USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 826 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 13 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.438 K(o=-0.44,f=-4.2!) USER MOD Single : A 20 TYR OH : rot -45:sc= 0.747 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -8.08! C(o=-8.1!,f=-11!) USER MOD Single : A 25 THR OG1 : rot -41:sc= 1.29 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 54 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.01) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.616 (180deg=-1.01) USER MOD Single : A 79 SER OG : rot 55:sc= 1.35 USER MOD Single : A 80 SER OG : rot 58:sc= 1.24 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 92 HIS : no HE2:sc= -1.72! K(o=-1.7!,f=-1.2) USER MOD Single : A 95 LYS NZ :NH3+ -142:sc= -0.981 (180deg=-3.36!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= 0.829 (180deg=0.509) USER MOD Single : A 99 MET CE :methyl -164:sc= -0.0375 (180deg=-0.342) USER MOD Single : A 103 ASN : amide:sc= -3.15! C(o=-3.2!,f=-3.8!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 161:sc= 0.306 USER MOD ----------------------------------------------------------------- ATOM 142 N ASN A 13 -10.463 -4.819 10.157 1.00 0.00 N ATOM 143 CA ASN A 13 -10.954 -5.524 8.978 1.00 0.00 C ATOM 144 C ASN A 13 -9.973 -5.390 7.817 1.00 0.00 C ATOM 145 O ASN A 13 -10.376 -5.253 6.663 1.00 0.00 O ATOM 146 CB ASN A 13 -12.324 -4.982 8.568 1.00 0.00 C ATOM 147 CG ASN A 13 -13.381 -5.217 9.630 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.984 -6.288 9.695 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.609 -4.214 10.469 1.00 0.00 N ATOM 0 HA ASN A 13 -11.049 -6.580 9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.244 -3.913 8.369 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.636 -5.457 7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.308 -4.314 11.205 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.085 -3.344 10.378 1.00 0.00 H new ATOM 156 N GLY A 14 -8.681 -5.431 8.133 1.00 0.00 N ATOM 157 CA GLY A 14 -7.663 -5.314 7.106 1.00 0.00 C ATOM 158 C GLY A 14 -6.949 -6.625 6.844 1.00 0.00 C ATOM 159 O GLY A 14 -7.542 -7.697 6.961 1.00 0.00 O ATOM 0 H GLY A 14 -8.322 -5.543 9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.122 -4.963 6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.934 -4.561 7.405 1.00 0.00 H new ATOM 163 N ALA A 15 -5.671 -6.541 6.488 1.00 0.00 N ATOM 164 CA ALA A 15 -4.876 -7.730 6.209 1.00 0.00 C ATOM 165 C ALA A 15 -3.435 -7.548 6.676 1.00 0.00 C ATOM 166 O ALA A 15 -2.740 -6.633 6.234 1.00 0.00 O ATOM 167 CB ALA A 15 -4.914 -8.054 4.723 1.00 0.00 C ATOM 0 H ALA A 15 -5.164 -5.662 6.386 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.308 -8.564 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.316 -8.944 4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.944 -8.235 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.509 -7.215 4.157 1.00 0.00 H new ATOM 173 N ASP A 16 -2.994 -8.424 7.572 1.00 0.00 N ATOM 174 CA ASP A 16 -1.636 -8.360 8.099 1.00 0.00 C ATOM 175 C ASP A 16 -0.651 -9.032 7.146 1.00 0.00 C ATOM 176 O ASP A 16 -0.650 -10.255 6.999 1.00 0.00 O ATOM 177 CB ASP A 16 -1.568 -9.025 9.475 1.00 0.00 C ATOM 178 CG ASP A 16 -0.198 -8.900 10.111 1.00 0.00 C ATOM 179 OD1 ASP A 16 0.799 -9.257 9.448 1.00 0.00 O ATOM 180 OD2 ASP A 16 -0.122 -8.446 11.272 1.00 0.00 O ATOM 0 H ASP A 16 -3.557 -9.187 7.948 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.360 -7.310 8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.312 -8.573 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.826 -10.080 9.379 1.00 0.00 H new ATOM 185 N LEU A 17 0.183 -8.225 6.501 1.00 0.00 N ATOM 186 CA LEU A 17 1.173 -8.741 5.561 1.00 0.00 C ATOM 187 C LEU A 17 2.588 -8.531 6.090 1.00 0.00 C ATOM 188 O LEU A 17 2.865 -7.592 6.837 1.00 0.00 O ATOM 189 CB LEU A 17 1.018 -8.058 4.201 1.00 0.00 C ATOM 190 CG LEU A 17 -0.401 -7.629 3.823 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.366 -6.392 2.939 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.134 -8.765 3.126 1.00 0.00 C ATOM 0 H LEU A 17 0.194 -7.211 6.611 1.00 0.00 H new ATOM 0 HA LEU A 17 1.004 -9.812 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.659 -7.177 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.388 -8.736 3.432 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.941 -7.382 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.384 -6.101 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.120 -5.576 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.192 -6.611 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.142 -8.442 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.596 -9.044 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.191 -9.625 3.793 1.00 0.00 H new ATOM 204 N PRO A 18 3.507 -9.424 5.693 1.00 0.00 N ATOM 205 CA PRO A 18 4.910 -9.356 6.113 1.00 0.00 C ATOM 206 C PRO A 18 5.645 -8.175 5.489 1.00 0.00 C ATOM 207 O PRO A 18 6.646 -7.702 6.025 1.00 0.00 O ATOM 208 CB PRO A 18 5.495 -10.677 5.609 1.00 0.00 C ATOM 209 CG PRO A 18 4.625 -11.065 4.464 1.00 0.00 C ATOM 210 CD PRO A 18 3.247 -10.568 4.804 1.00 0.00 C ATOM 0 HA PRO A 18 5.007 -9.214 7.189 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.532 -10.556 5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.485 -11.438 6.390 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.982 -10.621 3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.626 -12.146 4.322 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.697 -10.267 3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.654 -11.336 5.300 1.00 0.00 H new ATOM 218 N ASN A 19 5.141 -7.703 4.353 1.00 0.00 N ATOM 219 CA ASN A 19 5.751 -6.577 3.656 1.00 0.00 C ATOM 220 C ASN A 19 5.230 -5.251 4.204 1.00 0.00 C ATOM 221 O ASN A 19 5.965 -4.266 4.274 1.00 0.00 O ATOM 222 CB ASN A 19 5.469 -6.666 2.155 1.00 0.00 C ATOM 223 CG ASN A 19 6.092 -7.896 1.522 1.00 0.00 C ATOM 224 OD1 ASN A 19 6.125 -8.969 2.125 1.00 0.00 O ATOM 225 ND2 ASN A 19 6.590 -7.744 0.300 1.00 0.00 N ATOM 0 H ASN A 19 4.312 -8.083 3.896 1.00 0.00 H new ATOM 0 HA ASN A 19 6.828 -6.621 3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.392 -6.682 1.991 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.853 -5.773 1.662 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.022 -8.536 -0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.540 -6.836 -0.162 1.00 0.00 H new ATOM 232 N TYR A 20 3.960 -5.236 4.592 1.00 0.00 N ATOM 233 CA TYR A 20 3.340 -4.032 5.132 1.00 0.00 C ATOM 234 C TYR A 20 1.957 -4.338 5.697 1.00 0.00 C ATOM 235 O TYR A 20 1.309 -5.303 5.294 1.00 0.00 O ATOM 236 CB TYR A 20 3.234 -2.957 4.048 1.00 0.00 C ATOM 237 CG TYR A 20 2.703 -3.476 2.731 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.360 -3.800 2.581 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.544 -3.643 1.638 1.00 0.00 C ATOM 240 CE1 TYR A 20 0.871 -4.275 1.379 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.062 -4.116 0.432 1.00 0.00 C ATOM 242 CZ TYR A 20 1.725 -4.430 0.308 1.00 0.00 C ATOM 243 OH TYR A 20 1.242 -4.903 -0.891 1.00 0.00 O ATOM 0 H TYR A 20 3.340 -6.044 4.543 1.00 0.00 H new ATOM 0 HA TYR A 20 3.969 -3.662 5.941 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.583 -2.158 4.403 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.218 -2.518 3.886 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.688 -3.679 3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.592 -3.399 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.175 -4.524 1.279 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.729 -4.239 -0.409 1.00 0.00 H new ATOM 0 HH TYR A 20 0.655 -5.670 -0.727 1.00 0.00 H new ATOM 253 N ARG A 21 1.511 -3.507 6.634 1.00 0.00 N ATOM 254 CA ARG A 21 0.205 -3.688 7.257 1.00 0.00 C ATOM 255 C ARG A 21 -0.724 -2.525 6.919 1.00 0.00 C ATOM 256 O ARG A 21 -0.323 -1.363 6.971 1.00 0.00 O ATOM 257 CB ARG A 21 0.352 -3.813 8.774 1.00 0.00 C ATOM 258 CG ARG A 21 1.027 -2.615 9.421 1.00 0.00 C ATOM 259 CD ARG A 21 1.122 -2.776 10.930 1.00 0.00 C ATOM 260 NE ARG A 21 -0.152 -2.505 11.591 1.00 0.00 N ATOM 261 CZ ARG A 21 -0.382 -2.754 12.875 1.00 0.00 C ATOM 262 NH1 ARG A 21 0.572 -3.277 13.633 1.00 0.00 N ATOM 263 NH2 ARG A 21 -1.568 -2.479 13.404 1.00 0.00 N ATOM 0 H ARG A 21 2.035 -2.702 6.978 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.232 -4.606 6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.635 -3.946 9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.927 -4.710 9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.026 -2.490 9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.468 -1.710 9.185 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.445 -3.790 11.167 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.883 -2.100 11.319 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.907 -2.102 11.036 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.485 -3.489 13.230 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.393 -3.467 14.619 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.304 -2.076 12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.743 -2.671 14.390 1.00 0.00 H new ATOM 277 N TRP A 22 -1.965 -2.847 6.574 1.00 0.00 N ATOM 278 CA TRP A 22 -2.951 -1.829 6.227 1.00 0.00 C ATOM 279 C TRP A 22 -4.334 -2.216 6.737 1.00 0.00 C ATOM 280 O TRP A 22 -4.735 -3.378 6.658 1.00 0.00 O ATOM 281 CB TRP A 22 -2.991 -1.624 4.712 1.00 0.00 C ATOM 282 CG TRP A 22 -3.465 -2.831 3.961 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.693 -3.735 3.290 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.821 -3.265 3.805 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.486 -4.704 2.725 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.796 -4.439 3.027 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.053 -2.777 4.248 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -5.955 -5.129 2.684 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.203 -3.463 3.906 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.148 -4.629 3.131 1.00 0.00 C ATOM 0 H TRP A 22 -2.313 -3.805 6.527 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.656 -0.895 6.705 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.646 -0.783 4.484 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.994 -1.356 4.362 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.616 -3.694 3.214 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.154 -5.493 2.171 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.106 -1.880 4.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.914 -6.027 2.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.161 -3.094 4.242 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.065 -5.143 2.882 1.00 0.00 H new ATOM 301 N THR A 23 -5.063 -1.235 7.261 1.00 0.00 N ATOM 302 CA THR A 23 -6.402 -1.472 7.785 1.00 0.00 C ATOM 303 C THR A 23 -7.438 -0.634 7.045 1.00 0.00 C ATOM 304 O THR A 23 -7.142 0.466 6.580 1.00 0.00 O ATOM 305 CB THR A 23 -6.481 -1.155 9.290 1.00 0.00 C ATOM 306 OG1 THR A 23 -5.973 0.160 9.541 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.691 -2.173 10.100 1.00 0.00 C ATOM 0 H THR A 23 -4.748 -0.268 7.334 1.00 0.00 H new ATOM 0 HA THR A 23 -6.618 -2.529 7.633 1.00 0.00 H new ATOM 0 HB THR A 23 -7.526 -1.204 9.595 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.028 0.355 10.500 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.762 -1.928 11.160 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.099 -3.169 9.930 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.646 -2.151 9.791 1.00 0.00 H new ATOM 315 N GLN A 24 -8.654 -1.162 6.941 1.00 0.00 N ATOM 316 CA GLN A 24 -9.734 -0.460 6.258 1.00 0.00 C ATOM 317 C GLN A 24 -10.980 -0.391 7.136 1.00 0.00 C ATOM 318 O GLN A 24 -11.345 -1.367 7.792 1.00 0.00 O ATOM 319 CB GLN A 24 -10.066 -1.155 4.936 1.00 0.00 C ATOM 320 CG GLN A 24 -10.820 -2.464 5.109 1.00 0.00 C ATOM 321 CD GLN A 24 -10.535 -3.453 3.996 1.00 0.00 C ATOM 322 OE1 GLN A 24 -10.004 -3.088 2.946 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.887 -4.714 4.219 1.00 0.00 N ATOM 0 H GLN A 24 -8.915 -2.072 7.320 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.400 0.557 6.053 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.662 -0.481 4.320 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.140 -1.348 4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.549 -2.911 6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.890 -2.261 5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.324 -4.973 5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.720 -5.424 3.506 1.00 0.00 H new ATOM 332 N THR A 25 -11.629 0.769 7.143 1.00 0.00 N ATOM 333 CA THR A 25 -12.832 0.966 7.941 1.00 0.00 C ATOM 334 C THR A 25 -13.895 1.725 7.155 1.00 0.00 C ATOM 335 O THR A 25 -13.577 2.563 6.310 1.00 0.00 O ATOM 336 CB THR A 25 -12.525 1.734 9.241 1.00 0.00 C ATOM 337 OG1 THR A 25 -12.096 3.065 8.933 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.449 1.023 10.048 1.00 0.00 C ATOM 0 H THR A 25 -11.341 1.586 6.605 1.00 0.00 H new ATOM 0 HA THR A 25 -13.209 -0.025 8.194 1.00 0.00 H new ATOM 0 HB THR A 25 -13.436 1.775 9.837 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.492 3.044 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.249 1.584 10.961 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.790 0.020 10.305 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.536 0.955 9.457 1.00 0.00 H new ATOM 346 N LEU A 26 -15.158 1.429 7.439 1.00 0.00 N ATOM 347 CA LEU A 26 -16.269 2.085 6.758 1.00 0.00 C ATOM 348 C LEU A 26 -15.991 3.572 6.569 1.00 0.00 C ATOM 349 O LEU A 26 -16.532 4.205 5.663 1.00 0.00 O ATOM 350 CB LEU A 26 -17.563 1.893 7.551 1.00 0.00 C ATOM 351 CG LEU A 26 -18.201 0.506 7.471 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.273 0.349 8.538 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.785 0.267 6.086 1.00 0.00 C ATOM 0 H LEU A 26 -15.439 0.739 8.136 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.381 1.628 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.360 2.118 8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.291 2.626 7.203 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.427 -0.240 7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.716 -0.644 8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.826 0.476 9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.046 1.103 8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.235 -0.725 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.546 1.019 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.993 0.336 5.340 1.00 0.00 H new ATOM 365 N ALA A 27 -15.141 4.124 7.430 1.00 0.00 N ATOM 366 CA ALA A 27 -14.787 5.536 7.355 1.00 0.00 C ATOM 367 C ALA A 27 -13.689 5.772 6.324 1.00 0.00 C ATOM 368 O ALA A 27 -13.921 6.398 5.290 1.00 0.00 O ATOM 369 CB ALA A 27 -14.349 6.043 8.721 1.00 0.00 C ATOM 0 H ALA A 27 -14.685 3.614 8.187 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.671 6.091 7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.087 7.099 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.164 5.918 9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.481 5.476 9.058 1.00 0.00 H new ATOM 375 N GLU A 28 -12.493 5.268 6.613 1.00 0.00 N ATOM 376 CA GLU A 28 -11.359 5.427 5.710 1.00 0.00 C ATOM 377 C GLU A 28 -10.400 4.246 5.827 1.00 0.00 C ATOM 378 O GLU A 28 -10.597 3.351 6.651 1.00 0.00 O ATOM 379 CB GLU A 28 -10.618 6.732 6.010 1.00 0.00 C ATOM 380 CG GLU A 28 -10.106 6.826 7.438 1.00 0.00 C ATOM 381 CD GLU A 28 -8.860 5.993 7.667 1.00 0.00 C ATOM 382 OE1 GLU A 28 -9.000 4.807 8.033 1.00 0.00 O ATOM 383 OE2 GLU A 28 -7.747 6.525 7.480 1.00 0.00 O ATOM 0 H GLU A 28 -12.285 4.747 7.465 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.742 5.462 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.776 6.828 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.285 7.572 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.891 7.868 7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.888 6.499 8.123 1.00 0.00 H new ATOM 390 N LEU A 29 -9.362 4.250 4.999 1.00 0.00 N ATOM 391 CA LEU A 29 -8.371 3.180 5.009 1.00 0.00 C ATOM 392 C LEU A 29 -7.019 3.693 5.494 1.00 0.00 C ATOM 393 O LEU A 29 -6.799 4.901 5.586 1.00 0.00 O ATOM 394 CB LEU A 29 -8.229 2.577 3.610 1.00 0.00 C ATOM 395 CG LEU A 29 -7.842 1.099 3.552 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.422 0.444 2.307 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.329 0.941 3.584 1.00 0.00 C ATOM 0 H LEU A 29 -9.184 4.983 4.312 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.713 2.408 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.175 2.705 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.480 3.150 3.064 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.257 0.600 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.136 -0.608 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.509 0.524 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.037 0.945 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.073 -0.118 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.891 1.455 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.937 1.373 4.505 1.00 0.00 H new ATOM 409 N ASP A 30 -6.116 2.768 5.800 1.00 0.00 N ATOM 410 CA ASP A 30 -4.784 3.127 6.273 1.00 0.00 C ATOM 411 C ASP A 30 -3.760 2.075 5.859 1.00 0.00 C ATOM 412 O ASP A 30 -4.056 0.879 5.837 1.00 0.00 O ATOM 413 CB ASP A 30 -4.785 3.286 7.794 1.00 0.00 C ATOM 414 CG ASP A 30 -5.617 4.467 8.252 1.00 0.00 C ATOM 415 OD1 ASP A 30 -5.375 5.590 7.760 1.00 0.00 O ATOM 416 OD2 ASP A 30 -6.510 4.270 9.102 1.00 0.00 O ATOM 0 H ASP A 30 -6.282 1.764 5.729 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.507 4.078 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.170 2.375 8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.760 3.410 8.144 1.00 0.00 H new ATOM 421 N LEU A 31 -2.554 2.527 5.531 1.00 0.00 N ATOM 422 CA LEU A 31 -1.485 1.625 5.117 1.00 0.00 C ATOM 423 C LEU A 31 -0.177 1.972 5.821 1.00 0.00 C ATOM 424 O LEU A 31 0.140 3.144 6.019 1.00 0.00 O ATOM 425 CB LEU A 31 -1.295 1.690 3.601 1.00 0.00 C ATOM 426 CG LEU A 31 0.109 1.370 3.086 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.390 -0.120 3.193 1.00 0.00 C ATOM 428 CD2 LEU A 31 0.271 1.844 1.649 1.00 0.00 C ATOM 0 H LEU A 31 -2.292 3.513 5.544 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.769 0.611 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.997 0.997 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.565 2.691 3.264 1.00 0.00 H new ATOM 0 HG LEU A 31 0.832 1.900 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.393 -0.329 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.317 -0.430 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.339 -0.671 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.276 1.608 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.461 1.342 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.114 2.922 1.601 1.00 0.00 H new ATOM 440 N ALA A 32 0.579 0.945 6.193 1.00 0.00 N ATOM 441 CA ALA A 32 1.855 1.141 6.870 1.00 0.00 C ATOM 442 C ALA A 32 2.946 0.278 6.246 1.00 0.00 C ATOM 443 O ALA A 32 2.981 -0.937 6.446 1.00 0.00 O ATOM 444 CB ALA A 32 1.719 0.833 8.354 1.00 0.00 C ATOM 0 H ALA A 32 0.330 -0.032 6.037 1.00 0.00 H new ATOM 0 HA ALA A 32 2.143 2.186 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.680 0.984 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.976 1.497 8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.404 -0.202 8.483 1.00 0.00 H new ATOM 450 N VAL A 33 3.836 0.912 5.489 1.00 0.00 N ATOM 451 CA VAL A 33 4.929 0.201 4.836 1.00 0.00 C ATOM 452 C VAL A 33 6.241 0.403 5.585 1.00 0.00 C ATOM 453 O VAL A 33 6.943 1.398 5.401 1.00 0.00 O ATOM 454 CB VAL A 33 5.107 0.663 3.378 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.268 -0.070 2.723 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.821 0.453 2.592 1.00 0.00 C ATOM 0 H VAL A 33 3.822 1.917 5.313 1.00 0.00 H new ATOM 0 HA VAL A 33 4.668 -0.857 4.845 1.00 0.00 H new ATOM 0 HB VAL A 33 5.336 1.729 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.378 0.270 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.186 0.137 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.073 -1.142 2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.965 0.785 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.559 -0.605 2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.017 1.029 3.050 1.00 0.00 H new ATOM 466 N PRO A 34 6.583 -0.562 6.452 1.00 0.00 N ATOM 467 CA PRO A 34 7.814 -0.514 7.246 1.00 0.00 C ATOM 468 C PRO A 34 9.063 -0.702 6.392 1.00 0.00 C ATOM 469 O PRO A 34 9.213 -1.716 5.709 1.00 0.00 O ATOM 470 CB PRO A 34 7.652 -1.681 8.222 1.00 0.00 C ATOM 471 CG PRO A 34 6.731 -2.627 7.532 1.00 0.00 C ATOM 472 CD PRO A 34 5.794 -1.776 6.722 1.00 0.00 C ATOM 0 HA PRO A 34 7.947 0.452 7.734 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.611 -2.151 8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.237 -1.347 9.173 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.285 -3.315 6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.183 -3.234 8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.494 -2.274 5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.881 -1.548 7.272 1.00 0.00 H new ATOM 480 N PHE A 35 9.958 0.279 6.435 1.00 0.00 N ATOM 481 CA PHE A 35 11.194 0.221 5.664 1.00 0.00 C ATOM 482 C PHE A 35 12.385 -0.086 6.568 1.00 0.00 C ATOM 483 O PHE A 35 12.631 0.617 7.549 1.00 0.00 O ATOM 484 CB PHE A 35 11.425 1.543 4.930 1.00 0.00 C ATOM 485 CG PHE A 35 10.540 1.725 3.730 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.773 1.011 2.566 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.474 2.610 3.767 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.961 1.177 1.461 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.658 2.780 2.664 1.00 0.00 C ATOM 490 CZ PHE A 35 8.901 2.062 1.510 1.00 0.00 C ATOM 0 H PHE A 35 9.850 1.124 6.996 1.00 0.00 H new ATOM 0 HA PHE A 35 11.099 -0.581 4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.258 2.368 5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.467 1.597 4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.599 0.317 2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.279 3.173 4.668 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.155 0.615 0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.831 3.474 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.264 2.192 0.648 1.00 0.00 H new ATOM 500 N ARG A 36 13.119 -1.142 6.231 1.00 0.00 N ATOM 501 CA ARG A 36 14.282 -1.544 7.013 1.00 0.00 C ATOM 502 C ARG A 36 15.410 -0.526 6.871 1.00 0.00 C ATOM 503 O ARG A 36 16.432 -0.800 6.241 1.00 0.00 O ATOM 504 CB ARG A 36 14.768 -2.925 6.570 1.00 0.00 C ATOM 505 CG ARG A 36 15.719 -3.582 7.557 1.00 0.00 C ATOM 506 CD ARG A 36 15.610 -5.098 7.510 1.00 0.00 C ATOM 507 NE ARG A 36 16.462 -5.739 8.509 1.00 0.00 N ATOM 508 CZ ARG A 36 16.243 -6.958 8.988 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.205 -7.665 8.562 1.00 0.00 N ATOM 510 NH2 ARG A 36 17.063 -7.473 9.896 1.00 0.00 N ATOM 0 H ARG A 36 12.929 -1.734 5.422 1.00 0.00 H new ATOM 0 HA ARG A 36 13.986 -1.590 8.061 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.905 -3.574 6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.266 -2.833 5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.743 -3.283 7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.498 -3.231 8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.574 -5.392 7.675 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.887 -5.451 6.517 1.00 0.00 H new ATOM 0 HE ARG A 36 17.269 -5.222 8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.572 -7.273 7.865 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.039 -8.601 8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.862 -6.932 10.226 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.894 -8.409 10.263 1.00 0.00 H new ATOM 524 N VAL A 37 15.218 0.649 7.461 1.00 0.00 N ATOM 525 CA VAL A 37 16.219 1.707 7.401 1.00 0.00 C ATOM 526 C VAL A 37 16.790 2.003 8.784 1.00 0.00 C ATOM 527 O VAL A 37 16.094 1.882 9.792 1.00 0.00 O ATOM 528 CB VAL A 37 15.631 3.004 6.813 1.00 0.00 C ATOM 529 CG1 VAL A 37 15.107 2.762 5.406 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.532 3.546 7.714 1.00 0.00 C ATOM 0 H VAL A 37 14.378 0.892 7.986 1.00 0.00 H new ATOM 0 HA VAL A 37 17.017 1.350 6.750 1.00 0.00 H new ATOM 0 HB VAL A 37 16.424 3.750 6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.695 3.689 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.922 2.422 4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.327 2.001 5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.128 4.462 7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.737 2.806 7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.943 3.759 8.701 1.00 0.00 H new ATOM 540 N SER A 38 18.061 2.390 8.823 1.00 0.00 N ATOM 541 CA SER A 38 18.727 2.700 10.082 1.00 0.00 C ATOM 542 C SER A 38 18.933 4.204 10.232 1.00 0.00 C ATOM 543 O SER A 38 19.752 4.654 11.034 1.00 0.00 O ATOM 544 CB SER A 38 20.074 1.979 10.162 1.00 0.00 C ATOM 545 OG SER A 38 19.926 0.683 10.716 1.00 0.00 O ATOM 0 H SER A 38 18.650 2.496 7.997 1.00 0.00 H new ATOM 0 HA SER A 38 18.089 2.355 10.896 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.510 1.905 9.166 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.766 2.561 10.770 1.00 0.00 H new ATOM 0 HG SER A 38 20.800 0.242 10.755 1.00 0.00 H new ATOM 551 N PHE A 39 18.183 4.978 9.454 1.00 0.00 N ATOM 552 CA PHE A 39 18.283 6.433 9.499 1.00 0.00 C ATOM 553 C PHE A 39 16.904 7.076 9.388 1.00 0.00 C ATOM 554 O PHE A 39 15.890 6.384 9.299 1.00 0.00 O ATOM 555 CB PHE A 39 19.186 6.937 8.371 1.00 0.00 C ATOM 556 CG PHE A 39 18.766 6.464 7.009 1.00 0.00 C ATOM 557 CD1 PHE A 39 19.187 5.235 6.528 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.949 7.248 6.210 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.803 4.797 5.275 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.561 6.815 4.956 1.00 0.00 C ATOM 561 CZ PHE A 39 17.988 5.588 4.488 1.00 0.00 C ATOM 0 H PHE A 39 17.500 4.623 8.785 1.00 0.00 H new ATOM 0 HA PHE A 39 18.719 6.714 10.458 1.00 0.00 H new ATOM 0 HB2 PHE A 39 19.193 8.027 8.382 1.00 0.00 H new ATOM 0 HB3 PHE A 39 20.208 6.610 8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.823 4.612 7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.612 8.208 6.571 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.140 3.837 4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.925 7.436 4.343 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.686 5.247 3.509 1.00 0.00 H new ATOM 571 N ARG A 40 16.876 8.405 9.395 1.00 0.00 N ATOM 572 CA ARG A 40 15.622 9.143 9.297 1.00 0.00 C ATOM 573 C ARG A 40 15.184 9.280 7.842 1.00 0.00 C ATOM 574 O ARG A 40 15.983 9.634 6.973 1.00 0.00 O ATOM 575 CB ARG A 40 15.770 10.528 9.929 1.00 0.00 C ATOM 576 CG ARG A 40 14.476 11.073 10.511 1.00 0.00 C ATOM 577 CD ARG A 40 14.739 11.972 11.709 1.00 0.00 C ATOM 578 NE ARG A 40 15.395 11.254 12.799 1.00 0.00 N ATOM 579 CZ ARG A 40 14.757 10.435 13.628 1.00 0.00 C ATOM 580 NH1 ARG A 40 13.454 10.232 13.492 1.00 0.00 N ATOM 581 NH2 ARG A 40 15.423 9.818 14.596 1.00 0.00 N ATOM 0 H ARG A 40 17.707 8.992 9.467 1.00 0.00 H new ATOM 0 HA ARG A 40 14.858 8.584 9.837 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.521 10.480 10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.142 11.224 9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.939 11.633 9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.833 10.245 10.810 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.362 12.812 11.402 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.796 12.387 12.064 1.00 0.00 H new ATOM 0 HE ARG A 40 16.397 11.389 12.931 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.939 10.705 12.750 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.967 9.603 14.130 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.425 9.972 14.704 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.932 9.189 15.232 1.00 0.00 H new ATOM 595 N LEU A 41 13.912 8.998 7.583 1.00 0.00 N ATOM 596 CA LEU A 41 13.368 9.090 6.233 1.00 0.00 C ATOM 597 C LEU A 41 12.878 10.504 5.938 1.00 0.00 C ATOM 598 O LEU A 41 12.215 11.129 6.766 1.00 0.00 O ATOM 599 CB LEU A 41 12.221 8.094 6.055 1.00 0.00 C ATOM 600 CG LEU A 41 12.615 6.617 6.008 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.380 5.732 6.071 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.422 6.321 4.752 1.00 0.00 C ATOM 0 H LEU A 41 13.238 8.704 8.290 1.00 0.00 H new ATOM 0 HA LEU A 41 14.165 8.847 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.514 8.235 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.694 8.338 5.133 1.00 0.00 H new ATOM 0 HG LEU A 41 13.237 6.399 6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.681 4.685 6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.841 5.924 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.731 5.952 5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.694 5.266 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.824 6.556 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.327 6.929 4.749 1.00 0.00 H new ATOM 614 N LYS A 42 13.208 11.003 4.751 1.00 0.00 N ATOM 615 CA LYS A 42 12.800 12.343 4.344 1.00 0.00 C ATOM 616 C LYS A 42 11.734 12.279 3.254 1.00 0.00 C ATOM 617 O LYS A 42 11.785 11.422 2.373 1.00 0.00 O ATOM 618 CB LYS A 42 14.009 13.137 3.844 1.00 0.00 C ATOM 619 CG LYS A 42 15.102 13.300 4.886 1.00 0.00 C ATOM 620 CD LYS A 42 14.742 14.361 5.911 1.00 0.00 C ATOM 621 CE LYS A 42 15.763 14.419 7.037 1.00 0.00 C ATOM 622 NZ LYS A 42 15.250 15.172 8.214 1.00 0.00 N ATOM 0 H LYS A 42 13.757 10.500 4.054 1.00 0.00 H new ATOM 0 HA LYS A 42 12.377 12.847 5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.424 12.638 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.677 14.123 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.270 12.348 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 42 16.037 13.570 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.682 15.334 5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.756 14.150 6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.026 13.406 7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.677 14.890 6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.976 15.188 8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.023 16.146 7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.393 14.708 8.576 1.00 0.00 H new ATOM 636 N GLY A 43 10.770 13.192 3.321 1.00 0.00 N ATOM 637 CA GLY A 43 9.707 13.222 2.334 1.00 0.00 C ATOM 638 C GLY A 43 10.215 12.974 0.927 1.00 0.00 C ATOM 639 O GLY A 43 9.519 12.381 0.103 1.00 0.00 O ATOM 0 H GLY A 43 10.706 13.911 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.960 12.469 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.208 14.190 2.371 1.00 0.00 H new ATOM 643 N LYS A 44 11.433 13.429 0.651 1.00 0.00 N ATOM 644 CA LYS A 44 12.035 13.254 -0.666 1.00 0.00 C ATOM 645 C LYS A 44 12.566 11.834 -0.837 1.00 0.00 C ATOM 646 O LYS A 44 12.519 11.271 -1.931 1.00 0.00 O ATOM 647 CB LYS A 44 13.168 14.262 -0.869 1.00 0.00 C ATOM 648 CG LYS A 44 14.296 14.119 0.138 1.00 0.00 C ATOM 649 CD LYS A 44 14.992 15.447 0.387 1.00 0.00 C ATOM 650 CE LYS A 44 15.787 15.425 1.684 1.00 0.00 C ATOM 651 NZ LYS A 44 17.137 14.825 1.496 1.00 0.00 N ATOM 0 H LYS A 44 12.023 13.922 1.322 1.00 0.00 H new ATOM 0 HA LYS A 44 11.264 13.427 -1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.572 14.144 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.761 15.271 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.900 13.733 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.020 13.390 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.658 15.671 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.251 16.246 0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.891 16.441 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.239 14.858 2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.648 14.828 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.038 13.847 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.670 15.381 0.797 1.00 0.00 H new ATOM 665 N ASP A 45 13.069 11.261 0.251 1.00 0.00 N ATOM 666 CA ASP A 45 13.606 9.905 0.221 1.00 0.00 C ATOM 667 C ASP A 45 12.537 8.906 -0.209 1.00 0.00 C ATOM 668 O ASP A 45 12.801 7.998 -0.997 1.00 0.00 O ATOM 669 CB ASP A 45 14.156 9.522 1.596 1.00 0.00 C ATOM 670 CG ASP A 45 15.100 8.337 1.532 1.00 0.00 C ATOM 671 OD1 ASP A 45 14.923 7.485 0.636 1.00 0.00 O ATOM 672 OD2 ASP A 45 16.016 8.263 2.377 1.00 0.00 O ATOM 0 H ASP A 45 13.116 11.714 1.164 1.00 0.00 H new ATOM 0 HA ASP A 45 14.417 9.877 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.679 10.376 2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.327 9.287 2.263 1.00 0.00 H new ATOM 677 N VAL A 46 11.327 9.079 0.315 1.00 0.00 N ATOM 678 CA VAL A 46 10.217 8.193 -0.014 1.00 0.00 C ATOM 679 C VAL A 46 9.406 8.739 -1.184 1.00 0.00 C ATOM 680 O VAL A 46 9.440 9.936 -1.472 1.00 0.00 O ATOM 681 CB VAL A 46 9.284 7.989 1.194 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.037 7.348 2.349 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.667 9.314 1.618 1.00 0.00 C ATOM 0 H VAL A 46 11.091 9.825 0.969 1.00 0.00 H new ATOM 0 HA VAL A 46 10.651 7.233 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 46 8.479 7.316 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.361 7.212 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.427 6.379 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.864 7.993 2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.010 9.153 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.458 10.012 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.091 9.728 0.791 1.00 0.00 H new ATOM 693 N VAL A 47 8.676 7.854 -1.855 1.00 0.00 N ATOM 694 CA VAL A 47 7.853 8.248 -2.993 1.00 0.00 C ATOM 695 C VAL A 47 6.446 7.674 -2.878 1.00 0.00 C ATOM 696 O VAL A 47 6.226 6.487 -3.120 1.00 0.00 O ATOM 697 CB VAL A 47 8.478 7.786 -4.323 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.626 8.239 -5.499 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.901 8.307 -4.453 1.00 0.00 C ATOM 0 H VAL A 47 8.637 6.860 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 47 7.799 9.337 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 47 8.513 6.697 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.083 7.904 -6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.627 7.812 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.556 9.327 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.327 7.971 -5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.893 9.397 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.504 7.927 -3.628 1.00 0.00 H new ATOM 709 N VAL A 48 5.494 8.525 -2.508 1.00 0.00 N ATOM 710 CA VAL A 48 4.106 8.103 -2.363 1.00 0.00 C ATOM 711 C VAL A 48 3.184 8.932 -3.251 1.00 0.00 C ATOM 712 O VAL A 48 3.025 10.135 -3.047 1.00 0.00 O ATOM 713 CB VAL A 48 3.634 8.220 -0.902 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.129 8.020 -0.809 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.368 7.219 -0.023 1.00 0.00 C ATOM 0 H VAL A 48 5.659 9.511 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 48 4.059 7.058 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 48 3.866 9.223 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.814 8.106 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.623 8.780 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.869 7.031 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.022 7.316 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.170 6.208 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.439 7.415 -0.065 1.00 0.00 H new ATOM 725 N ASP A 49 2.578 8.279 -4.237 1.00 0.00 N ATOM 726 CA ASP A 49 1.669 8.955 -5.156 1.00 0.00 C ATOM 727 C ASP A 49 0.226 8.529 -4.905 1.00 0.00 C ATOM 728 O ASP A 49 -0.167 7.409 -5.233 1.00 0.00 O ATOM 729 CB ASP A 49 2.058 8.653 -6.604 1.00 0.00 C ATOM 730 CG ASP A 49 1.542 9.700 -7.572 1.00 0.00 C ATOM 731 OD1 ASP A 49 1.634 10.903 -7.249 1.00 0.00 O ATOM 732 OD2 ASP A 49 1.046 9.316 -8.652 1.00 0.00 O ATOM 0 H ASP A 49 2.700 7.283 -4.420 1.00 0.00 H new ATOM 0 HA ASP A 49 1.747 10.028 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.144 8.595 -6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.666 7.676 -6.887 1.00 0.00 H new ATOM 737 N ILE A 50 -0.558 9.429 -4.322 1.00 0.00 N ATOM 738 CA ILE A 50 -1.957 9.147 -4.027 1.00 0.00 C ATOM 739 C ILE A 50 -2.872 9.715 -5.106 1.00 0.00 C ATOM 740 O ILE A 50 -2.783 10.893 -5.451 1.00 0.00 O ATOM 741 CB ILE A 50 -2.372 9.725 -2.661 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.490 9.151 -1.550 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.839 9.431 -2.385 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.462 10.004 -0.301 1.00 0.00 C ATOM 0 H ILE A 50 -0.248 10.360 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.061 8.062 -4.000 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.236 10.806 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.847 8.154 -1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.473 9.038 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.117 9.846 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.453 9.883 -3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.999 8.353 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.818 9.537 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.076 10.994 -0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.472 10.096 0.099 1.00 0.00 H new ATOM 756 N GLN A 51 -3.751 8.869 -5.634 1.00 0.00 N ATOM 757 CA GLN A 51 -4.683 9.288 -6.674 1.00 0.00 C ATOM 758 C GLN A 51 -6.117 8.929 -6.297 1.00 0.00 C ATOM 759 O GLN A 51 -6.373 8.428 -5.202 1.00 0.00 O ATOM 760 CB GLN A 51 -4.316 8.638 -8.010 1.00 0.00 C ATOM 761 CG GLN A 51 -3.066 9.222 -8.648 1.00 0.00 C ATOM 762 CD GLN A 51 -3.038 9.037 -10.152 1.00 0.00 C ATOM 763 OE1 GLN A 51 -3.479 8.011 -10.671 1.00 0.00 O ATOM 764 NE2 GLN A 51 -2.519 10.032 -10.861 1.00 0.00 N ATOM 0 H GLN A 51 -3.837 7.891 -5.359 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.613 10.371 -6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.170 7.569 -7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.152 8.749 -8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.007 10.285 -8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.186 8.751 -8.211 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.165 10.864 -10.389 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.474 9.964 -11.878 1.00 0.00 H new ATOM 773 N ARG A 52 -7.046 9.189 -7.210 1.00 0.00 N ATOM 774 CA ARG A 52 -8.454 8.895 -6.972 1.00 0.00 C ATOM 775 C ARG A 52 -8.675 7.395 -6.805 1.00 0.00 C ATOM 776 O ARG A 52 -9.269 6.951 -5.821 1.00 0.00 O ATOM 777 CB ARG A 52 -9.309 9.422 -8.126 1.00 0.00 C ATOM 778 CG ARG A 52 -10.805 9.297 -7.883 1.00 0.00 C ATOM 779 CD ARG A 52 -11.240 10.098 -6.666 1.00 0.00 C ATOM 780 NE ARG A 52 -12.618 10.565 -6.782 1.00 0.00 N ATOM 781 CZ ARG A 52 -12.999 11.531 -7.611 1.00 0.00 C ATOM 782 NH1 ARG A 52 -12.110 12.128 -8.392 1.00 0.00 N ATOM 783 NH2 ARG A 52 -14.273 11.901 -7.660 1.00 0.00 N ATOM 0 H ARG A 52 -6.850 9.603 -8.121 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.753 9.394 -6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.064 10.470 -8.299 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.051 8.880 -9.035 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.348 9.645 -8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.065 8.248 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.140 9.482 -5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.577 10.954 -6.539 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.327 10.126 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.130 11.846 -8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.406 12.869 -9.027 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.960 11.444 -7.061 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.565 12.643 -8.297 1.00 0.00 H new ATOM 797 N ARG A 53 -8.195 6.620 -7.771 1.00 0.00 N ATOM 798 CA ARG A 53 -8.341 5.170 -7.731 1.00 0.00 C ATOM 799 C ARG A 53 -6.996 4.481 -7.939 1.00 0.00 C ATOM 800 O ARG A 53 -6.924 3.396 -8.517 1.00 0.00 O ATOM 801 CB ARG A 53 -9.334 4.706 -8.800 1.00 0.00 C ATOM 802 CG ARG A 53 -10.093 3.445 -8.420 1.00 0.00 C ATOM 803 CD ARG A 53 -11.340 3.269 -9.271 1.00 0.00 C ATOM 804 NE ARG A 53 -11.072 2.499 -10.483 1.00 0.00 N ATOM 805 CZ ARG A 53 -11.808 2.583 -11.585 1.00 0.00 C ATOM 806 NH1 ARG A 53 -12.851 3.400 -11.629 1.00 0.00 N ATOM 807 NH2 ARG A 53 -11.501 1.850 -12.648 1.00 0.00 N ATOM 0 H ARG A 53 -7.701 6.972 -8.591 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.721 4.896 -6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.049 5.506 -8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.796 4.529 -9.731 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.444 2.578 -8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.373 3.490 -7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.110 2.767 -8.686 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.734 4.248 -9.543 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.276 1.862 -10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.090 3.966 -10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.415 3.462 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.699 1.221 -12.619 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.067 1.916 -13.494 1.00 0.00 H new ATOM 821 N HIS A 54 -5.930 5.120 -7.465 1.00 0.00 N ATOM 822 CA HIS A 54 -4.586 4.569 -7.599 1.00 0.00 C ATOM 823 C HIS A 54 -3.677 5.080 -6.486 1.00 0.00 C ATOM 824 O HIS A 54 -3.731 6.253 -6.114 1.00 0.00 O ATOM 825 CB HIS A 54 -3.997 4.932 -8.962 1.00 0.00 C ATOM 826 CG HIS A 54 -2.781 4.134 -9.321 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.554 4.707 -9.579 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.609 2.799 -9.463 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.679 3.759 -9.865 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.294 2.592 -9.801 1.00 0.00 N ATOM 0 H HIS A 54 -5.971 6.019 -6.985 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.654 3.484 -7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.758 4.784 -9.728 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.741 5.991 -8.967 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.365 2.038 -9.334 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.362 3.912 -10.109 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.862 1.684 -9.974 1.00 0.00 H new ATOM 839 N LEU A 55 -2.842 4.192 -5.957 1.00 0.00 N ATOM 840 CA LEU A 55 -1.920 4.553 -4.885 1.00 0.00 C ATOM 841 C LEU A 55 -0.588 3.827 -5.045 1.00 0.00 C ATOM 842 O LEU A 55 -0.549 2.659 -5.430 1.00 0.00 O ATOM 843 CB LEU A 55 -2.534 4.221 -3.524 1.00 0.00 C ATOM 844 CG LEU A 55 -1.566 4.185 -2.341 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.989 5.568 -2.081 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.263 3.653 -1.098 1.00 0.00 C ATOM 0 H LEU A 55 -2.784 3.217 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.737 5.626 -4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.311 4.955 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.024 3.250 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.745 3.512 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.302 5.523 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.453 5.911 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.798 6.263 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.559 3.634 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.104 4.300 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.626 2.643 -1.289 1.00 0.00 H new ATOM 858 N ARG A 56 0.501 4.527 -4.745 1.00 0.00 N ATOM 859 CA ARG A 56 1.835 3.949 -4.855 1.00 0.00 C ATOM 860 C ARG A 56 2.711 4.377 -3.681 1.00 0.00 C ATOM 861 O ARG A 56 2.582 5.489 -3.169 1.00 0.00 O ATOM 862 CB ARG A 56 2.489 4.369 -6.173 1.00 0.00 C ATOM 863 CG ARG A 56 3.889 3.808 -6.364 1.00 0.00 C ATOM 864 CD ARG A 56 4.726 4.695 -7.272 1.00 0.00 C ATOM 865 NE ARG A 56 4.284 4.627 -8.662 1.00 0.00 N ATOM 866 CZ ARG A 56 5.055 4.947 -9.695 1.00 0.00 C ATOM 867 NH1 ARG A 56 6.301 5.356 -9.495 1.00 0.00 N ATOM 868 NH2 ARG A 56 4.582 4.859 -10.931 1.00 0.00 N ATOM 0 H ARG A 56 0.486 5.495 -4.424 1.00 0.00 H new ATOM 0 HA ARG A 56 1.736 2.864 -4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.860 4.043 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.534 5.457 -6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.379 3.712 -5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.826 2.807 -6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.669 5.726 -6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.772 4.394 -7.209 1.00 0.00 H new ATOM 0 HE ARG A 56 3.331 4.317 -8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.669 5.425 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.891 5.601 -10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.625 4.545 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.176 5.105 -11.723 1.00 0.00 H new ATOM 882 N VAL A 57 3.602 3.485 -3.259 1.00 0.00 N ATOM 883 CA VAL A 57 4.500 3.770 -2.146 1.00 0.00 C ATOM 884 C VAL A 57 5.849 3.088 -2.340 1.00 0.00 C ATOM 885 O VAL A 57 5.924 1.967 -2.842 1.00 0.00 O ATOM 886 CB VAL A 57 3.894 3.313 -0.805 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.885 3.528 0.329 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.591 4.048 -0.532 1.00 0.00 C ATOM 0 H VAL A 57 3.721 2.559 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 57 4.643 4.850 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 57 3.677 2.247 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.440 3.200 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.790 2.952 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.136 4.586 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.177 3.713 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.781 5.120 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.880 3.838 -1.331 1.00 0.00 H new ATOM 898 N GLY A 58 6.916 3.772 -1.937 1.00 0.00 N ATOM 899 CA GLY A 58 8.250 3.216 -2.075 1.00 0.00 C ATOM 900 C GLY A 58 9.333 4.215 -1.719 1.00 0.00 C ATOM 901 O GLY A 58 9.125 5.099 -0.887 1.00 0.00 O ATOM 0 H GLY A 58 6.880 4.701 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.343 2.339 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.395 2.877 -3.101 1.00 0.00 H new ATOM 905 N LEU A 59 10.495 4.074 -2.349 1.00 0.00 N ATOM 906 CA LEU A 59 11.617 4.970 -2.093 1.00 0.00 C ATOM 907 C LEU A 59 12.283 5.395 -3.398 1.00 0.00 C ATOM 908 O LEU A 59 12.498 4.577 -4.293 1.00 0.00 O ATOM 909 CB LEU A 59 12.641 4.290 -1.182 1.00 0.00 C ATOM 910 CG LEU A 59 12.109 3.768 0.153 1.00 0.00 C ATOM 911 CD1 LEU A 59 12.927 2.575 0.623 1.00 0.00 C ATOM 912 CD2 LEU A 59 12.122 4.872 1.201 1.00 0.00 C ATOM 0 H LEU A 59 10.684 3.348 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 59 11.233 5.861 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.083 3.455 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.444 4.999 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 59 11.079 3.443 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.534 2.217 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.867 1.778 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.967 2.874 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.740 4.482 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.143 5.228 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.493 5.697 0.868 1.00 0.00 H new ATOM 924 N LYS A 60 12.609 6.679 -3.499 1.00 0.00 N ATOM 925 CA LYS A 60 13.254 7.213 -4.692 1.00 0.00 C ATOM 926 C LYS A 60 14.298 6.238 -5.229 1.00 0.00 C ATOM 927 O LYS A 60 15.076 5.666 -4.468 1.00 0.00 O ATOM 928 CB LYS A 60 13.911 8.560 -4.382 1.00 0.00 C ATOM 929 CG LYS A 60 13.960 9.501 -5.574 1.00 0.00 C ATOM 930 CD LYS A 60 13.915 10.956 -5.137 1.00 0.00 C ATOM 931 CE LYS A 60 13.667 11.884 -6.316 1.00 0.00 C ATOM 932 NZ LYS A 60 14.925 12.205 -7.045 1.00 0.00 N ATOM 0 H LYS A 60 12.437 7.369 -2.768 1.00 0.00 H new ATOM 0 HA LYS A 60 12.489 7.356 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.366 9.043 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.926 8.386 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.871 9.319 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.121 9.293 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.128 11.090 -4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.856 11.222 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.959 11.418 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.208 12.807 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.713 12.840 -7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.592 12.672 -6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.351 11.327 -7.406 1.00 0.00 H new ATOM 946 N GLY A 61 14.309 6.056 -6.546 1.00 0.00 N ATOM 947 CA GLY A 61 15.262 5.151 -7.162 1.00 0.00 C ATOM 948 C GLY A 61 14.872 3.696 -6.993 1.00 0.00 C ATOM 949 O GLY A 61 14.859 2.935 -7.960 1.00 0.00 O ATOM 0 H GLY A 61 13.675 6.519 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.343 5.381 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.247 5.313 -6.725 1.00 0.00 H new ATOM 953 N GLN A 62 14.557 3.309 -5.761 1.00 0.00 N ATOM 954 CA GLN A 62 14.169 1.934 -5.469 1.00 0.00 C ATOM 955 C GLN A 62 12.767 1.642 -5.993 1.00 0.00 C ATOM 956 O GLN A 62 11.973 2.547 -6.251 1.00 0.00 O ATOM 957 CB GLN A 62 14.228 1.675 -3.963 1.00 0.00 C ATOM 958 CG GLN A 62 15.584 1.186 -3.482 1.00 0.00 C ATOM 959 CD GLN A 62 15.758 1.328 -1.983 1.00 0.00 C ATOM 960 OE1 GLN A 62 16.433 2.243 -1.509 1.00 0.00 O ATOM 961 NE2 GLN A 62 15.149 0.422 -1.227 1.00 0.00 N ATOM 0 H GLN A 62 14.563 3.927 -4.950 1.00 0.00 H new ATOM 0 HA GLN A 62 14.871 1.269 -5.973 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.974 2.594 -3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.471 0.937 -3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.708 0.140 -3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.369 1.746 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.600 -0.319 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.230 0.467 -0.211 1.00 0.00 H new ATOM 970 N PRO A 63 12.453 0.348 -6.155 1.00 0.00 N ATOM 971 CA PRO A 63 11.146 -0.094 -6.650 1.00 0.00 C ATOM 972 C PRO A 63 10.031 0.151 -5.639 1.00 0.00 C ATOM 973 O PRO A 63 10.225 0.050 -4.428 1.00 0.00 O ATOM 974 CB PRO A 63 11.341 -1.595 -6.877 1.00 0.00 C ATOM 975 CG PRO A 63 12.441 -1.979 -5.949 1.00 0.00 C ATOM 976 CD PRO A 63 13.350 -0.784 -5.868 1.00 0.00 C ATOM 0 HA PRO A 63 10.844 0.450 -7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.428 -2.150 -6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.605 -1.808 -7.913 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.049 -2.239 -4.966 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.977 -2.853 -6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.808 -0.694 -4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.162 -0.847 -6.593 1.00 0.00 H new ATOM 984 N PRO A 64 8.833 0.480 -6.146 1.00 0.00 N ATOM 985 CA PRO A 64 7.663 0.745 -5.304 1.00 0.00 C ATOM 986 C PRO A 64 7.138 -0.516 -4.627 1.00 0.00 C ATOM 987 O PRO A 64 6.726 -1.465 -5.294 1.00 0.00 O ATOM 988 CB PRO A 64 6.630 1.290 -6.294 1.00 0.00 C ATOM 989 CG PRO A 64 7.030 0.720 -7.611 1.00 0.00 C ATOM 990 CD PRO A 64 8.530 0.619 -7.580 1.00 0.00 C ATOM 0 HA PRO A 64 7.895 1.430 -4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.620 0.984 -6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.639 2.380 -6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.576 -0.259 -7.767 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.699 1.359 -8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.887 -0.238 -8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.001 1.505 -8.006 1.00 0.00 H new ATOM 998 N VAL A 65 7.156 -0.520 -3.298 1.00 0.00 N ATOM 999 CA VAL A 65 6.680 -1.664 -2.530 1.00 0.00 C ATOM 1000 C VAL A 65 5.204 -1.932 -2.800 1.00 0.00 C ATOM 1001 O VAL A 65 4.788 -3.080 -2.956 1.00 0.00 O ATOM 1002 CB VAL A 65 6.884 -1.450 -1.019 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.369 -2.648 -0.235 1.00 0.00 C ATOM 1004 CG2 VAL A 65 8.351 -1.192 -0.711 1.00 0.00 C ATOM 0 H VAL A 65 7.495 0.257 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 65 7.267 -2.525 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 65 6.312 -0.574 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.522 -2.478 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.305 -2.782 -0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.910 -3.543 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.477 -1.043 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.946 -2.048 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.683 -0.300 -1.243 1.00 0.00 H new ATOM 1014 N VAL A 66 4.415 -0.863 -2.854 1.00 0.00 N ATOM 1015 CA VAL A 66 2.984 -0.982 -3.107 1.00 0.00 C ATOM 1016 C VAL A 66 2.600 -0.309 -4.420 1.00 0.00 C ATOM 1017 O VAL A 66 2.687 0.912 -4.552 1.00 0.00 O ATOM 1018 CB VAL A 66 2.159 -0.361 -1.964 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.677 -0.370 -2.309 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.415 -1.101 -0.660 1.00 0.00 C ATOM 0 H VAL A 66 4.743 0.094 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 66 2.761 -2.047 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 66 2.471 0.675 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.110 0.072 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.512 0.208 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.346 -1.397 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.824 -0.649 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.131 -2.147 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.473 -1.038 -0.407 1.00 0.00 H new ATOM 1030 N ASP A 67 2.175 -1.113 -5.388 1.00 0.00 N ATOM 1031 CA ASP A 67 1.776 -0.595 -6.692 1.00 0.00 C ATOM 1032 C ASP A 67 0.612 -1.399 -7.262 1.00 0.00 C ATOM 1033 O ASP A 67 0.785 -2.534 -7.705 1.00 0.00 O ATOM 1034 CB ASP A 67 2.959 -0.629 -7.661 1.00 0.00 C ATOM 1035 CG ASP A 67 2.595 -0.101 -9.036 1.00 0.00 C ATOM 1036 OD1 ASP A 67 1.595 -0.580 -9.610 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.311 0.791 -9.536 1.00 0.00 O ATOM 0 H ASP A 67 2.098 -2.126 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 67 1.452 0.438 -6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.777 -0.036 -7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.321 -1.653 -7.752 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.576 -0.802 -7.248 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.752 -1.478 -7.766 1.00 0.00 C ATOM 1044 C GLY A 68 -3.002 -0.628 -7.660 1.00 0.00 C ATOM 1045 O GLY A 68 -3.121 0.203 -6.760 1.00 0.00 O ATOM 0 H GLY A 68 -0.745 0.137 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.584 -1.744 -8.810 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.902 -2.409 -7.220 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.937 -0.835 -8.582 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.184 -0.079 -8.589 1.00 0.00 C ATOM 1051 C GLU A 69 -5.927 -0.243 -7.266 1.00 0.00 C ATOM 1052 O GLU A 69 -5.958 -1.331 -6.689 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.075 -0.532 -9.747 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.499 -0.011 -9.659 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.453 -0.762 -10.569 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -8.116 -0.947 -11.757 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -9.535 -1.163 -10.093 1.00 0.00 O ATOM 0 H GLU A 69 -3.855 -1.520 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.939 0.975 -8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.633 -0.199 -10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.097 -1.621 -9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.848 -0.090 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.511 1.047 -9.920 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.524 0.845 -6.791 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.267 0.823 -5.536 1.00 0.00 C ATOM 1066 C LEU A 70 -8.619 0.139 -5.716 1.00 0.00 C ATOM 1067 O LEU A 70 -9.291 0.327 -6.730 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.468 2.247 -5.015 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.232 2.928 -4.427 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.431 4.434 -4.363 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.922 2.370 -3.045 1.00 0.00 C ATOM 0 H LEU A 70 -6.508 1.753 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.687 0.255 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.842 2.862 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.245 2.226 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.383 2.722 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.541 4.901 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.603 4.821 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.292 4.661 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.039 2.866 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.770 2.545 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.734 1.299 -3.119 1.00 0.00 H new ATOM 1083 N TYR A 71 -9.011 -0.653 -4.724 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.283 -1.365 -4.772 1.00 0.00 C ATOM 1085 C TYR A 71 -11.423 -0.420 -5.139 1.00 0.00 C ATOM 1086 O TYR A 71 -12.276 -0.749 -5.962 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.570 -2.030 -3.425 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.961 -2.613 -3.322 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.279 -3.816 -3.941 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.958 -1.962 -2.605 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.549 -4.352 -3.851 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.230 -2.492 -2.508 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.521 -3.686 -3.133 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.787 -4.218 -3.039 1.00 0.00 O ATOM 0 H TYR A 71 -8.467 -0.818 -3.877 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.211 -2.134 -5.541 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.840 -2.822 -3.257 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.433 -1.296 -2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.520 -4.341 -4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.734 -1.026 -2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.780 -5.287 -4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.993 -1.974 -1.946 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.351 -3.627 -2.498 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.429 0.758 -4.522 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.463 1.752 -4.783 1.00 0.00 C ATOM 1106 C ASN A 72 -11.881 3.162 -4.757 1.00 0.00 C ATOM 1107 O ASN A 72 -10.747 3.368 -4.325 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.586 1.633 -3.751 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.725 2.597 -4.022 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.440 2.467 -5.016 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -14.899 3.571 -3.136 1.00 0.00 N ATOM 0 H ASN A 72 -10.729 1.047 -3.838 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.870 1.564 -5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.969 0.613 -3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.183 1.822 -2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.649 4.250 -3.265 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.282 3.640 -2.327 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.666 4.129 -5.221 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.228 5.520 -5.251 1.00 0.00 C ATOM 1120 C GLU A 73 -11.981 6.043 -3.839 1.00 0.00 C ATOM 1121 O GLU A 73 -12.680 5.670 -2.896 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.270 6.391 -5.955 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.086 6.462 -7.462 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.562 7.778 -8.046 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -14.319 8.493 -7.357 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.177 8.093 -9.191 1.00 0.00 O ATOM 0 H GLU A 73 -13.608 3.975 -5.581 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.291 5.567 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.264 6.001 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.226 7.400 -5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.032 6.322 -7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.632 5.643 -7.930 1.00 0.00 H new ATOM 1133 N VAL A 74 -10.983 6.909 -3.701 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.644 7.485 -2.405 1.00 0.00 C ATOM 1135 C VAL A 74 -10.376 8.981 -2.521 1.00 0.00 C ATOM 1136 O VAL A 74 -9.522 9.412 -3.296 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.408 6.799 -1.793 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.641 5.303 -1.652 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.172 7.078 -2.636 1.00 0.00 C ATOM 0 H VAL A 74 -10.395 7.228 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.502 7.323 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.242 7.211 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.757 4.836 -1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.499 5.128 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.834 4.871 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.308 6.586 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.326 6.695 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.996 8.153 -2.678 1.00 0.00 H new ATOM 1149 N LYS A 75 -11.112 9.770 -1.745 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.954 11.219 -1.758 1.00 0.00 C ATOM 1151 C LYS A 75 -9.478 11.606 -1.763 1.00 0.00 C ATOM 1152 O LYS A 75 -8.857 11.736 -0.708 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.651 11.840 -0.545 1.00 0.00 C ATOM 1154 CG LYS A 75 -12.176 13.243 -0.797 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.385 13.550 0.071 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.900 14.961 -0.170 1.00 0.00 C ATOM 1157 NZ LYS A 75 -13.254 15.949 0.737 1.00 0.00 N ATOM 0 H LYS A 75 -11.824 9.430 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.415 11.601 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.480 11.199 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.952 11.867 0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.388 13.969 -0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.445 13.348 -1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.177 12.831 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.119 13.433 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.714 15.243 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.980 14.984 -0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.806 16.830 0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.215 15.561 1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.289 16.147 0.404 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.923 11.790 -2.957 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.521 12.165 -3.098 1.00 0.00 C ATOM 1173 C VAL A 76 -7.280 13.588 -2.607 1.00 0.00 C ATOM 1174 O VAL A 76 -6.248 13.879 -2.004 1.00 0.00 O ATOM 1175 CB VAL A 76 -7.055 12.053 -4.562 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.889 12.956 -5.458 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.577 12.391 -4.678 1.00 0.00 C ATOM 0 H VAL A 76 -9.423 11.685 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.945 11.471 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.195 11.024 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.546 12.864 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.937 12.662 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.783 13.991 -5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.265 12.307 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.408 13.410 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.997 11.699 -4.068 1.00 0.00 H new ATOM 1187 N GLU A 77 -8.240 14.469 -2.870 1.00 0.00 N ATOM 1188 CA GLU A 77 -8.131 15.862 -2.454 1.00 0.00 C ATOM 1189 C GLU A 77 -7.897 15.965 -0.949 1.00 0.00 C ATOM 1190 O GLU A 77 -7.382 16.969 -0.458 1.00 0.00 O ATOM 1191 CB GLU A 77 -9.397 16.632 -2.838 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.670 16.648 -4.332 1.00 0.00 C ATOM 1193 CD GLU A 77 -10.533 17.821 -4.755 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -10.213 18.963 -4.364 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -11.527 17.597 -5.477 1.00 0.00 O ATOM 0 H GLU A 77 -9.101 14.243 -3.369 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.276 16.302 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.251 16.189 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.310 17.659 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.723 16.686 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.162 15.718 -4.618 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.280 14.918 -0.224 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.113 14.891 1.224 1.00 0.00 C ATOM 1204 C GLU A 78 -7.026 13.899 1.628 1.00 0.00 C ATOM 1205 O GLU A 78 -6.269 14.140 2.568 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.432 14.523 1.905 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.350 15.712 2.136 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.905 16.574 3.302 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -10.010 16.109 4.457 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -9.453 17.713 3.060 1.00 0.00 O ATOM 0 H GLU A 78 -8.707 14.079 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.811 15.887 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.953 13.786 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.217 14.049 2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.385 16.320 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.363 15.354 2.319 1.00 0.00 H new ATOM 1217 N SER A 79 -6.955 12.782 0.910 1.00 0.00 N ATOM 1218 CA SER A 79 -5.965 11.751 1.195 1.00 0.00 C ATOM 1219 C SER A 79 -4.591 12.369 1.434 1.00 0.00 C ATOM 1220 O SER A 79 -4.310 13.479 0.982 1.00 0.00 O ATOM 1221 CB SER A 79 -5.892 10.750 0.041 1.00 0.00 C ATOM 1222 OG SER A 79 -7.070 9.965 -0.028 1.00 0.00 O ATOM 0 H SER A 79 -7.572 12.569 0.126 1.00 0.00 H new ATOM 0 HA SER A 79 -6.272 11.228 2.101 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.751 11.283 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.026 10.101 0.172 1.00 0.00 H new ATOM 0 HG SER A 79 -7.852 10.553 -0.088 1.00 0.00 H new ATOM 1228 N SER A 80 -3.737 11.642 2.148 1.00 0.00 N ATOM 1229 CA SER A 80 -2.393 12.119 2.451 1.00 0.00 C ATOM 1230 C SER A 80 -1.580 11.040 3.160 1.00 0.00 C ATOM 1231 O SER A 80 -2.119 10.013 3.573 1.00 0.00 O ATOM 1232 CB SER A 80 -2.460 13.376 3.321 1.00 0.00 C ATOM 1233 OG SER A 80 -2.585 14.541 2.524 1.00 0.00 O ATOM 0 H SER A 80 -3.952 10.720 2.527 1.00 0.00 H new ATOM 0 HA SER A 80 -1.900 12.362 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.307 13.305 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.562 13.446 3.935 1.00 0.00 H new ATOM 0 HG SER A 80 -3.389 14.473 1.969 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.281 11.280 3.295 1.00 0.00 N ATOM 1240 CA TRP A 81 0.607 10.329 3.953 1.00 0.00 C ATOM 1241 C TRP A 81 1.638 11.052 4.812 1.00 0.00 C ATOM 1242 O TRP A 81 1.810 12.266 4.704 1.00 0.00 O ATOM 1243 CB TRP A 81 1.313 9.456 2.914 1.00 0.00 C ATOM 1244 CG TRP A 81 2.235 10.227 2.018 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.908 10.854 0.850 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.635 10.450 2.218 1.00 0.00 C ATOM 1247 NE1 TRP A 81 3.021 11.454 0.311 1.00 0.00 N ATOM 1248 CE2 TRP A 81 4.093 11.221 1.132 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.546 10.076 3.209 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.421 11.622 1.011 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.864 10.474 3.088 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.291 11.241 1.996 1.00 0.00 C ATOM 0 H TRP A 81 0.181 12.125 2.958 1.00 0.00 H new ATOM 0 HA TRP A 81 0.003 9.694 4.601 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.881 8.680 3.427 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.564 8.951 2.304 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.920 10.875 0.414 1.00 0.00 H new ATOM 0 HE1 TRP A 81 3.045 11.986 -0.559 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.226 9.486 4.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.752 12.213 0.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.577 10.189 3.848 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.327 11.537 1.930 1.00 0.00 H new ATOM 1263 N LEU A 82 2.323 10.298 5.666 1.00 0.00 N ATOM 1264 CA LEU A 82 3.339 10.868 6.545 1.00 0.00 C ATOM 1265 C LEU A 82 4.325 9.799 7.002 1.00 0.00 C ATOM 1266 O LEU A 82 4.043 8.603 6.917 1.00 0.00 O ATOM 1267 CB LEU A 82 2.680 11.524 7.760 1.00 0.00 C ATOM 1268 CG LEU A 82 1.890 10.593 8.679 1.00 0.00 C ATOM 1269 CD1 LEU A 82 2.790 10.023 9.764 1.00 0.00 C ATOM 1270 CD2 LEU A 82 0.708 11.328 9.295 1.00 0.00 C ATOM 0 H LEU A 82 2.193 9.291 5.768 1.00 0.00 H new ATOM 0 HA LEU A 82 3.887 11.625 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.456 12.012 8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.010 12.307 7.406 1.00 0.00 H new ATOM 0 HG LEU A 82 1.507 9.765 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.210 9.363 10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.602 9.460 9.304 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.204 10.838 10.358 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.157 10.650 9.946 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.070 12.176 9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.049 11.686 8.504 1.00 0.00 H new ATOM 1282 N ILE A 83 5.481 10.237 7.489 1.00 0.00 N ATOM 1283 CA ILE A 83 6.507 9.317 7.964 1.00 0.00 C ATOM 1284 C ILE A 83 6.365 9.058 9.459 1.00 0.00 C ATOM 1285 O ILE A 83 6.096 9.975 10.235 1.00 0.00 O ATOM 1286 CB ILE A 83 7.922 9.857 7.680 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.118 10.071 6.178 1.00 0.00 C ATOM 1288 CG2 ILE A 83 8.973 8.902 8.226 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.265 10.999 5.845 1.00 0.00 C ATOM 0 H ILE A 83 5.731 11.223 7.565 1.00 0.00 H new ATOM 0 HA ILE A 83 6.367 8.382 7.422 1.00 0.00 H new ATOM 0 HB ILE A 83 8.036 10.817 8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.292 9.106 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.199 10.475 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 83 9.967 9.297 8.018 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.843 8.795 9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.862 7.928 7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.345 11.105 4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.084 11.976 6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.193 10.586 6.239 1.00 0.00 H new ATOM 1301 N GLU A 84 6.548 7.803 9.857 1.00 0.00 N ATOM 1302 CA GLU A 84 6.440 7.423 11.261 1.00 0.00 C ATOM 1303 C GLU A 84 7.791 6.968 11.806 1.00 0.00 C ATOM 1304 O GLU A 84 8.292 5.904 11.443 1.00 0.00 O ATOM 1305 CB GLU A 84 5.406 6.309 11.434 1.00 0.00 C ATOM 1306 CG GLU A 84 3.993 6.820 11.662 1.00 0.00 C ATOM 1307 CD GLU A 84 3.746 7.229 13.101 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.701 7.699 13.755 1.00 0.00 O ATOM 1309 OE2 GLU A 84 2.600 7.081 13.572 1.00 0.00 O ATOM 0 H GLU A 84 6.772 7.032 9.227 1.00 0.00 H new ATOM 0 HA GLU A 84 6.116 8.298 11.824 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.415 5.675 10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.697 5.682 12.277 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.809 7.673 11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.280 6.045 11.381 1.00 0.00 H new ATOM 1316 N ASP A 85 8.374 7.781 12.680 1.00 0.00 N ATOM 1317 CA ASP A 85 9.666 7.463 13.277 1.00 0.00 C ATOM 1318 C ASP A 85 10.768 7.469 12.222 1.00 0.00 C ATOM 1319 O ASP A 85 11.783 6.788 12.365 1.00 0.00 O ATOM 1320 CB ASP A 85 9.611 6.099 13.966 1.00 0.00 C ATOM 1321 CG ASP A 85 10.509 6.030 15.186 1.00 0.00 C ATOM 1322 OD1 ASP A 85 10.782 7.092 15.782 1.00 0.00 O ATOM 1323 OD2 ASP A 85 10.940 4.913 15.544 1.00 0.00 O ATOM 0 H ASP A 85 7.972 8.665 12.991 1.00 0.00 H new ATOM 0 HA ASP A 85 9.894 8.228 14.019 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.584 5.886 14.262 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.906 5.325 13.257 1.00 0.00 H new ATOM 1328 N GLY A 86 10.561 8.243 11.161 1.00 0.00 N ATOM 1329 CA GLY A 86 11.544 8.322 10.097 1.00 0.00 C ATOM 1330 C GLY A 86 11.972 6.956 9.599 1.00 0.00 C ATOM 1331 O GLY A 86 13.076 6.793 9.080 1.00 0.00 O ATOM 0 H GLY A 86 9.730 8.817 11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.131 8.895 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.419 8.865 10.455 1.00 0.00 H new ATOM 1335 N LYS A 87 11.096 5.969 9.759 1.00 0.00 N ATOM 1336 CA LYS A 87 11.388 4.609 9.323 1.00 0.00 C ATOM 1337 C LYS A 87 10.231 4.038 8.509 1.00 0.00 C ATOM 1338 O LYS A 87 10.439 3.404 7.475 1.00 0.00 O ATOM 1339 CB LYS A 87 11.666 3.712 10.532 1.00 0.00 C ATOM 1340 CG LYS A 87 10.437 3.441 11.383 1.00 0.00 C ATOM 1341 CD LYS A 87 10.813 2.864 12.737 1.00 0.00 C ATOM 1342 CE LYS A 87 11.092 1.371 12.649 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.037 0.717 13.986 1.00 0.00 N ATOM 0 H LYS A 87 10.178 6.086 10.188 1.00 0.00 H new ATOM 0 HA LYS A 87 12.275 4.640 8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.073 2.763 10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.431 4.179 11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.879 4.367 11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.778 2.747 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.694 3.378 13.121 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.005 3.043 13.447 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.364 0.904 11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.075 1.211 12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.232 -0.299 13.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.749 1.145 14.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.091 0.848 14.398 1.00 0.00 H new ATOM 1357 N VAL A 88 9.010 4.270 8.982 1.00 0.00 N ATOM 1358 CA VAL A 88 7.820 3.781 8.296 1.00 0.00 C ATOM 1359 C VAL A 88 7.120 4.905 7.541 1.00 0.00 C ATOM 1360 O VAL A 88 7.317 6.084 7.838 1.00 0.00 O ATOM 1361 CB VAL A 88 6.824 3.145 9.285 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.603 2.617 8.547 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.498 2.036 10.079 1.00 0.00 C ATOM 0 H VAL A 88 8.820 4.793 9.837 1.00 0.00 H new ATOM 0 HA VAL A 88 8.152 3.023 7.587 1.00 0.00 H new ATOM 0 HB VAL A 88 6.492 3.912 9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.911 2.171 9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.109 3.438 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.913 1.863 7.824 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.781 1.598 10.773 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.859 1.267 9.396 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.338 2.448 10.638 1.00 0.00 H new ATOM 1373 N VAL A 89 6.302 4.533 6.562 1.00 0.00 N ATOM 1374 CA VAL A 89 5.571 5.510 5.763 1.00 0.00 C ATOM 1375 C VAL A 89 4.079 5.195 5.739 1.00 0.00 C ATOM 1376 O VAL A 89 3.627 4.334 4.983 1.00 0.00 O ATOM 1377 CB VAL A 89 6.097 5.560 4.317 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.141 6.339 3.427 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.491 6.169 4.278 1.00 0.00 C ATOM 0 H VAL A 89 6.129 3.562 6.303 1.00 0.00 H new ATOM 0 HA VAL A 89 5.727 6.482 6.232 1.00 0.00 H new ATOM 0 HB VAL A 89 6.160 4.541 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.530 6.363 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.164 5.855 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.043 7.358 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.847 6.197 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.457 7.183 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.169 5.565 4.881 1.00 0.00 H new ATOM 1389 N THR A 90 3.318 5.897 6.572 1.00 0.00 N ATOM 1390 CA THR A 90 1.877 5.692 6.647 1.00 0.00 C ATOM 1391 C THR A 90 1.147 6.526 5.600 1.00 0.00 C ATOM 1392 O THR A 90 1.511 7.674 5.342 1.00 0.00 O ATOM 1393 CB THR A 90 1.330 6.050 8.042 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.655 7.407 8.363 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.905 5.122 9.102 1.00 0.00 C ATOM 0 H THR A 90 3.676 6.613 7.205 1.00 0.00 H new ATOM 0 HA THR A 90 1.699 4.634 6.455 1.00 0.00 H new ATOM 0 HB THR A 90 0.247 5.931 8.025 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.302 7.627 9.251 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.505 5.393 10.079 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.632 4.092 8.871 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.991 5.215 9.116 1.00 0.00 H new ATOM 1403 N VAL A 91 0.116 5.942 4.998 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.666 6.632 3.979 1.00 0.00 C ATOM 1405 C VAL A 91 -2.157 6.557 4.287 1.00 0.00 C ATOM 1406 O VAL A 91 -2.755 5.481 4.259 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.411 6.040 2.580 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.149 6.842 1.519 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.080 5.995 2.285 1.00 0.00 C ATOM 0 H VAL A 91 -0.197 4.992 5.198 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.348 7.675 3.987 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.793 5.019 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.957 6.409 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.219 6.818 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.800 7.874 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.242 5.574 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.489 7.005 2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.579 5.374 3.029 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.754 7.708 4.580 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.177 7.774 4.893 1.00 0.00 C ATOM 1421 C HIS A 92 -5.008 7.891 3.618 1.00 0.00 C ATOM 1422 O HIS A 92 -4.812 8.806 2.818 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.465 8.960 5.813 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.904 9.373 5.827 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.755 9.102 6.878 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.642 10.041 4.910 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -7.954 9.585 6.606 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.913 10.161 5.418 1.00 0.00 N ATOM 0 H HIS A 92 -2.274 8.608 4.607 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.454 6.852 5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.159 8.705 6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.855 9.808 5.500 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -6.499 8.606 7.732 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.296 10.411 3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.821 9.520 7.247 1.00 0.00 H new ATOM 1437 N LEU A 93 -5.936 6.957 3.435 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.796 6.955 2.257 1.00 0.00 C ATOM 1439 C LEU A 93 -8.249 7.216 2.644 1.00 0.00 C ATOM 1440 O LEU A 93 -8.854 6.438 3.380 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.685 5.618 1.522 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.367 5.363 0.789 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.220 3.888 0.452 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.287 6.210 -0.473 1.00 0.00 C ATOM 0 H LEU A 93 -6.112 6.192 4.087 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.465 7.755 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.838 4.816 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.498 5.555 0.799 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.546 5.648 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.276 3.726 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.232 3.302 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.046 3.577 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.343 6.016 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.115 5.956 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.346 7.265 -0.207 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.802 8.315 2.139 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.184 8.676 2.431 1.00 0.00 C ATOM 1458 C GLU A 94 -11.145 7.963 1.485 1.00 0.00 C ATOM 1459 O GLU A 94 -11.076 8.133 0.267 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.372 10.191 2.320 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.823 10.632 2.412 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.466 10.253 3.732 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -12.881 9.083 3.874 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -12.554 11.124 4.621 1.00 0.00 O ATOM 0 H GLU A 94 -8.315 8.969 1.527 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.407 8.362 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.802 10.678 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.957 10.532 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.879 11.713 2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.388 10.183 1.595 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.040 7.162 2.053 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.016 6.422 1.262 1.00 0.00 C ATOM 1473 C LYS A 95 -14.161 7.329 0.824 1.00 0.00 C ATOM 1474 O LYS A 95 -14.862 7.905 1.656 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.565 5.242 2.067 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.561 4.119 2.263 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.214 2.885 2.864 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.176 1.891 3.360 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.806 0.707 4.007 1.00 0.00 N ATOM 0 H LYS A 95 -12.110 7.009 3.059 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.514 6.044 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.892 5.600 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.446 4.846 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.109 3.862 1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.756 4.459 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.861 3.180 3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.849 2.408 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.559 1.562 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.513 2.383 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.237 0.416 4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.766 0.953 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.855 -0.076 3.325 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.345 7.450 -0.487 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.407 8.284 -1.034 1.00 0.00 C ATOM 1495 C ILE A 96 -16.725 8.047 -0.304 1.00 0.00 C ATOM 1496 O ILE A 96 -17.441 8.991 0.027 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.612 8.021 -2.538 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.412 8.533 -3.336 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.896 8.678 -3.021 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -14.211 10.029 -3.232 1.00 0.00 C ATOM 0 H ILE A 96 -13.772 6.981 -1.189 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.098 9.320 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.696 6.946 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.511 8.028 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.542 8.264 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.026 8.483 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.743 8.269 -2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.840 9.754 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.343 10.321 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -15.096 10.542 -3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -14.050 10.303 -2.189 1.00 0.00 H new ATOM 1512 N ASN A 97 -17.037 6.780 -0.054 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.268 6.418 0.639 1.00 0.00 C ATOM 1514 C ASN A 97 -17.970 5.893 2.040 1.00 0.00 C ATOM 1515 O ASN A 97 -17.402 4.813 2.203 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.036 5.363 -0.160 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.754 5.954 -1.358 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -19.259 5.897 -2.483 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -20.929 6.526 -1.120 1.00 0.00 N ATOM 0 H ASN A 97 -16.454 5.986 -0.321 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.882 7.314 0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.343 4.592 -0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.762 4.875 0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -21.459 6.941 -1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -21.301 6.550 -0.171 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.357 6.666 3.049 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.134 6.280 4.438 1.00 0.00 C ATOM 1528 C LYS A 98 -18.991 5.075 4.812 1.00 0.00 C ATOM 1529 O LYS A 98 -18.893 4.553 5.922 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.448 7.452 5.371 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.765 8.748 4.971 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.282 8.722 5.302 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.579 9.979 4.811 1.00 0.00 C ATOM 1534 NZ LYS A 98 -15.663 10.119 3.331 1.00 0.00 N ATOM 0 H LYS A 98 -18.827 7.564 2.931 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.085 6.006 4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.526 7.611 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.145 7.190 6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.897 8.915 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.239 9.584 5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.150 8.628 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.822 7.845 4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -16.026 10.853 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.532 9.952 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.997 10.852 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -15.420 9.213 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.631 10.390 3.062 1.00 0.00 H new ATOM 1548 N MET A 99 -19.829 4.637 3.878 1.00 0.00 N ATOM 1549 CA MET A 99 -20.700 3.491 4.110 1.00 0.00 C ATOM 1550 C MET A 99 -20.352 2.343 3.168 1.00 0.00 C ATOM 1551 O MET A 99 -21.229 1.596 2.736 1.00 0.00 O ATOM 1552 CB MET A 99 -22.165 3.892 3.925 1.00 0.00 C ATOM 1553 CG MET A 99 -22.739 4.660 5.105 1.00 0.00 C ATOM 1554 SD MET A 99 -22.704 3.709 6.636 1.00 0.00 S ATOM 1555 CE MET A 99 -23.890 2.421 6.262 1.00 0.00 C ATOM 0 H MET A 99 -19.923 5.058 2.954 1.00 0.00 H new ATOM 0 HA MET A 99 -20.549 3.154 5.135 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.255 4.502 3.026 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.761 2.994 3.762 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.175 5.583 5.242 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.767 4.945 4.882 1.00 0.00 H new ATOM 0 HE1 MET A 99 -24.193 1.927 7.185 1.00 0.00 H new ATOM 0 HE2 MET A 99 -24.764 2.860 5.781 1.00 0.00 H new ATOM 0 HE3 MET A 99 -23.435 1.691 5.592 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.067 2.211 2.853 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.605 1.154 1.960 1.00 0.00 C ATOM 1567 C GLU A 100 -17.400 0.429 2.554 1.00 0.00 C ATOM 1568 O GLU A 100 -16.566 1.037 3.225 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.242 1.735 0.592 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.818 0.685 -0.421 1.00 0.00 C ATOM 1571 CD GLU A 100 -18.998 0.041 -1.123 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -20.063 -0.095 -0.486 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -18.856 -0.327 -2.307 1.00 0.00 O ATOM 0 H GLU A 100 -18.328 2.822 3.202 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.415 0.435 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.100 2.281 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.434 2.456 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.165 1.144 -1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.235 -0.086 0.083 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.318 -0.872 2.301 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.216 -1.680 2.810 1.00 0.00 C ATOM 1582 C TRP A 101 -15.206 -1.981 1.708 1.00 0.00 C ATOM 1583 O TRP A 101 -15.511 -1.849 0.523 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.746 -2.987 3.403 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.203 -2.852 4.824 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.492 -2.850 5.274 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.372 -2.697 5.980 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.513 -2.704 6.640 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.226 -2.609 7.098 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.991 -2.627 6.181 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.741 -2.453 8.393 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.512 -2.472 7.467 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.384 -2.387 8.560 1.00 0.00 C ATOM 0 H TRP A 101 -18.001 -1.390 1.747 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.713 -1.111 3.592 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.577 -3.343 2.794 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -15.964 -3.745 3.351 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.367 -2.949 4.648 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.352 -2.672 7.219 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.310 -2.693 5.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.412 -2.386 9.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.446 -2.415 7.633 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.978 -2.267 9.554 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.006 -2.385 2.106 1.00 0.00 N ATOM 1605 CA TRP A 102 -12.951 -2.705 1.150 1.00 0.00 C ATOM 1606 C TRP A 102 -12.535 -4.167 1.267 1.00 0.00 C ATOM 1607 O TRP A 102 -12.496 -4.724 2.363 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.740 -1.798 1.373 1.00 0.00 C ATOM 1609 CG TRP A 102 -11.838 -0.489 0.649 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -12.928 0.331 0.581 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.805 0.150 -0.110 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.635 1.441 -0.175 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.339 1.354 -0.610 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.481 -0.177 -0.415 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.595 2.228 -1.397 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.744 0.691 -1.197 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.301 1.882 -1.680 1.00 0.00 C ATOM 0 H TRP A 102 -13.738 -2.499 3.084 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.342 -2.537 0.146 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.629 -1.607 2.440 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.840 -2.319 1.047 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -13.880 0.136 1.052 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.278 2.206 -0.379 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.042 -1.092 -0.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.023 3.146 -1.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.720 0.447 -1.440 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.698 2.540 -2.288 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.225 -4.782 0.130 1.00 0.00 N ATOM 1629 CA ASN A 103 -11.812 -6.181 0.106 1.00 0.00 C ATOM 1630 C ASN A 103 -10.295 -6.302 0.212 1.00 0.00 C ATOM 1631 O ASN A 103 -9.771 -7.343 0.607 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.301 -6.857 -1.177 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.534 -8.344 -0.994 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -12.949 -8.791 0.075 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -12.268 -9.117 -2.040 1.00 0.00 N ATOM 0 H ASN A 103 -12.252 -4.334 -0.786 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.259 -6.681 0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -13.227 -6.384 -1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.568 -6.702 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.406 -10.126 -1.977 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.926 -8.702 -2.907 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.595 -5.229 -0.143 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.139 -5.215 -0.088 1.00 0.00 C ATOM 1644 C ARG A 104 -7.595 -3.830 -0.430 1.00 0.00 C ATOM 1645 O ARG A 104 -8.288 -3.012 -1.035 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.561 -6.253 -1.052 1.00 0.00 C ATOM 1647 CG ARG A 104 -7.942 -6.015 -2.503 1.00 0.00 C ATOM 1648 CD ARG A 104 -7.584 -7.208 -3.376 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.474 -7.331 -4.528 1.00 0.00 N ATOM 1650 CZ ARG A 104 -8.269 -8.181 -5.527 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -7.211 -8.980 -5.516 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -9.124 -8.234 -6.541 1.00 0.00 N ATOM 0 H ARG A 104 -10.013 -4.359 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.837 -5.465 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.474 -6.251 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.903 -7.244 -0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.012 -5.820 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.432 -5.126 -2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.555 -7.108 -3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.633 -8.120 -2.781 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.298 -6.731 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.552 -8.943 -4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.056 -9.632 -6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.939 -7.621 -6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.966 -8.887 -7.308 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.352 -3.575 -0.037 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.715 -2.290 -0.301 1.00 0.00 C ATOM 1668 C LEU A 105 -5.633 -2.020 -1.800 1.00 0.00 C ATOM 1669 O LEU A 105 -6.164 -1.024 -2.292 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.314 -2.257 0.312 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.494 -0.994 0.046 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.163 0.218 0.674 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.076 -1.157 0.575 1.00 0.00 C ATOM 0 H LEU A 105 -5.765 -4.241 0.466 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.324 -1.510 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.408 -2.384 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.755 -3.114 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.442 -0.838 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.565 1.108 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.158 0.346 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.246 0.071 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.507 -0.249 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.107 -1.339 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.597 -2.001 0.078 1.00 0.00 H new ATOM 1685 N VAL A 106 -4.966 -2.915 -2.522 1.00 0.00 N ATOM 1686 CA VAL A 106 -4.818 -2.775 -3.965 1.00 0.00 C ATOM 1687 C VAL A 106 -5.108 -4.092 -4.677 1.00 0.00 C ATOM 1688 O VAL A 106 -4.895 -5.171 -4.123 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.401 -2.303 -4.341 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.236 -0.820 -4.045 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.353 -3.122 -3.602 1.00 0.00 C ATOM 0 H VAL A 106 -4.520 -3.745 -2.131 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.540 -2.024 -4.286 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.259 -2.454 -5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.229 -0.505 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.963 -0.250 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.398 -0.641 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.358 -2.775 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.491 -3.005 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.458 -4.174 -3.869 1.00 0.00 H new ATOM 1701 N THR A 107 -5.596 -3.997 -5.910 1.00 0.00 N ATOM 1702 CA THR A 107 -5.916 -5.179 -6.699 1.00 0.00 C ATOM 1703 C THR A 107 -4.789 -6.203 -6.638 1.00 0.00 C ATOM 1704 O THR A 107 -5.022 -7.406 -6.758 1.00 0.00 O ATOM 1705 CB THR A 107 -6.186 -4.817 -8.172 1.00 0.00 C ATOM 1706 OG1 THR A 107 -5.037 -4.178 -8.737 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.393 -3.898 -8.290 1.00 0.00 C ATOM 0 H THR A 107 -5.778 -3.112 -6.384 1.00 0.00 H new ATOM 0 HA THR A 107 -6.819 -5.610 -6.268 1.00 0.00 H new ATOM 0 HB THR A 107 -6.395 -5.737 -8.718 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.216 -3.953 -9.674 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.565 -3.656 -9.339 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.272 -4.398 -7.885 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.208 -2.981 -7.731 1.00 0.00 H new ATOM 1715 N SER A 108 -3.565 -5.718 -6.451 1.00 0.00 N ATOM 1716 CA SER A 108 -2.400 -6.592 -6.377 1.00 0.00 C ATOM 1717 C SER A 108 -2.456 -7.468 -5.130 1.00 0.00 C ATOM 1718 O SER A 108 -2.263 -8.682 -5.201 1.00 0.00 O ATOM 1719 CB SER A 108 -1.114 -5.763 -6.374 1.00 0.00 C ATOM 1720 OG SER A 108 -0.990 -5.009 -7.568 1.00 0.00 O ATOM 0 H SER A 108 -3.355 -4.725 -6.348 1.00 0.00 H new ATOM 0 HA SER A 108 -2.406 -7.239 -7.254 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.112 -5.092 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.253 -6.422 -6.266 1.00 0.00 H new ATOM 0 HG SER A 108 -0.358 -4.274 -7.426 1.00 0.00 H new ATOM 1726 N ASP A 109 -2.722 -6.844 -3.987 1.00 0.00 N ATOM 1727 CA ASP A 109 -2.805 -7.566 -2.723 1.00 0.00 C ATOM 1728 C ASP A 109 -3.915 -8.612 -2.766 1.00 0.00 C ATOM 1729 O ASP A 109 -4.817 -8.561 -3.602 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.050 -6.592 -1.570 1.00 0.00 C ATOM 1731 CG ASP A 109 -1.759 -6.080 -0.960 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -0.774 -6.847 -0.929 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -1.735 -4.914 -0.513 1.00 0.00 O ATOM 0 H ASP A 109 -2.884 -5.840 -3.910 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.855 -8.076 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.638 -5.748 -1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.641 -7.087 -0.800 1.00 0.00 H new ATOM 1738 N PRO A 110 -3.848 -9.585 -1.845 1.00 0.00 N ATOM 1739 CA PRO A 110 -4.839 -10.661 -1.757 1.00 0.00 C ATOM 1740 C PRO A 110 -6.196 -10.162 -1.274 1.00 0.00 C ATOM 1741 O PRO A 110 -6.298 -9.086 -0.686 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.228 -11.623 -0.735 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.336 -10.772 0.100 1.00 0.00 C ATOM 1744 CD PRO A 110 -2.800 -9.708 -0.818 1.00 0.00 C ATOM 0 HA PRO A 110 -5.034 -11.116 -2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.999 -12.100 -0.130 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.669 -12.420 -1.226 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.885 -10.330 0.931 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.526 -11.361 0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.640 -8.767 -0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.843 -9.997 -1.253 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.236 -10.951 -1.526 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.587 -10.587 -1.116 1.00 0.00 C ATOM 1754 C GLU A 111 -8.937 -11.220 0.228 1.00 0.00 C ATOM 1755 O GLU A 111 -8.352 -12.230 0.621 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.601 -11.023 -2.176 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.233 -10.587 -3.585 1.00 0.00 C ATOM 1758 CD GLU A 111 -8.385 -11.614 -4.311 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -7.202 -11.772 -3.943 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -8.904 -12.258 -5.246 1.00 0.00 O ATOM 0 H GLU A 111 -7.169 -11.845 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.627 -9.503 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.694 -12.109 -2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.579 -10.614 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.144 -10.406 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.692 -9.642 -3.539 1.00 0.00 H new ATOM 1767 N ILE A 112 -9.894 -10.619 0.927 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.322 -11.124 2.226 1.00 0.00 C ATOM 1769 C ILE A 112 -11.843 -11.171 2.323 1.00 0.00 C ATOM 1770 O ILE A 112 -12.523 -10.183 2.049 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.772 -10.259 3.375 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.705 -8.791 2.951 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.398 -10.756 3.800 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.695 -7.825 4.115 1.00 0.00 C ATOM 0 H ILE A 112 -10.387 -9.782 0.616 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.923 -12.134 2.319 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.447 -10.341 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -8.808 -8.635 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.558 -8.567 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.022 -10.135 4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.473 -11.790 4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.713 -10.700 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.646 -6.803 3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.605 -7.953 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.827 -8.022 4.744 1.00 0.00 H new