USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.51) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -98:sc= 0.181 USER MOD Single : A 31 THR OG1 : rot -64:sc= 0.728 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.44) USER MOD Single : A 46 TYR OH : rot 30:sc= 0 USER MOD Single : A 47 CYS SG : rot 76:sc= -1.2 USER MOD Single : A 48 THR OG1 : rot 80:sc= 0.678 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -169:sc= -0.837 (180deg=-1.1) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= -0.0147 (180deg=-0.21) USER MOD Single : A 70 MET CE :methyl 160:sc= -0.48 (180deg=-2.15) USER MOD Single : A 71 GLN : amide:sc= -0.0139 K(o=-0.014,f=-1.5) USER MOD Single : A 72 GLN : amide:sc= -0.755 K(o=-0.76,f=-3.3!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.733 K(o=0.73,f=-0.025) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.55) USER MOD Single : A 90 GLN : amide:sc= -1.7 K(o=-1.7,f=-6!) USER MOD Single : A 94 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 129:sc= -1.4 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 18 2.956 10.542 -6.812 1.00 0.00 N ATOM 127 CA PHE A 18 2.091 9.398 -7.078 1.00 0.00 C ATOM 128 C PHE A 18 2.756 8.431 -8.053 1.00 0.00 C ATOM 129 O PHE A 18 2.552 7.219 -7.978 1.00 0.00 O ATOM 130 CB PHE A 18 0.749 9.867 -7.644 1.00 0.00 C ATOM 131 CG PHE A 18 -0.178 8.740 -8.000 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.837 8.029 -7.010 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.390 8.393 -9.324 1.00 0.00 C ATOM 134 CE1 PHE A 18 -1.690 6.990 -7.336 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.241 7.355 -9.656 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.893 6.654 -8.660 1.00 0.00 C ATOM 0 HA PHE A 18 1.918 8.877 -6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.261 10.511 -6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.930 10.472 -8.532 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.683 8.289 -5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.115 8.940 -10.106 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.197 6.442 -6.556 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.396 7.093 -10.692 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.560 5.845 -8.916 1.00 0.00 H new ATOM 146 N SER A 19 3.552 8.975 -8.968 1.00 0.00 N ATOM 147 CA SER A 19 4.243 8.160 -9.961 1.00 0.00 C ATOM 148 C SER A 19 5.201 7.181 -9.289 1.00 0.00 C ATOM 149 O SER A 19 5.429 6.078 -9.786 1.00 0.00 O ATOM 150 CB SER A 19 5.012 9.053 -10.937 1.00 0.00 C ATOM 151 OG SER A 19 5.527 10.200 -10.283 1.00 0.00 O ATOM 0 H SER A 19 3.734 9.976 -9.042 1.00 0.00 H new ATOM 0 HA SER A 19 3.495 7.590 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.830 8.488 -11.384 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.354 9.359 -11.750 1.00 0.00 H new ATOM 0 HG SER A 19 6.015 10.753 -10.928 1.00 0.00 H new ATOM 157 N ASP A 20 5.758 7.592 -8.156 1.00 0.00 N ATOM 158 CA ASP A 20 6.691 6.752 -7.413 1.00 0.00 C ATOM 159 C ASP A 20 5.957 5.612 -6.716 1.00 0.00 C ATOM 160 O ASP A 20 6.429 4.474 -6.699 1.00 0.00 O ATOM 161 CB ASP A 20 7.457 7.587 -6.385 1.00 0.00 C ATOM 162 CG ASP A 20 8.803 6.984 -6.036 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.743 7.119 -6.847 1.00 0.00 O ATOM 164 OD2 ASP A 20 8.916 6.376 -4.950 1.00 0.00 O ATOM 0 H ASP A 20 5.580 8.502 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 20 7.400 6.325 -8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.604 8.594 -6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.858 7.681 -5.479 1.00 0.00 H new ATOM 169 N VAL A 21 4.801 5.923 -6.139 1.00 0.00 N ATOM 170 CA VAL A 21 4.001 4.924 -5.440 1.00 0.00 C ATOM 171 C VAL A 21 3.709 3.727 -6.337 1.00 0.00 C ATOM 172 O VAL A 21 3.583 2.598 -5.864 1.00 0.00 O ATOM 173 CB VAL A 21 2.670 5.517 -4.944 1.00 0.00 C ATOM 174 CG1 VAL A 21 1.844 4.457 -4.232 1.00 0.00 C ATOM 175 CG2 VAL A 21 2.924 6.708 -4.032 1.00 0.00 C ATOM 0 H VAL A 21 4.397 6.860 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 21 4.586 4.596 -4.581 1.00 0.00 H new ATOM 0 HB VAL A 21 2.104 5.864 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.907 4.896 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.631 3.639 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.401 4.076 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.972 7.115 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.511 6.388 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.471 7.476 -4.580 1.00 0.00 H new ATOM 185 N LYS A 22 3.605 3.981 -7.637 1.00 0.00 N ATOM 186 CA LYS A 22 3.329 2.925 -8.604 1.00 0.00 C ATOM 187 C LYS A 22 4.495 1.945 -8.686 1.00 0.00 C ATOM 188 O LYS A 22 4.300 0.746 -8.893 1.00 0.00 O ATOM 189 CB LYS A 22 3.057 3.527 -9.984 1.00 0.00 C ATOM 190 CG LYS A 22 1.711 4.223 -10.090 1.00 0.00 C ATOM 191 CD LYS A 22 1.347 4.517 -11.535 1.00 0.00 C ATOM 192 CE LYS A 22 1.917 5.850 -11.994 1.00 0.00 C ATOM 193 NZ LYS A 22 3.299 5.708 -12.530 1.00 0.00 N ATOM 0 H LYS A 22 3.708 4.910 -8.046 1.00 0.00 H new ATOM 0 HA LYS A 22 2.444 2.383 -8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.845 4.241 -10.221 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.108 2.736 -10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.940 3.597 -9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.736 5.154 -9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.723 3.719 -12.175 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.262 4.527 -11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.272 6.276 -12.762 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.922 6.550 -11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.489 6.474 -13.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.982 5.761 -11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.393 4.790 -13.010 1.00 0.00 H new ATOM 207 N THR A 23 5.709 2.461 -8.520 1.00 0.00 N ATOM 208 CA THR A 23 6.906 1.631 -8.575 1.00 0.00 C ATOM 209 C THR A 23 7.072 0.819 -7.295 1.00 0.00 C ATOM 210 O THR A 23 7.267 -0.395 -7.340 1.00 0.00 O ATOM 211 CB THR A 23 8.170 2.484 -8.796 1.00 0.00 C ATOM 212 OG1 THR A 23 7.943 3.433 -9.843 1.00 0.00 O ATOM 213 CG2 THR A 23 9.359 1.604 -9.151 1.00 0.00 C ATOM 0 H THR A 23 5.889 3.450 -8.346 1.00 0.00 H new ATOM 0 HA THR A 23 6.782 0.952 -9.419 1.00 0.00 H new ATOM 0 HB THR A 23 8.393 3.013 -7.869 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.750 3.972 -9.976 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.240 2.227 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.547 0.901 -8.339 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.143 1.052 -10.066 1.00 0.00 H new ATOM 221 N LEU A 24 6.991 1.498 -6.156 1.00 0.00 N ATOM 222 CA LEU A 24 7.131 0.838 -4.862 1.00 0.00 C ATOM 223 C LEU A 24 6.143 -0.316 -4.728 1.00 0.00 C ATOM 224 O LEU A 24 6.487 -1.388 -4.227 1.00 0.00 O ATOM 225 CB LEU A 24 6.915 1.843 -3.729 1.00 0.00 C ATOM 226 CG LEU A 24 7.284 1.363 -2.326 1.00 0.00 C ATOM 227 CD1 LEU A 24 7.614 2.544 -1.427 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.152 0.537 -1.730 1.00 0.00 C ATOM 0 H LEU A 24 6.829 2.504 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 24 8.142 0.435 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.496 2.739 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.865 2.137 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 24 8.169 0.731 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.874 2.182 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.457 3.095 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.748 3.202 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.432 0.203 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.250 1.146 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.963 -0.330 -2.362 1.00 0.00 H new ATOM 240 N LEU A 25 4.915 -0.092 -5.184 1.00 0.00 N ATOM 241 CA LEU A 25 3.877 -1.114 -5.118 1.00 0.00 C ATOM 242 C LEU A 25 4.172 -2.253 -6.088 1.00 0.00 C ATOM 243 O LEU A 25 4.102 -3.428 -5.725 1.00 0.00 O ATOM 244 CB LEU A 25 2.510 -0.503 -5.431 1.00 0.00 C ATOM 245 CG LEU A 25 1.745 0.078 -4.241 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.586 0.938 -4.719 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.247 -1.037 -3.333 1.00 0.00 C ATOM 0 H LEU A 25 4.614 0.788 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 25 3.864 -1.518 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.648 0.287 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.890 -1.269 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 25 2.425 0.709 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.054 1.342 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.968 1.758 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.096 0.331 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.705 -0.606 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.583 -1.694 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.096 -1.611 -2.962 1.00 0.00 H new ATOM 259 N LYS A 26 4.503 -1.899 -7.325 1.00 0.00 N ATOM 260 CA LYS A 26 4.812 -2.889 -8.349 1.00 0.00 C ATOM 261 C LYS A 26 5.945 -3.804 -7.895 1.00 0.00 C ATOM 262 O LYS A 26 5.974 -4.987 -8.235 1.00 0.00 O ATOM 263 CB LYS A 26 5.194 -2.197 -9.659 1.00 0.00 C ATOM 264 CG LYS A 26 4.013 -1.944 -10.580 1.00 0.00 C ATOM 265 CD LYS A 26 3.827 -3.079 -11.573 1.00 0.00 C ATOM 266 CE LYS A 26 4.841 -3.001 -12.704 1.00 0.00 C ATOM 267 NZ LYS A 26 4.430 -3.824 -13.876 1.00 0.00 N ATOM 0 H LYS A 26 4.564 -0.932 -7.643 1.00 0.00 H new ATOM 0 HA LYS A 26 3.922 -3.496 -8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.676 -1.246 -9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.928 -2.809 -10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.106 -1.826 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.165 -1.009 -11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.927 -4.035 -11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.818 -3.043 -11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.961 -1.963 -13.013 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.812 -3.340 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.147 -3.744 -14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.340 -4.819 -13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.515 -3.484 -14.235 1.00 0.00 H new ATOM 281 N GLU A 27 6.877 -3.248 -7.126 1.00 0.00 N ATOM 282 CA GLU A 27 8.013 -4.016 -6.628 1.00 0.00 C ATOM 283 C GLU A 27 7.575 -4.981 -5.528 1.00 0.00 C ATOM 284 O GLU A 27 7.975 -6.145 -5.516 1.00 0.00 O ATOM 285 CB GLU A 27 9.096 -3.077 -6.095 1.00 0.00 C ATOM 286 CG GLU A 27 9.889 -2.380 -7.188 1.00 0.00 C ATOM 287 CD GLU A 27 10.883 -3.301 -7.867 1.00 0.00 C ATOM 288 OE1 GLU A 27 11.594 -4.037 -7.151 1.00 0.00 O ATOM 289 OE2 GLU A 27 10.951 -3.288 -9.113 1.00 0.00 O ATOM 0 H GLU A 27 6.868 -2.270 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 27 8.420 -4.596 -7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.631 -2.324 -5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.782 -3.646 -5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.200 -1.982 -7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.421 -1.530 -6.760 1.00 0.00 H new ATOM 296 N TRP A 28 6.754 -4.487 -4.608 1.00 0.00 N ATOM 297 CA TRP A 28 6.264 -5.305 -3.505 1.00 0.00 C ATOM 298 C TRP A 28 5.358 -6.421 -4.014 1.00 0.00 C ATOM 299 O TRP A 28 5.130 -7.413 -3.321 1.00 0.00 O ATOM 300 CB TRP A 28 5.507 -4.438 -2.498 1.00 0.00 C ATOM 301 CG TRP A 28 4.948 -5.216 -1.346 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.614 -6.119 -0.566 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.608 -5.161 -0.843 1.00 0.00 C ATOM 304 NE1 TRP A 28 4.768 -6.630 0.389 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.532 -6.057 0.242 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.466 -4.441 -1.202 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.359 -6.251 0.966 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.302 -4.634 -0.482 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.257 -5.533 0.592 1.00 0.00 C ATOM 0 H TRP A 28 6.414 -3.525 -4.604 1.00 0.00 H new ATOM 0 HA TRP A 28 7.124 -5.757 -3.012 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.177 -3.668 -2.116 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.693 -3.926 -3.010 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.653 -6.391 -0.683 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.020 -7.324 1.093 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.492 -3.746 -2.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.321 -6.944 1.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.413 -4.083 -0.751 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.333 -5.661 1.136 1.00 0.00 H new ATOM 320 N ILE A 29 4.847 -6.254 -5.229 1.00 0.00 N ATOM 321 CA ILE A 29 3.968 -7.248 -5.832 1.00 0.00 C ATOM 322 C ILE A 29 4.747 -8.192 -6.742 1.00 0.00 C ATOM 323 O ILE A 29 4.363 -9.346 -6.936 1.00 0.00 O ATOM 324 CB ILE A 29 2.840 -6.585 -6.643 1.00 0.00 C ATOM 325 CG1 ILE A 29 2.012 -5.662 -5.747 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.955 -7.645 -7.283 1.00 0.00 C ATOM 327 CD1 ILE A 29 1.215 -4.630 -6.515 1.00 0.00 C ATOM 0 H ILE A 29 5.027 -5.439 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 29 3.528 -7.818 -5.013 1.00 0.00 H new ATOM 0 HB ILE A 29 3.287 -5.985 -7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.329 -6.266 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.678 -5.151 -5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.162 -7.161 -7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.554 -8.265 -7.949 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.514 -8.269 -6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.652 -4.011 -5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.894 -4.001 -7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.524 -5.133 -7.191 1.00 0.00 H new ATOM 339 N THR A 30 5.848 -7.694 -7.298 1.00 0.00 N ATOM 340 CA THR A 30 6.683 -8.491 -8.188 1.00 0.00 C ATOM 341 C THR A 30 7.752 -9.246 -7.408 1.00 0.00 C ATOM 342 O THR A 30 7.774 -10.478 -7.396 1.00 0.00 O ATOM 343 CB THR A 30 7.364 -7.614 -9.254 1.00 0.00 C ATOM 344 OG1 THR A 30 8.067 -6.535 -8.627 1.00 0.00 O ATOM 345 CG2 THR A 30 6.340 -7.057 -10.233 1.00 0.00 C ATOM 0 H THR A 30 6.182 -6.742 -7.147 1.00 0.00 H new ATOM 0 HA THR A 30 6.026 -9.206 -8.683 1.00 0.00 H new ATOM 0 HB THR A 30 8.070 -8.235 -9.805 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.515 -5.726 -8.654 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.845 -6.441 -10.977 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.828 -7.880 -10.731 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.613 -6.451 -9.693 1.00 0.00 H new ATOM 353 N THR A 31 8.640 -8.501 -6.756 1.00 0.00 N ATOM 354 CA THR A 31 9.713 -9.100 -5.973 1.00 0.00 C ATOM 355 C THR A 31 9.165 -10.104 -4.965 1.00 0.00 C ATOM 356 O THR A 31 9.671 -11.220 -4.849 1.00 0.00 O ATOM 357 CB THR A 31 10.527 -8.029 -5.223 1.00 0.00 C ATOM 358 OG1 THR A 31 9.745 -7.476 -4.158 1.00 0.00 O ATOM 359 CG2 THR A 31 10.961 -6.919 -6.168 1.00 0.00 C ATOM 0 H THR A 31 8.637 -7.481 -6.755 1.00 0.00 H new ATOM 0 HA THR A 31 10.366 -9.616 -6.676 1.00 0.00 H new ATOM 0 HB THR A 31 11.418 -8.504 -4.811 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.966 -7.013 -4.531 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.534 -6.174 -5.616 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.580 -7.338 -6.962 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.080 -6.448 -6.605 1.00 0.00 H new ATOM 367 N ILE A 32 8.127 -9.700 -4.240 1.00 0.00 N ATOM 368 CA ILE A 32 7.509 -10.565 -3.243 1.00 0.00 C ATOM 369 C ILE A 32 6.322 -11.320 -3.831 1.00 0.00 C ATOM 370 O ILE A 32 5.571 -10.781 -4.644 1.00 0.00 O ATOM 371 CB ILE A 32 7.037 -9.764 -2.017 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.139 -8.811 -1.548 1.00 0.00 C ATOM 373 CG2 ILE A 32 6.630 -10.705 -0.893 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.434 -9.510 -1.201 1.00 0.00 C ATOM 0 H ILE A 32 7.697 -8.779 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 32 8.271 -11.278 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 32 6.167 -9.172 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.330 -8.076 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.786 -8.262 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.299 -10.123 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.817 -11.346 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.483 -11.321 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.169 -8.774 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.258 -10.225 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.810 -10.036 -2.078 1.00 0.00 H new ATOM 386 N SER A 33 6.158 -12.572 -3.414 1.00 0.00 N ATOM 387 CA SER A 33 5.062 -13.402 -3.901 1.00 0.00 C ATOM 388 C SER A 33 4.085 -13.726 -2.776 1.00 0.00 C ATOM 389 O SER A 33 2.869 -13.674 -2.960 1.00 0.00 O ATOM 390 CB SER A 33 5.607 -14.697 -4.508 1.00 0.00 C ATOM 391 OG SER A 33 6.755 -14.446 -5.299 1.00 0.00 O ATOM 0 H SER A 33 6.770 -13.033 -2.741 1.00 0.00 H new ATOM 0 HA SER A 33 4.530 -12.844 -4.671 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.856 -15.399 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.837 -15.168 -5.119 1.00 0.00 H new ATOM 0 HG SER A 33 7.085 -15.289 -5.674 1.00 0.00 H new ATOM 397 N ASP A 34 4.626 -14.061 -1.609 1.00 0.00 N ATOM 398 CA ASP A 34 3.802 -14.393 -0.452 1.00 0.00 C ATOM 399 C ASP A 34 4.260 -13.618 0.780 1.00 0.00 C ATOM 400 O ASP A 34 4.870 -14.166 1.697 1.00 0.00 O ATOM 401 CB ASP A 34 3.859 -15.896 -0.174 1.00 0.00 C ATOM 402 CG ASP A 34 5.255 -16.464 -0.339 1.00 0.00 C ATOM 403 OD1 ASP A 34 5.617 -16.828 -1.477 1.00 0.00 O ATOM 404 OD2 ASP A 34 5.985 -16.543 0.671 1.00 0.00 O ATOM 0 H ASP A 34 5.631 -14.110 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 34 2.773 -14.111 -0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.510 -16.088 0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.177 -16.413 -0.849 1.00 0.00 H new ATOM 409 N PRO A 35 3.959 -12.312 0.803 1.00 0.00 N ATOM 410 CA PRO A 35 4.330 -11.432 1.917 1.00 0.00 C ATOM 411 C PRO A 35 3.538 -11.737 3.183 1.00 0.00 C ATOM 412 O PRO A 35 2.479 -12.360 3.130 1.00 0.00 O ATOM 413 CB PRO A 35 3.987 -10.034 1.394 1.00 0.00 C ATOM 414 CG PRO A 35 2.925 -10.261 0.375 1.00 0.00 C ATOM 415 CD PRO A 35 3.233 -11.591 -0.256 1.00 0.00 C ATOM 0 HA PRO A 35 5.376 -11.551 2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.634 -9.387 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.860 -9.550 0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.937 -10.267 0.836 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.924 -9.466 -0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.324 -12.117 -0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.840 -11.478 -1.154 1.00 0.00 H new ATOM 423 N MET A 36 4.059 -11.293 4.323 1.00 0.00 N ATOM 424 CA MET A 36 3.399 -11.516 5.603 1.00 0.00 C ATOM 425 C MET A 36 2.657 -10.264 6.059 1.00 0.00 C ATOM 426 O MET A 36 2.654 -9.247 5.365 1.00 0.00 O ATOM 427 CB MET A 36 4.422 -11.931 6.663 1.00 0.00 C ATOM 428 CG MET A 36 4.790 -13.404 6.608 1.00 0.00 C ATOM 429 SD MET A 36 3.440 -14.477 7.137 1.00 0.00 S ATOM 430 CE MET A 36 3.854 -15.992 6.275 1.00 0.00 C ATOM 0 H MET A 36 4.936 -10.777 4.385 1.00 0.00 H new ATOM 0 HA MET A 36 2.674 -12.319 5.474 1.00 0.00 H new ATOM 0 HB2 MET A 36 5.325 -11.334 6.537 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.023 -11.701 7.651 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.079 -13.665 5.590 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.659 -13.581 7.241 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.109 -16.755 6.502 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.868 -15.807 5.201 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.837 -16.337 6.597 1.00 0.00 H new ATOM 440 N GLU A 37 2.030 -10.345 7.228 1.00 0.00 N ATOM 441 CA GLU A 37 1.284 -9.217 7.774 1.00 0.00 C ATOM 442 C GLU A 37 2.210 -8.037 8.055 1.00 0.00 C ATOM 443 O GLU A 37 1.785 -6.883 8.033 1.00 0.00 O ATOM 444 CB GLU A 37 0.561 -9.629 9.058 1.00 0.00 C ATOM 445 CG GLU A 37 1.499 -10.066 10.171 1.00 0.00 C ATOM 446 CD GLU A 37 0.760 -10.457 11.436 1.00 0.00 C ATOM 447 OE1 GLU A 37 -0.484 -10.562 11.388 1.00 0.00 O ATOM 448 OE2 GLU A 37 1.424 -10.657 12.474 1.00 0.00 O ATOM 0 H GLU A 37 2.024 -11.179 7.815 1.00 0.00 H new ATOM 0 HA GLU A 37 0.546 -8.909 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.042 -8.792 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.126 -10.444 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.096 -10.911 9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.193 -9.256 10.396 1.00 0.00 H new ATOM 455 N GLU A 38 3.478 -8.337 8.319 1.00 0.00 N ATOM 456 CA GLU A 38 4.464 -7.301 8.606 1.00 0.00 C ATOM 457 C GLU A 38 4.598 -6.339 7.430 1.00 0.00 C ATOM 458 O GLU A 38 4.645 -5.121 7.612 1.00 0.00 O ATOM 459 CB GLU A 38 5.821 -7.932 8.923 1.00 0.00 C ATOM 460 CG GLU A 38 6.321 -8.874 7.840 1.00 0.00 C ATOM 461 CD GLU A 38 7.579 -9.616 8.249 1.00 0.00 C ATOM 462 OE1 GLU A 38 8.606 -8.952 8.500 1.00 0.00 O ATOM 463 OE2 GLU A 38 7.536 -10.863 8.318 1.00 0.00 O ATOM 0 H GLU A 38 3.846 -9.288 8.340 1.00 0.00 H new ATOM 0 HA GLU A 38 4.122 -6.739 9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.555 -7.140 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.748 -8.479 9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.539 -9.595 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.518 -8.305 6.931 1.00 0.00 H new ATOM 470 N ASP A 39 4.662 -6.892 6.224 1.00 0.00 N ATOM 471 CA ASP A 39 4.791 -6.084 5.017 1.00 0.00 C ATOM 472 C ASP A 39 3.447 -5.481 4.620 1.00 0.00 C ATOM 473 O ASP A 39 3.386 -4.373 4.086 1.00 0.00 O ATOM 474 CB ASP A 39 5.344 -6.929 3.869 1.00 0.00 C ATOM 475 CG ASP A 39 6.206 -6.121 2.919 1.00 0.00 C ATOM 476 OD1 ASP A 39 5.856 -4.954 2.646 1.00 0.00 O ATOM 477 OD2 ASP A 39 7.232 -6.657 2.448 1.00 0.00 O ATOM 0 H ASP A 39 4.627 -7.897 6.056 1.00 0.00 H new ATOM 0 HA ASP A 39 5.486 -5.271 5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.931 -7.752 4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.516 -7.372 3.316 1.00 0.00 H new ATOM 482 N ILE A 40 2.373 -6.217 4.884 1.00 0.00 N ATOM 483 CA ILE A 40 1.030 -5.755 4.553 1.00 0.00 C ATOM 484 C ILE A 40 0.620 -4.583 5.438 1.00 0.00 C ATOM 485 O ILE A 40 -0.137 -3.708 5.016 1.00 0.00 O ATOM 486 CB ILE A 40 -0.006 -6.884 4.703 1.00 0.00 C ATOM 487 CG1 ILE A 40 0.341 -8.051 3.777 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.404 -6.362 4.406 1.00 0.00 C ATOM 489 CD1 ILE A 40 -0.115 -9.395 4.300 1.00 0.00 C ATOM 0 H ILE A 40 2.406 -7.136 5.326 1.00 0.00 H new ATOM 0 HA ILE A 40 1.054 -5.431 3.512 1.00 0.00 H new ATOM 0 HB ILE A 40 0.016 -7.243 5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.113 -7.877 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.420 -8.076 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.126 -7.171 4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.649 -5.560 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.441 -5.980 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.165 -10.175 3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.359 -9.591 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.198 -9.389 4.424 1.00 0.00 H new ATOM 501 N LEU A 41 1.124 -4.571 6.667 1.00 0.00 N ATOM 502 CA LEU A 41 0.812 -3.505 7.612 1.00 0.00 C ATOM 503 C LEU A 41 1.592 -2.237 7.281 1.00 0.00 C ATOM 504 O LEU A 41 1.136 -1.127 7.553 1.00 0.00 O ATOM 505 CB LEU A 41 1.129 -3.953 9.040 1.00 0.00 C ATOM 506 CG LEU A 41 0.139 -4.932 9.672 1.00 0.00 C ATOM 507 CD1 LEU A 41 0.782 -5.663 10.840 1.00 0.00 C ATOM 508 CD2 LEU A 41 -1.118 -4.202 10.124 1.00 0.00 C ATOM 0 H LEU A 41 1.751 -5.288 7.032 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.253 -3.285 7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.117 -4.413 9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.187 -3.067 9.673 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.143 -5.669 8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.062 -6.355 11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.651 -6.218 10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.094 -4.940 11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.811 -4.914 10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.853 -3.443 10.860 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.591 -3.726 9.265 1.00 0.00 H new ATOM 520 N GLN A 42 2.769 -2.411 6.688 1.00 0.00 N ATOM 521 CA GLN A 42 3.611 -1.280 6.317 1.00 0.00 C ATOM 522 C GLN A 42 2.921 -0.406 5.275 1.00 0.00 C ATOM 523 O GLN A 42 2.867 0.816 5.413 1.00 0.00 O ATOM 524 CB GLN A 42 4.955 -1.773 5.777 1.00 0.00 C ATOM 525 CG GLN A 42 5.944 -2.158 6.865 1.00 0.00 C ATOM 526 CD GLN A 42 6.183 -1.038 7.859 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.158 -1.253 9.071 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.416 0.166 7.350 1.00 0.00 N ATOM 0 H GLN A 42 3.161 -3.323 6.454 1.00 0.00 H new ATOM 0 HA GLN A 42 3.784 -0.680 7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.784 -2.635 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.396 -0.993 5.156 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.573 -3.035 7.394 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.892 -2.440 6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.428 0.299 6.339 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.583 0.958 7.970 1.00 0.00 H new ATOM 537 N VAL A 43 2.395 -1.040 4.232 1.00 0.00 N ATOM 538 CA VAL A 43 1.707 -0.321 3.167 1.00 0.00 C ATOM 539 C VAL A 43 0.440 0.350 3.686 1.00 0.00 C ATOM 540 O VAL A 43 0.058 1.424 3.221 1.00 0.00 O ATOM 541 CB VAL A 43 1.339 -1.258 2.003 1.00 0.00 C ATOM 542 CG1 VAL A 43 2.593 -1.739 1.286 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.519 -2.436 2.507 1.00 0.00 C ATOM 0 H VAL A 43 2.432 -2.051 4.102 1.00 0.00 H new ATOM 0 HA VAL A 43 2.396 0.442 2.804 1.00 0.00 H new ATOM 0 HB VAL A 43 0.733 -0.701 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.312 -2.400 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.137 -0.882 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.228 -2.280 1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.267 -3.088 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.099 -2.995 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.397 -2.070 2.970 1.00 0.00 H new ATOM 553 N VAL A 44 -0.208 -0.291 4.653 1.00 0.00 N ATOM 554 CA VAL A 44 -1.433 0.243 5.236 1.00 0.00 C ATOM 555 C VAL A 44 -1.153 1.511 6.035 1.00 0.00 C ATOM 556 O VAL A 44 -1.985 2.416 6.096 1.00 0.00 O ATOM 557 CB VAL A 44 -2.114 -0.789 6.155 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.347 -0.188 6.812 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.474 -2.043 5.372 1.00 0.00 C ATOM 0 H VAL A 44 0.095 -1.181 5.049 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.102 0.478 4.408 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.413 -1.068 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.815 -0.932 7.457 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.057 0.678 7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.055 0.121 6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.954 -2.761 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.157 -1.783 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.569 -2.484 4.954 1.00 0.00 H new ATOM 569 N ARG A 45 0.026 1.571 6.646 1.00 0.00 N ATOM 570 CA ARG A 45 0.417 2.728 7.443 1.00 0.00 C ATOM 571 C ARG A 45 0.588 3.961 6.561 1.00 0.00 C ATOM 572 O ARG A 45 0.194 5.066 6.936 1.00 0.00 O ATOM 573 CB ARG A 45 1.717 2.442 8.195 1.00 0.00 C ATOM 574 CG ARG A 45 1.510 1.722 9.518 1.00 0.00 C ATOM 575 CD ARG A 45 1.040 2.678 10.604 1.00 0.00 C ATOM 576 NE ARG A 45 0.992 2.036 11.914 1.00 0.00 N ATOM 577 CZ ARG A 45 0.631 2.665 13.027 1.00 0.00 C ATOM 578 NH1 ARG A 45 0.288 3.945 12.989 1.00 0.00 N ATOM 579 NH2 ARG A 45 0.612 2.013 14.182 1.00 0.00 N ATOM 0 H ARG A 45 0.727 0.832 6.604 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.375 2.925 8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.368 1.840 7.561 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.234 3.383 8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.776 0.926 9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.443 1.249 9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.710 3.537 10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.050 3.057 10.350 1.00 0.00 H new ATOM 0 HE ARG A 45 1.250 1.051 11.978 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.301 4.450 12.103 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.011 4.425 13.846 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.875 1.028 14.216 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.335 2.497 15.036 1.00 0.00 H new ATOM 593 N TYR A 46 1.180 3.766 5.387 1.00 0.00 N ATOM 594 CA TYR A 46 1.407 4.862 4.454 1.00 0.00 C ATOM 595 C TYR A 46 0.085 5.472 3.998 1.00 0.00 C ATOM 596 O TYR A 46 -0.056 6.694 3.926 1.00 0.00 O ATOM 597 CB TYR A 46 2.199 4.372 3.241 1.00 0.00 C ATOM 598 CG TYR A 46 2.267 5.378 2.115 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.906 6.600 2.286 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.694 5.107 0.878 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.970 7.523 1.260 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.754 6.023 -0.154 1.00 0.00 C ATOM 603 CZ TYR A 46 2.393 7.229 0.042 1.00 0.00 C ATOM 604 OH TYR A 46 2.456 8.145 -0.984 1.00 0.00 O ATOM 0 H TYR A 46 1.511 2.858 5.060 1.00 0.00 H new ATOM 0 HA TYR A 46 1.983 5.630 4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.212 4.123 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.746 3.453 2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.361 6.832 3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.193 4.163 0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.469 8.469 1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.303 5.796 -1.109 1.00 0.00 H new ATOM 0 HH TYR A 46 3.274 8.677 -0.897 1.00 0.00 H new ATOM 614 N CYS A 47 -0.882 4.614 3.693 1.00 0.00 N ATOM 615 CA CYS A 47 -2.193 5.066 3.244 1.00 0.00 C ATOM 616 C CYS A 47 -2.934 5.786 4.368 1.00 0.00 C ATOM 617 O CYS A 47 -3.538 6.838 4.154 1.00 0.00 O ATOM 618 CB CYS A 47 -3.022 3.881 2.748 1.00 0.00 C ATOM 619 SG CYS A 47 -2.315 3.033 1.316 1.00 0.00 S ATOM 0 H CYS A 47 -0.782 3.600 3.749 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.047 5.767 2.422 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.135 3.165 3.562 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.021 4.233 2.492 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.309 2.303 1.697 1.00 0.00 H new ATOM 625 N THR A 48 -2.885 5.211 5.565 1.00 0.00 N ATOM 626 CA THR A 48 -3.552 5.795 6.721 1.00 0.00 C ATOM 627 C THR A 48 -2.907 7.117 7.120 1.00 0.00 C ATOM 628 O THR A 48 -3.594 8.065 7.498 1.00 0.00 O ATOM 629 CB THR A 48 -3.525 4.838 7.928 1.00 0.00 C ATOM 630 OG1 THR A 48 -4.166 3.604 7.590 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.219 5.463 9.130 1.00 0.00 C ATOM 0 H THR A 48 -2.390 4.341 5.759 1.00 0.00 H new ATOM 0 HA THR A 48 -4.587 5.973 6.431 1.00 0.00 H new ATOM 0 HB THR A 48 -2.484 4.647 8.188 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.548 3.045 7.075 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.187 4.769 9.970 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.710 6.387 9.404 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.257 5.681 8.878 1.00 0.00 H new ATOM 639 N ASP A 49 -1.583 7.173 7.031 1.00 0.00 N ATOM 640 CA ASP A 49 -0.844 8.380 7.381 1.00 0.00 C ATOM 641 C ASP A 49 -1.302 9.563 6.533 1.00 0.00 C ATOM 642 O ASP A 49 -1.282 10.709 6.985 1.00 0.00 O ATOM 643 CB ASP A 49 0.658 8.156 7.196 1.00 0.00 C ATOM 644 CG ASP A 49 1.257 7.305 8.299 1.00 0.00 C ATOM 645 OD1 ASP A 49 0.635 7.208 9.376 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.349 6.738 8.084 1.00 0.00 O ATOM 0 H ASP A 49 -0.999 6.397 6.719 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.044 8.607 8.428 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.835 7.675 6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.166 9.120 7.169 1.00 0.00 H new ATOM 651 N LEU A 50 -1.714 9.278 5.304 1.00 0.00 N ATOM 652 CA LEU A 50 -2.177 10.318 4.391 1.00 0.00 C ATOM 653 C LEU A 50 -3.459 10.964 4.908 1.00 0.00 C ATOM 654 O LEU A 50 -3.602 12.187 4.884 1.00 0.00 O ATOM 655 CB LEU A 50 -2.412 9.735 2.997 1.00 0.00 C ATOM 656 CG LEU A 50 -1.159 9.437 2.174 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.500 8.560 0.979 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.502 10.732 1.717 1.00 0.00 C ATOM 0 H LEU A 50 -1.737 8.335 4.915 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.404 11.084 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.981 8.811 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.035 10.431 2.435 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.453 8.896 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.595 8.359 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.925 7.619 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.224 9.073 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.389 10.502 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.202 11.298 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.221 11.325 2.588 1.00 0.00 H new ATOM 670 N ILE A 51 -4.386 10.135 5.375 1.00 0.00 N ATOM 671 CA ILE A 51 -5.655 10.626 5.899 1.00 0.00 C ATOM 672 C ILE A 51 -5.438 11.507 7.126 1.00 0.00 C ATOM 673 O ILE A 51 -6.270 12.354 7.448 1.00 0.00 O ATOM 674 CB ILE A 51 -6.594 9.465 6.276 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.873 8.589 5.053 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.894 10.004 6.855 1.00 0.00 C ATOM 677 CD1 ILE A 51 -6.922 7.110 5.367 1.00 0.00 C ATOM 0 H ILE A 51 -4.283 9.121 5.401 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.118 11.215 5.107 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.106 8.853 7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.822 8.890 4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.101 8.768 4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.548 9.172 7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.679 10.591 7.748 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.388 10.635 6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.124 6.551 4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.965 6.794 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.713 6.918 6.092 1.00 0.00 H new ATOM 689 N GLU A 52 -4.313 11.302 7.804 1.00 0.00 N ATOM 690 CA GLU A 52 -3.987 12.079 8.993 1.00 0.00 C ATOM 691 C GLU A 52 -3.594 13.505 8.620 1.00 0.00 C ATOM 692 O GLU A 52 -3.731 14.427 9.424 1.00 0.00 O ATOM 693 CB GLU A 52 -2.849 11.412 9.770 1.00 0.00 C ATOM 694 CG GLU A 52 -3.124 9.959 10.123 1.00 0.00 C ATOM 695 CD GLU A 52 -2.439 9.532 11.407 1.00 0.00 C ATOM 696 OE1 GLU A 52 -1.200 9.663 11.490 1.00 0.00 O ATOM 697 OE2 GLU A 52 -3.143 9.067 12.328 1.00 0.00 O ATOM 0 H GLU A 52 -3.613 10.605 7.550 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.875 12.118 9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.935 11.467 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.669 11.972 10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.199 9.810 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.788 9.320 9.306 1.00 0.00 H new ATOM 704 N GLU A 53 -3.104 13.678 7.397 1.00 0.00 N ATOM 705 CA GLU A 53 -2.689 14.991 6.918 1.00 0.00 C ATOM 706 C GLU A 53 -3.633 15.497 5.831 1.00 0.00 C ATOM 707 O GLU A 53 -3.327 16.456 5.123 1.00 0.00 O ATOM 708 CB GLU A 53 -1.258 14.934 6.380 1.00 0.00 C ATOM 709 CG GLU A 53 -1.020 13.798 5.400 1.00 0.00 C ATOM 710 CD GLU A 53 0.343 13.872 4.741 1.00 0.00 C ATOM 711 OE1 GLU A 53 0.543 14.763 3.891 1.00 0.00 O ATOM 712 OE2 GLU A 53 1.209 13.037 5.076 1.00 0.00 O ATOM 0 H GLU A 53 -2.985 12.925 6.719 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.726 15.684 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.025 15.880 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.568 14.830 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.115 12.846 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.793 13.818 4.631 1.00 0.00 H new ATOM 719 N LYS A 54 -4.783 14.844 5.704 1.00 0.00 N ATOM 720 CA LYS A 54 -5.774 15.225 4.705 1.00 0.00 C ATOM 721 C LYS A 54 -5.228 15.028 3.294 1.00 0.00 C ATOM 722 O LYS A 54 -5.787 15.542 2.325 1.00 0.00 O ATOM 723 CB LYS A 54 -6.193 16.684 4.902 1.00 0.00 C ATOM 724 CG LYS A 54 -6.456 17.050 6.353 1.00 0.00 C ATOM 725 CD LYS A 54 -7.726 17.871 6.500 1.00 0.00 C ATOM 726 CE LYS A 54 -7.500 19.324 6.108 1.00 0.00 C ATOM 727 NZ LYS A 54 -8.331 20.253 6.921 1.00 0.00 N ATOM 0 H LYS A 54 -5.052 14.047 6.281 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.646 14.583 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.412 17.334 4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.093 16.877 4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.538 16.141 6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.610 17.614 6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.511 17.443 5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.075 17.821 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.447 19.574 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.735 19.456 5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.148 21.233 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.337 20.031 6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.089 20.146 7.927 1.00 0.00 H new ATOM 741 N ASP A 55 -4.135 14.282 3.187 1.00 0.00 N ATOM 742 CA ASP A 55 -3.515 14.015 1.894 1.00 0.00 C ATOM 743 C ASP A 55 -3.967 12.667 1.343 1.00 0.00 C ATOM 744 O ASP A 55 -3.219 11.990 0.637 1.00 0.00 O ATOM 745 CB ASP A 55 -1.991 14.043 2.020 1.00 0.00 C ATOM 746 CG ASP A 55 -1.310 14.431 0.723 1.00 0.00 C ATOM 747 OD1 ASP A 55 -2.002 14.494 -0.314 1.00 0.00 O ATOM 748 OD2 ASP A 55 -0.084 14.672 0.744 1.00 0.00 O ATOM 0 H ASP A 55 -3.659 13.851 3.980 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.829 14.795 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.707 14.748 2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.637 13.061 2.333 1.00 0.00 H new ATOM 753 N LEU A 56 -5.196 12.281 1.670 1.00 0.00 N ATOM 754 CA LEU A 56 -5.749 11.012 1.208 1.00 0.00 C ATOM 755 C LEU A 56 -6.169 11.102 -0.256 1.00 0.00 C ATOM 756 O LEU A 56 -6.574 10.108 -0.857 1.00 0.00 O ATOM 757 CB LEU A 56 -6.946 10.611 2.070 1.00 0.00 C ATOM 758 CG LEU A 56 -7.874 11.748 2.502 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.295 12.578 1.300 1.00 0.00 C ATOM 760 CD2 LEU A 56 -9.094 11.195 3.225 1.00 0.00 C ATOM 0 H LEU A 56 -5.829 12.829 2.253 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.973 10.251 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.535 9.877 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.573 10.113 2.965 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.330 12.394 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.955 13.382 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.411 13.004 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.821 11.944 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.743 12.018 3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.640 10.527 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.774 10.644 4.109 1.00 0.00 H new ATOM 772 N GLU A 57 -6.068 12.301 -0.823 1.00 0.00 N ATOM 773 CA GLU A 57 -6.437 12.519 -2.217 1.00 0.00 C ATOM 774 C GLU A 57 -5.682 11.562 -3.135 1.00 0.00 C ATOM 775 O GLU A 57 -6.272 10.930 -4.012 1.00 0.00 O ATOM 776 CB GLU A 57 -6.149 13.966 -2.623 1.00 0.00 C ATOM 777 CG GLU A 57 -7.169 14.961 -2.096 1.00 0.00 C ATOM 778 CD GLU A 57 -7.247 16.219 -2.937 1.00 0.00 C ATOM 779 OE1 GLU A 57 -6.216 16.912 -3.066 1.00 0.00 O ATOM 780 OE2 GLU A 57 -8.339 16.512 -3.468 1.00 0.00 O ATOM 0 H GLU A 57 -5.734 13.135 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.505 12.326 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.160 14.246 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.120 14.030 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.150 14.488 -2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.913 15.229 -1.071 1.00 0.00 H new ATOM 787 N LYS A 58 -4.374 11.461 -2.929 1.00 0.00 N ATOM 788 CA LYS A 58 -3.537 10.582 -3.737 1.00 0.00 C ATOM 789 C LYS A 58 -3.811 9.118 -3.408 1.00 0.00 C ATOM 790 O LYS A 58 -3.751 8.253 -4.283 1.00 0.00 O ATOM 791 CB LYS A 58 -2.058 10.899 -3.506 1.00 0.00 C ATOM 792 CG LYS A 58 -1.563 10.521 -2.120 1.00 0.00 C ATOM 793 CD LYS A 58 -0.074 10.782 -1.969 1.00 0.00 C ATOM 794 CE LYS A 58 0.196 12.193 -1.468 1.00 0.00 C ATOM 795 NZ LYS A 58 1.637 12.554 -1.575 1.00 0.00 N ATOM 0 H LYS A 58 -3.870 11.978 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.780 10.753 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.462 10.373 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.895 11.965 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.111 11.090 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.769 9.467 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.355 10.060 -1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.422 10.634 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.400 12.902 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.123 12.277 -0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.779 13.522 -1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.204 11.893 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.936 12.499 -2.570 1.00 0.00 H new ATOM 809 N LEU A 59 -4.112 8.847 -2.143 1.00 0.00 N ATOM 810 CA LEU A 59 -4.398 7.486 -1.699 1.00 0.00 C ATOM 811 C LEU A 59 -5.538 6.877 -2.509 1.00 0.00 C ATOM 812 O LEU A 59 -5.436 5.748 -2.991 1.00 0.00 O ATOM 813 CB LEU A 59 -4.752 7.478 -0.211 1.00 0.00 C ATOM 814 CG LEU A 59 -5.498 6.242 0.294 1.00 0.00 C ATOM 815 CD1 LEU A 59 -4.738 4.976 -0.068 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.712 6.326 1.798 1.00 0.00 C ATOM 0 H LEU A 59 -4.165 9.551 -1.406 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.504 6.883 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.830 7.581 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.360 8.357 0.002 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.474 6.207 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.283 4.107 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.636 4.910 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.748 5.003 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.244 5.438 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.746 6.386 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.299 7.214 2.033 1.00 0.00 H new ATOM 828 N ASP A 60 -6.621 7.631 -2.658 1.00 0.00 N ATOM 829 CA ASP A 60 -7.778 7.167 -3.412 1.00 0.00 C ATOM 830 C ASP A 60 -7.362 6.659 -4.789 1.00 0.00 C ATOM 831 O ASP A 60 -7.964 5.730 -5.328 1.00 0.00 O ATOM 832 CB ASP A 60 -8.803 8.294 -3.558 1.00 0.00 C ATOM 833 CG ASP A 60 -10.045 7.853 -4.309 1.00 0.00 C ATOM 834 OD1 ASP A 60 -10.827 7.057 -3.746 1.00 0.00 O ATOM 835 OD2 ASP A 60 -10.236 8.304 -5.457 1.00 0.00 O ATOM 0 H ASP A 60 -6.721 8.567 -2.266 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.232 6.342 -2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.088 8.652 -2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.344 9.133 -4.081 1.00 0.00 H new ATOM 840 N LEU A 61 -6.329 7.275 -5.353 1.00 0.00 N ATOM 841 CA LEU A 61 -5.832 6.886 -6.668 1.00 0.00 C ATOM 842 C LEU A 61 -5.012 5.603 -6.583 1.00 0.00 C ATOM 843 O LEU A 61 -5.026 4.781 -7.500 1.00 0.00 O ATOM 844 CB LEU A 61 -4.982 8.009 -7.267 1.00 0.00 C ATOM 845 CG LEU A 61 -5.550 9.422 -7.138 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.509 10.456 -7.537 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.805 9.572 -7.987 1.00 0.00 C ATOM 0 H LEU A 61 -5.819 8.046 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.691 6.704 -7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.001 7.988 -6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.828 7.796 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.818 9.590 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.933 11.455 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.638 10.365 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.209 10.290 -8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.196 10.584 -7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.562 9.383 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.557 8.857 -7.654 1.00 0.00 H new ATOM 859 N VAL A 62 -4.299 5.435 -5.474 1.00 0.00 N ATOM 860 CA VAL A 62 -3.475 4.250 -5.266 1.00 0.00 C ATOM 861 C VAL A 62 -4.333 2.994 -5.173 1.00 0.00 C ATOM 862 O VAL A 62 -3.941 1.926 -5.643 1.00 0.00 O ATOM 863 CB VAL A 62 -2.625 4.374 -3.987 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.799 3.115 -3.771 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.731 5.602 -4.060 1.00 0.00 C ATOM 0 H VAL A 62 -4.275 6.105 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.812 4.171 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.295 4.490 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.205 3.221 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.463 2.257 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.136 2.964 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.137 5.675 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.067 5.518 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.347 6.495 -4.164 1.00 0.00 H new ATOM 875 N ILE A 63 -5.506 3.129 -4.563 1.00 0.00 N ATOM 876 CA ILE A 63 -6.422 2.005 -4.410 1.00 0.00 C ATOM 877 C ILE A 63 -6.744 1.370 -5.758 1.00 0.00 C ATOM 878 O ILE A 63 -6.918 0.156 -5.860 1.00 0.00 O ATOM 879 CB ILE A 63 -7.735 2.436 -3.731 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.447 3.067 -2.368 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.671 1.247 -3.585 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.705 2.148 -1.422 1.00 0.00 C ATOM 0 H ILE A 63 -5.844 4.006 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.919 1.273 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.223 3.182 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.862 3.975 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.389 3.365 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.595 1.568 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.898 0.840 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.192 0.480 -2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.535 2.661 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.298 1.250 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.747 1.870 -1.861 1.00 0.00 H new ATOM 894 N LYS A 64 -6.819 2.199 -6.793 1.00 0.00 N ATOM 895 CA LYS A 64 -7.116 1.721 -8.139 1.00 0.00 C ATOM 896 C LYS A 64 -5.920 0.981 -8.729 1.00 0.00 C ATOM 897 O LYS A 64 -6.080 0.089 -9.564 1.00 0.00 O ATOM 898 CB LYS A 64 -7.505 2.892 -9.044 1.00 0.00 C ATOM 899 CG LYS A 64 -8.519 3.833 -8.420 1.00 0.00 C ATOM 900 CD LYS A 64 -9.865 3.154 -8.225 1.00 0.00 C ATOM 901 CE LYS A 64 -10.618 3.023 -9.540 1.00 0.00 C ATOM 902 NZ LYS A 64 -11.480 4.208 -9.806 1.00 0.00 N ATOM 0 H LYS A 64 -6.678 3.207 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.954 1.027 -8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.608 3.456 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.912 2.500 -9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.146 4.186 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.642 4.710 -9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.716 2.166 -7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.464 3.727 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.906 2.902 -10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.234 2.124 -9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.976 4.080 -10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.177 4.309 -9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.890 5.063 -9.852 1.00 0.00 H new ATOM 916 N TYR A 65 -4.723 1.355 -8.291 1.00 0.00 N ATOM 917 CA TYR A 65 -3.501 0.727 -8.778 1.00 0.00 C ATOM 918 C TYR A 65 -3.225 -0.575 -8.035 1.00 0.00 C ATOM 919 O TYR A 65 -2.720 -1.538 -8.613 1.00 0.00 O ATOM 920 CB TYR A 65 -2.315 1.681 -8.618 1.00 0.00 C ATOM 921 CG TYR A 65 -1.251 1.507 -9.679 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.549 1.679 -11.024 1.00 0.00 C ATOM 923 CD2 TYR A 65 0.052 1.170 -9.335 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.581 1.521 -11.997 1.00 0.00 C ATOM 925 CE2 TYR A 65 1.027 1.011 -10.300 1.00 0.00 C ATOM 926 CZ TYR A 65 0.706 1.187 -11.630 1.00 0.00 C ATOM 927 OH TYR A 65 1.674 1.029 -12.595 1.00 0.00 O ATOM 0 H TYR A 65 -4.573 2.090 -7.600 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.635 0.499 -9.835 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.679 2.708 -8.645 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.866 1.528 -7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.556 1.941 -11.315 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.307 1.030 -8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.831 1.658 -13.039 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.036 0.750 -10.015 1.00 0.00 H new ATOM 0 HH TYR A 65 2.525 0.796 -12.169 1.00 0.00 H new ATOM 937 N MET A 66 -3.560 -0.598 -6.749 1.00 0.00 N ATOM 938 CA MET A 66 -3.349 -1.784 -5.926 1.00 0.00 C ATOM 939 C MET A 66 -4.373 -2.865 -6.259 1.00 0.00 C ATOM 940 O MET A 66 -4.081 -4.058 -6.175 1.00 0.00 O ATOM 941 CB MET A 66 -3.437 -1.423 -4.442 1.00 0.00 C ATOM 942 CG MET A 66 -2.274 -1.952 -3.618 1.00 0.00 C ATOM 943 SD MET A 66 -2.485 -1.661 -1.852 1.00 0.00 S ATOM 944 CE MET A 66 -2.885 0.085 -1.842 1.00 0.00 C ATOM 0 H MET A 66 -3.978 0.190 -6.255 1.00 0.00 H new ATOM 0 HA MET A 66 -2.353 -2.172 -6.140 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.479 -0.338 -4.342 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.369 -1.817 -4.035 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.165 -3.022 -3.795 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.351 -1.478 -3.953 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.853 0.460 -0.819 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.161 0.628 -2.450 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.885 0.232 -2.251 1.00 0.00 H new ATOM 954 N LYS A 67 -5.574 -2.441 -6.637 1.00 0.00 N ATOM 955 CA LYS A 67 -6.640 -3.373 -6.985 1.00 0.00 C ATOM 956 C LYS A 67 -6.429 -3.946 -8.382 1.00 0.00 C ATOM 957 O LYS A 67 -6.733 -5.111 -8.637 1.00 0.00 O ATOM 958 CB LYS A 67 -8.000 -2.673 -6.909 1.00 0.00 C ATOM 959 CG LYS A 67 -8.217 -1.644 -8.005 1.00 0.00 C ATOM 960 CD LYS A 67 -9.577 -0.977 -7.883 1.00 0.00 C ATOM 961 CE LYS A 67 -10.690 -1.891 -8.372 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.647 -2.078 -9.849 1.00 0.00 N ATOM 0 H LYS A 67 -5.834 -1.457 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.619 -4.194 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.789 -3.423 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.094 -2.184 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.434 -0.887 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.133 -2.126 -8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.758 -0.705 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.583 -0.052 -8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.606 -2.860 -7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.655 -1.472 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.559 -2.454 -10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.463 -1.164 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.889 -2.747 -10.092 1.00 0.00 H new ATOM 976 N ARG A 68 -5.905 -3.121 -9.283 1.00 0.00 N ATOM 977 CA ARG A 68 -5.653 -3.547 -10.653 1.00 0.00 C ATOM 978 C ARG A 68 -4.355 -4.344 -10.746 1.00 0.00 C ATOM 979 O ARG A 68 -4.169 -5.144 -11.663 1.00 0.00 O ATOM 980 CB ARG A 68 -5.585 -2.333 -11.583 1.00 0.00 C ATOM 981 CG ARG A 68 -4.289 -1.547 -11.465 1.00 0.00 C ATOM 982 CD ARG A 68 -4.362 -0.236 -12.232 1.00 0.00 C ATOM 983 NE ARG A 68 -4.699 -0.442 -13.638 1.00 0.00 N ATOM 984 CZ ARG A 68 -3.825 -0.846 -14.552 1.00 0.00 C ATOM 985 NH1 ARG A 68 -2.566 -1.086 -14.210 1.00 0.00 N ATOM 986 NH2 ARG A 68 -4.207 -1.010 -15.811 1.00 0.00 N ATOM 0 H ARG A 68 -5.647 -2.154 -9.088 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.477 -4.190 -10.963 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.704 -2.668 -12.613 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.423 -1.671 -11.364 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.079 -1.344 -10.415 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.462 -2.147 -11.845 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.108 0.412 -11.772 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.404 0.279 -12.161 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.659 -0.266 -13.934 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.267 -0.960 -13.243 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.897 -1.396 -14.914 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.174 -0.826 -16.079 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.534 -1.320 -16.512 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.461 -4.120 -9.789 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.179 -4.817 -9.761 1.00 0.00 C ATOM 1002 C LEU A 69 -2.343 -6.236 -9.225 1.00 0.00 C ATOM 1003 O LEU A 69 -1.970 -7.206 -9.885 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.176 -4.047 -8.901 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.364 -2.969 -9.619 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.521 -2.222 -8.634 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.474 -3.586 -10.729 1.00 0.00 C ATOM 0 H LEU A 69 -3.600 -3.462 -9.022 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.802 -4.875 -10.782 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.717 -3.579 -8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.482 -4.762 -8.459 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.057 -2.256 -10.066 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.091 -1.459 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.100 -1.749 -7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.207 -2.922 -8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.046 -2.805 -11.230 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.158 -4.320 -10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.181 -4.075 -11.450 1.00 0.00 H new ATOM 1019 N MET A 70 -2.903 -6.349 -8.025 1.00 0.00 N ATOM 1020 CA MET A 70 -3.119 -7.650 -7.403 1.00 0.00 C ATOM 1021 C MET A 70 -3.978 -8.543 -8.293 1.00 0.00 C ATOM 1022 O MET A 70 -3.902 -9.768 -8.215 1.00 0.00 O ATOM 1023 CB MET A 70 -3.784 -7.481 -6.035 1.00 0.00 C ATOM 1024 CG MET A 70 -2.794 -7.354 -4.889 1.00 0.00 C ATOM 1025 SD MET A 70 -3.093 -5.897 -3.871 1.00 0.00 S ATOM 1026 CE MET A 70 -1.507 -5.721 -3.058 1.00 0.00 C ATOM 0 H MET A 70 -3.215 -5.556 -7.464 1.00 0.00 H new ATOM 0 HA MET A 70 -2.148 -8.127 -7.270 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.419 -6.595 -6.056 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.435 -8.335 -5.849 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.850 -8.246 -4.265 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.782 -7.310 -5.292 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.401 -4.703 -2.684 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.445 -6.422 -2.225 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.708 -5.931 -3.769 1.00 0.00 H new ATOM 1036 N GLN A 71 -4.796 -7.920 -9.135 1.00 0.00 N ATOM 1037 CA GLN A 71 -5.670 -8.659 -10.039 1.00 0.00 C ATOM 1038 C GLN A 71 -4.858 -9.540 -10.981 1.00 0.00 C ATOM 1039 O GLN A 71 -5.218 -10.690 -11.236 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.539 -7.693 -10.846 1.00 0.00 C ATOM 1041 CG GLN A 71 -7.884 -7.402 -10.200 1.00 0.00 C ATOM 1042 CD GLN A 71 -8.869 -8.542 -10.363 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.505 -9.635 -10.798 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.126 -8.294 -10.012 1.00 0.00 N ATOM 0 H GLN A 71 -4.872 -6.906 -9.210 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.315 -9.300 -9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.999 -6.756 -10.979 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.705 -8.110 -11.840 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.737 -7.203 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.305 -6.498 -10.639 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.384 -7.374 -9.656 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.833 -9.024 -10.098 1.00 0.00 H new ATOM 1053 N GLN A 72 -3.762 -8.994 -11.497 1.00 0.00 N ATOM 1054 CA GLN A 72 -2.900 -9.730 -12.414 1.00 0.00 C ATOM 1055 C GLN A 72 -2.473 -11.064 -11.807 1.00 0.00 C ATOM 1056 O GLN A 72 -2.204 -12.026 -12.525 1.00 0.00 O ATOM 1057 CB GLN A 72 -1.665 -8.900 -12.766 1.00 0.00 C ATOM 1058 CG GLN A 72 -0.574 -8.952 -11.709 1.00 0.00 C ATOM 1059 CD GLN A 72 0.242 -7.677 -11.648 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.103 -6.675 -12.275 1.00 0.00 O ATOM 1061 NE2 GLN A 72 1.333 -7.706 -10.890 1.00 0.00 N ATOM 0 H GLN A 72 -3.450 -8.044 -11.296 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.467 -9.928 -13.324 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.258 -9.254 -13.713 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.965 -7.863 -12.915 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.026 -9.136 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.088 -9.793 -11.917 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.582 -8.558 -10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.921 -6.876 -10.811 1.00 0.00 H new ATOM 1070 N SER A 73 -2.415 -11.112 -10.480 1.00 0.00 N ATOM 1071 CA SER A 73 -2.018 -12.327 -9.777 1.00 0.00 C ATOM 1072 C SER A 73 -3.224 -13.225 -9.519 1.00 0.00 C ATOM 1073 O SER A 73 -4.358 -12.753 -9.433 1.00 0.00 O ATOM 1074 CB SER A 73 -1.338 -11.974 -8.452 1.00 0.00 C ATOM 1075 OG SER A 73 -0.507 -10.835 -8.592 1.00 0.00 O ATOM 0 H SER A 73 -2.637 -10.325 -9.870 1.00 0.00 H new ATOM 0 HA SER A 73 -1.313 -12.869 -10.408 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.095 -11.784 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.744 -12.821 -8.108 1.00 0.00 H new ATOM 0 HG SER A 73 -0.086 -10.630 -7.731 1.00 0.00 H new ATOM 1081 N VAL A 74 -2.971 -14.524 -9.397 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.034 -15.490 -9.148 1.00 0.00 C ATOM 1083 C VAL A 74 -3.998 -15.988 -7.708 1.00 0.00 C ATOM 1084 O VAL A 74 -4.992 -16.501 -7.194 1.00 0.00 O ATOM 1085 CB VAL A 74 -3.931 -16.697 -10.100 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.883 -16.232 -11.547 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.710 -17.538 -9.761 1.00 0.00 C ATOM 0 H VAL A 74 -2.039 -14.932 -9.467 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.978 -14.975 -9.328 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.818 -17.317 -9.972 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.810 -17.098 -12.205 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.790 -15.674 -11.780 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.014 -15.590 -11.694 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.652 -18.387 -10.443 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.811 -16.930 -9.861 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.791 -17.901 -8.736 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.847 -15.832 -7.062 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.682 -16.267 -5.680 1.00 0.00 C ATOM 1099 C GLU A 75 -3.764 -15.665 -4.788 1.00 0.00 C ATOM 1100 O GLU A 75 -4.071 -14.477 -4.880 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.299 -15.872 -5.160 1.00 0.00 C ATOM 1102 CG GLU A 75 -0.165 -16.249 -6.097 1.00 0.00 C ATOM 1103 CD GLU A 75 -0.221 -17.703 -6.525 1.00 0.00 C ATOM 1104 OE1 GLU A 75 -0.979 -18.014 -7.470 1.00 0.00 O ATOM 1105 OE2 GLU A 75 0.491 -18.530 -5.919 1.00 0.00 O ATOM 0 H GLU A 75 -2.015 -15.408 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.776 -17.353 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.277 -14.795 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.134 -16.349 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.202 -15.612 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.788 -16.056 -5.604 1.00 0.00 H new ATOM 1112 N SER A 76 -4.340 -16.496 -3.924 1.00 0.00 N ATOM 1113 CA SER A 76 -5.391 -16.049 -3.018 1.00 0.00 C ATOM 1114 C SER A 76 -4.835 -15.080 -1.978 1.00 0.00 C ATOM 1115 O SER A 76 -5.551 -14.212 -1.478 1.00 0.00 O ATOM 1116 CB SER A 76 -6.037 -17.248 -2.320 1.00 0.00 C ATOM 1117 OG SER A 76 -6.364 -18.264 -3.253 1.00 0.00 O ATOM 0 H SER A 76 -4.096 -17.482 -3.833 1.00 0.00 H new ATOM 0 HA SER A 76 -6.147 -15.530 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.356 -17.646 -1.568 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.937 -16.927 -1.796 1.00 0.00 H new ATOM 0 HG SER A 76 -6.774 -19.020 -2.783 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.555 -15.236 -1.657 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.902 -14.376 -0.679 1.00 0.00 C ATOM 1125 C VAL A 77 -2.993 -12.909 -1.088 1.00 0.00 C ATOM 1126 O VAL A 77 -3.215 -12.033 -0.252 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.420 -14.756 -0.497 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.695 -14.730 -1.834 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.750 -13.823 0.501 1.00 0.00 C ATOM 0 H VAL A 77 -2.950 -15.951 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.425 -14.519 0.267 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.368 -15.771 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.350 -15.001 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.162 -15.442 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.754 -13.728 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.296 -14.106 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.810 -12.797 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.255 -13.897 1.464 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.819 -12.650 -2.379 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.882 -11.289 -2.900 1.00 0.00 C ATOM 1141 C TRP A 78 -4.325 -10.802 -2.976 1.00 0.00 C ATOM 1142 O TRP A 78 -4.638 -9.692 -2.547 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.234 -11.221 -4.284 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.737 -11.152 -4.236 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.141 -12.071 -4.736 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.055 -10.111 -3.656 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.431 -11.663 -4.500 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.406 -10.463 -3.840 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.246 -8.914 -2.999 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.452 -9.662 -3.390 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.793 -8.120 -2.553 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.128 -8.496 -2.751 1.00 0.00 C ATOM 0 H TRP A 78 -2.633 -13.364 -3.084 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.334 -10.639 -2.218 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.532 -12.097 -4.860 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.614 -10.347 -4.813 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -0.138 -12.983 -5.242 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.272 -12.172 -4.772 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.272 -8.615 -2.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.482 -9.950 -3.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.572 -7.194 -2.043 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.918 -7.853 -2.392 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.200 -11.638 -3.524 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.610 -11.291 -3.656 1.00 0.00 C ATOM 1165 C ASN A 79 -7.224 -10.980 -2.294 1.00 0.00 C ATOM 1166 O ASN A 79 -7.929 -9.984 -2.132 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.378 -12.434 -4.324 1.00 0.00 C ATOM 1168 CG ASN A 79 -7.104 -12.521 -5.813 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.647 -11.748 -6.603 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -6.257 -13.466 -6.204 1.00 0.00 N ATOM 0 H ASN A 79 -4.958 -12.561 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.682 -10.400 -4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.104 -13.377 -3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.447 -12.294 -4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.034 -13.573 -7.193 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.830 -14.085 -5.515 1.00 0.00 H new ATOM 1177 N MET A 80 -6.949 -11.839 -1.317 1.00 0.00 N ATOM 1178 CA MET A 80 -7.472 -11.654 0.031 1.00 0.00 C ATOM 1179 C MET A 80 -6.777 -10.490 0.730 1.00 0.00 C ATOM 1180 O MET A 80 -7.383 -9.786 1.538 1.00 0.00 O ATOM 1181 CB MET A 80 -7.295 -12.935 0.849 1.00 0.00 C ATOM 1182 CG MET A 80 -8.055 -14.125 0.287 1.00 0.00 C ATOM 1183 SD MET A 80 -9.770 -14.177 0.841 1.00 0.00 S ATOM 1184 CE MET A 80 -9.595 -15.032 2.405 1.00 0.00 C ATOM 0 H MET A 80 -6.368 -12.669 -1.434 1.00 0.00 H new ATOM 0 HA MET A 80 -8.535 -11.424 -0.047 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.234 -13.182 0.897 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.627 -12.752 1.871 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.030 -14.086 -0.802 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.553 -15.046 0.585 1.00 0.00 H new ATOM 0 HE1 MET A 80 -10.574 -15.141 2.871 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.162 -16.018 2.234 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.942 -14.458 3.062 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.501 -10.293 0.413 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.725 -9.213 1.010 1.00 0.00 C ATOM 1196 C ALA A 81 -5.371 -7.858 0.741 1.00 0.00 C ATOM 1197 O ALA A 81 -5.606 -7.077 1.663 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.299 -9.234 0.480 1.00 0.00 C ATOM 0 H ALA A 81 -4.984 -10.867 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.703 -9.368 2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.730 -8.422 0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.832 -10.187 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.311 -9.107 -0.603 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.654 -7.585 -0.528 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.272 -6.323 -0.918 1.00 0.00 C ATOM 1206 C PHE A 82 -7.528 -6.054 -0.093 1.00 0.00 C ATOM 1207 O PHE A 82 -7.732 -4.945 0.400 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.623 -6.342 -2.408 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.448 -5.165 -2.845 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -7.024 -3.871 -2.589 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.649 -5.353 -3.510 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.782 -2.787 -2.989 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.411 -4.273 -3.914 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.977 -2.988 -3.653 1.00 0.00 C ATOM 0 H PHE A 82 -5.465 -8.220 -1.304 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.556 -5.523 -0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.702 -6.366 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.166 -7.260 -2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.091 -3.708 -2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.994 -6.356 -3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.441 -1.783 -2.783 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.344 -4.434 -4.433 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.570 -2.142 -3.967 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.363 -7.075 0.052 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.599 -6.951 0.818 1.00 0.00 C ATOM 1226 C ASP A 83 -9.321 -6.384 2.207 1.00 0.00 C ATOM 1227 O ASP A 83 -10.040 -5.507 2.686 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.291 -8.309 0.935 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.060 -8.678 -0.317 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.082 -8.018 -0.602 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -10.640 -9.624 -1.016 1.00 0.00 O ATOM 0 H ASP A 83 -8.208 -7.999 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.258 -6.263 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.545 -9.077 1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.973 -8.294 1.785 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.275 -6.893 2.849 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.904 -6.441 4.184 1.00 0.00 C ATOM 1238 C PHE A 84 -7.254 -5.061 4.131 1.00 0.00 C ATOM 1239 O PHE A 84 -7.659 -4.144 4.845 1.00 0.00 O ATOM 1240 CB PHE A 84 -6.949 -7.441 4.839 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.603 -7.099 6.259 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -5.542 -6.254 6.544 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -7.338 -7.622 7.311 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -5.221 -5.938 7.851 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -7.022 -7.309 8.620 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.963 -6.466 8.889 1.00 0.00 C ATOM 0 H PHE A 84 -7.669 -7.619 2.466 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.813 -6.373 4.781 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.400 -8.433 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.032 -7.492 4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.959 -5.838 5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.168 -8.282 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.391 -5.279 8.060 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.603 -7.723 9.431 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.715 -6.219 9.911 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.244 -4.924 3.279 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.538 -3.657 3.130 1.00 0.00 C ATOM 1258 C ILE A 85 -6.512 -2.510 2.887 1.00 0.00 C ATOM 1259 O ILE A 85 -6.538 -1.532 3.636 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.524 -3.709 1.971 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.504 -4.825 2.207 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.825 -2.367 1.818 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -2.754 -5.232 0.958 1.00 0.00 C ATOM 0 H ILE A 85 -5.896 -5.674 2.682 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.002 -3.484 4.063 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.061 -3.923 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.788 -4.498 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.018 -5.696 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.112 -2.420 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.564 -1.594 1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.297 -2.124 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.048 -6.027 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.461 -5.590 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.211 -4.373 0.563 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.315 -2.635 1.835 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.293 -1.609 1.493 1.00 0.00 C ATOM 1277 C LEU A 86 -9.292 -1.409 2.629 1.00 0.00 C ATOM 1278 O LEU A 86 -9.776 -0.299 2.856 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.034 -1.990 0.210 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.181 -2.990 0.368 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.490 -2.262 0.632 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.296 -3.869 -0.869 1.00 0.00 C ATOM 0 H LEU A 86 -7.307 -3.437 1.205 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.759 -0.672 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.431 -1.080 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.312 -2.404 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.966 -3.630 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.295 -2.989 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.403 -1.677 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.712 -1.598 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.117 -4.574 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.488 -3.245 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.365 -4.418 -1.013 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.594 -2.489 3.342 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.532 -2.432 4.457 1.00 0.00 C ATOM 1296 C ASP A 87 -9.966 -1.597 5.601 1.00 0.00 C ATOM 1297 O ASP A 87 -10.707 -0.934 6.325 1.00 0.00 O ATOM 1298 CB ASP A 87 -10.858 -3.842 4.951 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.538 -3.839 6.306 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.780 -3.711 6.344 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -10.829 -3.963 7.326 1.00 0.00 O ATOM 0 H ASP A 87 -9.203 -3.415 3.167 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.448 -1.959 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.503 -4.338 4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.939 -4.424 5.011 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.646 -1.636 5.758 1.00 0.00 N ATOM 1307 CA ASN A 88 -7.980 -0.884 6.816 1.00 0.00 C ATOM 1308 C ASN A 88 -8.035 0.614 6.535 1.00 0.00 C ATOM 1309 O ASN A 88 -8.346 1.411 7.421 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.525 -1.336 6.953 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.373 -2.524 7.883 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.483 -2.552 8.732 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.244 -3.514 7.724 1.00 0.00 N ATOM 0 H ASN A 88 -8.017 -2.180 5.167 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.503 -1.080 7.752 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.134 -1.596 5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.924 -0.507 7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.191 -4.341 8.319 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.966 -3.448 7.007 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.731 0.991 5.297 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.748 2.393 4.900 1.00 0.00 C ATOM 1322 C VAL A 89 -9.175 2.919 4.800 1.00 0.00 C ATOM 1323 O VAL A 89 -9.427 4.102 5.030 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.041 2.600 3.547 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.582 2.182 3.637 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.758 1.831 2.447 1.00 0.00 C ATOM 0 H VAL A 89 -7.470 0.345 4.552 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.213 2.947 5.671 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.075 3.661 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.099 2.335 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.078 2.782 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.522 1.128 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.245 1.989 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.758 0.768 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.786 2.185 2.366 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.105 2.034 4.458 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.508 2.410 4.329 1.00 0.00 C ATOM 1338 C GLN A 90 -12.157 2.571 5.699 1.00 0.00 C ATOM 1339 O GLN A 90 -13.053 3.395 5.880 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.265 1.362 3.512 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.953 1.407 2.024 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.716 2.500 1.301 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -13.774 2.255 0.722 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.182 3.715 1.332 1.00 0.00 N ATOM 0 H GLN A 90 -9.913 1.051 4.265 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.555 3.368 3.811 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.023 0.371 3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.336 1.507 3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.883 1.563 1.885 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.195 0.443 1.576 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.303 3.873 1.824 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.651 4.490 0.864 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.699 1.776 6.662 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.234 1.831 8.017 1.00 0.00 C ATOM 1355 C VAL A 91 -11.714 3.053 8.765 1.00 0.00 C ATOM 1356 O VAL A 91 -12.483 3.796 9.375 1.00 0.00 O ATOM 1357 CB VAL A 91 -11.876 0.564 8.814 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.063 0.798 10.304 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -12.712 -0.617 8.342 1.00 0.00 C ATOM 0 H VAL A 91 -10.959 1.087 6.528 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.318 1.899 7.926 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.826 0.331 8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.805 -0.109 10.850 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.416 1.613 10.628 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.102 1.058 10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.445 -1.504 8.916 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.769 -0.395 8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.521 -0.799 7.284 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.401 3.257 8.713 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.775 4.390 9.385 1.00 0.00 C ATOM 1371 C VAL A 92 -10.435 5.702 8.976 1.00 0.00 C ATOM 1372 O VAL A 92 -10.715 6.557 9.818 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.270 4.466 9.073 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.034 4.462 7.570 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.654 5.700 9.714 1.00 0.00 C ATOM 0 H VAL A 92 -9.750 2.652 8.212 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.908 4.237 10.456 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.785 3.585 9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.964 4.516 7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.438 3.545 7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.531 5.322 7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.589 5.737 9.483 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.141 6.594 9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.789 5.655 10.795 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.680 5.857 7.680 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.308 7.066 7.159 1.00 0.00 C ATOM 1387 C LEU A 93 -12.798 7.090 7.485 1.00 0.00 C ATOM 1388 O LEU A 93 -13.403 8.157 7.587 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.103 7.159 5.645 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.209 6.553 4.781 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.286 7.587 4.491 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.633 6.004 3.484 1.00 0.00 C ATOM 0 H LEU A 93 -10.453 5.160 6.970 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.837 7.925 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.994 8.210 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.163 6.667 5.395 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.663 5.729 5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.065 7.138 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.720 7.933 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.846 8.432 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.435 5.577 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.153 6.810 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.898 5.231 3.710 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.381 5.907 7.649 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.800 5.793 7.965 1.00 0.00 C ATOM 1406 C GLN A 94 -15.089 6.316 9.368 1.00 0.00 C ATOM 1407 O GLN A 94 -16.210 6.723 9.670 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.256 4.338 7.846 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.628 4.079 8.447 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.076 2.641 8.280 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.206 2.374 7.870 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.191 1.703 8.597 1.00 0.00 N ATOM 0 H GLN A 94 -12.893 5.015 7.568 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.355 6.399 7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.271 4.056 6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.526 3.696 8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.609 4.329 9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.357 4.740 7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.265 1.968 8.933 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.437 0.717 8.504 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.070 6.301 10.222 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.216 6.773 11.593 1.00 0.00 C ATOM 1423 C GLN A 95 -14.155 8.296 11.655 1.00 0.00 C ATOM 1424 O GLN A 95 -14.830 8.923 12.471 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.126 6.170 12.481 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.039 4.655 12.394 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.539 4.024 13.679 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.328 3.636 14.541 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.223 3.920 13.815 1.00 0.00 N ATOM 0 H GLN A 95 -13.135 5.967 9.988 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.191 6.452 11.959 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.163 6.597 12.201 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.313 6.456 13.516 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.023 4.252 12.155 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.374 4.380 11.576 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.606 4.255 13.075 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.829 3.505 14.659 1.00 0.00 H new ATOM 1438 N THR A 96 -13.338 8.885 10.787 1.00 0.00 N ATOM 1439 CA THR A 96 -13.187 10.334 10.743 1.00 0.00 C ATOM 1440 C THR A 96 -14.244 10.971 9.847 1.00 0.00 C ATOM 1441 O THR A 96 -14.690 12.091 10.096 1.00 0.00 O ATOM 1442 CB THR A 96 -11.790 10.738 10.237 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.563 12.131 10.482 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.649 10.451 8.749 1.00 0.00 C ATOM 0 H THR A 96 -12.771 8.381 10.105 1.00 0.00 H new ATOM 0 HA THR A 96 -13.314 10.696 11.763 1.00 0.00 H new ATOM 0 HB THR A 96 -11.049 10.149 10.777 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.672 12.379 10.159 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.654 10.745 8.414 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.793 9.386 8.569 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.399 11.017 8.197 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.641 10.250 8.804 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.644 10.745 7.870 1.00 0.00 C ATOM 1454 C TYR A 97 -17.028 10.208 8.220 1.00 0.00 C ATOM 1455 O TYR A 97 -17.980 10.970 8.383 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.278 10.349 6.438 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.177 11.195 5.839 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.435 12.481 5.380 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.880 10.707 5.730 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.432 13.256 4.830 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.872 11.477 5.182 1.00 0.00 C ATOM 1462 CZ TYR A 97 -12.153 12.750 4.734 1.00 0.00 C ATOM 1463 OH TYR A 97 -11.152 13.520 4.188 1.00 0.00 O ATOM 0 H TYR A 97 -14.283 9.320 8.585 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.667 11.832 7.945 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.969 9.304 6.427 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.166 10.426 5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.435 12.881 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.657 9.710 6.079 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.649 14.253 4.477 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.869 11.084 5.105 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.382 13.534 4.795 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.130 8.887 8.335 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.400 8.267 8.667 1.00 0.00 C ATOM 1475 C GLY A 98 -18.848 7.267 7.620 1.00 0.00 C ATOM 1476 O GLY A 98 -19.710 6.427 7.882 1.00 0.00 O ATOM 0 H GLY A 98 -16.356 8.235 8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.315 7.766 9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.161 9.040 8.776 1.00 0.00 H new ATOM 1480 N SER A 99 -18.264 7.356 6.430 1.00 0.00 N ATOM 1481 CA SER A 99 -18.612 6.455 5.338 1.00 0.00 C ATOM 1482 C SER A 99 -17.357 5.885 4.683 1.00 0.00 C ATOM 1483 O SER A 99 -16.242 6.097 5.161 1.00 0.00 O ATOM 1484 CB SER A 99 -19.457 7.187 4.294 1.00 0.00 C ATOM 1485 OG SER A 99 -20.601 7.778 4.887 1.00 0.00 O ATOM 0 H SER A 99 -17.547 8.043 6.197 1.00 0.00 H new ATOM 0 HA SER A 99 -19.192 5.630 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.856 7.957 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.766 6.488 3.517 1.00 0.00 H new ATOM 0 HG SER A 99 -21.124 8.241 4.199 1.00 0.00 H new ATOM 1491 N THR A 100 -17.547 5.159 3.586 1.00 0.00 N ATOM 1492 CA THR A 100 -16.433 4.557 2.866 1.00 0.00 C ATOM 1493 C THR A 100 -16.540 4.820 1.368 1.00 0.00 C ATOM 1494 O THR A 100 -17.568 5.293 0.882 1.00 0.00 O ATOM 1495 CB THR A 100 -16.365 3.037 3.104 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.440 2.385 2.418 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.438 2.719 4.591 1.00 0.00 C ATOM 0 H THR A 100 -18.463 4.974 3.177 1.00 0.00 H new ATOM 0 HA THR A 100 -15.523 5.019 3.250 1.00 0.00 H new ATOM 0 HB THR A 100 -15.414 2.672 2.716 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.389 1.419 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.388 1.640 4.735 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.602 3.193 5.106 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.376 3.097 4.998 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.472 4.511 0.639 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.446 4.714 -0.805 1.00 0.00 C ATOM 1507 C LEU A 101 -16.028 3.507 -1.534 1.00 0.00 C ATOM 1508 O LEU A 101 -16.054 2.398 -1.000 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.015 4.970 -1.278 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.361 6.257 -0.775 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.870 6.251 -1.074 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -14.028 7.473 -1.402 1.00 0.00 C ATOM 0 H LEU A 101 -14.613 4.119 1.025 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.059 5.585 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.396 4.127 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.012 4.987 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.493 6.311 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.422 7.175 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.403 5.400 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.715 6.173 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.550 8.381 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.927 7.425 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.085 7.486 -1.136 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.489 3.729 -2.760 1.00 0.00 N ATOM 1525 CA LYS A 102 -17.068 2.659 -3.566 1.00 0.00 C ATOM 1526 C LYS A 102 -15.997 1.977 -4.411 1.00 0.00 C ATOM 1527 O LYS A 102 -15.223 2.637 -5.104 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.170 3.214 -4.471 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.958 2.139 -5.198 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.625 1.181 -4.223 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.446 0.129 -4.950 1.00 0.00 C ATOM 1532 NZ LYS A 102 -20.982 -0.900 -4.016 1.00 0.00 N ATOM 0 H LYS A 102 -16.473 4.640 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.499 1.920 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.856 3.812 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.723 3.884 -5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.716 2.605 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.293 1.583 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.865 0.693 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.268 1.741 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.272 0.611 -5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.828 -0.354 -5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.536 -1.599 -4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.193 -1.378 -3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.592 -0.443 -3.309 1.00 0.00 H new