USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 844 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 87 MET CE :methyl -175:sc= -0.0166 (180deg=-0.0545) USER MOD Set 1.2: A 113 CYS SG : rot 180:sc= -1.05 USER MOD Set 2.1: A 85 THR OG1 : rot 180:sc=-0.00173 USER MOD Set 2.2: A 117 THR OG1 : rot 180:sc= -1.04 USER MOD Set 3.1: A 46 THR OG1 : rot -163:sc= -0.815 USER MOD Set 3.2: A 55 GLN : amide:sc= 0.117 K(o=-0.38,f=-2.2) USER MOD Set 3.3: A 96 TYR OH : rot -76:sc= 0.317 USER MOD Set 4.1: A 50 ASN : amide:sc= -1.98! C(o=-0.84!,f=-6.2!) USER MOD Set 4.2: A 52 THR OG1 : rot 99:sc= 1.14 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.505 F(o=-3.5!,f=-0.5) USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= -3.63! (180deg=-6.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 3:sc= -0.461 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -7.4! C(o=-7.4!,f=-9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.641 F(o=-1.8!,f=-0.64) USER MOD Single : A 45 GLN : amide:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.453 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -44:sc= 0.369 USER MOD Single : A 80 MET CE :methyl -175:sc= -1.13 (180deg=-1.24) USER MOD Single : A 89 THR OG1 : rot 55:sc= 0.348 USER MOD Single : A 92 SER OG : rot 18:sc= -0.406 USER MOD Single : A 93 LYS NZ :NH3+ -132:sc=-0.00284 (180deg=-0.728) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 160:sc= -1.01 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.525 F(o=-1.4,f=-0.52) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.050 -11.750 3.783 1.00 0.00 N ATOM 121 CA LEU A 11 -7.063 -11.792 2.734 1.00 0.00 C ATOM 122 C LEU A 11 -6.416 -11.771 1.352 1.00 0.00 C ATOM 123 O LEU A 11 -5.636 -10.873 1.035 1.00 0.00 O ATOM 124 CB LEU A 11 -8.024 -10.612 2.878 1.00 0.00 C ATOM 125 CG LEU A 11 -8.895 -10.302 1.659 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.226 -9.709 2.091 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.170 -9.357 0.712 1.00 0.00 C ATOM 0 HA LEU A 11 -7.622 -12.722 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.679 -10.804 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.442 -9.723 3.119 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.091 -11.235 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.832 -9.495 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.751 -10.420 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.051 -8.786 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.804 -9.148 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.943 -8.426 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.242 -9.820 0.375 1.00 0.00 H new ATOM 139 N ASP A 12 -6.748 -12.763 0.534 1.00 0.00 N ATOM 140 CA ASP A 12 -6.202 -12.857 -0.815 1.00 0.00 C ATOM 141 C ASP A 12 -6.889 -11.866 -1.749 1.00 0.00 C ATOM 142 O ASP A 12 -8.000 -12.111 -2.221 1.00 0.00 O ATOM 143 CB ASP A 12 -6.360 -14.279 -1.355 1.00 0.00 C ATOM 144 CG ASP A 12 -7.673 -14.914 -0.939 1.00 0.00 C ATOM 145 OD1 ASP A 12 -7.872 -15.123 0.276 1.00 0.00 O ATOM 146 OD2 ASP A 12 -8.501 -15.199 -1.829 1.00 0.00 O ATOM 0 H ASP A 12 -7.393 -13.514 0.781 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.141 -12.611 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.297 -14.260 -2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.533 -14.894 -0.999 1.00 0.00 H new ATOM 151 N ILE A 13 -6.222 -10.747 -2.011 1.00 0.00 N ATOM 152 CA ILE A 13 -6.769 -9.719 -2.888 1.00 0.00 C ATOM 153 C ILE A 13 -6.947 -10.246 -4.308 1.00 0.00 C ATOM 154 O ILE A 13 -7.944 -9.956 -4.969 1.00 0.00 O ATOM 155 CB ILE A 13 -5.867 -8.472 -2.924 1.00 0.00 C ATOM 156 CG1 ILE A 13 -5.829 -7.803 -1.549 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.358 -7.494 -3.981 1.00 0.00 C ATOM 158 CD1 ILE A 13 -4.818 -6.682 -1.450 1.00 0.00 C ATOM 0 H ILE A 13 -5.302 -10.529 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.742 -9.442 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.855 -8.781 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.819 -7.410 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.600 -8.555 -0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.710 -6.617 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.338 -7.975 -4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.378 -7.188 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.846 -6.254 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.820 -7.073 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.058 -5.910 -2.181 1.00 0.00 H new ATOM 170 N LEU A 14 -5.974 -11.024 -4.770 1.00 0.00 N ATOM 171 CA LEU A 14 -6.022 -11.594 -6.112 1.00 0.00 C ATOM 172 C LEU A 14 -6.581 -13.013 -6.081 1.00 0.00 C ATOM 173 O LEU A 14 -7.208 -13.465 -7.037 1.00 0.00 O ATOM 174 CB LEU A 14 -4.626 -11.597 -6.737 1.00 0.00 C ATOM 175 CG LEU A 14 -3.983 -10.226 -6.949 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.513 -10.376 -7.309 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.723 -9.450 -8.029 1.00 0.00 C ATOM 0 H LEU A 14 -5.142 -11.274 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.683 -10.976 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.967 -12.191 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.682 -12.103 -7.701 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.052 -9.666 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.072 -9.390 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.991 -10.890 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.421 -10.956 -8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.251 -8.477 -8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.687 -10.006 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.762 -9.311 -7.730 1.00 0.00 H new ATOM 189 N GLY A 15 -6.349 -13.710 -4.972 1.00 0.00 N ATOM 190 CA GLY A 15 -6.837 -15.070 -4.836 1.00 0.00 C ATOM 191 C GLY A 15 -5.715 -16.088 -4.801 1.00 0.00 C ATOM 192 O GLY A 15 -5.839 -17.138 -4.170 1.00 0.00 O ATOM 0 H GLY A 15 -5.832 -13.357 -4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.426 -15.152 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.504 -15.298 -5.667 1.00 0.00 H new ATOM 196 N ASN A 16 -4.616 -15.779 -5.481 1.00 0.00 N ATOM 197 CA ASN A 16 -3.467 -16.677 -5.527 1.00 0.00 C ATOM 198 C ASN A 16 -2.783 -16.754 -4.166 1.00 0.00 C ATOM 199 O ASN A 16 -2.252 -17.796 -3.784 1.00 0.00 O ATOM 200 CB ASN A 16 -2.469 -16.207 -6.587 1.00 0.00 C ATOM 201 CG ASN A 16 -2.538 -14.711 -6.823 1.00 0.00 C ATOM 202 OD1 ASN A 16 -2.213 -13.934 -5.796 1.00 0.00 O flip ATOM 203 ND2 ASN A 16 -2.878 -14.259 -7.917 1.00 0.00 N flip ATOM 0 H ASN A 16 -4.496 -14.914 -6.008 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.825 -17.672 -5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.460 -16.477 -6.277 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.665 -16.729 -7.523 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.119 -14.894 -8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.918 -13.250 -8.062 1.00 0.00 H new ATOM 210 N GLY A 17 -2.800 -15.642 -3.436 1.00 0.00 N ATOM 211 CA GLY A 17 -2.178 -15.605 -2.126 1.00 0.00 C ATOM 212 C GLY A 17 -1.058 -14.587 -2.044 1.00 0.00 C ATOM 213 O GLY A 17 -0.835 -13.980 -0.995 1.00 0.00 O ATOM 0 H GLY A 17 -3.234 -14.767 -3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.933 -15.371 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.785 -16.593 -1.886 1.00 0.00 H new ATOM 217 N LEU A 18 -0.350 -14.398 -3.152 1.00 0.00 N ATOM 218 CA LEU A 18 0.755 -13.447 -3.201 1.00 0.00 C ATOM 219 C LEU A 18 0.353 -12.113 -2.580 1.00 0.00 C ATOM 220 O LEU A 18 0.838 -11.743 -1.510 1.00 0.00 O ATOM 221 CB LEU A 18 1.207 -13.234 -4.647 1.00 0.00 C ATOM 222 CG LEU A 18 2.174 -14.277 -5.208 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.381 -14.431 -4.295 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.470 -15.613 -5.395 1.00 0.00 C ATOM 0 H LEU A 18 -0.521 -14.891 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 18 1.583 -13.860 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.322 -13.209 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.679 -12.254 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 18 2.522 -13.934 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.058 -15.177 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.900 -13.476 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.051 -14.750 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.174 -16.342 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.092 -15.963 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.639 -15.492 -6.090 1.00 0.00 H new ATOM 236 N LEU A 19 -0.536 -11.395 -3.258 1.00 0.00 N ATOM 237 CA LEU A 19 -1.005 -10.102 -2.772 1.00 0.00 C ATOM 238 C LEU A 19 -2.083 -10.280 -1.707 1.00 0.00 C ATOM 239 O LEU A 19 -3.236 -10.576 -2.020 1.00 0.00 O ATOM 240 CB LEU A 19 -1.550 -9.267 -3.931 1.00 0.00 C ATOM 241 CG LEU A 19 -2.090 -7.883 -3.566 1.00 0.00 C ATOM 242 CD1 LEU A 19 -0.948 -6.936 -3.234 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.936 -7.325 -4.701 1.00 0.00 C ATOM 0 H LEU A 19 -0.946 -11.686 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.159 -9.581 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.756 -9.143 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.348 -9.830 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.722 -7.981 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.351 -5.956 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.383 -7.329 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.290 -6.842 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.312 -6.340 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.327 -7.241 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.776 -7.993 -4.892 1.00 0.00 H new ATOM 255 N ARG A 20 -1.700 -10.094 -0.448 1.00 0.00 N ATOM 256 CA ARG A 20 -2.634 -10.232 0.663 1.00 0.00 C ATOM 257 C ARG A 20 -2.889 -8.884 1.330 1.00 0.00 C ATOM 258 O ARG A 20 -2.110 -7.943 1.173 1.00 0.00 O ATOM 259 CB ARG A 20 -2.092 -11.227 1.691 1.00 0.00 C ATOM 260 CG ARG A 20 -2.347 -12.680 1.326 1.00 0.00 C ATOM 261 CD ARG A 20 -1.261 -13.591 1.876 1.00 0.00 C ATOM 262 NE ARG A 20 -1.350 -14.942 1.327 1.00 0.00 N ATOM 263 CZ ARG A 20 -2.320 -15.797 1.632 1.00 0.00 C ATOM 264 NH1 ARG A 20 -3.279 -15.442 2.476 1.00 0.00 N ATOM 265 NH2 ARG A 20 -2.333 -17.008 1.092 1.00 0.00 N ATOM 0 H ARG A 20 -0.750 -9.847 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.578 -10.606 0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.019 -11.072 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.547 -11.019 2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.316 -12.990 1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.394 -12.781 0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.283 -13.169 1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.340 -13.635 2.962 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.628 -15.245 0.674 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.273 -14.511 2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.023 -16.100 2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.598 -17.284 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.078 -17.663 1.327 1.00 0.00 H new ATOM 279 N LYS A 21 -3.987 -8.796 2.074 1.00 0.00 N ATOM 280 CA LYS A 21 -4.346 -7.563 2.765 1.00 0.00 C ATOM 281 C LYS A 21 -4.694 -7.840 4.224 1.00 0.00 C ATOM 282 O LYS A 21 -5.391 -8.806 4.535 1.00 0.00 O ATOM 283 CB LYS A 21 -5.529 -6.889 2.067 1.00 0.00 C ATOM 284 CG LYS A 21 -5.703 -5.427 2.440 1.00 0.00 C ATOM 285 CD LYS A 21 -6.651 -4.717 1.488 1.00 0.00 C ATOM 286 CE LYS A 21 -8.085 -5.189 1.675 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.397 -6.367 0.820 1.00 0.00 N ATOM 0 H LYS A 21 -4.644 -9.564 2.214 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.486 -6.895 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.396 -6.967 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.442 -7.430 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.086 -5.353 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.733 -4.930 2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.596 -3.641 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.338 -4.898 0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.249 -5.446 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.769 -4.375 1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.077 -6.982 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.808 -6.044 -0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.524 -6.899 0.630 1.00 0.00 H new ATOM 301 N LYS A 22 -4.205 -6.986 5.117 1.00 0.00 N ATOM 302 CA LYS A 22 -4.466 -7.135 6.543 1.00 0.00 C ATOM 303 C LYS A 22 -4.900 -5.809 7.159 1.00 0.00 C ATOM 304 O LYS A 22 -4.072 -4.938 7.431 1.00 0.00 O ATOM 305 CB LYS A 22 -3.218 -7.658 7.259 1.00 0.00 C ATOM 306 CG LYS A 22 -3.409 -7.852 8.753 1.00 0.00 C ATOM 307 CD LYS A 22 -2.254 -8.624 9.368 1.00 0.00 C ATOM 308 CE LYS A 22 -1.034 -7.738 9.567 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.119 -8.280 10.608 1.00 0.00 N ATOM 0 H LYS A 22 -3.625 -6.182 4.877 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.276 -7.854 6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.925 -8.608 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.396 -6.961 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.497 -6.880 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.342 -8.385 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.563 -9.040 10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.993 -9.465 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.496 -7.644 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.355 -6.736 9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.700 -7.648 10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.625 -8.346 11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.208 -9.226 10.324 1.00 0.00 H new ATOM 323 N THR A 23 -6.202 -5.662 7.379 1.00 0.00 N ATOM 324 CA THR A 23 -6.746 -4.442 7.963 1.00 0.00 C ATOM 325 C THR A 23 -6.219 -4.228 9.378 1.00 0.00 C ATOM 326 O THR A 23 -6.664 -4.881 10.323 1.00 0.00 O ATOM 327 CB THR A 23 -8.286 -4.475 8.001 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.804 -4.670 6.680 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.840 -3.184 8.583 1.00 0.00 C ATOM 0 H THR A 23 -6.900 -6.373 7.162 1.00 0.00 H new ATOM 0 HA THR A 23 -6.423 -3.617 7.328 1.00 0.00 H new ATOM 0 HB THR A 23 -8.595 -5.304 8.638 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.783 -4.692 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.929 -3.230 8.600 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.467 -3.053 9.599 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.522 -2.342 7.968 1.00 0.00 H new ATOM 337 N LEU A 24 -5.270 -3.310 9.517 1.00 0.00 N ATOM 338 CA LEU A 24 -4.682 -3.008 10.818 1.00 0.00 C ATOM 339 C LEU A 24 -5.659 -2.225 11.689 1.00 0.00 C ATOM 340 O LEU A 24 -5.807 -2.503 12.879 1.00 0.00 O ATOM 341 CB LEU A 24 -3.387 -2.213 10.643 1.00 0.00 C ATOM 342 CG LEU A 24 -2.292 -2.888 9.817 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.011 -2.070 9.858 1.00 0.00 C ATOM 344 CD2 LEU A 24 -2.039 -4.302 10.319 1.00 0.00 C ATOM 0 H LEU A 24 -4.891 -2.761 8.745 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.457 -3.952 11.315 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.630 -1.259 10.176 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.984 -1.991 11.631 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.629 -2.946 8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.243 -2.566 9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.200 -1.077 9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.670 -1.979 10.889 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.257 -4.767 9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.724 -4.267 11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.955 -4.887 10.236 1.00 0.00 H new ATOM 356 N VAL A 25 -6.326 -1.245 11.087 1.00 0.00 N ATOM 357 CA VAL A 25 -7.292 -0.423 11.806 1.00 0.00 C ATOM 358 C VAL A 25 -8.436 0.006 10.894 1.00 0.00 C ATOM 359 O VAL A 25 -8.254 0.770 9.946 1.00 0.00 O ATOM 360 CB VAL A 25 -6.628 0.831 12.402 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.656 1.689 13.124 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.496 0.440 13.340 1.00 0.00 C ATOM 0 H VAL A 25 -6.215 -1.001 10.103 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.687 -1.036 12.616 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.207 1.419 11.586 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.167 2.571 13.539 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.429 1.999 12.421 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.109 1.113 13.930 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.038 1.339 13.752 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.891 -0.171 14.152 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.747 -0.129 12.789 1.00 0.00 H new ATOM 372 N PRO A 26 -9.645 -0.497 11.184 1.00 0.00 N ATOM 373 CA PRO A 26 -10.843 -0.178 10.403 1.00 0.00 C ATOM 374 C PRO A 26 -11.291 1.267 10.590 1.00 0.00 C ATOM 375 O PRO A 26 -10.995 1.892 11.608 1.00 0.00 O ATOM 376 CB PRO A 26 -11.896 -1.140 10.959 1.00 0.00 C ATOM 377 CG PRO A 26 -11.438 -1.442 12.344 1.00 0.00 C ATOM 378 CD PRO A 26 -9.935 -1.414 12.299 1.00 0.00 C ATOM 0 HA PRO A 26 -10.670 -0.285 9.332 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.887 -0.685 10.960 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.962 -2.046 10.357 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.821 -0.706 13.051 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.800 -2.417 12.671 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.511 -1.054 13.236 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.520 -2.406 12.122 1.00 0.00 H new ATOM 386 N GLY A 27 -12.006 1.794 9.600 1.00 0.00 N ATOM 387 CA GLY A 27 -12.482 3.163 9.676 1.00 0.00 C ATOM 388 C GLY A 27 -13.905 3.253 10.190 1.00 0.00 C ATOM 389 O GLY A 27 -14.574 2.243 10.411 1.00 0.00 O ATOM 0 H GLY A 27 -12.264 1.297 8.747 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.826 3.737 10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.426 3.619 8.688 1.00 0.00 H new ATOM 393 N PRO A 28 -14.389 4.488 10.391 1.00 0.00 N ATOM 394 CA PRO A 28 -15.746 4.736 10.886 1.00 0.00 C ATOM 395 C PRO A 28 -16.813 4.380 9.856 1.00 0.00 C ATOM 396 O PRO A 28 -16.534 4.216 8.669 1.00 0.00 O ATOM 397 CB PRO A 28 -15.753 6.241 11.164 1.00 0.00 C ATOM 398 CG PRO A 28 -14.708 6.798 10.259 1.00 0.00 C ATOM 399 CD PRO A 28 -13.648 5.737 10.149 1.00 0.00 C ATOM 0 HA PRO A 28 -15.979 4.126 11.759 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.730 6.677 10.957 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.525 6.452 12.209 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.125 7.036 9.281 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.295 7.722 10.662 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.176 5.740 9.166 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.856 5.883 10.883 1.00 0.00 H new ATOM 407 N PRO A 29 -18.066 4.257 10.319 1.00 0.00 N ATOM 408 CA PRO A 29 -19.200 3.919 9.454 1.00 0.00 C ATOM 409 C PRO A 29 -19.559 5.053 8.501 1.00 0.00 C ATOM 410 O PRO A 29 -20.462 4.921 7.676 1.00 0.00 O ATOM 411 CB PRO A 29 -20.341 3.672 10.445 1.00 0.00 C ATOM 412 CG PRO A 29 -19.973 4.465 11.651 1.00 0.00 C ATOM 413 CD PRO A 29 -18.472 4.438 11.723 1.00 0.00 C ATOM 0 HA PRO A 29 -18.983 3.066 8.812 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.298 3.995 10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.437 2.612 10.682 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.341 5.488 11.573 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.414 4.035 12.550 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.073 5.362 12.141 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.115 3.623 12.353 1.00 0.00 H new ATOM 421 N GLY A 30 -18.846 6.169 8.619 1.00 0.00 N ATOM 422 CA GLY A 30 -19.104 7.310 7.761 1.00 0.00 C ATOM 423 C GLY A 30 -18.248 7.302 6.511 1.00 0.00 C ATOM 424 O GLY A 30 -18.660 7.801 5.464 1.00 0.00 O ATOM 0 H GLY A 30 -18.094 6.303 9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.156 7.316 7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.919 8.228 8.318 1.00 0.00 H new ATOM 428 N SER A 31 -17.051 6.734 6.619 1.00 0.00 N ATOM 429 CA SER A 31 -16.131 6.667 5.490 1.00 0.00 C ATOM 430 C SER A 31 -16.711 5.814 4.366 1.00 0.00 C ATOM 431 O SER A 31 -17.761 5.191 4.524 1.00 0.00 O ATOM 432 CB SER A 31 -14.783 6.097 5.935 1.00 0.00 C ATOM 433 OG SER A 31 -14.955 5.092 6.920 1.00 0.00 O ATOM 0 H SER A 31 -16.696 6.313 7.478 1.00 0.00 H new ATOM 0 HA SER A 31 -15.982 7.679 5.115 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.258 5.682 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.159 6.898 6.333 1.00 0.00 H new ATOM 0 HG SER A 31 -15.912 4.945 7.074 1.00 0.00 H new ATOM 439 N SER A 32 -16.020 5.791 3.231 1.00 0.00 N ATOM 440 CA SER A 32 -16.467 5.018 2.079 1.00 0.00 C ATOM 441 C SER A 32 -15.388 4.973 1.002 1.00 0.00 C ATOM 442 O SER A 32 -14.743 5.981 0.712 1.00 0.00 O ATOM 443 CB SER A 32 -17.753 5.616 1.504 1.00 0.00 C ATOM 444 OG SER A 32 -17.643 7.022 1.366 1.00 0.00 O ATOM 0 H SER A 32 -15.148 6.299 3.085 1.00 0.00 H new ATOM 0 HA SER A 32 -16.666 3.999 2.412 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.964 5.167 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.593 5.376 2.156 1.00 0.00 H new ATOM 0 HG SER A 32 -18.476 7.380 0.995 1.00 0.00 H new ATOM 450 N ARG A 33 -15.196 3.797 0.413 1.00 0.00 N ATOM 451 CA ARG A 33 -14.194 3.620 -0.631 1.00 0.00 C ATOM 452 C ARG A 33 -14.187 4.811 -1.585 1.00 0.00 C ATOM 453 O ARG A 33 -15.232 5.317 -1.994 1.00 0.00 O ATOM 454 CB ARG A 33 -14.461 2.331 -1.410 1.00 0.00 C ATOM 455 CG ARG A 33 -14.332 1.072 -0.568 1.00 0.00 C ATOM 456 CD ARG A 33 -13.973 -0.134 -1.420 1.00 0.00 C ATOM 457 NE ARG A 33 -14.499 -1.376 -0.861 1.00 0.00 N ATOM 458 CZ ARG A 33 -13.972 -1.989 0.194 1.00 0.00 C ATOM 459 NH1 ARG A 33 -12.910 -1.477 0.799 1.00 0.00 N ATOM 460 NH2 ARG A 33 -14.508 -3.116 0.644 1.00 0.00 N ATOM 0 H ARG A 33 -15.721 2.953 0.641 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.216 3.553 -0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.465 2.374 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.765 2.271 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.568 1.220 0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.271 0.884 -0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.365 0.005 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.889 -0.206 -1.507 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.316 -1.796 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.495 -0.611 0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.507 -1.949 1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.325 -3.513 0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.103 -3.586 1.454 1.00 0.00 H new ATOM 474 N PRO A 34 -12.980 5.270 -1.949 1.00 0.00 N ATOM 475 CA PRO A 34 -12.807 6.407 -2.858 1.00 0.00 C ATOM 476 C PRO A 34 -13.219 6.073 -4.288 1.00 0.00 C ATOM 477 O PRO A 34 -13.902 5.079 -4.532 1.00 0.00 O ATOM 478 CB PRO A 34 -11.305 6.692 -2.787 1.00 0.00 C ATOM 479 CG PRO A 34 -10.690 5.393 -2.394 1.00 0.00 C ATOM 480 CD PRO A 34 -11.692 4.716 -1.500 1.00 0.00 C ATOM 0 HA PRO A 34 -13.430 7.255 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.922 7.037 -3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -11.084 7.471 -2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.473 4.782 -3.271 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.745 5.550 -1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.661 3.632 -1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.505 4.935 -0.449 1.00 0.00 H new ATOM 488 N VAL A 35 -12.798 6.910 -5.231 1.00 0.00 N ATOM 489 CA VAL A 35 -13.122 6.703 -6.637 1.00 0.00 C ATOM 490 C VAL A 35 -11.858 6.541 -7.474 1.00 0.00 C ATOM 491 O VAL A 35 -10.771 6.945 -7.062 1.00 0.00 O ATOM 492 CB VAL A 35 -13.952 7.872 -7.201 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.319 9.204 -6.827 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.095 7.744 -8.710 1.00 0.00 C ATOM 0 H VAL A 35 -12.232 7.738 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.712 5.788 -6.694 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.949 7.834 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.918 10.019 -7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.274 9.293 -5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.311 9.256 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.684 8.578 -9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.108 7.756 -9.171 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.596 6.806 -8.950 1.00 0.00 H new ATOM 504 N LYS A 36 -12.008 5.947 -8.653 1.00 0.00 N ATOM 505 CA LYS A 36 -10.880 5.732 -9.552 1.00 0.00 C ATOM 506 C LYS A 36 -10.724 6.902 -10.518 1.00 0.00 C ATOM 507 O LYS A 36 -11.602 7.163 -11.339 1.00 0.00 O ATOM 508 CB LYS A 36 -11.066 4.431 -10.335 1.00 0.00 C ATOM 509 CG LYS A 36 -9.924 4.127 -11.289 1.00 0.00 C ATOM 510 CD LYS A 36 -9.959 2.683 -11.760 1.00 0.00 C ATOM 511 CE LYS A 36 -9.455 1.734 -10.683 1.00 0.00 C ATOM 512 NZ LYS A 36 -9.785 0.315 -10.996 1.00 0.00 N ATOM 0 H LYS A 36 -12.901 5.605 -9.009 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.975 5.659 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.170 3.605 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.996 4.487 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.981 4.793 -12.150 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.973 4.326 -10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.978 2.414 -12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.347 2.576 -12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.375 1.842 -10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.895 2.006 -9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.425 -0.300 -10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.817 0.207 -11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.344 0.047 -11.899 1.00 0.00 H new ATOM 526 N GLY A 37 -9.598 7.603 -10.415 1.00 0.00 N ATOM 527 CA GLY A 37 -9.348 8.735 -11.287 1.00 0.00 C ATOM 528 C GLY A 37 -9.155 10.027 -10.519 1.00 0.00 C ATOM 529 O GLY A 37 -9.065 11.102 -11.112 1.00 0.00 O ATOM 0 H GLY A 37 -8.856 7.407 -9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.461 8.537 -11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.183 8.848 -11.979 1.00 0.00 H new ATOM 533 N GLN A 38 -9.093 9.923 -9.195 1.00 0.00 N ATOM 534 CA GLN A 38 -8.912 11.094 -8.345 1.00 0.00 C ATOM 535 C GLN A 38 -7.562 11.049 -7.637 1.00 0.00 C ATOM 536 O GLN A 38 -6.899 10.012 -7.607 1.00 0.00 O ATOM 537 CB GLN A 38 -10.039 11.181 -7.314 1.00 0.00 C ATOM 538 CG GLN A 38 -11.377 11.589 -7.909 1.00 0.00 C ATOM 539 CD GLN A 38 -12.241 12.357 -6.929 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.382 11.980 -6.661 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.700 13.443 -6.388 1.00 0.00 N ATOM 0 H GLN A 38 -9.165 9.041 -8.688 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.940 11.980 -8.979 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.148 10.213 -6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.760 11.898 -6.542 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.205 12.202 -8.794 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.911 10.698 -8.238 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.751 13.719 -6.639 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.234 14.001 -5.722 1.00 0.00 H new ATOM 550 N VAL A 39 -7.159 12.181 -7.069 1.00 0.00 N ATOM 551 CA VAL A 39 -5.888 12.271 -6.360 1.00 0.00 C ATOM 552 C VAL A 39 -5.989 11.656 -4.969 1.00 0.00 C ATOM 553 O VAL A 39 -6.616 12.221 -4.073 1.00 0.00 O ATOM 554 CB VAL A 39 -5.420 13.733 -6.230 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.207 13.827 -5.318 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.114 14.318 -7.601 1.00 0.00 C ATOM 0 H VAL A 39 -7.695 13.049 -7.086 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.158 11.714 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.226 14.316 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.891 14.867 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.466 13.450 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.393 13.231 -5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.785 15.351 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.326 13.735 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.012 14.287 -8.218 1.00 0.00 H new ATOM 566 N VAL A 40 -5.368 10.494 -4.795 1.00 0.00 N ATOM 567 CA VAL A 40 -5.386 9.802 -3.512 1.00 0.00 C ATOM 568 C VAL A 40 -4.044 9.926 -2.801 1.00 0.00 C ATOM 569 O VAL A 40 -2.991 9.667 -3.386 1.00 0.00 O ATOM 570 CB VAL A 40 -5.727 8.309 -3.685 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.230 8.092 -3.605 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.173 7.786 -5.001 1.00 0.00 C ATOM 0 H VAL A 40 -4.846 10.012 -5.527 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.159 10.277 -2.907 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.260 7.751 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.452 7.032 -3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.595 8.428 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.722 8.661 -4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.423 6.730 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.609 8.347 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.090 7.905 -5.013 1.00 0.00 H new ATOM 582 N THR A 41 -4.086 10.326 -1.533 1.00 0.00 N ATOM 583 CA THR A 41 -2.873 10.486 -0.741 1.00 0.00 C ATOM 584 C THR A 41 -2.855 9.519 0.437 1.00 0.00 C ATOM 585 O THR A 41 -3.715 9.580 1.316 1.00 0.00 O ATOM 586 CB THR A 41 -2.734 11.926 -0.213 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.024 12.861 -1.257 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.330 12.173 0.320 1.00 0.00 C ATOM 0 H THR A 41 -4.948 10.545 -1.033 1.00 0.00 H new ATOM 0 HA THR A 41 -2.033 10.266 -1.400 1.00 0.00 H new ATOM 0 HB THR A 41 -3.445 12.061 0.602 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.935 13.774 -0.912 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.255 13.196 0.688 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.123 11.479 1.134 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.605 12.021 -0.480 1.00 0.00 H new ATOM 596 N VAL A 42 -1.868 8.629 0.451 1.00 0.00 N ATOM 597 CA VAL A 42 -1.737 7.650 1.524 1.00 0.00 C ATOM 598 C VAL A 42 -0.296 7.561 2.013 1.00 0.00 C ATOM 599 O VAL A 42 0.605 8.174 1.439 1.00 0.00 O ATOM 600 CB VAL A 42 -2.200 6.253 1.070 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.443 6.360 0.199 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.081 5.535 0.331 1.00 0.00 C ATOM 0 H VAL A 42 -1.148 8.566 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.375 7.988 2.340 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.454 5.668 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.756 5.363 -0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.245 6.831 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.219 6.962 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.426 4.550 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.794 6.115 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.221 5.425 0.991 1.00 0.00 H new ATOM 612 N HIS A 43 -0.084 6.793 3.077 1.00 0.00 N ATOM 613 CA HIS A 43 1.249 6.622 3.644 1.00 0.00 C ATOM 614 C HIS A 43 1.702 5.169 3.540 1.00 0.00 C ATOM 615 O HIS A 43 1.235 4.308 4.287 1.00 0.00 O ATOM 616 CB HIS A 43 1.266 7.071 5.106 1.00 0.00 C ATOM 617 CG HIS A 43 2.631 7.052 5.722 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.735 6.335 5.406 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 2.981 7.837 6.800 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.722 6.697 6.290 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.242 7.605 7.120 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.818 6.279 3.564 1.00 0.00 H new ATOM 0 HA HIS A 43 1.941 7.241 3.074 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.860 8.081 5.172 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.606 6.424 5.684 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.327 8.533 7.304 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.727 6.303 6.304 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.757 8.051 7.879 1.00 0.00 H new ATOM 630 N LEU A 44 2.611 4.903 2.610 1.00 0.00 N ATOM 631 CA LEU A 44 3.127 3.553 2.407 1.00 0.00 C ATOM 632 C LEU A 44 4.605 3.474 2.776 1.00 0.00 C ATOM 633 O LEU A 44 5.326 4.468 2.705 1.00 0.00 O ATOM 634 CB LEU A 44 2.929 3.123 0.953 1.00 0.00 C ATOM 635 CG LEU A 44 4.166 3.193 0.058 1.00 0.00 C ATOM 636 CD1 LEU A 44 4.796 4.575 0.124 1.00 0.00 C ATOM 637 CD2 LEU A 44 5.175 2.126 0.458 1.00 0.00 C ATOM 0 H LEU A 44 3.007 5.604 1.984 1.00 0.00 H new ATOM 0 HA LEU A 44 2.572 2.877 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.557 2.098 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.151 3.747 0.513 1.00 0.00 H new ATOM 0 HG LEU A 44 3.857 3.006 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.675 4.605 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.075 5.320 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.090 4.792 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.049 2.191 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.478 2.282 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.721 1.140 0.357 1.00 0.00 H new ATOM 649 N GLN A 45 5.048 2.284 3.169 1.00 0.00 N ATOM 650 CA GLN A 45 6.441 2.075 3.547 1.00 0.00 C ATOM 651 C GLN A 45 6.931 0.707 3.083 1.00 0.00 C ATOM 652 O GLN A 45 6.416 -0.327 3.508 1.00 0.00 O ATOM 653 CB GLN A 45 6.604 2.201 5.063 1.00 0.00 C ATOM 654 CG GLN A 45 6.151 3.543 5.614 1.00 0.00 C ATOM 655 CD GLN A 45 6.630 3.783 7.032 1.00 0.00 C ATOM 656 OE1 GLN A 45 5.829 3.994 7.943 1.00 0.00 O ATOM 657 NE2 GLN A 45 7.943 3.753 7.227 1.00 0.00 N ATOM 0 H GLN A 45 4.463 1.451 3.234 1.00 0.00 H new ATOM 0 HA GLN A 45 7.043 2.841 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.035 1.408 5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.652 2.046 5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.522 4.340 4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.062 3.593 5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.571 3.575 6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.324 3.908 8.160 1.00 0.00 H new ATOM 666 N THR A 46 7.931 0.709 2.207 1.00 0.00 N ATOM 667 CA THR A 46 8.491 -0.531 1.683 1.00 0.00 C ATOM 668 C THR A 46 9.565 -1.085 2.613 1.00 0.00 C ATOM 669 O THR A 46 10.480 -0.368 3.017 1.00 0.00 O ATOM 670 CB THR A 46 9.097 -0.327 0.282 1.00 0.00 C ATOM 671 OG1 THR A 46 8.224 0.481 -0.516 1.00 0.00 O ATOM 672 CG2 THR A 46 9.331 -1.663 -0.407 1.00 0.00 C ATOM 0 H THR A 46 8.370 1.556 1.845 1.00 0.00 H new ATOM 0 HA THR A 46 7.670 -1.244 1.614 1.00 0.00 H new ATOM 0 HB THR A 46 10.056 0.178 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.465 0.388 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.759 -1.493 -1.395 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.019 -2.264 0.188 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.383 -2.191 -0.509 1.00 0.00 H new ATOM 680 N SER A 47 9.447 -2.366 2.948 1.00 0.00 N ATOM 681 CA SER A 47 10.407 -3.015 3.833 1.00 0.00 C ATOM 682 C SER A 47 10.608 -4.476 3.439 1.00 0.00 C ATOM 683 O SER A 47 9.679 -5.139 2.975 1.00 0.00 O ATOM 684 CB SER A 47 9.934 -2.928 5.285 1.00 0.00 C ATOM 685 OG SER A 47 8.623 -3.447 5.427 1.00 0.00 O ATOM 0 H SER A 47 8.697 -2.974 2.620 1.00 0.00 H new ATOM 0 HA SER A 47 11.361 -2.496 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.619 -3.481 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.955 -1.890 5.616 1.00 0.00 H new ATOM 0 HG SER A 47 8.345 -3.381 6.364 1.00 0.00 H new ATOM 691 N LEU A 48 11.826 -4.971 3.627 1.00 0.00 N ATOM 692 CA LEU A 48 12.151 -6.353 3.292 1.00 0.00 C ATOM 693 C LEU A 48 11.499 -7.319 4.276 1.00 0.00 C ATOM 694 O LEU A 48 11.404 -7.034 5.469 1.00 0.00 O ATOM 695 CB LEU A 48 13.667 -6.555 3.289 1.00 0.00 C ATOM 696 CG LEU A 48 14.368 -6.351 1.946 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.002 -7.465 0.977 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.012 -4.993 1.359 1.00 0.00 C ATOM 0 H LEU A 48 12.605 -4.436 4.010 1.00 0.00 H new ATOM 0 HA LEU A 48 11.762 -6.561 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.106 -5.869 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.880 -7.566 3.637 1.00 0.00 H new ATOM 0 HG LEU A 48 15.445 -6.382 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.511 -7.302 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.309 -8.425 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.924 -7.467 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.520 -4.865 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.934 -4.933 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.326 -4.206 2.045 1.00 0.00 H new ATOM 710 N GLU A 49 11.054 -8.464 3.767 1.00 0.00 N ATOM 711 CA GLU A 49 10.413 -9.473 4.602 1.00 0.00 C ATOM 712 C GLU A 49 11.171 -9.655 5.914 1.00 0.00 C ATOM 713 O GLU A 49 10.604 -10.086 6.916 1.00 0.00 O ATOM 714 CB GLU A 49 10.333 -10.807 3.857 1.00 0.00 C ATOM 715 CG GLU A 49 9.314 -11.770 4.443 1.00 0.00 C ATOM 716 CD GLU A 49 9.103 -12.995 3.574 1.00 0.00 C ATOM 717 OE1 GLU A 49 10.078 -13.450 2.942 1.00 0.00 O ATOM 718 OE2 GLU A 49 7.960 -13.498 3.528 1.00 0.00 O ATOM 0 H GLU A 49 11.126 -8.716 2.781 1.00 0.00 H new ATOM 0 HA GLU A 49 9.403 -9.131 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.082 -10.617 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.315 -11.279 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.644 -12.084 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.363 -11.253 4.573 1.00 0.00 H new ATOM 725 N ASN A 50 12.458 -9.322 5.898 1.00 0.00 N ATOM 726 CA ASN A 50 13.295 -9.450 7.085 1.00 0.00 C ATOM 727 C ASN A 50 13.136 -8.237 7.996 1.00 0.00 C ATOM 728 O ASN A 50 13.020 -8.372 9.213 1.00 0.00 O ATOM 729 CB ASN A 50 14.763 -9.611 6.685 1.00 0.00 C ATOM 730 CG ASN A 50 15.190 -8.604 5.635 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.347 -7.418 5.924 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.380 -9.074 4.407 1.00 0.00 N ATOM 0 H ASN A 50 12.943 -8.962 5.076 1.00 0.00 H new ATOM 0 HA ASN A 50 12.974 -10.337 7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.392 -9.499 7.568 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.924 -10.619 6.304 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.668 -8.444 3.659 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.238 -10.065 4.213 1.00 0.00 H new ATOM 739 N GLY A 51 13.130 -7.050 7.397 1.00 0.00 N ATOM 740 CA GLY A 51 12.984 -5.830 8.169 1.00 0.00 C ATOM 741 C GLY A 51 13.947 -4.746 7.728 1.00 0.00 C ATOM 742 O GLY A 51 14.456 -3.983 8.551 1.00 0.00 O ATOM 0 H GLY A 51 13.224 -6.912 6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.962 -5.464 8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.147 -6.050 9.224 1.00 0.00 H new ATOM 746 N THR A 52 14.202 -4.676 6.425 1.00 0.00 N ATOM 747 CA THR A 52 15.113 -3.679 5.877 1.00 0.00 C ATOM 748 C THR A 52 14.366 -2.662 5.022 1.00 0.00 C ATOM 749 O THR A 52 14.219 -2.842 3.813 1.00 0.00 O ATOM 750 CB THR A 52 16.217 -4.335 5.026 1.00 0.00 C ATOM 751 OG1 THR A 52 16.858 -5.376 5.773 1.00 0.00 O ATOM 752 CG2 THR A 52 17.249 -3.306 4.592 1.00 0.00 C ATOM 0 H THR A 52 13.790 -5.298 5.730 1.00 0.00 H new ATOM 0 HA THR A 52 15.571 -3.170 6.725 1.00 0.00 H new ATOM 0 HB THR A 52 15.754 -4.760 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.490 -6.244 5.506 1.00 0.00 H new ATOM 0 HG21 THR A 52 18.018 -3.793 3.993 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.763 -2.531 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.706 -2.856 5.473 1.00 0.00 H new ATOM 760 N ARG A 53 13.895 -1.594 5.657 1.00 0.00 N ATOM 761 CA ARG A 53 13.162 -0.548 4.954 1.00 0.00 C ATOM 762 C ARG A 53 13.899 -0.126 3.686 1.00 0.00 C ATOM 763 O ARG A 53 15.057 0.291 3.738 1.00 0.00 O ATOM 764 CB ARG A 53 12.959 0.663 5.866 1.00 0.00 C ATOM 765 CG ARG A 53 11.678 0.602 6.682 1.00 0.00 C ATOM 766 CD ARG A 53 11.151 1.994 6.997 1.00 0.00 C ATOM 767 NE ARG A 53 11.760 2.550 8.202 1.00 0.00 N ATOM 768 CZ ARG A 53 11.809 3.851 8.468 1.00 0.00 C ATOM 769 NH1 ARG A 53 11.286 4.724 7.618 1.00 0.00 N ATOM 770 NH2 ARG A 53 12.380 4.280 9.586 1.00 0.00 N ATOM 0 H ARG A 53 14.008 -1.430 6.657 1.00 0.00 H new ATOM 0 HA ARG A 53 12.188 -0.948 4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.809 0.743 6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.950 1.568 5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.922 0.041 6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.862 0.063 7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.347 2.655 6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.069 1.952 7.124 1.00 0.00 H new ATOM 0 HE ARG A 53 12.170 1.904 8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.845 4.397 6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.325 5.722 7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.782 3.611 10.243 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.417 5.279 9.789 1.00 0.00 H new ATOM 784 N VAL A 54 13.221 -0.236 2.548 1.00 0.00 N ATOM 785 CA VAL A 54 13.811 0.134 1.268 1.00 0.00 C ATOM 786 C VAL A 54 13.528 1.595 0.935 1.00 0.00 C ATOM 787 O VAL A 54 14.450 2.381 0.715 1.00 0.00 O ATOM 788 CB VAL A 54 13.279 -0.753 0.127 1.00 0.00 C ATOM 789 CG1 VAL A 54 13.844 -0.300 -1.211 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.614 -2.214 0.388 1.00 0.00 C ATOM 0 H VAL A 54 12.262 -0.579 2.487 1.00 0.00 H new ATOM 0 HA VAL A 54 14.887 -0.013 1.361 1.00 0.00 H new ATOM 0 HB VAL A 54 12.194 -0.653 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.457 -0.939 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.549 0.732 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.932 -0.368 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.231 -2.827 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.695 -2.333 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.156 -2.530 1.325 1.00 0.00 H new ATOM 800 N GLN A 55 12.248 1.951 0.900 1.00 0.00 N ATOM 801 CA GLN A 55 11.844 3.318 0.593 1.00 0.00 C ATOM 802 C GLN A 55 10.729 3.778 1.526 1.00 0.00 C ATOM 803 O GLN A 55 9.801 3.024 1.817 1.00 0.00 O ATOM 804 CB GLN A 55 11.384 3.422 -0.862 1.00 0.00 C ATOM 805 CG GLN A 55 9.961 2.936 -1.086 1.00 0.00 C ATOM 806 CD GLN A 55 9.405 3.360 -2.431 1.00 0.00 C ATOM 807 OE1 GLN A 55 8.920 2.533 -3.204 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.472 4.655 -2.719 1.00 0.00 N ATOM 0 H GLN A 55 11.473 1.312 1.080 1.00 0.00 H new ATOM 0 HA GLN A 55 12.707 3.967 0.740 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.460 4.460 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.060 2.843 -1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.937 1.849 -1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.320 3.323 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.882 5.306 -2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.113 4.999 -3.610 1.00 0.00 H new ATOM 817 N GLU A 56 10.827 5.020 1.990 1.00 0.00 N ATOM 818 CA GLU A 56 9.826 5.579 2.891 1.00 0.00 C ATOM 819 C GLU A 56 9.155 6.800 2.269 1.00 0.00 C ATOM 820 O GLU A 56 9.827 7.724 1.811 1.00 0.00 O ATOM 821 CB GLU A 56 10.466 5.961 4.227 1.00 0.00 C ATOM 822 CG GLU A 56 9.510 6.650 5.186 1.00 0.00 C ATOM 823 CD GLU A 56 9.506 8.158 5.023 1.00 0.00 C ATOM 824 OE1 GLU A 56 10.062 8.648 4.018 1.00 0.00 O ATOM 825 OE2 GLU A 56 8.945 8.847 5.900 1.00 0.00 O ATOM 0 H GLU A 56 11.588 5.657 1.757 1.00 0.00 H new ATOM 0 HA GLU A 56 9.066 4.817 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.859 5.062 4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.315 6.618 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.502 6.268 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.786 6.400 6.210 1.00 0.00 H new ATOM 832 N GLU A 57 7.826 6.796 2.256 1.00 0.00 N ATOM 833 CA GLU A 57 7.064 7.902 1.688 1.00 0.00 C ATOM 834 C GLU A 57 5.912 8.298 2.607 1.00 0.00 C ATOM 835 O GLU A 57 4.876 7.636 2.666 1.00 0.00 O ATOM 836 CB GLU A 57 6.523 7.524 0.308 1.00 0.00 C ATOM 837 CG GLU A 57 6.378 8.707 -0.634 1.00 0.00 C ATOM 838 CD GLU A 57 7.666 9.492 -0.787 1.00 0.00 C ATOM 839 OE1 GLU A 57 8.608 8.968 -1.417 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.731 10.630 -0.278 1.00 0.00 O ATOM 0 H GLU A 57 7.255 6.039 2.632 1.00 0.00 H new ATOM 0 HA GLU A 57 7.734 8.755 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.189 6.789 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.552 7.044 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.056 8.350 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.596 9.369 -0.263 1.00 0.00 H new ATOM 847 N PRO A 58 6.096 9.404 3.344 1.00 0.00 N ATOM 848 CA PRO A 58 5.084 9.913 4.274 1.00 0.00 C ATOM 849 C PRO A 58 3.866 10.478 3.552 1.00 0.00 C ATOM 850 O PRO A 58 2.736 10.335 4.017 1.00 0.00 O ATOM 851 CB PRO A 58 5.821 11.023 5.028 1.00 0.00 C ATOM 852 CG PRO A 58 6.894 11.467 4.095 1.00 0.00 C ATOM 853 CD PRO A 58 7.307 10.242 3.325 1.00 0.00 C ATOM 0 HA PRO A 58 4.693 9.127 4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.150 11.844 5.279 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.239 10.655 5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.530 12.245 3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.738 11.887 4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.609 10.490 2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.152 9.738 3.794 1.00 0.00 H new ATOM 861 N GLU A 59 4.104 11.121 2.412 1.00 0.00 N ATOM 862 CA GLU A 59 3.024 11.707 1.627 1.00 0.00 C ATOM 863 C GLU A 59 3.015 11.144 0.209 1.00 0.00 C ATOM 864 O GLU A 59 3.482 11.789 -0.731 1.00 0.00 O ATOM 865 CB GLU A 59 3.167 13.230 1.582 1.00 0.00 C ATOM 866 CG GLU A 59 1.964 13.936 0.979 1.00 0.00 C ATOM 867 CD GLU A 59 0.911 14.283 2.013 1.00 0.00 C ATOM 868 OE1 GLU A 59 0.639 13.437 2.891 1.00 0.00 O ATOM 869 OE2 GLU A 59 0.359 15.401 1.946 1.00 0.00 O ATOM 0 H GLU A 59 5.034 11.249 2.013 1.00 0.00 H new ATOM 0 HA GLU A 59 2.079 11.451 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.326 13.602 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.055 13.486 1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.294 14.848 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.520 13.299 0.214 1.00 0.00 H new ATOM 876 N LEU A 60 2.481 9.937 0.062 1.00 0.00 N ATOM 877 CA LEU A 60 2.410 9.285 -1.241 1.00 0.00 C ATOM 878 C LEU A 60 1.126 9.664 -1.971 1.00 0.00 C ATOM 879 O LEU A 60 0.025 9.465 -1.457 1.00 0.00 O ATOM 880 CB LEU A 60 2.488 7.766 -1.078 1.00 0.00 C ATOM 881 CG LEU A 60 2.157 6.940 -2.322 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.673 7.030 -2.643 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.991 7.403 -3.507 1.00 0.00 C ATOM 0 H LEU A 60 2.091 9.390 0.829 1.00 0.00 H new ATOM 0 HA LEU A 60 3.258 9.625 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.495 7.507 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.808 7.471 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 60 2.401 5.897 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.456 6.436 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.095 6.649 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.403 8.070 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.742 6.804 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.780 8.452 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.050 7.285 -3.275 1.00 0.00 H new ATOM 895 N VAL A 61 1.274 10.211 -3.174 1.00 0.00 N ATOM 896 CA VAL A 61 0.126 10.615 -3.977 1.00 0.00 C ATOM 897 C VAL A 61 0.204 10.028 -5.382 1.00 0.00 C ATOM 898 O VAL A 61 1.291 9.829 -5.924 1.00 0.00 O ATOM 899 CB VAL A 61 0.024 12.148 -4.078 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.276 12.726 -4.719 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.219 12.549 -4.859 1.00 0.00 C ATOM 0 H VAL A 61 2.178 10.384 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.762 10.231 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.060 12.556 -3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.185 13.810 -4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.146 12.469 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.396 12.313 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.275 13.636 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.168 12.131 -5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.106 12.168 -4.352 1.00 0.00 H new ATOM 911 N PHE A 62 -0.957 9.753 -5.967 1.00 0.00 N ATOM 912 CA PHE A 62 -1.021 9.188 -7.310 1.00 0.00 C ATOM 913 C PHE A 62 -2.445 9.243 -7.856 1.00 0.00 C ATOM 914 O PHE A 62 -3.384 9.596 -7.141 1.00 0.00 O ATOM 915 CB PHE A 62 -0.521 7.742 -7.303 1.00 0.00 C ATOM 916 CG PHE A 62 -1.421 6.800 -6.556 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.656 6.445 -7.073 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.032 6.270 -5.336 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.487 5.579 -6.387 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.858 5.403 -4.646 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.087 5.057 -5.173 1.00 0.00 C ATOM 0 H PHE A 62 -1.866 9.912 -5.532 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.379 9.784 -7.958 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.420 7.396 -8.332 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.473 7.712 -6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.973 6.849 -8.023 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.072 6.538 -4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.448 5.311 -6.800 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.543 4.997 -3.696 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.734 4.379 -4.636 1.00 0.00 H new ATOM 931 N THR A 63 -2.599 8.891 -9.129 1.00 0.00 N ATOM 932 CA THR A 63 -3.906 8.901 -9.772 1.00 0.00 C ATOM 933 C THR A 63 -4.471 7.490 -9.892 1.00 0.00 C ATOM 934 O THR A 63 -4.116 6.744 -10.806 1.00 0.00 O ATOM 935 CB THR A 63 -3.838 9.535 -11.174 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.410 10.898 -11.075 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.193 9.473 -11.863 1.00 0.00 C ATOM 0 H THR A 63 -1.833 8.595 -9.735 1.00 0.00 H new ATOM 0 HA THR A 63 -4.563 9.500 -9.142 1.00 0.00 H new ATOM 0 HB THR A 63 -3.120 8.971 -11.769 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.368 11.293 -11.971 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.120 9.927 -12.851 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.503 8.433 -11.963 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.929 10.015 -11.269 1.00 0.00 H new ATOM 945 N LEU A 64 -5.352 7.129 -8.966 1.00 0.00 N ATOM 946 CA LEU A 64 -5.967 5.807 -8.968 1.00 0.00 C ATOM 947 C LEU A 64 -6.417 5.418 -10.373 1.00 0.00 C ATOM 948 O LEU A 64 -6.863 6.263 -11.149 1.00 0.00 O ATOM 949 CB LEU A 64 -7.159 5.775 -8.011 1.00 0.00 C ATOM 950 CG LEU A 64 -7.752 4.395 -7.722 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.717 3.498 -7.061 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.990 4.520 -6.846 1.00 0.00 C ATOM 0 H LEU A 64 -5.657 7.734 -8.203 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.221 5.086 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.852 6.222 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.946 6.408 -8.422 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.045 3.940 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.156 2.520 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.859 3.383 -7.724 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.393 3.947 -6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.399 3.529 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.721 4.995 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.738 5.126 -7.357 1.00 0.00 H new ATOM 964 N GLY A 65 -6.300 4.133 -10.693 1.00 0.00 N ATOM 965 CA GLY A 65 -6.701 3.655 -12.003 1.00 0.00 C ATOM 966 C GLY A 65 -5.546 3.611 -12.983 1.00 0.00 C ATOM 967 O GLY A 65 -5.511 2.764 -13.875 1.00 0.00 O ATOM 0 H GLY A 65 -5.935 3.414 -10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.130 2.658 -11.907 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.484 4.302 -12.398 1.00 0.00 H new ATOM 971 N ASP A 66 -4.598 4.528 -12.819 1.00 0.00 N ATOM 972 CA ASP A 66 -3.436 4.592 -13.697 1.00 0.00 C ATOM 973 C ASP A 66 -2.357 3.614 -13.242 1.00 0.00 C ATOM 974 O ASP A 66 -1.429 3.306 -13.991 1.00 0.00 O ATOM 975 CB ASP A 66 -2.872 6.013 -13.731 1.00 0.00 C ATOM 976 CG ASP A 66 -3.636 6.916 -14.680 1.00 0.00 C ATOM 977 OD1 ASP A 66 -4.869 6.750 -14.794 1.00 0.00 O ATOM 978 OD2 ASP A 66 -3.001 7.790 -15.306 1.00 0.00 O ATOM 0 H ASP A 66 -4.612 5.237 -12.086 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.755 4.313 -14.701 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.902 6.437 -12.727 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.825 5.978 -14.031 1.00 0.00 H new ATOM 983 N CYS A 67 -2.484 3.132 -12.011 1.00 0.00 N ATOM 984 CA CYS A 67 -1.518 2.190 -11.455 1.00 0.00 C ATOM 985 C CYS A 67 -0.109 2.772 -11.492 1.00 0.00 C ATOM 986 O CYS A 67 0.845 2.090 -11.866 1.00 0.00 O ATOM 987 CB CYS A 67 -1.559 0.871 -12.226 1.00 0.00 C ATOM 988 SG CYS A 67 -3.209 0.142 -12.356 1.00 0.00 S ATOM 0 H CYS A 67 -3.246 3.377 -11.379 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.787 2.002 -10.415 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.167 1.037 -13.229 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.895 0.157 -11.738 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.141 -0.969 -13.027 1.00 0.00 H new ATOM 994 N ASP A 68 0.014 4.036 -11.103 1.00 0.00 N ATOM 995 CA ASP A 68 1.307 4.710 -11.093 1.00 0.00 C ATOM 996 C ASP A 68 2.163 4.225 -9.927 1.00 0.00 C ATOM 997 O ASP A 68 3.381 4.409 -9.919 1.00 0.00 O ATOM 998 CB ASP A 68 1.116 6.225 -11.005 1.00 0.00 C ATOM 999 CG ASP A 68 0.731 6.838 -12.337 1.00 0.00 C ATOM 1000 OD1 ASP A 68 0.245 6.094 -13.214 1.00 0.00 O ATOM 1001 OD2 ASP A 68 0.918 8.062 -12.503 1.00 0.00 O ATOM 0 H ASP A 68 -0.766 4.615 -10.790 1.00 0.00 H new ATOM 0 HA ASP A 68 1.821 4.470 -12.023 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.344 6.449 -10.269 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.038 6.685 -10.650 1.00 0.00 H new ATOM 1006 N VAL A 69 1.519 3.606 -8.943 1.00 0.00 N ATOM 1007 CA VAL A 69 2.221 3.094 -7.772 1.00 0.00 C ATOM 1008 C VAL A 69 2.273 1.571 -7.785 1.00 0.00 C ATOM 1009 O VAL A 69 1.738 0.929 -8.689 1.00 0.00 O ATOM 1010 CB VAL A 69 1.550 3.562 -6.467 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.764 5.054 -6.262 1.00 0.00 C ATOM 1012 CG2 VAL A 69 0.067 3.225 -6.479 1.00 0.00 C ATOM 0 H VAL A 69 0.512 3.447 -8.933 1.00 0.00 H new ATOM 0 HA VAL A 69 3.236 3.490 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 69 2.012 3.034 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.283 5.367 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.832 5.264 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.330 5.602 -7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.390 3.563 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.413 3.723 -7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.060 2.147 -6.575 1.00 0.00 H new ATOM 1022 N ILE A 70 2.922 0.998 -6.777 1.00 0.00 N ATOM 1023 CA ILE A 70 3.044 -0.451 -6.672 1.00 0.00 C ATOM 1024 C ILE A 70 1.717 -1.137 -6.979 1.00 0.00 C ATOM 1025 O ILE A 70 0.648 -0.599 -6.692 1.00 0.00 O ATOM 1026 CB ILE A 70 3.517 -0.876 -5.270 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.554 0.114 -4.735 1.00 0.00 C ATOM 1028 CG2 ILE A 70 4.092 -2.284 -5.309 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.603 0.499 -5.755 1.00 0.00 C ATOM 0 H ILE A 70 3.371 1.515 -6.021 1.00 0.00 H new ATOM 0 HA ILE A 70 3.788 -0.760 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 70 2.659 -0.873 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.043 1.014 -4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.046 -0.322 -3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.422 -2.570 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.326 -2.980 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.940 -2.312 -5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.305 1.203 -5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.140 -0.393 -6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.121 0.965 -6.615 1.00 0.00 H new ATOM 1041 N GLN A 71 1.795 -2.329 -7.561 1.00 0.00 N ATOM 1042 CA GLN A 71 0.599 -3.090 -7.906 1.00 0.00 C ATOM 1043 C GLN A 71 -0.085 -3.626 -6.652 1.00 0.00 C ATOM 1044 O GLN A 71 -1.232 -4.068 -6.700 1.00 0.00 O ATOM 1045 CB GLN A 71 0.957 -4.247 -8.840 1.00 0.00 C ATOM 1046 CG GLN A 71 0.921 -3.872 -10.313 1.00 0.00 C ATOM 1047 CD GLN A 71 1.151 -5.062 -11.223 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.292 -5.441 -11.492 1.00 0.00 O ATOM 1049 NE2 GLN A 71 0.067 -5.660 -11.704 1.00 0.00 N ATOM 0 H GLN A 71 2.673 -2.789 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.093 -2.420 -8.417 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.954 -4.610 -8.590 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.265 -5.071 -8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.044 -3.422 -10.546 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.681 -3.116 -10.510 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.859 -5.313 -11.455 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.161 -6.466 -12.322 1.00 0.00 H new ATOM 1058 N ALA A 72 0.628 -3.584 -5.531 1.00 0.00 N ATOM 1059 CA ALA A 72 0.089 -4.064 -4.265 1.00 0.00 C ATOM 1060 C ALA A 72 -0.491 -2.917 -3.445 1.00 0.00 C ATOM 1061 O ALA A 72 -1.114 -3.136 -2.405 1.00 0.00 O ATOM 1062 CB ALA A 72 1.168 -4.788 -3.473 1.00 0.00 C ATOM 0 H ALA A 72 1.580 -3.222 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.718 -4.764 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.752 -5.141 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.534 -5.638 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.993 -4.104 -3.272 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.283 -1.693 -3.919 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.786 -0.510 -3.229 1.00 0.00 C ATOM 1070 C LEU A 73 -2.025 0.042 -3.927 1.00 0.00 C ATOM 1071 O LEU A 73 -3.004 0.409 -3.277 1.00 0.00 O ATOM 1072 CB LEU A 73 0.299 0.567 -3.165 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.193 2.008 -3.031 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -0.988 2.184 -1.746 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.979 2.978 -3.072 1.00 0.00 C ATOM 0 H LEU A 73 0.230 -1.494 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.062 -0.801 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.952 0.347 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.908 0.495 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.850 2.227 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.330 3.216 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.849 1.516 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.355 1.946 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.610 3.999 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.661 2.759 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.507 2.871 -4.020 1.00 0.00 H new ATOM 1087 N ASP A 74 -1.976 0.095 -5.253 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.096 0.599 -6.040 1.00 0.00 C ATOM 1089 C ASP A 74 -4.234 -0.417 -6.078 1.00 0.00 C ATOM 1090 O ASP A 74 -5.405 -0.050 -6.174 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.641 0.927 -7.463 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.472 2.024 -8.098 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -4.492 1.698 -8.741 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -3.103 3.208 -7.954 1.00 0.00 O ATOM 0 H ASP A 74 -1.173 -0.205 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.461 1.510 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.595 1.232 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.701 0.028 -8.077 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.881 -1.696 -6.004 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.872 -2.766 -6.031 1.00 0.00 C ATOM 1101 C LEU A 75 -5.499 -2.962 -4.654 1.00 0.00 C ATOM 1102 O LEU A 75 -6.443 -3.735 -4.496 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.229 -4.071 -6.502 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.903 -4.159 -7.994 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.298 -2.853 -8.485 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.961 -5.322 -8.266 1.00 0.00 C ATOM 0 H LEU A 75 -2.916 -2.017 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.658 -2.483 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.308 -4.222 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.897 -4.894 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.830 -4.334 -8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.072 -2.934 -9.548 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.007 -2.041 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.380 -2.647 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.740 -5.369 -9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.035 -5.178 -7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.432 -6.253 -7.951 1.00 0.00 H new ATOM 1118 N SER A 76 -4.968 -2.255 -3.662 1.00 0.00 N ATOM 1119 CA SER A 76 -5.474 -2.353 -2.298 1.00 0.00 C ATOM 1120 C SER A 76 -6.206 -1.076 -1.897 1.00 0.00 C ATOM 1121 O SER A 76 -7.152 -1.109 -1.110 1.00 0.00 O ATOM 1122 CB SER A 76 -4.327 -2.624 -1.323 1.00 0.00 C ATOM 1123 OG SER A 76 -3.634 -1.430 -1.005 1.00 0.00 O ATOM 0 H SER A 76 -4.188 -1.608 -3.777 1.00 0.00 H new ATOM 0 HA SER A 76 -6.179 -3.183 -2.258 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.720 -3.074 -0.411 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.636 -3.344 -1.761 1.00 0.00 H new ATOM 0 HG SER A 76 -3.483 -0.912 -1.823 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.759 0.051 -2.444 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.371 1.340 -2.145 1.00 0.00 C ATOM 1131 C VAL A 77 -7.884 1.284 -2.318 1.00 0.00 C ATOM 1132 O VAL A 77 -8.651 1.604 -1.409 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.803 2.453 -3.046 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.829 3.559 -3.241 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.514 3.008 -2.459 1.00 0.00 C ATOM 0 H VAL A 77 -4.976 0.097 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.136 1.568 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.576 2.025 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.409 4.336 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.723 3.147 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.091 3.987 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.127 3.793 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.713 3.421 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.778 2.209 -2.377 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.328 0.868 -3.514 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.754 0.759 -3.835 1.00 0.00 C ATOM 1147 C PRO A 78 -10.434 -0.377 -3.078 1.00 0.00 C ATOM 1148 O PRO A 78 -11.618 -0.648 -3.278 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.758 0.477 -5.340 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.438 -0.157 -5.610 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.471 0.472 -4.644 1.00 0.00 C ATOM 0 HA PRO A 78 -10.305 1.657 -3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.579 -0.185 -5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.881 1.395 -5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.487 -1.236 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.127 0.014 -6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.697 -0.231 -4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.964 1.331 -5.084 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.677 -1.037 -2.208 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.207 -2.145 -1.420 1.00 0.00 C ATOM 1161 C LEU A 79 -10.259 -1.783 0.061 1.00 0.00 C ATOM 1162 O LEU A 79 -10.372 -2.657 0.919 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.350 -3.396 -1.621 1.00 0.00 C ATOM 1164 CG LEU A 79 -9.009 -3.750 -3.069 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.223 -5.050 -3.130 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.276 -3.852 -3.906 1.00 0.00 C ATOM 0 H LEU A 79 -8.695 -0.825 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.222 -2.349 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.418 -3.266 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.869 -4.243 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.388 -2.954 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.989 -5.286 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.297 -4.942 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.818 -5.856 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.014 -4.105 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.922 -4.628 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.801 -2.897 -3.890 1.00 0.00 H new ATOM 1178 N MET A 80 -10.178 -0.489 0.352 1.00 0.00 N ATOM 1179 CA MET A 80 -10.219 -0.012 1.729 1.00 0.00 C ATOM 1180 C MET A 80 -10.926 1.338 1.816 1.00 0.00 C ATOM 1181 O MET A 80 -10.843 2.152 0.897 1.00 0.00 O ATOM 1182 CB MET A 80 -8.802 0.104 2.294 1.00 0.00 C ATOM 1183 CG MET A 80 -7.829 0.801 1.357 1.00 0.00 C ATOM 1184 SD MET A 80 -6.106 0.500 1.795 1.00 0.00 S ATOM 1185 CE MET A 80 -6.066 1.136 3.469 1.00 0.00 C ATOM 0 H MET A 80 -10.084 0.248 -0.347 1.00 0.00 H new ATOM 0 HA MET A 80 -10.780 -0.735 2.321 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.839 0.649 3.237 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.426 -0.894 2.518 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.005 0.460 0.337 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.022 1.874 1.372 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.044 1.102 3.847 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.421 2.166 3.475 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.708 0.527 4.105 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.620 1.567 2.925 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.340 2.818 3.132 1.00 0.00 C ATOM 1197 C ASP A 81 -11.390 3.924 3.578 1.00 0.00 C ATOM 1198 O ASP A 81 -10.297 3.655 4.077 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.447 2.628 4.171 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.456 1.576 3.756 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -15.129 1.772 2.722 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.572 0.554 4.465 1.00 0.00 O ATOM 0 H ASP A 81 -11.699 0.903 3.695 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.790 3.112 2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.002 2.344 5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.960 3.577 4.329 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.813 5.171 3.394 1.00 0.00 N ATOM 1208 CA VAL A 82 -11.001 6.319 3.778 1.00 0.00 C ATOM 1209 C VAL A 82 -10.904 6.441 5.294 1.00 0.00 C ATOM 1210 O VAL A 82 -11.914 6.585 5.982 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.572 7.629 3.203 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -13.086 7.658 3.347 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.940 8.831 3.888 1.00 0.00 C ATOM 0 H VAL A 82 -12.714 5.412 2.981 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.006 6.154 3.366 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.330 7.677 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.473 8.590 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.519 6.816 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.353 7.588 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.355 9.748 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.150 8.793 4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.862 8.815 3.729 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.680 6.384 5.810 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.473 6.490 7.243 1.00 0.00 C ATOM 1225 C GLY A 83 -9.153 5.154 7.883 1.00 0.00 C ATOM 1226 O GLY A 83 -8.905 5.080 9.086 1.00 0.00 O ATOM 0 H GLY A 83 -8.828 6.266 5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.659 7.187 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.367 6.906 7.706 1.00 0.00 H new ATOM 1230 N GLU A 84 -9.160 4.097 7.078 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.871 2.757 7.575 1.00 0.00 C ATOM 1232 C GLU A 84 -7.463 2.322 7.180 1.00 0.00 C ATOM 1233 O GLU A 84 -7.106 2.326 6.001 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.896 1.756 7.036 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.409 0.317 7.055 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.461 -0.660 6.567 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.625 -0.547 7.003 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -10.118 -1.539 5.747 1.00 0.00 O ATOM 0 H GLU A 84 -9.362 4.142 6.079 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.934 2.780 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.809 1.830 7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.155 2.030 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.520 0.230 6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.113 0.050 8.070 1.00 0.00 H new ATOM 1245 N THR A 85 -6.664 1.947 8.174 1.00 0.00 N ATOM 1246 CA THR A 85 -5.295 1.511 7.932 1.00 0.00 C ATOM 1247 C THR A 85 -5.240 0.022 7.610 1.00 0.00 C ATOM 1248 O THR A 85 -5.670 -0.811 8.407 1.00 0.00 O ATOM 1249 CB THR A 85 -4.392 1.795 9.148 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.432 3.189 9.473 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.957 1.376 8.865 1.00 0.00 C ATOM 0 H THR A 85 -6.942 1.937 9.155 1.00 0.00 H new ATOM 0 HA THR A 85 -4.930 2.078 7.076 1.00 0.00 H new ATOM 0 HB THR A 85 -4.764 1.215 9.993 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.857 3.361 10.248 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.338 1.586 9.737 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.926 0.309 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.578 1.933 8.008 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.710 -0.305 6.436 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.597 -1.694 6.010 1.00 0.00 C ATOM 1261 C ALA A 86 -3.203 -1.991 5.468 1.00 0.00 C ATOM 1262 O ALA A 86 -2.574 -1.135 4.845 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.652 -2.012 4.960 1.00 0.00 C ATOM 0 H ALA A 86 -4.352 0.373 5.763 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.763 -2.329 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.556 -3.053 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.644 -1.849 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.513 -1.363 4.096 1.00 0.00 H new ATOM 1269 N MET A 87 -2.725 -3.207 5.709 1.00 0.00 N ATOM 1270 CA MET A 87 -1.405 -3.616 5.244 1.00 0.00 C ATOM 1271 C MET A 87 -1.515 -4.523 4.023 1.00 0.00 C ATOM 1272 O MET A 87 -2.532 -5.188 3.821 1.00 0.00 O ATOM 1273 CB MET A 87 -0.647 -4.335 6.361 1.00 0.00 C ATOM 1274 CG MET A 87 0.783 -4.694 5.992 1.00 0.00 C ATOM 1275 SD MET A 87 1.802 -5.060 7.434 1.00 0.00 S ATOM 1276 CE MET A 87 2.625 -3.487 7.675 1.00 0.00 C ATOM 0 H MET A 87 -3.232 -3.927 6.224 1.00 0.00 H new ATOM 0 HA MET A 87 -0.854 -2.719 4.960 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.636 -3.701 7.248 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.185 -5.245 6.626 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.777 -5.558 5.328 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.229 -3.869 5.437 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.357 -3.579 8.477 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.130 -3.196 6.754 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.889 -2.728 7.941 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.463 -4.546 3.211 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.442 -5.372 2.010 1.00 0.00 C ATOM 1288 C VAL A 88 0.912 -6.049 1.832 1.00 0.00 C ATOM 1289 O VAL A 88 1.956 -5.396 1.865 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.757 -4.542 0.751 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.087 -3.820 0.906 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.365 -3.554 0.471 1.00 0.00 C ATOM 0 H VAL A 88 0.386 -4.002 3.363 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.212 -6.133 2.137 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.836 -5.219 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.293 -3.239 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.882 -4.550 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.041 -3.153 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.126 -2.976 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.477 -2.880 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.297 -4.097 0.313 1.00 0.00 H new ATOM 1302 N THR A 89 0.890 -7.365 1.643 1.00 0.00 N ATOM 1303 CA THR A 89 2.115 -8.132 1.461 1.00 0.00 C ATOM 1304 C THR A 89 2.065 -8.953 0.177 1.00 0.00 C ATOM 1305 O THR A 89 1.440 -10.012 0.131 1.00 0.00 O ATOM 1306 CB THR A 89 2.368 -9.077 2.651 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.196 -9.855 2.918 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.755 -8.290 3.894 1.00 0.00 C ATOM 0 H THR A 89 0.036 -7.922 1.612 1.00 0.00 H new ATOM 0 HA THR A 89 2.931 -7.413 1.397 1.00 0.00 H new ATOM 0 HB THR A 89 3.192 -9.741 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.926 -10.330 2.104 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.929 -8.978 4.721 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.665 -7.723 3.697 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.949 -7.604 4.156 1.00 0.00 H new ATOM 1316 N ALA A 90 2.727 -8.457 -0.863 1.00 0.00 N ATOM 1317 CA ALA A 90 2.760 -9.146 -2.147 1.00 0.00 C ATOM 1318 C ALA A 90 4.185 -9.532 -2.527 1.00 0.00 C ATOM 1319 O ALA A 90 5.147 -9.084 -1.902 1.00 0.00 O ATOM 1320 CB ALA A 90 2.140 -8.274 -3.229 1.00 0.00 C ATOM 0 H ALA A 90 3.248 -7.580 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 90 2.177 -10.062 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.171 -8.801 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.104 -8.054 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.700 -7.342 -3.311 1.00 0.00 H new ATOM 1326 N ASP A 91 4.314 -10.365 -3.553 1.00 0.00 N ATOM 1327 CA ASP A 91 5.622 -10.811 -4.016 1.00 0.00 C ATOM 1328 C ASP A 91 6.294 -9.736 -4.866 1.00 0.00 C ATOM 1329 O ASP A 91 5.622 -8.955 -5.539 1.00 0.00 O ATOM 1330 CB ASP A 91 5.488 -12.105 -4.821 1.00 0.00 C ATOM 1331 CG ASP A 91 6.731 -12.412 -5.634 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.846 -12.222 -5.107 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.587 -12.843 -6.798 1.00 0.00 O ATOM 0 H ASP A 91 3.528 -10.745 -4.080 1.00 0.00 H new ATOM 0 HA ASP A 91 6.245 -10.999 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.288 -12.933 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.630 -12.027 -5.489 1.00 0.00 H new ATOM 1338 N SER A 92 7.622 -9.703 -4.827 1.00 0.00 N ATOM 1339 CA SER A 92 8.384 -8.721 -5.590 1.00 0.00 C ATOM 1340 C SER A 92 7.772 -8.512 -6.972 1.00 0.00 C ATOM 1341 O SER A 92 7.803 -7.409 -7.518 1.00 0.00 O ATOM 1342 CB SER A 92 9.840 -9.168 -5.726 1.00 0.00 C ATOM 1343 OG SER A 92 10.627 -8.679 -4.654 1.00 0.00 O ATOM 0 H SER A 92 8.192 -10.344 -4.276 1.00 0.00 H new ATOM 0 HA SER A 92 8.351 -7.774 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.889 -10.257 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.246 -8.810 -6.672 1.00 0.00 H new ATOM 0 HG SER A 92 10.042 -8.409 -3.915 1.00 0.00 H new ATOM 1349 N LYS A 93 7.217 -9.581 -7.533 1.00 0.00 N ATOM 1350 CA LYS A 93 6.596 -9.518 -8.851 1.00 0.00 C ATOM 1351 C LYS A 93 5.612 -8.355 -8.934 1.00 0.00 C ATOM 1352 O LYS A 93 5.607 -7.602 -9.908 1.00 0.00 O ATOM 1353 CB LYS A 93 5.877 -10.832 -9.162 1.00 0.00 C ATOM 1354 CG LYS A 93 4.697 -11.111 -8.247 1.00 0.00 C ATOM 1355 CD LYS A 93 4.166 -12.522 -8.436 1.00 0.00 C ATOM 1356 CE LYS A 93 3.386 -12.655 -9.735 1.00 0.00 C ATOM 1357 NZ LYS A 93 4.252 -13.104 -10.859 1.00 0.00 N ATOM 0 H LYS A 93 7.185 -10.502 -7.095 1.00 0.00 H new ATOM 0 HA LYS A 93 7.383 -9.358 -9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.528 -10.810 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.589 -11.654 -9.084 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.999 -10.971 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.902 -10.392 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.997 -13.228 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.523 -12.786 -7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.571 -13.366 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.933 -11.696 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.089 -12.497 -11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.250 -13.041 -10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.023 -14.089 -11.102 1.00 0.00 H new ATOM 1371 N TYR A 94 4.782 -8.214 -7.907 1.00 0.00 N ATOM 1372 CA TYR A 94 3.793 -7.144 -7.864 1.00 0.00 C ATOM 1373 C TYR A 94 4.411 -5.852 -7.338 1.00 0.00 C ATOM 1374 O TYR A 94 3.838 -4.772 -7.485 1.00 0.00 O ATOM 1375 CB TYR A 94 2.608 -7.550 -6.986 1.00 0.00 C ATOM 1376 CG TYR A 94 1.877 -8.776 -7.485 1.00 0.00 C ATOM 1377 CD1 TYR A 94 0.977 -8.691 -8.540 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.086 -10.019 -6.901 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.306 -9.808 -8.998 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.421 -11.142 -7.354 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.532 -11.032 -8.403 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.134 -12.147 -8.856 1.00 0.00 O ATOM 0 H TYR A 94 4.774 -8.828 -7.092 1.00 0.00 H new ATOM 0 HA TYR A 94 3.440 -6.970 -8.880 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.964 -7.737 -5.973 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.907 -6.717 -6.929 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.799 -7.735 -9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.780 -10.109 -6.079 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.392 -9.724 -9.818 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.596 -12.101 -6.889 1.00 0.00 H new ATOM 0 HH TYR A 94 0.140 -12.928 -8.330 1.00 0.00 H new ATOM 1392 N CYS A 95 5.584 -5.971 -6.726 1.00 0.00 N ATOM 1393 CA CYS A 95 6.281 -4.814 -6.177 1.00 0.00 C ATOM 1394 C CYS A 95 7.064 -4.085 -7.265 1.00 0.00 C ATOM 1395 O CYS A 95 6.679 -2.998 -7.697 1.00 0.00 O ATOM 1396 CB CYS A 95 7.226 -5.246 -5.055 1.00 0.00 C ATOM 1397 SG CYS A 95 6.434 -6.231 -3.762 1.00 0.00 S ATOM 0 H CYS A 95 6.072 -6.857 -6.598 1.00 0.00 H new ATOM 0 HA CYS A 95 5.535 -4.131 -5.771 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.045 -5.822 -5.486 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.665 -4.357 -4.602 1.00 0.00 H new ATOM 0 HG CYS A 95 7.339 -6.896 -3.107 1.00 0.00 H new ATOM 1403 N TYR A 96 8.163 -4.689 -7.700 1.00 0.00 N ATOM 1404 CA TYR A 96 9.003 -4.095 -8.734 1.00 0.00 C ATOM 1405 C TYR A 96 9.175 -5.051 -9.911 1.00 0.00 C ATOM 1406 O TYR A 96 9.146 -4.638 -11.070 1.00 0.00 O ATOM 1407 CB TYR A 96 10.371 -3.724 -8.160 1.00 0.00 C ATOM 1408 CG TYR A 96 10.319 -2.597 -7.153 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.657 -2.750 -5.942 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.934 -1.378 -7.414 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.606 -1.723 -5.020 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.890 -0.345 -6.497 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.225 -0.522 -5.302 1.00 0.00 C ATOM 1414 OH TYR A 96 10.178 0.503 -4.386 1.00 0.00 O ATOM 0 H TYR A 96 8.494 -5.589 -7.353 1.00 0.00 H new ATOM 0 HA TYR A 96 8.510 -3.191 -9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.808 -4.603 -7.687 1.00 0.00 H new ATOM 0 HB3 TYR A 96 11.034 -3.440 -8.977 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.173 -3.689 -5.717 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.455 -1.236 -8.349 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.085 -1.859 -4.084 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.374 0.596 -6.715 1.00 0.00 H new ATOM 0 HH TYR A 96 9.293 0.923 -4.410 1.00 0.00 H new ATOM 1424 N GLY A 97 9.355 -6.332 -9.603 1.00 0.00 N ATOM 1425 CA GLY A 97 9.529 -7.327 -10.645 1.00 0.00 C ATOM 1426 C GLY A 97 10.621 -8.325 -10.316 1.00 0.00 C ATOM 1427 O GLY A 97 11.487 -8.076 -9.477 1.00 0.00 O ATOM 0 H GLY A 97 9.383 -6.698 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.589 -7.858 -10.797 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.768 -6.828 -11.584 1.00 0.00 H new ATOM 1431 N PRO A 98 10.588 -9.487 -10.986 1.00 0.00 N ATOM 1432 CA PRO A 98 11.576 -10.550 -10.776 1.00 0.00 C ATOM 1433 C PRO A 98 12.955 -10.172 -11.304 1.00 0.00 C ATOM 1434 O PRO A 98 13.899 -10.957 -11.218 1.00 0.00 O ATOM 1435 CB PRO A 98 11.004 -11.727 -11.570 1.00 0.00 C ATOM 1436 CG PRO A 98 10.153 -11.099 -12.619 1.00 0.00 C ATOM 1437 CD PRO A 98 9.585 -9.852 -12.000 1.00 0.00 C ATOM 0 HA PRO A 98 11.726 -10.764 -9.718 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.798 -12.329 -12.012 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.420 -12.389 -10.931 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.739 -10.862 -13.507 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.358 -11.775 -12.933 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.454 -9.061 -12.738 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.608 -10.035 -11.552 1.00 0.00 H new ATOM 1445 N GLN A 99 13.065 -8.965 -11.850 1.00 0.00 N ATOM 1446 CA GLN A 99 14.330 -8.484 -12.392 1.00 0.00 C ATOM 1447 C GLN A 99 15.071 -7.629 -11.368 1.00 0.00 C ATOM 1448 O GLN A 99 16.301 -7.614 -11.331 1.00 0.00 O ATOM 1449 CB GLN A 99 14.089 -7.677 -13.668 1.00 0.00 C ATOM 1450 CG GLN A 99 13.269 -6.416 -13.445 1.00 0.00 C ATOM 1451 CD GLN A 99 12.668 -5.876 -14.728 1.00 0.00 C ATOM 1452 OE1 GLN A 99 13.387 -5.453 -15.633 1.00 0.00 O ATOM 1453 NE2 GLN A 99 11.343 -5.888 -14.812 1.00 0.00 N ATOM 0 H GLN A 99 12.293 -8.303 -11.929 1.00 0.00 H new ATOM 0 HA GLN A 99 14.947 -9.351 -12.630 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.051 -7.403 -14.102 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.579 -8.308 -14.396 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.470 -6.628 -12.735 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.901 -5.651 -12.994 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.786 -6.248 -14.037 1.00 0.00 H new ATOM 0 HE22 GLN A 99 10.882 -5.537 -15.652 1.00 0.00 H new ATOM 1462 N GLY A 100 14.313 -6.918 -10.538 1.00 0.00 N ATOM 1463 CA GLY A 100 14.916 -6.071 -9.526 1.00 0.00 C ATOM 1464 C GLY A 100 14.706 -4.596 -9.805 1.00 0.00 C ATOM 1465 O GLY A 100 14.149 -4.226 -10.838 1.00 0.00 O ATOM 0 H GLY A 100 13.293 -6.914 -10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.494 -6.317 -8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.985 -6.279 -9.472 1.00 0.00 H new ATOM 1529 N TYR A 105 17.573 0.210 -5.110 1.00 0.00 N ATOM 1530 CA TYR A 105 17.708 -1.124 -5.682 1.00 0.00 C ATOM 1531 C TYR A 105 17.073 -2.173 -4.774 1.00 0.00 C ATOM 1532 O TYR A 105 17.153 -2.079 -3.549 1.00 0.00 O ATOM 1533 CB TYR A 105 19.183 -1.457 -5.910 1.00 0.00 C ATOM 1534 CG TYR A 105 19.433 -2.915 -6.226 1.00 0.00 C ATOM 1535 CD1 TYR A 105 19.229 -3.899 -5.266 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.872 -3.309 -7.484 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.457 -5.231 -5.549 1.00 0.00 C ATOM 1538 CE2 TYR A 105 20.101 -4.639 -7.776 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.892 -5.597 -6.806 1.00 0.00 C ATOM 1540 OH TYR A 105 20.120 -6.923 -7.093 1.00 0.00 O ATOM 0 HA TYR A 105 17.187 -1.135 -6.640 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.562 -0.846 -6.729 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.750 -1.184 -5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.886 -3.617 -4.281 1.00 0.00 H new ATOM 0 HD2 TYR A 105 20.037 -2.562 -8.247 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.296 -5.982 -4.790 1.00 0.00 H new ATOM 0 HE2 TYR A 105 20.442 -4.928 -8.759 1.00 0.00 H new ATOM 0 HH TYR A 105 20.421 -7.010 -8.022 1.00 0.00 H new ATOM 1550 N ILE A 106 16.442 -3.170 -5.384 1.00 0.00 N ATOM 1551 CA ILE A 106 15.794 -4.238 -4.631 1.00 0.00 C ATOM 1552 C ILE A 106 16.057 -5.597 -5.270 1.00 0.00 C ATOM 1553 O ILE A 106 16.077 -5.744 -6.492 1.00 0.00 O ATOM 1554 CB ILE A 106 14.274 -4.014 -4.533 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.590 -4.423 -5.839 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.972 -2.560 -4.204 1.00 0.00 C ATOM 1557 CD1 ILE A 106 13.162 -5.874 -5.869 1.00 0.00 C ATOM 0 H ILE A 106 16.365 -3.261 -6.397 1.00 0.00 H new ATOM 0 HA ILE A 106 16.220 -4.222 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 106 13.882 -4.637 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.715 -3.791 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.270 -4.236 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.893 -2.418 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.431 -2.300 -3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.375 -1.918 -4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.685 -6.093 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.036 -6.514 -5.745 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.457 -6.062 -5.059 1.00 0.00 H new ATOM 1569 N PRO A 107 16.261 -6.618 -4.424 1.00 0.00 N ATOM 1570 CA PRO A 107 16.523 -7.986 -4.883 1.00 0.00 C ATOM 1571 C PRO A 107 15.296 -8.629 -5.518 1.00 0.00 C ATOM 1572 O PRO A 107 14.156 -8.360 -5.137 1.00 0.00 O ATOM 1573 CB PRO A 107 16.909 -8.723 -3.598 1.00 0.00 C ATOM 1574 CG PRO A 107 16.250 -7.952 -2.506 1.00 0.00 C ATOM 1575 CD PRO A 107 16.251 -6.517 -2.955 1.00 0.00 C ATOM 0 HA PRO A 107 17.291 -8.017 -5.656 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.565 -9.757 -3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.991 -8.750 -3.467 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.234 -8.307 -2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.790 -8.067 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.372 -5.983 -2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.124 -5.980 -2.583 1.00 0.00 H new ATOM 1583 N PRO A 108 15.530 -9.501 -6.511 1.00 0.00 N ATOM 1584 CA PRO A 108 14.456 -10.202 -7.219 1.00 0.00 C ATOM 1585 C PRO A 108 13.762 -11.238 -6.342 1.00 0.00 C ATOM 1586 O PRO A 108 14.367 -11.797 -5.426 1.00 0.00 O ATOM 1587 CB PRO A 108 15.183 -10.885 -8.380 1.00 0.00 C ATOM 1588 CG PRO A 108 16.584 -11.052 -7.903 1.00 0.00 C ATOM 1589 CD PRO A 108 16.863 -9.870 -7.017 1.00 0.00 C ATOM 0 HA PRO A 108 13.665 -9.522 -7.534 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.729 -11.846 -8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 108 15.142 -10.278 -9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.701 -11.987 -7.355 1.00 0.00 H new ATOM 0 HG3 PRO A 108 17.280 -11.085 -8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.544 -10.128 -6.206 1.00 0.00 H new ATOM 0 HD3 PRO A 108 17.323 -9.052 -7.571 1.00 0.00 H new ATOM 1597 N HIS A 109 12.488 -11.490 -6.626 1.00 0.00 N ATOM 1598 CA HIS A 109 11.712 -12.461 -5.862 1.00 0.00 C ATOM 1599 C HIS A 109 11.856 -12.213 -4.364 1.00 0.00 C ATOM 1600 O HIS A 109 11.910 -13.154 -3.572 1.00 0.00 O ATOM 1601 CB HIS A 109 12.159 -13.883 -6.202 1.00 0.00 C ATOM 1602 CG HIS A 109 12.015 -14.226 -7.652 1.00 0.00 C ATOM 1603 ND1 HIS A 109 12.893 -14.778 -8.523 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 10.857 -14.004 -8.367 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.256 -14.878 -9.735 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.028 -14.405 -9.614 1.00 0.00 N flip ATOM 0 H HIS A 109 11.971 -11.036 -7.379 1.00 0.00 H new ATOM 0 HA HIS A 109 10.662 -12.344 -6.132 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.202 -14.007 -5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.576 -14.589 -5.611 1.00 0.00 H new ATOM 0 HD1 HIS A 109 13.850 -15.066 -8.317 1.00 0.00 H new ATOM 0 HD2 HIS A 109 9.951 -13.570 -7.969 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.688 -15.278 -10.640 1.00 0.00 H new ATOM 1615 N ALA A 110 11.918 -10.942 -3.982 1.00 0.00 N ATOM 1616 CA ALA A 110 12.054 -10.571 -2.579 1.00 0.00 C ATOM 1617 C ALA A 110 10.839 -9.786 -2.098 1.00 0.00 C ATOM 1618 O ALA A 110 10.792 -8.562 -2.216 1.00 0.00 O ATOM 1619 CB ALA A 110 13.325 -9.762 -2.369 1.00 0.00 C ATOM 0 H ALA A 110 11.876 -10.151 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 110 12.117 -11.487 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.414 -9.491 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.189 -10.358 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.284 -8.856 -2.974 1.00 0.00 H new ATOM 1625 N ALA A 111 9.857 -10.499 -1.556 1.00 0.00 N ATOM 1626 CA ALA A 111 8.641 -9.868 -1.056 1.00 0.00 C ATOM 1627 C ALA A 111 8.962 -8.590 -0.289 1.00 0.00 C ATOM 1628 O ALA A 111 10.098 -8.378 0.138 1.00 0.00 O ATOM 1629 CB ALA A 111 7.869 -10.837 -0.172 1.00 0.00 C ATOM 0 H ALA A 111 9.879 -11.513 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 111 8.021 -9.601 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.964 -10.353 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.599 -11.721 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.490 -11.132 0.674 1.00 0.00 H new ATOM 1635 N LEU A 112 7.955 -7.740 -0.118 1.00 0.00 N ATOM 1636 CA LEU A 112 8.130 -6.481 0.597 1.00 0.00 C ATOM 1637 C LEU A 112 6.846 -6.079 1.316 1.00 0.00 C ATOM 1638 O LEU A 112 5.764 -6.094 0.728 1.00 0.00 O ATOM 1639 CB LEU A 112 8.553 -5.375 -0.372 1.00 0.00 C ATOM 1640 CG LEU A 112 9.805 -5.654 -1.203 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.735 -4.925 -2.536 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.056 -5.249 -0.437 1.00 0.00 C ATOM 0 H LEU A 112 7.009 -7.900 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 112 8.913 -6.622 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.725 -5.180 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.717 -4.462 0.200 1.00 0.00 H new ATOM 0 HG LEU A 112 9.855 -6.725 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.635 -5.136 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.860 -5.264 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.660 -3.852 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.937 -5.455 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.014 -4.184 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.114 -5.817 0.491 1.00 0.00 H new ATOM 1654 N CYS A 113 6.973 -5.719 2.588 1.00 0.00 N ATOM 1655 CA CYS A 113 5.823 -5.312 3.386 1.00 0.00 C ATOM 1656 C CYS A 113 5.476 -3.848 3.133 1.00 0.00 C ATOM 1657 O CYS A 113 6.341 -2.974 3.197 1.00 0.00 O ATOM 1658 CB CYS A 113 6.104 -5.532 4.873 1.00 0.00 C ATOM 1659 SG CYS A 113 4.623 -5.828 5.868 1.00 0.00 S ATOM 0 H CYS A 113 7.861 -5.701 3.089 1.00 0.00 H new ATOM 0 HA CYS A 113 4.972 -5.925 3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 113 6.778 -6.381 4.983 1.00 0.00 H new ATOM 0 HB3 CYS A 113 6.625 -4.659 5.267 1.00 0.00 H new ATOM 0 HG CYS A 113 4.963 -6.004 7.110 1.00 0.00 H new ATOM 1665 N LEU A 114 4.205 -3.588 2.844 1.00 0.00 N ATOM 1666 CA LEU A 114 3.744 -2.230 2.580 1.00 0.00 C ATOM 1667 C LEU A 114 2.492 -1.912 3.392 1.00 0.00 C ATOM 1668 O LEU A 114 1.496 -2.631 3.320 1.00 0.00 O ATOM 1669 CB LEU A 114 3.457 -2.049 1.088 1.00 0.00 C ATOM 1670 CG LEU A 114 4.440 -2.721 0.129 1.00 0.00 C ATOM 1671 CD1 LEU A 114 3.945 -2.616 -1.305 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.824 -2.102 0.264 1.00 0.00 C ATOM 0 H LEU A 114 3.476 -4.300 2.787 1.00 0.00 H new ATOM 0 HA LEU A 114 4.533 -1.540 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.458 -2.434 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.439 -0.981 0.869 1.00 0.00 H new ATOM 0 HG LEU A 114 4.508 -3.777 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.658 -3.100 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.976 -3.107 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.846 -1.566 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.511 -2.592 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.772 -1.039 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.182 -2.231 1.285 1.00 0.00 H new ATOM 1684 N GLU A 115 2.551 -0.830 4.162 1.00 0.00 N ATOM 1685 CA GLU A 115 1.422 -0.417 4.986 1.00 0.00 C ATOM 1686 C GLU A 115 0.672 0.744 4.339 1.00 0.00 C ATOM 1687 O GLU A 115 1.126 1.887 4.374 1.00 0.00 O ATOM 1688 CB GLU A 115 1.901 -0.014 6.382 1.00 0.00 C ATOM 1689 CG GLU A 115 0.769 0.268 7.356 1.00 0.00 C ATOM 1690 CD GLU A 115 1.204 1.138 8.520 1.00 0.00 C ATOM 1691 OE1 GLU A 115 1.520 2.324 8.289 1.00 0.00 O ATOM 1692 OE2 GLU A 115 1.229 0.632 9.661 1.00 0.00 O ATOM 0 H GLU A 115 3.369 -0.224 4.232 1.00 0.00 H new ATOM 0 HA GLU A 115 0.741 -1.263 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.527 -0.810 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.528 0.874 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.048 0.758 6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.380 -0.676 7.738 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.480 0.440 3.748 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.294 1.457 3.094 1.00 0.00 C ATOM 1701 C VAL A 116 -2.280 2.085 4.072 1.00 0.00 C ATOM 1702 O VAL A 116 -2.919 1.388 4.861 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.073 0.871 1.901 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.740 1.980 1.101 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.151 0.045 1.017 1.00 0.00 C ATOM 0 H VAL A 116 -0.870 -0.502 3.709 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.610 2.224 2.730 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.853 0.215 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.285 1.546 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.433 2.525 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.980 2.665 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.718 -0.361 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.347 0.677 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.726 -0.773 1.599 1.00 0.00 H new ATOM 1715 N THR A 117 -2.401 3.408 4.015 1.00 0.00 N ATOM 1716 CA THR A 117 -3.309 4.131 4.896 1.00 0.00 C ATOM 1717 C THR A 117 -4.012 5.261 4.153 1.00 0.00 C ATOM 1718 O THR A 117 -3.413 6.300 3.872 1.00 0.00 O ATOM 1719 CB THR A 117 -2.566 4.716 6.112 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.877 3.674 6.813 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.535 5.413 7.055 1.00 0.00 C ATOM 0 H THR A 117 -1.881 4.000 3.367 1.00 0.00 H new ATOM 0 HA THR A 117 -4.050 3.412 5.244 1.00 0.00 H new ATOM 0 HB THR A 117 -1.845 5.449 5.751 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.406 4.054 7.584 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.987 5.818 7.906 1.00 0.00 H new ATOM 0 HG22 THR A 117 -4.036 6.224 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.277 4.697 7.409 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.286 5.054 3.838 1.00 0.00 N ATOM 1730 CA LEU A 118 -6.072 6.056 3.128 1.00 0.00 C ATOM 1731 C LEU A 118 -6.377 7.248 4.030 1.00 0.00 C ATOM 1732 O LEU A 118 -7.131 7.132 4.996 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.376 5.442 2.616 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.959 6.066 1.347 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.467 7.472 1.629 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.920 6.085 0.236 1.00 0.00 C ATOM 0 H LEU A 118 -5.797 4.200 4.064 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.486 6.407 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.207 4.381 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.122 5.512 3.407 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.801 5.456 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.878 7.900 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.244 7.432 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.643 8.093 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.352 6.532 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.058 6.671 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.604 5.065 0.016 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.789 8.395 3.706 1.00 0.00 N ATOM 1749 CA LYS A 119 -6.000 9.610 4.484 1.00 0.00 C ATOM 1750 C LYS A 119 -7.141 10.438 3.901 1.00 0.00 C ATOM 1751 O LYS A 119 -8.193 10.589 4.522 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.718 10.444 4.522 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.509 9.678 5.031 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.357 9.812 6.537 1.00 0.00 C ATOM 1755 CE LYS A 119 -4.269 8.845 7.277 1.00 0.00 C ATOM 1756 NZ LYS A 119 -3.857 8.672 8.697 1.00 0.00 N ATOM 0 H LYS A 119 -5.162 8.508 2.909 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.268 9.320 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.506 10.816 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.880 11.315 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.607 8.625 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.609 10.048 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.321 9.623 6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.588 10.834 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.295 9.211 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.257 7.878 6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.503 8.006 9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.887 8.298 8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.893 9.591 9.183 1.00 0.00 H new ATOM 1770 N THR A 120 -6.926 10.971 2.702 1.00 0.00 N ATOM 1771 CA THR A 120 -7.936 11.784 2.035 1.00 0.00 C ATOM 1772 C THR A 120 -7.900 11.575 0.526 1.00 0.00 C ATOM 1773 O THR A 120 -6.837 11.359 -0.056 1.00 0.00 O ATOM 1774 CB THR A 120 -7.743 13.281 2.339 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.369 13.643 2.168 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.185 13.606 3.758 1.00 0.00 C ATOM 0 H THR A 120 -6.062 10.854 2.173 1.00 0.00 H new ATOM 0 HA THR A 120 -8.904 11.465 2.421 1.00 0.00 H new ATOM 0 HB THR A 120 -8.358 13.852 1.643 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.256 14.597 2.362 1.00 0.00 H new ATOM 0 HG21 THR A 120 -8.039 14.669 3.950 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.240 13.357 3.877 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.593 13.025 4.465 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.069 11.641 -0.104 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.170 11.462 -1.547 1.00 0.00 C ATOM 1786 C ALA A 121 -9.893 12.637 -2.197 1.00 0.00 C ATOM 1787 O ALA A 121 -11.060 12.899 -1.905 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.885 10.158 -1.868 1.00 0.00 C ATOM 0 H ALA A 121 -9.959 11.817 0.363 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.160 11.420 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.953 10.037 -2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.327 9.323 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.888 10.178 -1.441 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.192 13.343 -3.079 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.767 14.490 -3.770 1.00 0.00 C ATOM 1796 C VAL A 122 -9.285 14.560 -5.215 1.00 0.00 C ATOM 1797 O VAL A 122 -8.381 13.826 -5.614 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.414 15.810 -3.058 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.930 15.799 -1.627 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -7.912 16.046 -3.090 1.00 0.00 C ATOM 0 H VAL A 122 -8.225 13.140 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.849 14.357 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 122 -9.899 16.630 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.671 16.739 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.013 15.679 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.475 14.971 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.680 16.983 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.404 15.224 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.574 16.100 -4.125 1.00 0.00 H new ATOM 1810 N ASP A 123 -9.894 15.448 -5.993 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.525 15.615 -7.394 1.00 0.00 C ATOM 1812 C ASP A 123 -8.382 16.615 -7.540 1.00 0.00 C ATOM 1813 O ASP A 123 -7.625 16.570 -8.510 1.00 0.00 O ATOM 1814 CB ASP A 123 -10.733 16.081 -8.209 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.651 15.654 -9.662 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -9.524 15.436 -10.154 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.714 15.536 -10.306 1.00 0.00 O ATOM 0 H ASP A 123 -10.645 16.063 -5.678 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.190 14.650 -7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.644 15.678 -7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -10.806 17.167 -8.156 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.264 17.516 -6.571 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.215 18.528 -6.592 1.00 0.00 C ATOM 1824 C ARG A 124 -5.846 17.897 -6.359 1.00 0.00 C ATOM 1825 O ARG A 124 -5.694 16.953 -5.584 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.484 19.595 -5.529 1.00 0.00 C ATOM 1827 CG ARG A 124 -8.710 20.446 -5.817 1.00 0.00 C ATOM 1828 CD ARG A 124 -9.935 19.925 -5.083 1.00 0.00 C ATOM 1829 NE ARG A 124 -11.166 20.167 -5.831 1.00 0.00 N ATOM 1830 CZ ARG A 124 -12.380 20.048 -5.307 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -12.526 19.692 -4.038 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -13.452 20.286 -6.052 1.00 0.00 N ATOM 0 H ARG A 124 -8.882 17.566 -5.761 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.217 18.997 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.609 19.109 -4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -6.612 20.244 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.517 21.477 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.904 20.455 -6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.823 18.855 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.004 20.405 -4.107 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.089 20.443 -6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.704 19.509 -3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -13.460 19.601 -3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.344 20.561 -7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -14.384 20.194 -5.648 1.00 0.00 H new