 -2.539 -6.487 -4.185 1.00 0.00 N ATOM 122 CA ARG A 70 -2.242 -7.877 -4.498 1.00 0.00 C ATOM 123 C ARG A 70 -0.755 -8.079 -4.750 1.00 0.00 C ATOM 124 O ARG A 70 -0.188 -7.496 -5.673 1.00 0.00 O ATOM 125 CB ARG A 70 -3.030 -8.323 -5.728 1.00 0.00 C ATOM 126 CG ARG A 70 -4.519 -8.041 -5.637 1.00 0.00 C ATOM 127 CD ARG A 70 -5.177 -8.156 -7.000 1.00 0.00 C ATOM 128 NE ARG A 70 -5.190 -9.531 -7.489 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.102 -9.872 -8.775 1.00 0.00 C ATOM 130 NH1 ARG A 70 -4.973 -8.947 -9.720 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.144 -11.151 -9.119 1.00 0.00 N ATOM 0 H ARG A 70 -2.217 -5.815 -4.882 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.535 -8.480 -3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.628 -7.821 -6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.881 -9.393 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.984 -8.742 -4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.680 -7.041 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.199 -7.783 -6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.647 -7.523 -7.712 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.272 -10.280 -6.802 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.940 -7.960 -9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.907 -9.224 -10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.243 -11.869 -8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.077 -11.417 -10.101 1.00 0.00 H new ATOM 145 N GLU A 71 -0.124 -8.903 -3.921 1.00 0.00 N ATOM 146 CA GLU A 71 1.293 -9.190 -4.076 1.00 0.00 C ATOM 147 C GLU A 71 1.481 -10.517 -4.801 1.00 0.00 C ATOM 148 O GLU A 71 1.066 -11.568 -4.310 1.00 0.00 O ATOM 149 CB GLU A 71 1.992 -9.229 -2.716 1.00 0.00 C ATOM 150 CG GLU A 71 3.489 -9.466 -2.816 1.00 0.00 C ATOM 151 CD GLU A 71 4.180 -9.431 -1.468 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.499 -9.148 -0.459 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.401 -9.686 -1.421 1.00 0.00 O ATOM 0 H GLU A 71 -0.571 -9.381 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 71 1.742 -8.393 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.814 -8.287 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.546 -10.017 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.669 -10.433 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.930 -8.709 -3.465 1.00 0.00 H new ATOM 160 N ASP A 72 2.101 -10.460 -5.975 1.00 0.00 N ATOM 161 CA ASP A 72 2.329 -11.653 -6.781 1.00 0.00 C ATOM 162 C ASP A 72 1.008 -12.343 -7.100 1.00 0.00 C ATOM 163 O ASP A 72 0.922 -13.572 -7.118 1.00 0.00 O ATOM 164 CB ASP A 72 3.273 -12.618 -6.060 1.00 0.00 C ATOM 165 CG ASP A 72 4.727 -12.213 -6.206 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.019 -11.003 -6.102 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.573 -13.105 -6.434 1.00 0.00 O ATOM 0 H ASP A 72 2.455 -9.598 -6.390 1.00 0.00 H new ATOM 0 HA ASP A 72 2.796 -11.349 -7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.013 -12.656 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.136 -13.623 -6.458 1.00 0.00 H new ATOM 172 N GLY A 73 -0.023 -11.538 -7.347 1.00 0.00 N ATOM 173 CA GLY A 73 -1.333 -12.072 -7.670 1.00 0.00 C ATOM 174 C GLY A 73 -2.115 -12.517 -6.448 1.00 0.00 C ATOM 175 O GLY A 73 -3.296 -12.850 -6.556 1.00 0.00 O ATOM 0 H GLY A 73 0.028 -10.519 -7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.906 -11.314 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.216 -12.918 -8.347 1.00 0.00 H new ATOM 179 N GLU A 74 -1.472 -12.524 -5.282 1.00 0.00 N ATOM 180 CA GLU A 74 -2.142 -12.934 -4.056 1.00 0.00 C ATOM 181 C GLU A 74 -2.598 -11.724 -3.252 1.00 0.00 C ATOM 182 O GLU A 74 -1.839 -10.778 -3.042 1.00 0.00 O ATOM 183 CB GLU A 74 -1.235 -13.838 -3.217 1.00 0.00 C ATOM 184 CG GLU A 74 -0.997 -15.207 -3.842 1.00 0.00 C ATOM 185 CD GLU A 74 -2.252 -15.795 -4.467 1.00 0.00 C ATOM 186 OE1 GLU A 74 -3.183 -16.151 -3.715 1.00 0.00 O ATOM 187 OE2 GLU A 74 -2.305 -15.888 -5.711 1.00 0.00 O ATOM 0 H GLU A 74 -0.496 -12.252 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.028 -13.506 -4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.275 -13.342 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.679 -13.970 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.222 -15.124 -4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.622 -15.890 -3.079 1.00 0.00 H new ATOM 194 N ARG A 75 -3.847 -11.776 -2.802 1.00 0.00 N ATOM 195 CA ARG A 75 -4.450 -10.682 -2.049 1.00 0.00 C ATOM 196 C ARG A 75 -3.840 -10.513 -0.658 1.00 0.00 C ATOM 197 O ARG A 75 -4.502 -10.746 0.352 1.00 0.00 O ATOM 198 CB ARG A 75 -5.955 -10.907 -1.933 1.00 0.00 C ATOM 199 CG ARG A 75 -6.637 -11.125 -3.274 1.00 0.00 C ATOM 200 CD ARG A 75 -7.308 -9.858 -3.780 1.00 0.00 C ATOM 201 NE ARG A 75 -8.365 -9.406 -2.875 1.00 0.00 N ATOM 202 CZ ARG A 75 -9.540 -8.908 -3.266 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.827 -8.756 -4.555 1.00 0.00 N ATOM 204 NH2 ARG A 75 -10.435 -8.551 -2.356 1.00 0.00 N ATOM 0 H ARG A 75 -4.467 -12.573 -2.948 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.247 -9.763 -2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.138 -11.772 -1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.407 -10.047 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.902 -11.463 -4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.380 -11.917 -3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.562 -9.071 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.729 -10.039 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.191 -9.477 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.144 -9.022 -5.264 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.730 -8.374 -4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.224 -8.658 -1.364 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.335 -8.170 -2.648 1.00 0.00 H new ATOM 218 N CYS A 76 -2.575 -10.107 -0.625 1.00 0.00 N ATOM 219 CA CYS A 76 -1.855 -9.857 0.626 1.00 0.00 C ATOM 220 C CYS A 76 -2.218 -10.863 1.735 1.00 0.00 C ATOM 221 O CYS A 76 -1.570 -11.902 1.864 1.00 0.00 O ATOM 222 CB CYS A 76 -2.112 -8.409 1.067 1.00 0.00 C ATOM 223 SG CYS A 76 -0.997 -7.794 2.348 1.00 0.00 S ATOM 0 H CYS A 76 -2.017 -9.941 -1.463 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.790 -9.999 0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.033 -7.760 0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.137 -8.332 1.430 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.335 -6.581 2.671 1.00 0.00 H new ATOM 228 N GLY A 77 -3.249 -10.565 2.530 1.00 0.00 N ATOM 229 CA GLY A 77 -3.639 -11.466 3.604 1.00 0.00 C ATOM 230 C GLY A 77 -3.656 -10.785 4.962 1.00 0.00 C ATOM 231 O GLY A 77 -4.397 -11.191 5.858 1.00 0.00 O ATOM 0 H GLY A 77 -3.816 -9.721 2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.629 -11.870 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.950 -12.310 3.634 1.00 0.00 H new ATOM 235 N ARG A 78 -2.835 -9.751 5.113 1.00 0.00 N ATOM 236 CA ARG A 78 -2.759 -9.008 6.367 1.00 0.00 C ATOM 237 C ARG A 78 -3.945 -8.055 6.499 1.00 0.00 C ATOM 238 O ARG A 78 -4.453 -7.544 5.502 1.00 0.00 O ATOM 239 CB ARG A 78 -1.448 -8.223 6.436 1.00 0.00 C ATOM 240 CG ARG A 78 -1.234 -7.493 7.752 1.00 0.00 C ATOM 241 CD ARG A 78 -0.067 -6.523 7.658 1.00 0.00 C ATOM 242 NE ARG A 78 0.343 -6.023 8.966 1.00 0.00 N ATOM 243 CZ ARG A 78 1.292 -6.584 9.712 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.894 -7.698 9.312 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.630 -6.038 10.871 1.00 0.00 N ATOM 0 H ARG A 78 -2.212 -9.408 4.382 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.791 -9.720 7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.617 -8.909 6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.427 -7.498 5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.140 -6.951 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.047 -8.216 8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.778 -7.019 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.346 -5.683 7.021 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.126 -5.194 9.331 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.630 -8.131 8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.620 -8.121 9.890 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.163 -5.189 11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.357 -6.467 11.444 1.00 0.00 H new ATOM 259 N ALA A 79 -4.378 -7.818 7.732 1.00 0.00 N ATOM 260 CA ALA A 79 -5.509 -6.932 7.988 1.00 0.00 C ATOM 261 C ALA A 79 -5.228 -5.510 7.514 1.00 0.00 C ATOM 262 O ALA A 79 -4.078 -5.069 7.488 1.00 0.00 O ATOM 263 CB ALA A 79 -5.850 -6.932 9.471 1.00 0.00 C ATOM 0 H ALA A 79 -3.964 -8.226 8.570 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.361 -7.309 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.695 -6.267 9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.110 -7.943 9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.989 -6.586 10.042 1.00 0.00 H new ATOM 269 N ALA A 80 -6.288 -4.800 7.135 1.00 0.00 N ATOM 270 CA ALA A 80 -6.159 -3.422 6.676 1.00 0.00 C ATOM 271 C ALA A 80 -5.762 -2.519 7.837 1.00 0.00 C ATOM 272 O ALA A 80 -6.003 -2.850 8.998 1.00 0.00 O ATOM 273 CB ALA A 80 -7.460 -2.946 6.047 1.00 0.00 C ATOM 0 H ALA A 80 -7.244 -5.157 7.137 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.378 -3.377 5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.346 -1.916 5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.706 -3.581 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.261 -3.000 6.784 1.00 0.00 H new ATOM 279 N GLY A 81 -5.162 -1.376 7.525 1.00 0.00 N ATOM 280 CA GLY A 81 -4.728 -0.469 8.568 1.00 0.00 C ATOM 281 C GLY A 81 -5.542 0.808 8.648 1.00 0.00 C ATOM 282 O GLY A 81 -6.754 0.774 8.865 1.00 0.00 O ATOM 0 H GLY A 81 -4.970 -1.063 6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.780 -0.983 9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.682 -0.212 8.401 1.00 0.00 H new ATOM 286 N ASN A 82 -4.864 1.937 8.475 1.00 0.00 N ATOM 287 CA ASN A 82 -5.509 3.243 8.559 1.00 0.00 C ATOM 288 C ASN A 82 -5.291 4.081 7.296 1.00 0.00 C ATOM 289 O ASN A 82 -6.094 4.959 6.983 1.00 0.00 O ATOM 290 CB ASN A 82 -4.957 3.992 9.777 1.00 0.00 C ATOM 291 CG ASN A 82 -6.022 4.719 10.578 1.00 0.00 C ATOM 292 OD1 ASN A 82 -5.799 5.837 11.042 1.00 0.00 O ATOM 293 ND2 ASN A 82 -7.170 4.080 10.780 1.00 0.00 N ATOM 0 H ASN A 82 -3.864 1.974 8.275 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.583 3.083 8.659 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.446 3.283 10.428 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.211 4.713 9.442 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.905 4.516 11.337 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.316 3.154 10.378 1.00 0.00 H new ATOM 300 N ALA A 83 -4.205 3.813 6.575 1.00 0.00 N ATOM 301 CA ALA A 83 -3.893 4.563 5.364 1.00 0.00 C ATOM 302 C ALA A 83 -4.786 4.158 4.197 1.00 0.00 C ATOM 303 O ALA A 83 -5.496 3.153 4.257 1.00 0.00 O ATOM 304 CB ALA A 83 -2.430 4.376 4.995 1.00 0.00 C ATOM 0 H ALA A 83 -3.530 3.085 6.808 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.082 5.616 5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.208 4.940 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.801 4.735 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.231 3.319 4.821 1.00 0.00 H new ATOM 310 N SER A 84 -4.741 4.956 3.136 1.00 0.00 N ATOM 311 CA SER A 84 -5.531 4.697 1.940 1.00 0.00 C ATOM 312 C SER A 84 -4.628 4.643 0.713 1.00 0.00 C ATOM 313 O SER A 84 -3.450 4.991 0.783 1.00 0.00 O ATOM 314 CB SER A 84 -6.586 5.788 1.754 1.00 0.00 C ATOM 315 OG SER A 84 -7.231 6.092 2.979 1.00 0.00 O ATOM 0 H SER A 84 -4.161 5.793 3.081 1.00 0.00 H new ATOM 0 HA SER A 84 -6.031 3.736 2.058 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.117 6.687 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.325 5.462 1.022 1.00 0.00 H new ATOM 0 HG SER A 84 -7.899 6.794 2.832 1.00 0.00 H new ATOM 321 N PHE A 85 -5.184 4.205 -0.408 1.00 0.00 N ATOM 322 CA PHE A 85 -4.428 4.123 -1.651 1.00 0.00 C ATOM 323 C PHE A 85 -4.644 5.385 -2.477 1.00 0.00 C ATOM 324 O PHE A 85 -5.776 5.733 -2.816 1.00 0.00 O ATOM 325 CB PHE A 85 -4.848 2.887 -2.442 1.00 0.00 C ATOM 326 CG PHE A 85 -4.165 2.741 -3.773 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.813 2.441 -3.855 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.891 2.874 -4.944 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.202 2.274 -5.086 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.286 2.716 -6.173 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.945 2.412 -6.246 1.00 0.00 C ATOM 0 H PHE A 85 -6.155 3.901 -0.483 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.367 4.038 -1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.643 2.000 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.926 2.922 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.232 2.337 -2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.945 3.105 -4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.150 2.037 -5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.864 2.831 -7.078 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.473 2.281 -7.208 1.00 0.00 H new ATOM 341 N SER A 86 -3.551 6.069 -2.791 1.00 0.00 N ATOM 342 CA SER A 86 -3.612 7.303 -3.563 1.00 0.00 C ATOM 343 C SER A 86 -2.692 7.225 -4.782 1.00 0.00 C ATOM 344 O SER A 86 -2.338 6.136 -5.229 1.00 0.00 O ATOM 345 CB SER A 86 -3.213 8.481 -2.670 1.00 0.00 C ATOM 346 OG SER A 86 -1.867 8.358 -2.243 1.00 0.00 O ATOM 0 H SER A 86 -2.608 5.788 -2.521 1.00 0.00 H new ATOM 0 HA SER A 86 -4.632 7.448 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.342 9.416 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.872 8.524 -1.803 1.00 0.00 H new ATOM 0 HG SER A 86 -1.633 9.122 -1.675 1.00 0.00 H new ATOM 352 N LYS A 87 -2.374 8.380 -5.361 1.00 0.00 N ATOM 353 CA LYS A 87 -1.482 8.449 -6.517 1.00 0.00 C ATOM 354 C LYS A 87 -0.004 8.378 -6.113 1.00 0.00 C ATOM 355 O LYS A 87 0.789 7.674 -6.737 1.00 0.00 O ATOM 356 CB LYS A 87 -1.743 9.730 -7.302 1.00 0.00 C ATOM 357 CG LYS A 87 -3.212 10.103 -7.382 1.00 0.00 C ATOM 358 CD LYS A 87 -3.556 11.206 -6.395 1.00 0.00 C ATOM 359 CE LYS A 87 -4.708 12.061 -6.897 1.00 0.00 C ATOM 360 NZ LYS A 87 -4.375 12.746 -8.179 1.00 0.00 N ATOM 0 H LYS A 87 -2.723 9.286 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.694 7.582 -7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.193 10.549 -6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.350 9.614 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.452 10.430 -8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.824 9.225 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.820 10.766 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.681 11.834 -6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.590 11.436 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.963 12.806 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.892 13.647 -8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.352 12.931 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.648 12.139 -8.978 1.00 0.00 H new ATOM 374 N ARG A 88 0.355 9.128 -5.071 1.00 0.00 N ATOM 375 CA ARG A 88 1.736 9.179 -4.581 1.00 0.00 C ATOM 376 C ARG A 88 2.281 7.776 -4.346 1.00 0.00 C ATOM 377 O ARG A 88 3.444 7.499 -4.645 1.00 0.00 O ATOM 378 CB ARG A 88 1.784 10.019 -3.290 1.00 0.00 C ATOM 379 CG ARG A 88 2.988 9.764 -2.387 1.00 0.00 C ATOM 380 CD ARG A 88 2.626 8.854 -1.220 1.00 0.00 C ATOM 381 NE ARG A 88 1.396 9.282 -0.543 1.00 0.00 N ATOM 382 CZ ARG A 88 1.350 9.951 0.613 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.461 10.316 1.244 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.173 10.266 1.139 1.00 0.00 N ATOM 0 H ARG A 88 -0.295 9.713 -4.546 1.00 0.00 H new ATOM 0 HA ARG A 88 2.369 9.649 -5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.773 11.074 -3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.876 9.828 -2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.791 9.311 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.367 10.713 -2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.503 7.833 -1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.447 8.841 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 88 0.508 9.051 -0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.372 10.086 0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.403 10.826 2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.687 9.998 0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.129 10.776 2.021 1.00 0.00 H new ATOM 398 N ILE A 89 1.447 6.898 -3.814 1.00 0.00 N ATOM 399 CA ILE A 89 1.862 5.528 -3.565 1.00 0.00 C ATOM 400 C ILE A 89 2.071 4.800 -4.889 1.00 0.00 C ATOM 401 O ILE A 89 2.965 3.967 -5.019 1.00 0.00 O ATOM 402 CB ILE A 89 0.833 4.782 -2.700 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.605 5.547 -1.395 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.307 3.364 -2.415 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.398 4.893 -0.472 1.00 0.00 C ATOM 0 H ILE A 89 0.485 7.107 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 89 2.804 5.551 -3.016 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.111 4.721 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.556 5.646 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.265 6.555 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.567 2.849 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.435 2.827 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.258 3.398 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.506 5.493 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.362 4.819 -0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.050 3.895 -0.205 1.00 0.00 H new ATOM 417 N GLN A 90 1.240 5.132 -5.874 1.00 0.00 N ATOM 418 CA GLN A 90 1.349 4.542 -7.204 1.00 0.00 C ATOM 419 C GLN A 90 2.684 4.932 -7.813 1.00 0.00 C ATOM 420 O GLN A 90 3.423 4.101 -8.342 1.00 0.00 O ATOM 421 CB GLN A 90 0.217 5.051 -8.097 1.00 0.00 C ATOM 422 CG GLN A 90 0.192 4.417 -9.479 1.00 0.00 C ATOM 423 CD GLN A 90 -0.653 5.205 -10.462 1.00 0.00 C ATOM 424 OE1 GLN A 90 -1.593 5.899 -10.075 1.00 0.00 O ATOM 425 NE2 GLN A 90 -0.323 5.098 -11.745 1.00 0.00 N ATOM 0 H GLN A 90 0.483 5.808 -5.775 1.00 0.00 H new ATOM 0 HA GLN A 90 1.279 3.457 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.736 4.861 -7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.310 6.132 -8.205 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.211 4.341 -9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.196 3.401 -9.403 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.464 4.511 -12.022 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.857 5.603 -12.453 1.00 0.00 H new ATOM 434 N LYS A 91 2.966 6.221 -7.726 1.00 0.00 N ATOM 435 CA LYS A 91 4.194 6.793 -8.232 1.00 0.00 C ATOM 436 C LYS A 91 5.402 6.188 -7.517 1.00 0.00 C ATOM 437 O LYS A 91 6.387 5.809 -8.151 1.00 0.00 O ATOM 438 CB LYS A 91 4.123 8.305 -8.030 1.00 0.00 C ATOM 439 CG LYS A 91 3.604 9.052 -9.249 1.00 0.00 C ATOM 440 CD LYS A 91 4.730 9.688 -10.046 1.00 0.00 C ATOM 441 CE LYS A 91 4.472 11.168 -10.275 1.00 0.00 C ATOM 442 NZ LYS A 91 4.251 11.898 -8.996 1.00 0.00 N ATOM 0 H LYS A 91 2.340 6.903 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 91 4.312 6.571 -9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.478 8.521 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.116 8.678 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.051 8.364 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.904 9.824 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.673 9.558 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.832 9.181 -11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.319 11.607 -10.802 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.600 11.289 -10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.607 12.871 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.234 11.920 -8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.758 11.414 -8.228 1.00 0.00 H new ATOM 456 N SER A 92 5.310 6.090 -6.194 1.00 0.00 N ATOM 457 CA SER A 92 6.384 5.513 -5.394 1.00 0.00 C ATOM 458 C SER A 92 6.638 4.071 -5.822 1.00 0.00 C ATOM 459 O SER A 92 7.783 3.631 -5.919 1.00 0.00 O ATOM 460 CB SER A 92 6.026 5.569 -3.907 1.00 0.00 C ATOM 461 OG SER A 92 7.090 5.085 -3.105 1.00 0.00 O ATOM 0 H SER A 92 4.503 6.403 -5.654 1.00 0.00 H new ATOM 0 HA SER A 92 7.293 6.093 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.792 6.596 -3.625 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.130 4.976 -3.723 1.00 0.00 H new ATOM 0 HG SER A 92 6.835 5.133 -2.160 1.00 0.00 H new ATOM 467 N ILE A 93 5.554 3.341 -6.075 1.00 0.00 N ATOM 468 CA ILE A 93 5.647 1.953 -6.516 1.00 0.00 C ATOM 469 C ILE A 93 6.312 1.887 -7.889 1.00 0.00 C ATOM 470 O ILE A 93 7.196 1.064 -8.126 1.00 0.00 O ATOM 471 CB ILE A 93 4.243 1.293 -6.573 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.688 1.106 -5.160 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.282 -0.049 -7.298 1.00 0.00 C ATOM 474 CD1 ILE A 93 2.220 0.739 -5.134 1.00 0.00 C ATOM 0 H ILE A 93 4.600 3.689 -5.982 1.00 0.00 H new ATOM 0 HA ILE A 93 6.253 1.404 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 93 3.588 1.959 -7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.258 0.327 -4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.835 2.027 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.281 -0.481 -7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.634 0.099 -8.319 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.959 -0.725 -6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.893 0.622 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.639 1.528 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.070 -0.198 -5.671 1.00 0.00 H new ATOM 486 N SER A 94 5.875 2.764 -8.787 1.00 0.00 N ATOM 487 CA SER A 94 6.416 2.818 -10.141 1.00 0.00 C ATOM 488 C SER A 94 7.938 2.924 -10.118 1.00 0.00 C ATOM 489 O SER A 94 8.632 2.149 -10.775 1.00 0.00 O ATOM 490 CB SER A 94 5.822 4.005 -10.898 1.00 0.00 C ATOM 491 OG SER A 94 6.499 4.219 -12.124 1.00 0.00 O ATOM 0 H SER A 94 5.144 3.450 -8.600 1.00 0.00 H new ATOM 0 HA SER A 94 6.144 1.894 -10.652 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.764 3.825 -11.090 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.886 4.902 -10.282 1.00 0.00 H new ATOM 0 HG SER A 94 6.099 4.983 -12.590 1.00 0.00 H new ATOM 497 N GLN A 95 8.450 3.895 -9.366 1.00 0.00 N ATOM 498 CA GLN A 95 9.890 4.094 -9.258 1.00 0.00 C ATOM 499 C GLN A 95 10.551 2.835 -8.708 1.00 0.00 C ATOM 500 O GLN A 95 11.709 2.544 -9.006 1.00 0.00 O ATOM 501 CB GLN A 95 10.193 5.290 -8.355 1.00 0.00 C ATOM 502 CG GLN A 95 11.320 6.177 -8.863 1.00 0.00 C ATOM 503 CD GLN A 95 11.047 6.742 -10.245 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.567 6.247 -11.246 1.00 0.00 O ATOM 505 NE2 GLN A 95 10.214 7.774 -10.309 1.00 0.00 N ATOM 0 H GLN A 95 7.890 4.554 -8.825 1.00 0.00 H new ATOM 0 HA GLN A 95 10.293 4.298 -10.250 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.290 5.891 -8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.451 4.926 -7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.473 6.999 -8.163 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.246 5.602 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.805 8.153 -9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 95 9.983 8.187 -11.212 1.00 0.00 H new ATOM 514 N LYS A 96 9.801 2.095 -7.898 1.00 0.00 N ATOM 515 CA LYS A 96 10.290 0.851 -7.317 1.00 0.00 C ATOM 516 C LYS A 96 10.203 -0.270 -8.342 1.00 0.00 C ATOM 517 O LYS A 96 11.086 -1.122 -8.433 1.00 0.00 O ATOM 518 CB LYS A 96 9.460 0.463 -6.091 1.00 0.00 C ATOM 519 CG LYS A 96 9.658 1.366 -4.887 1.00 0.00 C ATOM 520 CD LYS A 96 8.635 1.070 -3.798 1.00 0.00 C ATOM 521 CE LYS A 96 8.600 -0.410 -3.444 1.00 0.00 C ATOM 522 NZ LYS A 96 9.925 -0.904 -2.977 1.00 0.00 N ATOM 0 H LYS A 96 8.848 2.337 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 96 11.327 1.003 -7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.405 0.470 -6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.709 -0.560 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.664 1.231 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.574 2.408 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.873 1.651 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.647 1.388 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.855 -0.579 -2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.286 -0.984 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.830 -1.882 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.603 -0.877 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.268 -0.299 -2.204 1.00 0.00 H new ATOM 536 N LYS A 97 9.123 -0.248 -9.117 1.00 0.00 N ATOM 537 CA LYS A 97 8.879 -1.267 -10.125 1.00 0.00 C ATOM 538 C LYS A 97 8.704 -2.622 -9.451 1.00 0.00 C ATOM 539 O LYS A 97 9.618 -3.446 -9.431 1.00 0.00 O ATOM 540 CB LYS A 97 10.019 -1.314 -11.144 1.00 0.00 C ATOM 541 CG LYS A 97 9.540 -1.248 -12.586 1.00 0.00 C ATOM 542 CD LYS A 97 9.588 0.169 -13.137 1.00 0.00 C ATOM 543 CE LYS A 97 10.883 0.427 -13.892 1.00 0.00 C ATOM 544 NZ LYS A 97 10.769 1.593 -14.812 1.00 0.00 N ATOM 0 H LYS A 97 8.401 0.470 -9.063 1.00 0.00 H new ATOM 0 HA LYS A 97 7.965 -1.016 -10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.699 -0.483 -10.956 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.589 -2.232 -10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.159 -1.899 -13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.520 -1.627 -12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.739 0.332 -13.801 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.494 0.883 -12.319 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.689 0.604 -13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.153 -0.461 -14.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.673 1.734 -15.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.017 1.414 -15.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.537 2.446 -14.264 1.00 0.00 H new ATOM 558 N VAL A 98 7.521 -2.830 -8.879 1.00 0.00 N ATOM 559 CA VAL A 98 7.209 -4.071 -8.181 1.00 0.00 C ATOM 560 C VAL A 98 5.872 -4.645 -8.643 1.00 0.00 C ATOM 561 O VAL A 98 5.213 -4.078 -9.515 1.00 0.00 O ATOM 562 CB VAL A 98 7.162 -3.847 -6.659 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.533 -3.448 -6.136 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.129 -2.788 -6.310 1.00 0.00 C ATOM 0 H VAL A 98 6.760 -2.151 -8.886 1.00 0.00 H new ATOM 0 HA VAL A 98 8.001 -4.781 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 98 6.872 -4.783 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.481 -3.294 -5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.250 -4.239 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.852 -2.525 -6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.108 -2.642 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.391 -1.849 -6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.146 -3.112 -6.651 1.00 0.00 H new ATOM 574 N LYS A 99 5.474 -5.768 -8.052 1.00 0.00 N ATOM 575 CA LYS A 99 4.218 -6.416 -8.418 1.00 0.00 C ATOM 576 C LYS A 99 3.124 -6.127 -7.394 1.00 0.00 C ATOM 577 O LYS A 99 2.599 -7.041 -6.756 1.00 0.00 O ATOM 578 CB LYS A 99 4.414 -7.927 -8.561 1.00 0.00 C ATOM 579 CG LYS A 99 5.617 -8.301 -9.409 1.00 0.00 C ATOM 580 CD LYS A 99 5.282 -9.393 -10.413 1.00 0.00 C ATOM 581 CE LYS A 99 5.254 -8.856 -11.835 1.00 0.00 C ATOM 582 NZ LYS A 99 6.497 -8.109 -12.174 1.00 0.00 N ATOM 0 H LYS A 99 6.000 -6.247 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 99 3.903 -6.006 -9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.526 -8.367 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.518 -8.362 -9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.977 -7.419 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.427 -8.638 -8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.018 -10.193 -10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.313 -9.828 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.127 -9.684 -12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.392 -8.200 -11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.736 -8.268 -13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.347 -7.093 -12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.278 -8.444 -11.574 1.00 0.00 H new ATOM 596 N ILE A 100 2.791 -4.853 -7.239 1.00 0.00 N ATOM 597 CA ILE A 100 1.748 -4.440 -6.309 1.00 0.00 C ATOM 598 C ILE A 100 0.820 -3.435 -6.978 1.00 0.00 C ATOM 599 O ILE A 100 1.181 -2.276 -7.179 1.00 0.00 O ATOM 600 CB ILE A 100 2.337 -3.822 -5.022 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.194 -4.853 -4.286 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.228 -3.306 -4.113 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.823 -4.320 -3.017 1.00 0.00 C ATOM 0 H ILE A 100 3.230 -4.085 -7.747 1.00 0.00 H new ATOM 0 HA ILE A 100 1.188 -5.332 -6.029 1.00 0.00 H new ATOM 0 HB ILE A 100 2.967 -2.978 -5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.577 -5.718 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.982 -5.202 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.666 -2.875 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.653 -2.543 -4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.570 -4.130 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.416 -5.105 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.466 -3.474 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.040 -3.997 -2.331 1.00 0.00 H new ATOM 615 N GLU A 101 -0.374 -3.890 -7.331 1.00 0.00 N ATOM 616 CA GLU A 101 -1.350 -3.031 -7.982 1.00 0.00 C ATOM 617 C GLU A 101 -2.718 -3.170 -7.331 1.00 0.00 C ATOM 618 O GLU A 101 -2.973 -4.116 -6.586 1.00 0.00 O ATOM 619 CB GLU A 101 -1.437 -3.365 -9.471 1.00 0.00 C ATOM 620 CG GLU A 101 -1.778 -4.819 -9.750 1.00 0.00 C ATOM 621 CD GLU A 101 -1.703 -5.160 -11.225 1.00 0.00 C ATOM 622 OE1 GLU A 101 -2.223 -4.372 -12.043 1.00 0.00 O ATOM 623 OE2 GLU A 101 -1.121 -6.212 -11.563 1.00 0.00 O ATOM 0 H GLU A 101 -0.689 -4.848 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.023 -1.997 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.191 -2.729 -9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.485 -3.127 -9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.094 -5.462 -9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.782 -5.030 -9.382 1.00 0.00 H new ATOM 630 N LEU A 102 -3.594 -2.222 -7.622 1.00 0.00 N ATOM 631 CA LEU A 102 -4.934 -2.224 -7.061 1.00 0.00 C ATOM 632 C LEU A 102 -5.896 -3.058 -7.900 1.00 0.00 C ATOM 633 O LEU A 102 -5.819 -3.075 -9.129 1.00 0.00 O ATOM 634 CB LEU A 102 -5.463 -0.795 -6.952 1.00 0.00 C ATOM 635 CG LEU A 102 -6.926 -0.695 -6.534 1.00 0.00 C ATOM 636 CD1 LEU A 102 -7.076 -0.856 -5.030 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.529 0.609 -6.994 1.00 0.00 C ATOM 0 H LEU A 102 -3.399 -1.439 -8.246 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.871 -2.671 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.854 -0.249 -6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.338 -0.300 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.468 -1.509 -7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.129 -0.780 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.693 -1.831 -4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.514 -0.072 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.573 0.657 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.980 1.440 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.470 0.674 -8.080 1.00 0.00 H new ATOM 649 N ASP A 103 -6.805 -3.742 -7.218 1.00 0.00 N ATOM 650 CA ASP A 103 -7.817 -4.545 -7.884 1.00 0.00 C ATOM 651 C ASP A 103 -9.080 -3.707 -8.015 1.00 0.00 C ATOM 652 O ASP A 103 -9.329 -2.830 -7.189 1.00 0.00 O ATOM 653 CB ASP A 103 -8.114 -5.815 -7.087 1.00 0.00 C ATOM 654 CG ASP A 103 -8.725 -6.914 -7.942 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.532 -6.884 -9.176 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.390 -7.808 -7.377 1.00 0.00 O ATOM 0 H ASP A 103 -6.861 -3.755 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.456 -4.845 -8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.191 -6.181 -6.637 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.794 -5.576 -6.270 1.00 0.00 H new ATOM 661 N LYS A 104 -9.873 -3.960 -9.044 1.00 0.00 N ATOM 662 CA LYS A 104 -11.093 -3.191 -9.249 1.00 0.00 C ATOM 663 C LYS A 104 -12.304 -3.845 -8.584 1.00 0.00 C ATOM 664 O LYS A 104 -13.421 -3.336 -8.685 1.00 0.00 O ATOM 665 CB LYS A 104 -11.342 -2.994 -10.744 1.00 0.00 C ATOM 666 CG LYS A 104 -10.264 -2.165 -11.424 1.00 0.00 C ATOM 667 CD LYS A 104 -9.486 -2.983 -12.441 1.00 0.00 C ATOM 668 CE LYS A 104 -10.161 -2.963 -13.802 1.00 0.00 C ATOM 669 NZ LYS A 104 -11.595 -3.352 -13.717 1.00 0.00 N ATOM 0 H LYS A 104 -9.699 -4.682 -9.743 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.955 -2.219 -8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.402 -3.969 -11.228 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.308 -2.509 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.721 -1.308 -11.919 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.579 -1.771 -10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.474 -2.589 -12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.398 -4.012 -12.092 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.081 -1.965 -14.232 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.640 -3.643 -14.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.983 -3.458 -14.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.680 -4.255 -13.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.125 -2.616 -13.208 1.00 0.00 H new ATOM 683 N SER A 105 -12.084 -4.961 -7.892 1.00 0.00 N ATOM 684 CA SER A 105 -13.168 -5.661 -7.213 1.00 0.00 C ATOM 685 C SER A 105 -13.462 -5.019 -5.862 1.00 0.00 C ATOM 686 O SER A 105 -14.617 -4.924 -5.443 1.00 0.00 O ATOM 687 CB SER A 105 -12.806 -7.134 -7.016 1.00 0.00 C ATOM 688 OG SER A 105 -12.289 -7.699 -8.208 1.00 0.00 O ATOM 0 H SER A 105 -11.168 -5.397 -7.788 1.00 0.00 H new ATOM 0 HA SER A 105 -14.060 -5.591 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.070 -7.226 -6.218 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.689 -7.689 -6.701 1.00 0.00 H new ATOM 0 HG SER A 105 -11.319 -7.812 -8.123 1.00 0.00 H new ATOM 694 N ALA A 106 -12.405 -4.576 -5.186 1.00 0.00 N ATOM 695 CA ALA A 106 -12.535 -3.951 -3.874 1.00 0.00 C ATOM 696 C ALA A 106 -13.150 -2.560 -3.973 1.00 0.00 C ATOM 697 O ALA A 106 -12.728 -1.737 -4.785 1.00 0.00 O ATOM 698 CB ALA A 106 -11.178 -3.882 -3.190 1.00 0.00 C ATOM 0 H ALA A 106 -11.446 -4.639 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.207 -4.567 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.287 -3.414 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.781 -4.890 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.493 -3.293 -3.800 1.00 0.00 H new ATOM 704 N ARG A 107 -14.146 -2.307 -3.133 1.00 0.00 N ATOM 705 CA ARG A 107 -14.826 -1.016 -3.117 1.00 0.00 C ATOM 706 C ARG A 107 -14.128 -0.032 -2.185 1.00 0.00 C ATOM 707 O ARG A 107 -14.034 1.158 -2.485 1.00 0.00 O ATOM 708 CB ARG A 107 -16.286 -1.187 -2.694 1.00 0.00 C ATOM 709 CG ARG A 107 -16.481 -2.057 -1.459 1.00 0.00 C ATOM 710 CD ARG A 107 -17.281 -3.305 -1.793 1.00 0.00 C ATOM 711 NE ARG A 107 -18.456 -2.988 -2.601 1.00 0.00 N ATOM 712 CZ ARG A 107 -19.334 -3.891 -3.021 1.00 0.00 C ATOM 713 NH1 ARG A 107 -19.192 -5.165 -2.686 1.00 0.00 N ATOM 714 NH2 ARG A 107 -20.360 -3.516 -3.772 1.00 0.00 N ATOM 0 H ARG A 107 -14.502 -2.979 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 107 -14.791 -0.611 -4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.715 -0.203 -2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.844 -1.622 -3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -15.510 -2.341 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.996 -1.487 -0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -16.648 -4.011 -2.331 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.594 -3.795 -0.871 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.611 -2.013 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.406 -5.455 -2.104 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.868 -5.856 -3.010 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.474 -2.535 -4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -21.035 -4.209 -4.095 1.00 0.00 H new ATOM 728 N HIS A 108 -13.637 -0.533 -1.059 1.00 0.00 N ATOM 729 CA HIS A 108 -12.959 0.311 -0.084 1.00 0.00 C ATOM 730 C HIS A 108 -11.516 0.587 -0.495 1.00 0.00 C ATOM 731 O HIS A 108 -10.923 -0.164 -1.270 1.00 0.00 O ATOM 732 CB HIS A 108 -12.984 -0.348 1.300 1.00 0.00 C ATOM 733 CG HIS A 108 -12.071 -1.530 1.422 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.698 -1.414 1.472 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.336 -2.856 1.504 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.158 -2.614 1.578 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.130 -3.507 1.601 1.00 0.00 N ATOM 0 H HIS A 108 -13.695 -1.517 -0.799 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.492 1.261 -0.043 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.707 0.393 2.050 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.003 -0.663 1.524 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.313 -3.316 1.495 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.101 -2.829 1.636 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.006 -4.516 1.678 1.00 0.00 H new ATOM 746 N LEU A 109 -10.963 1.675 0.028 1.00 0.00 N ATOM 747 CA LEU A 109 -9.586 2.050 -0.258 1.00 0.00 C ATOM 748 C LEU A 109 -8.790 2.145 1.037 1.00 0.00 C ATOM 749 O LEU A 109 -8.622 3.226 1.601 1.00 0.00 O ATOM 750 CB LEU A 109 -9.528 3.379 -1.013 1.00 0.00 C ATOM 751 CG LEU A 109 -10.047 3.331 -2.451 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.035 4.720 -3.068 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.216 2.368 -3.286 1.00 0.00 C ATOM 0 H LEU A 109 -11.451 2.315 0.655 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.145 1.280 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.105 4.119 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.495 3.726 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.076 2.971 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.407 4.667 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.673 5.383 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.016 5.107 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.600 2.347 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.177 2.698 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.275 1.369 -2.855 1.00 0.00 H new ATOM 765 N TYR A 110 -8.314 0.999 1.507 1.00 0.00 N ATOM 766 CA TYR A 110 -7.538 0.932 2.736 1.00 0.00 C ATOM 767 C TYR A 110 -6.513 -0.187 2.652 1.00 0.00 C ATOM 768 O TYR A 110 -6.866 -1.358 2.514 1.00 0.00 O ATOM 769 CB TYR A 110 -8.452 0.705 3.942 1.00 0.00 C ATOM 770 CG TYR A 110 -9.169 1.951 4.411 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.552 2.843 5.280 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.461 2.234 3.989 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.204 3.982 5.714 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.119 3.371 4.418 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.486 4.241 5.281 1.00 0.00 C ATOM 776 OH TYR A 110 -11.138 5.374 5.711 1.00 0.00 O ATOM 0 H TYR A 110 -8.454 0.098 1.051 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.021 1.883 2.863 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.192 -0.054 3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.859 0.308 4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.547 2.643 5.622 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -10.960 1.554 3.314 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -8.711 4.666 6.389 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.124 3.577 4.079 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.032 5.408 5.312 1.00 0.00 H new ATOM 786 N ILE A 111 -5.243 0.181 2.727 1.00 0.00 N ATOM 787 CA ILE A 111 -4.169 -0.793 2.662 1.00 0.00 C ATOM 788 C ILE A 111 -3.711 -1.187 4.057 1.00 0.00 C ATOM 789 O ILE A 111 -3.996 -0.495 5.035 1.00 0.00 O ATOM 790 CB ILE A 111 -2.963 -0.252 1.874 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.357 0.954 2.593 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.380 0.122 0.459 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.149 1.533 1.891 1.00 0.00 C ATOM 0 H ILE A 111 -4.933 1.147 2.833 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.564 -1.668 2.146 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.206 -1.034 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.117 1.729 2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.073 0.659 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.516 0.503 -0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.771 -0.759 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.152 0.890 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.772 2.385 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.371 0.773 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.432 1.859 0.890 1.00 0.00 H new ATOM 805 N CYS A 112 -3.008 -2.304 4.143 1.00 0.00 N ATOM 806 CA CYS A 112 -2.506 -2.786 5.419 1.00 0.00 C ATOM 807 C CYS A 112 -1.310 -1.956 5.873 1.00 0.00 C ATOM 808 O CYS A 112 -0.801 -1.124 5.121 1.00 0.00 O ATOM 809 CB CYS A 112 -2.118 -4.258 5.304 1.00 0.00 C ATOM 810 SG CYS A 112 -1.035 -4.629 3.905 1.00 0.00 S ATOM 0 H CYS A 112 -2.772 -2.894 3.345 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.295 -2.686 6.165 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.622 -4.565 6.225 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.025 -4.856 5.216 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.720 -4.583 2.801 1.00 0.00 H new ATOM 815 N ASP A 113 -0.868 -2.177 7.106 1.00 0.00 N ATOM 816 CA ASP A 113 0.271 -1.445 7.649 1.00 0.00 C ATOM 817 C ASP A 113 1.571 -1.925 7.015 1.00 0.00 C ATOM 818 O ASP A 113 2.534 -1.168 6.892 1.00 0.00 O ATOM 819 CB ASP A 113 0.341 -1.613 9.168 1.00 0.00 C ATOM 820 CG ASP A 113 -0.890 -1.073 9.870 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.393 -0.009 9.453 1.00 0.00 O ATOM 822 OD2 ASP A 113 -1.352 -1.715 10.838 1.00 0.00 O ATOM 0 H ASP A 113 -1.280 -2.855 7.747 1.00 0.00 H new ATOM 0 HA ASP A 113 0.136 -0.389 7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.458 -2.670 9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.225 -1.100 9.547 1.00 0.00 H new ATOM 827 N TYR A 114 1.583 -3.189 6.608 1.00 0.00 N ATOM 828 CA TYR A 114 2.759 -3.791 5.990 1.00 0.00 C ATOM 829 C TYR A 114 3.165 -3.047 4.720 1.00 0.00 C ATOM 830 O TYR A 114 4.261 -2.492 4.638 1.00 0.00 O ATOM 831 CB TYR A 114 2.475 -5.260 5.665 1.00 0.00 C ATOM 832 CG TYR A 114 3.661 -6.006 5.100 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.587 -6.613 5.938 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.852 -6.110 3.727 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.671 -7.301 5.426 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.931 -6.798 3.207 1.00 0.00 C ATOM 837 CZ TYR A 114 5.838 -7.392 4.060 1.00 0.00 C ATOM 838 OH TYR A 114 6.914 -8.078 3.547 1.00 0.00 O ATOM 0 H TYR A 114 0.787 -3.820 6.696 1.00 0.00 H new ATOM 0 HA TYR A 114 3.586 -3.723 6.697 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.141 -5.764 6.572 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.653 -5.311 4.951 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.458 -6.546 7.008 1.00 0.00 H new ATOM 0 HD2 TYR A 114 3.145 -5.645 3.056 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.383 -7.765 6.092 1.00 0.00 H new ATOM 0 HE2 TYR A 114 5.064 -6.871 2.138 1.00 0.00 H new ATOM 0 HH TYR A 114 6.884 -8.048 2.568 1.00 0.00 H new ATOM 848 N HIS A 115 2.272 -3.030 3.735 1.00 0.00 N ATOM 849 CA HIS A 115 2.549 -2.364 2.466 1.00 0.00 C ATOM 850 C HIS A 115 2.729 -0.859 2.647 1.00 0.00 C ATOM 851 O HIS A 115 3.556 -0.243 1.975 1.00 0.00 O ATOM 852 CB HIS A 115 1.431 -2.648 1.459 1.00 0.00 C ATOM 853 CG HIS A 115 1.512 -4.016 0.850 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.384 -4.754 0.583 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.604 -4.724 0.470 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.810 -5.885 0.049 1.00 0.00 C ATOM 857 NE2 HIS A 115 2.148 -5.913 -0.040 1.00 0.00 N ATOM 0 H HIS A 115 1.353 -3.468 3.790 1.00 0.00 H new ATOM 0 HA HIS A 115 3.486 -2.766 2.080 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.467 -2.536 1.956 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.469 -1.902 0.665 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -0.583 -4.484 0.761 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.635 -4.412 0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.162 -6.686 -0.275 1.00 0.00 H new ATOM 865 N LYS A 116 1.961 -0.268 3.556 1.00 0.00 N ATOM 866 CA LYS A 116 2.052 1.168 3.811 1.00 0.00 C ATOM 867 C LYS A 116 3.464 1.554 4.240 1.00 0.00 C ATOM 868 O LYS A 116 4.087 2.436 3.649 1.00 0.00 O ATOM 869 CB LYS A 116 1.063 1.580 4.901 1.00 0.00 C ATOM 870 CG LYS A 116 1.100 3.066 5.229 1.00 0.00 C ATOM 871 CD LYS A 116 0.540 3.343 6.615 1.00 0.00 C ATOM 872 CE LYS A 116 1.643 3.446 7.659 1.00 0.00 C ATOM 873 NZ LYS A 116 2.709 2.426 7.455 1.00 0.00 N ATOM 0 H LYS A 116 1.271 -0.757 4.127 1.00 0.00 H new ATOM 0 HA LYS A 116 1.808 1.688 2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.055 1.311 4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.276 1.011 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.127 3.427 5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.525 3.618 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.032 4.271 6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.151 2.548 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.084 4.442 7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.212 3.325 8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.316 2.385 8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 2.273 1.495 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.283 2.685 6.627 1.00 0.00 H new ATOM 887 N ASN A 117 3.961 0.877 5.269 1.00 0.00 N ATOM 888 CA ASN A 117 5.293 1.147 5.795 1.00 0.00 C ATOM 889 C ASN A 117 6.373 0.795 4.775 1.00 0.00 C ATOM 890 O ASN A 117 7.374 1.500 4.646 1.00 0.00 O ATOM 891 CB ASN A 117 5.508 0.356 7.090 1.00 0.00 C ATOM 892 CG ASN A 117 6.901 0.522 7.674 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.404 -0.372 8.356 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.533 1.665 7.421 1.00 0.00 N ATOM 0 H ASN A 117 3.459 0.135 5.757 1.00 0.00 H new ATOM 0 HA ASN A 117 5.369 2.214 6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.772 0.675 7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.327 -0.701 6.896 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.468 1.825 7.796 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.083 2.381 6.852 1.00 0.00 H new ATOM 901 N LEU A 118 6.154 -0.291 4.048 1.00 0.00 N ATOM 902 CA LEU A 118 7.106 -0.752 3.043 1.00 0.00 C ATOM 903 C LEU A 118 7.288 0.277 1.926 1.00 0.00 C ATOM 904 O LEU A 118 8.411 0.647 1.585 1.00 0.00 O ATOM 905 CB LEU A 118 6.623 -2.083 2.455 1.00 0.00 C ATOM 906 CG LEU A 118 7.694 -2.935 1.769 1.00 0.00 C ATOM 907 CD1 LEU A 118 7.136 -4.304 1.415 1.00 0.00 C ATOM 908 CD2 LEU A 118 8.219 -2.238 0.523 1.00 0.00 C ATOM 0 H LEU A 118 5.321 -0.873 4.135 1.00 0.00 H new ATOM 0 HA LEU A 118 8.073 -0.889 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.175 -2.671 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.834 -1.875 1.733 1.00 0.00 H new ATOM 0 HG LEU A 118 8.524 -3.066 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.910 -4.897 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.809 -4.810 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.289 -4.188 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.979 -2.860 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.398 -2.075 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.656 -1.279 0.800 1.00 0.00 H new ATOM 920 N ILE A 119 6.175 0.748 1.376 1.00 0.00 N ATOM 921 CA ILE A 119 6.199 1.705 0.271 1.00 0.00 C ATOM 922 C ILE A 119 6.587 3.118 0.708 1.00 0.00 C ATOM 923 O ILE A 119 7.404 3.771 0.059 1.00 0.00 O ATOM 924 CB ILE A 119 4.824 1.754 -0.423 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.444 0.358 -0.910 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.833 2.745 -1.578 1.00 0.00 C ATOM 927 CD1 ILE A 119 3.030 0.260 -1.440 1.00 0.00 C ATOM 0 H ILE A 119 5.238 0.482 1.678 1.00 0.00 H new ATOM 0 HA ILE A 119 6.965 1.353 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 119 4.079 2.093 0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.138 0.056 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.564 -0.348 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.851 2.761 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.071 3.740 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.583 2.445 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.834 -0.761 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.327 0.530 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.909 0.940 -2.283 1.00 0.00 H new ATOM 939 N GLN A 120 6.002 3.586 1.799 1.00 0.00 N ATOM 940 CA GLN A 120 6.266 4.936 2.290 1.00 0.00 C ATOM 941 C GLN A 120 7.716 5.151 2.722 1.00 0.00 C ATOM 942 O GLN A 120 8.300 6.196 2.439 1.00 0.00 O ATOM 943 CB GLN A 120 5.345 5.258 3.469 1.00 0.00 C ATOM 944 CG GLN A 120 4.049 5.923 3.069 1.00 0.00 C ATOM 945 CD GLN A 120 3.781 7.192 3.855 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.128 7.168 4.897 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.296 8.312 3.359 1.00 0.00 N ATOM 0 H GLN A 120 5.340 3.054 2.364 1.00 0.00 H new ATOM 0 HA GLN A 120 6.072 5.606 1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.119 4.335 4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.876 5.908 4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.078 6.158 2.005 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.225 5.226 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.831 8.287 2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.156 9.197 3.846 1.00 0.00 H new ATOM 956 N SER A 121 8.304 4.159 3.379 1.00 0.00 N ATOM 957 CA SER A 121 9.662 4.301 3.912 1.00 0.00 C ATOM 958 C SER A 121 10.771 4.188 2.858 1.00 0.00 C ATOM 959 O SER A 121 11.948 4.126 3.213 1.00 0.00 O ATOM 960 CB SER A 121 9.899 3.279 5.021 1.00 0.00 C ATOM 961 OG SER A 121 10.958 3.689 5.867 1.00 0.00 O ATOM 0 H SER A 121 7.870 3.253 3.557 1.00 0.00 H new ATOM 0 HA SER A 121 9.720 5.316 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 121 8.988 3.154 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.133 2.309 4.583 1.00 0.00 H new ATOM 0 HG SER A 121 11.706 4.012 5.322 1.00 0.00 H new