USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= 0.228 K(o=1.5,f=-9.2!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 168:sc= 1.28 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 21 THR OG1 : rot 99:sc= 0.0225 USER MOD Single : A 22 ASN : amide:sc= 0.0218 K(o=0.022,f=-4.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -131:sc= 0 (180deg=-0.00951) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 1.42 (180deg=1.28) USER MOD Single : A 47 THR OG1 : rot -51:sc= 0.0653 USER MOD Single : A 48 ASN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.13) USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 57 THR OG1 : rot -55:sc= 0.617 USER MOD Single : A 60 SER OG : rot -130:sc= 1.28 USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0168) USER MOD Single : A 71 MET CE :methyl 168:sc= -0.232 (180deg=-0.602) USER MOD Single : A 72 ASN : amide:sc=-4.92e-05 X(o=-4.9e-05,f=-0.38) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0108) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0158 F(o=-0.78,f=-0.016) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -2.125 10.056 1.502 1.00 0.00 N ATOM 134 CA GLY A 10 -1.238 9.191 0.725 1.00 0.00 C ATOM 135 C GLY A 10 -1.101 7.750 1.227 1.00 0.00 C ATOM 136 O GLY A 10 -0.374 6.963 0.624 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.598 9.164 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.247 9.644 0.704 1.00 0.00 H new ATOM 140 N LYS A 11 -1.777 7.380 2.315 1.00 0.00 N ATOM 141 CA LYS A 11 -1.819 6.010 2.817 1.00 0.00 C ATOM 142 C LYS A 11 -2.471 5.094 1.775 1.00 0.00 C ATOM 143 O LYS A 11 -3.253 5.552 0.933 1.00 0.00 O ATOM 144 CB LYS A 11 -2.600 5.991 4.147 1.00 0.00 C ATOM 145 CG LYS A 11 -1.738 6.179 5.405 1.00 0.00 C ATOM 146 CD LYS A 11 -1.132 7.573 5.588 1.00 0.00 C ATOM 147 CE LYS A 11 -0.184 7.546 6.793 1.00 0.00 C ATOM 148 NZ LYS A 11 0.497 8.835 7.024 1.00 0.00 N ATOM 0 H LYS A 11 -2.318 8.035 2.879 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.809 5.642 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.354 6.777 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.131 5.042 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.347 5.949 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.928 5.450 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.592 7.870 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.920 8.310 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.748 7.275 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.565 6.769 6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.123 8.754 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.060 9.085 6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.212 9.576 7.198 1.00 0.00 H new ATOM 162 N LEU A 12 -2.192 3.792 1.859 1.00 0.00 N ATOM 163 CA LEU A 12 -2.809 2.727 1.069 1.00 0.00 C ATOM 164 C LEU A 12 -2.981 1.484 1.957 1.00 0.00 C ATOM 165 O LEU A 12 -2.492 1.464 3.089 1.00 0.00 O ATOM 166 CB LEU A 12 -1.931 2.411 -0.164 1.00 0.00 C ATOM 167 CG LEU A 12 -2.555 2.657 -1.551 1.00 0.00 C ATOM 168 CD1 LEU A 12 -3.936 2.038 -1.733 1.00 0.00 C ATOM 169 CD2 LEU A 12 -2.645 4.110 -1.995 1.00 0.00 C ATOM 0 H LEU A 12 -1.495 3.435 2.512 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.788 3.045 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.020 3.006 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.633 1.364 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.827 2.152 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.304 2.257 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.871 0.958 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.622 2.455 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.100 4.161 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.255 4.670 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.645 4.541 -2.033 1.00 0.00 H new ATOM 181 N PHE A 13 -3.645 0.432 1.477 1.00 0.00 N ATOM 182 CA PHE A 13 -3.810 -0.842 2.179 1.00 0.00 C ATOM 183 C PHE A 13 -3.840 -1.949 1.125 1.00 0.00 C ATOM 184 O PHE A 13 -4.543 -1.796 0.125 1.00 0.00 O ATOM 185 CB PHE A 13 -5.119 -0.779 2.976 1.00 0.00 C ATOM 186 CG PHE A 13 -5.342 -1.865 4.016 1.00 0.00 C ATOM 187 CD1 PHE A 13 -5.859 -3.119 3.640 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.152 -1.585 5.387 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.242 -4.047 4.623 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.509 -2.526 6.367 1.00 0.00 C ATOM 191 CZ PHE A 13 -6.068 -3.756 5.986 1.00 0.00 C ATOM 0 H PHE A 13 -4.096 0.443 0.562 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.995 -1.043 2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.164 0.187 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.949 -0.810 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.961 -3.368 2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.728 -0.638 5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.674 -4.992 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.354 -2.303 7.412 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.363 -4.474 6.737 1.00 0.00 H new ATOM 201 N ILE A 14 -3.066 -3.023 1.305 1.00 0.00 N ATOM 202 CA ILE A 14 -2.851 -4.034 0.276 1.00 0.00 C ATOM 203 C ILE A 14 -2.916 -5.418 0.917 1.00 0.00 C ATOM 204 O ILE A 14 -2.334 -5.627 1.983 1.00 0.00 O ATOM 205 CB ILE A 14 -1.487 -3.815 -0.420 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.286 -2.392 -0.976 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.360 -4.774 -1.615 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.564 -1.454 -0.011 1.00 0.00 C ATOM 0 H ILE A 14 -2.570 -3.213 2.176 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.629 -3.953 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.737 -3.992 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.719 -2.451 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.259 -1.967 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.399 -4.619 -2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.427 -5.804 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.164 -4.580 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.458 -0.471 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.141 -1.365 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.423 -1.856 0.217 1.00 0.00 H new ATOM 220 N GLY A 15 -3.566 -6.366 0.240 1.00 0.00 N ATOM 221 CA GLY A 15 -3.693 -7.756 0.658 1.00 0.00 C ATOM 222 C GLY A 15 -3.651 -8.707 -0.521 1.00 0.00 C ATOM 223 O GLY A 15 -3.475 -8.286 -1.664 1.00 0.00 O ATOM 0 H GLY A 15 -4.034 -6.176 -0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.888 -8.002 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.631 -7.888 1.198 1.00 0.00 H new ATOM 227 N GLY A 16 -3.821 -10.002 -0.248 1.00 0.00 N ATOM 228 CA GLY A 16 -3.683 -11.054 -1.252 1.00 0.00 C ATOM 229 C GLY A 16 -2.279 -11.094 -1.855 1.00 0.00 C ATOM 230 O GLY A 16 -2.113 -11.536 -2.992 1.00 0.00 O ATOM 0 H GLY A 16 -4.059 -10.350 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.910 -12.019 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.413 -10.895 -2.045 1.00 0.00 H new ATOM 234 N LEU A 17 -1.280 -10.572 -1.139 1.00 0.00 N ATOM 235 CA LEU A 17 0.115 -10.540 -1.567 1.00 0.00 C ATOM 236 C LEU A 17 0.774 -11.892 -1.333 1.00 0.00 C ATOM 237 O LEU A 17 0.256 -12.711 -0.570 1.00 0.00 O ATOM 238 CB LEU A 17 0.877 -9.465 -0.785 1.00 0.00 C ATOM 239 CG LEU A 17 0.416 -8.029 -1.045 1.00 0.00 C ATOM 240 CD1 LEU A 17 1.288 -7.079 -0.226 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.519 -7.709 -2.535 1.00 0.00 C ATOM 0 H LEU A 17 -1.426 -10.150 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 17 0.143 -10.308 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.780 -9.675 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.936 -9.541 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.626 -7.910 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.971 -6.051 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.187 -7.314 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.330 -7.193 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.189 -6.685 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.554 -7.818 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.112 -8.396 -3.099 1.00 0.00 H new ATOM 253 N ASN A 18 1.901 -12.149 -2.005 1.00 0.00 N ATOM 254 CA ASN A 18 2.560 -13.441 -1.886 1.00 0.00 C ATOM 255 C ASN A 18 3.493 -13.426 -0.685 1.00 0.00 C ATOM 256 O ASN A 18 3.850 -12.368 -0.158 1.00 0.00 O ATOM 257 CB ASN A 18 3.304 -13.867 -3.169 1.00 0.00 C ATOM 258 CG ASN A 18 3.379 -15.396 -3.235 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.493 -16.085 -2.739 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.407 -15.988 -3.803 1.00 0.00 N ATOM 0 H ASN A 18 2.365 -11.487 -2.626 1.00 0.00 H new ATOM 0 HA ASN A 18 1.784 -14.192 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.787 -13.480 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.308 -13.443 -3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.460 -17.006 -3.827 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.151 -15.429 -4.220 1.00 0.00 H new ATOM 267 N THR A 19 3.919 -14.605 -0.262 1.00 0.00 N ATOM 268 CA THR A 19 4.640 -14.811 0.978 1.00 0.00 C ATOM 269 C THR A 19 6.133 -14.463 0.863 1.00 0.00 C ATOM 270 O THR A 19 6.872 -14.640 1.829 1.00 0.00 O ATOM 271 CB THR A 19 4.400 -16.263 1.452 1.00 0.00 C ATOM 272 OG1 THR A 19 3.346 -16.892 0.739 1.00 0.00 O ATOM 273 CG2 THR A 19 4.027 -16.259 2.934 1.00 0.00 C ATOM 0 H THR A 19 3.768 -15.466 -0.787 1.00 0.00 H new ATOM 0 HA THR A 19 4.256 -14.123 1.731 1.00 0.00 H new ATOM 0 HB THR A 19 5.322 -16.816 1.274 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.229 -17.808 1.068 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.858 -17.282 3.269 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.839 -15.817 3.512 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.118 -15.675 3.079 1.00 0.00 H new ATOM 281 N GLU A 20 6.603 -13.980 -0.289 1.00 0.00 N ATOM 282 CA GLU A 20 8.009 -13.656 -0.535 1.00 0.00 C ATOM 283 C GLU A 20 8.128 -12.323 -1.285 1.00 0.00 C ATOM 284 O GLU A 20 9.095 -12.064 -2.005 1.00 0.00 O ATOM 285 CB GLU A 20 8.668 -14.840 -1.260 1.00 0.00 C ATOM 286 CG GLU A 20 10.204 -14.766 -1.270 1.00 0.00 C ATOM 287 CD GLU A 20 10.810 -16.160 -1.136 1.00 0.00 C ATOM 288 OE1 GLU A 20 10.837 -16.669 0.009 1.00 0.00 O ATOM 289 OE2 GLU A 20 11.160 -16.773 -2.168 1.00 0.00 O ATOM 0 H GLU A 20 6.003 -13.799 -1.094 1.00 0.00 H new ATOM 0 HA GLU A 20 8.546 -13.511 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.359 -15.769 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.306 -14.876 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.545 -14.303 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.548 -14.134 -0.452 1.00 0.00 H new ATOM 296 N THR A 21 7.119 -11.466 -1.180 1.00 0.00 N ATOM 297 CA THR A 21 7.178 -10.089 -1.627 1.00 0.00 C ATOM 298 C THR A 21 8.231 -9.358 -0.767 1.00 0.00 C ATOM 299 O THR A 21 8.483 -9.738 0.382 1.00 0.00 O ATOM 300 CB THR A 21 5.734 -9.575 -1.500 1.00 0.00 C ATOM 301 OG1 THR A 21 4.899 -10.275 -2.409 1.00 0.00 O ATOM 302 CG2 THR A 21 5.573 -8.085 -1.739 1.00 0.00 C ATOM 0 H THR A 21 6.219 -11.720 -0.772 1.00 0.00 H new ATOM 0 HA THR A 21 7.501 -9.934 -2.656 1.00 0.00 H new ATOM 0 HB THR A 21 5.447 -9.756 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.432 -10.995 -1.936 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.524 -7.810 -1.629 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.170 -7.533 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.909 -7.840 -2.747 1.00 0.00 H new ATOM 310 N ASN A 22 8.884 -8.314 -1.294 1.00 0.00 N ATOM 311 CA ASN A 22 9.784 -7.470 -0.508 1.00 0.00 C ATOM 312 C ASN A 22 9.673 -6.007 -0.932 1.00 0.00 C ATOM 313 O ASN A 22 9.054 -5.687 -1.942 1.00 0.00 O ATOM 314 CB ASN A 22 11.244 -7.954 -0.506 1.00 0.00 C ATOM 315 CG ASN A 22 11.820 -8.208 -1.887 1.00 0.00 C ATOM 316 OD1 ASN A 22 11.596 -7.440 -2.812 1.00 0.00 O ATOM 317 ND2 ASN A 22 12.570 -9.284 -2.050 1.00 0.00 N ATOM 0 H ASN A 22 8.802 -8.034 -2.272 1.00 0.00 H new ATOM 0 HA ASN A 22 9.452 -7.554 0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.860 -7.211 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.309 -8.873 0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.976 -9.489 -2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.742 -9.909 -1.263 1.00 0.00 H new ATOM 324 N GLU A 23 10.250 -5.118 -0.126 1.00 0.00 N ATOM 325 CA GLU A 23 10.018 -3.664 -0.172 1.00 0.00 C ATOM 326 C GLU A 23 10.543 -3.019 -1.462 1.00 0.00 C ATOM 327 O GLU A 23 10.007 -2.011 -1.924 1.00 0.00 O ATOM 328 CB GLU A 23 10.619 -2.979 1.072 1.00 0.00 C ATOM 329 CG GLU A 23 9.945 -3.541 2.328 1.00 0.00 C ATOM 330 CD GLU A 23 10.543 -3.100 3.667 1.00 0.00 C ATOM 331 OE1 GLU A 23 11.261 -2.078 3.774 1.00 0.00 O ATOM 332 OE2 GLU A 23 10.425 -3.902 4.626 1.00 0.00 O ATOM 0 H GLU A 23 10.912 -5.391 0.600 1.00 0.00 H new ATOM 0 HA GLU A 23 8.938 -3.515 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.695 -3.151 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.471 -1.901 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.893 -3.254 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.980 -4.629 2.278 1.00 0.00 H new ATOM 339 N LYS A 24 11.563 -3.621 -2.067 1.00 0.00 N ATOM 340 CA LYS A 24 12.103 -3.221 -3.370 1.00 0.00 C ATOM 341 C LYS A 24 11.208 -3.693 -4.514 1.00 0.00 C ATOM 342 O LYS A 24 11.061 -2.986 -5.512 1.00 0.00 O ATOM 343 CB LYS A 24 13.546 -3.727 -3.536 1.00 0.00 C ATOM 344 CG LYS A 24 13.689 -5.248 -3.365 1.00 0.00 C ATOM 345 CD LYS A 24 15.153 -5.715 -3.358 1.00 0.00 C ATOM 346 CE LYS A 24 15.514 -6.159 -1.936 1.00 0.00 C ATOM 347 NZ LYS A 24 16.960 -6.356 -1.733 1.00 0.00 N ATOM 0 H LYS A 24 12.050 -4.419 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 24 12.122 -2.132 -3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.909 -3.445 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.184 -3.226 -2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.212 -5.550 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.157 -5.751 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.291 -6.538 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.810 -4.907 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.154 -5.413 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.993 -7.090 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.135 -6.655 -0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.306 -7.088 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.461 -5.464 -1.918 1.00 0.00 H new ATOM 361 N ALA A 25 10.594 -4.873 -4.387 1.00 0.00 N ATOM 362 CA ALA A 25 9.619 -5.341 -5.360 1.00 0.00 C ATOM 363 C ALA A 25 8.366 -4.469 -5.284 1.00 0.00 C ATOM 364 O ALA A 25 7.821 -4.099 -6.315 1.00 0.00 O ATOM 365 CB ALA A 25 9.321 -6.821 -5.120 1.00 0.00 C ATOM 0 H ALA A 25 10.760 -5.519 -3.615 1.00 0.00 H new ATOM 0 HA ALA A 25 10.017 -5.253 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.590 -7.168 -5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.240 -7.398 -5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.920 -6.953 -4.115 1.00 0.00 H new ATOM 371 N LEU A 26 7.959 -4.073 -4.077 1.00 0.00 N ATOM 372 CA LEU A 26 6.893 -3.111 -3.812 1.00 0.00 C ATOM 373 C LEU A 26 7.123 -1.806 -4.573 1.00 0.00 C ATOM 374 O LEU A 26 6.225 -1.321 -5.264 1.00 0.00 O ATOM 375 CB LEU A 26 6.842 -2.831 -2.299 1.00 0.00 C ATOM 376 CG LEU A 26 5.658 -3.425 -1.535 1.00 0.00 C ATOM 377 CD1 LEU A 26 4.351 -2.831 -2.041 1.00 0.00 C ATOM 378 CD2 LEU A 26 5.607 -4.943 -1.625 1.00 0.00 C ATOM 0 H LEU A 26 8.383 -4.431 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 26 5.946 -3.532 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.761 -3.208 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.836 -1.751 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 26 5.797 -3.167 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.517 -3.263 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.362 -1.751 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.237 -3.053 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.748 -5.312 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.516 -5.243 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.521 -5.363 -1.205 1.00 0.00 H new ATOM 390 N GLU A 27 8.341 -1.264 -4.488 1.00 0.00 N ATOM 391 CA GLU A 27 8.727 -0.064 -5.219 1.00 0.00 C ATOM 392 C GLU A 27 8.485 -0.261 -6.712 1.00 0.00 C ATOM 393 O GLU A 27 7.956 0.624 -7.380 1.00 0.00 O ATOM 394 CB GLU A 27 10.206 0.256 -4.961 1.00 0.00 C ATOM 395 CG GLU A 27 10.353 1.229 -3.798 1.00 0.00 C ATOM 396 CD GLU A 27 10.232 2.715 -4.157 1.00 0.00 C ATOM 397 OE1 GLU A 27 9.950 3.072 -5.322 1.00 0.00 O ATOM 398 OE2 GLU A 27 10.476 3.540 -3.245 1.00 0.00 O ATOM 0 H GLU A 27 9.086 -1.650 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 27 8.120 0.772 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.749 -0.663 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.652 0.685 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.595 0.991 -3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.324 1.065 -3.331 1.00 0.00 H new ATOM 405 N ALA A 28 8.868 -1.423 -7.237 1.00 0.00 N ATOM 406 CA ALA A 28 8.641 -1.772 -8.636 1.00 0.00 C ATOM 407 C ALA A 28 7.151 -1.951 -8.974 1.00 0.00 C ATOM 408 O ALA A 28 6.755 -1.634 -10.096 1.00 0.00 O ATOM 409 CB ALA A 28 9.451 -3.013 -9.019 1.00 0.00 C ATOM 0 H ALA A 28 9.345 -2.149 -6.703 1.00 0.00 H new ATOM 0 HA ALA A 28 8.989 -0.930 -9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.269 -3.258 -10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.513 -2.814 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.149 -3.852 -8.392 1.00 0.00 H new ATOM 415 N VAL A 29 6.308 -2.423 -8.049 1.00 0.00 N ATOM 416 CA VAL A 29 4.865 -2.541 -8.272 1.00 0.00 C ATOM 417 C VAL A 29 4.269 -1.154 -8.512 1.00 0.00 C ATOM 418 O VAL A 29 3.499 -0.977 -9.463 1.00 0.00 O ATOM 419 CB VAL A 29 4.161 -3.282 -7.104 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.630 -3.219 -7.225 1.00 0.00 C ATOM 421 CG2 VAL A 29 4.550 -4.769 -7.110 1.00 0.00 C ATOM 0 H VAL A 29 6.608 -2.734 -7.125 1.00 0.00 H new ATOM 0 HA VAL A 29 4.697 -3.148 -9.161 1.00 0.00 H new ATOM 0 HB VAL A 29 4.479 -2.788 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.177 -3.750 -6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.307 -2.178 -7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.319 -3.684 -8.160 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.050 -5.279 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.246 -5.221 -8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.630 -4.863 -6.994 1.00 0.00 H new ATOM 431 N PHE A 30 4.571 -0.188 -7.644 1.00 0.00 N ATOM 432 CA PHE A 30 3.798 1.041 -7.574 1.00 0.00 C ATOM 433 C PHE A 30 4.552 2.250 -8.130 1.00 0.00 C ATOM 434 O PHE A 30 3.913 3.267 -8.392 1.00 0.00 O ATOM 435 CB PHE A 30 3.330 1.277 -6.131 1.00 0.00 C ATOM 436 CG PHE A 30 2.315 0.289 -5.595 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.943 0.474 -5.855 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.728 -0.784 -4.784 1.00 0.00 C ATOM 439 CE1 PHE A 30 0.008 -0.458 -5.382 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.782 -1.700 -4.295 1.00 0.00 C ATOM 441 CZ PHE A 30 0.425 -1.556 -4.613 1.00 0.00 C ATOM 0 H PHE A 30 5.346 -0.238 -6.982 1.00 0.00 H new ATOM 0 HA PHE A 30 2.925 0.921 -8.215 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.203 1.261 -5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.903 2.278 -6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.611 1.333 -6.419 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.773 -0.903 -4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.040 -0.330 -5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.103 -2.520 -3.670 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.295 -2.284 -4.269 1.00 0.00 H new ATOM 451 N GLY A 31 5.867 2.187 -8.343 1.00 0.00 N ATOM 452 CA GLY A 31 6.736 3.327 -8.651 1.00 0.00 C ATOM 453 C GLY A 31 6.659 3.771 -10.107 1.00 0.00 C ATOM 454 O GLY A 31 7.674 4.005 -10.760 1.00 0.00 O ATOM 0 H GLY A 31 6.378 1.305 -8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.465 4.165 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.767 3.063 -8.413 1.00 0.00 H new ATOM 458 N LYS A 32 5.440 3.822 -10.629 1.00 0.00 N ATOM 459 CA LYS A 32 5.074 4.258 -11.964 1.00 0.00 C ATOM 460 C LYS A 32 3.782 5.073 -11.960 1.00 0.00 C ATOM 461 O LYS A 32 3.427 5.625 -12.996 1.00 0.00 O ATOM 462 CB LYS A 32 4.986 3.036 -12.883 1.00 0.00 C ATOM 463 CG LYS A 32 3.979 1.970 -12.419 1.00 0.00 C ATOM 464 CD LYS A 32 4.139 0.727 -13.292 1.00 0.00 C ATOM 465 CE LYS A 32 3.173 -0.352 -12.817 1.00 0.00 C ATOM 466 NZ LYS A 32 3.354 -1.619 -13.550 1.00 0.00 N ATOM 0 H LYS A 32 4.624 3.538 -10.087 1.00 0.00 H new ATOM 0 HA LYS A 32 5.845 4.927 -12.346 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.712 3.367 -13.884 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.973 2.579 -12.958 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.150 1.720 -11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.962 2.354 -12.493 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.942 0.974 -14.335 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.165 0.361 -13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.320 -0.526 -11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.148 -0.003 -12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.677 -2.325 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.189 -1.460 -14.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.324 -1.967 -13.408 1.00 0.00 H new ATOM 480 N TYR A 33 3.095 5.186 -10.819 1.00 0.00 N ATOM 481 CA TYR A 33 1.992 6.128 -10.678 1.00 0.00 C ATOM 482 C TYR A 33 2.551 7.474 -10.207 1.00 0.00 C ATOM 483 O TYR A 33 2.231 8.496 -10.817 1.00 0.00 O ATOM 484 CB TYR A 33 0.896 5.540 -9.774 1.00 0.00 C ATOM 485 CG TYR A 33 0.380 4.211 -10.309 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.425 4.181 -11.464 1.00 0.00 C ATOM 487 CD2 TYR A 33 0.808 2.999 -9.732 1.00 0.00 C ATOM 488 CE1 TYR A 33 -0.772 2.956 -12.061 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.487 1.769 -10.334 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.291 1.744 -11.515 1.00 0.00 C ATOM 491 OH TYR A 33 -0.542 0.560 -12.142 1.00 0.00 O ATOM 0 H TYR A 33 3.287 4.635 -9.983 1.00 0.00 H new ATOM 0 HA TYR A 33 1.502 6.308 -11.635 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.291 5.399 -8.768 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.070 6.247 -9.696 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.779 5.106 -11.895 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.387 3.015 -8.820 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.405 2.941 -12.936 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.834 0.845 -9.895 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.138 -0.173 -11.632 1.00 0.00 H new ATOM 501 N GLY A 34 3.402 7.468 -9.174 1.00 0.00 N ATOM 502 CA GLY A 34 3.993 8.629 -8.520 1.00 0.00 C ATOM 503 C GLY A 34 4.968 8.241 -7.386 1.00 0.00 C ATOM 504 O GLY A 34 5.496 7.121 -7.346 1.00 0.00 O ATOM 0 H GLY A 34 3.712 6.594 -8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.523 9.228 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.199 9.255 -8.113 1.00 0.00 H new ATOM 508 N ARG A 35 5.287 9.190 -6.504 1.00 0.00 N ATOM 509 CA ARG A 35 6.361 9.169 -5.507 1.00 0.00 C ATOM 510 C ARG A 35 6.031 8.291 -4.304 1.00 0.00 C ATOM 511 O ARG A 35 5.133 8.597 -3.515 1.00 0.00 O ATOM 512 CB ARG A 35 6.626 10.610 -5.036 1.00 0.00 C ATOM 513 CG ARG A 35 7.409 11.414 -6.084 1.00 0.00 C ATOM 514 CD ARG A 35 8.920 11.175 -5.966 1.00 0.00 C ATOM 515 NE ARG A 35 9.499 12.040 -4.931 1.00 0.00 N ATOM 516 CZ ARG A 35 10.785 12.132 -4.588 1.00 0.00 C ATOM 517 NH1 ARG A 35 11.671 11.200 -4.929 1.00 0.00 N ATOM 518 NH2 ARG A 35 11.169 13.203 -3.915 1.00 0.00 N ATOM 0 H ARG A 35 4.760 10.062 -6.465 1.00 0.00 H new ATOM 0 HA ARG A 35 7.246 8.742 -5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.677 11.106 -4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.185 10.590 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.073 11.135 -7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.197 12.476 -5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.111 10.130 -5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.401 11.372 -6.924 1.00 0.00 H new ATOM 0 HE ARG A 35 8.848 12.635 -4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.374 10.387 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.648 11.299 -4.652 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.490 13.925 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.145 13.307 -3.636 1.00 0.00 H new ATOM 532 N ILE A 36 6.806 7.224 -4.125 1.00 0.00 N ATOM 533 CA ILE A 36 6.734 6.352 -2.961 1.00 0.00 C ATOM 534 C ILE A 36 7.620 6.940 -1.871 1.00 0.00 C ATOM 535 O ILE A 36 8.701 7.453 -2.174 1.00 0.00 O ATOM 536 CB ILE A 36 7.187 4.929 -3.379 1.00 0.00 C ATOM 537 CG1 ILE A 36 6.224 4.423 -4.480 1.00 0.00 C ATOM 538 CG2 ILE A 36 7.349 3.974 -2.176 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.439 3.000 -4.974 1.00 0.00 C ATOM 0 H ILE A 36 7.515 6.938 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 36 5.718 6.278 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 36 8.193 4.963 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.204 4.502 -4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.301 5.095 -5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.667 2.994 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.098 4.374 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.396 3.880 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.702 2.766 -5.742 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.441 2.908 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.328 2.305 -4.142 1.00 0.00 H new ATOM 551 N VAL A 37 7.196 6.853 -0.609 1.00 0.00 N ATOM 552 CA VAL A 37 7.949 7.416 0.509 1.00 0.00 C ATOM 553 C VAL A 37 7.887 6.550 1.781 1.00 0.00 C ATOM 554 O VAL A 37 8.501 6.909 2.790 1.00 0.00 O ATOM 555 CB VAL A 37 7.430 8.853 0.669 1.00 0.00 C ATOM 556 CG1 VAL A 37 6.019 8.888 1.257 1.00 0.00 C ATOM 557 CG2 VAL A 37 8.348 9.798 1.428 1.00 0.00 C ATOM 0 H VAL A 37 6.327 6.393 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 37 9.021 7.431 0.311 1.00 0.00 H new ATOM 0 HB VAL A 37 7.405 9.234 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.691 9.923 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.337 8.351 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.022 8.415 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.888 10.785 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.511 9.416 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.304 9.872 0.909 1.00 0.00 H new ATOM 567 N GLU A 38 7.160 5.426 1.764 1.00 0.00 N ATOM 568 CA GLU A 38 7.121 4.444 2.837 1.00 0.00 C ATOM 569 C GLU A 38 6.657 3.098 2.252 1.00 0.00 C ATOM 570 O GLU A 38 5.806 3.082 1.358 1.00 0.00 O ATOM 571 CB GLU A 38 6.135 4.937 3.902 1.00 0.00 C ATOM 572 CG GLU A 38 6.503 4.542 5.326 1.00 0.00 C ATOM 573 CD GLU A 38 6.466 3.035 5.502 1.00 0.00 C ATOM 574 OE1 GLU A 38 5.388 2.454 5.282 1.00 0.00 O ATOM 575 OE2 GLU A 38 7.563 2.451 5.708 1.00 0.00 O ATOM 0 H GLU A 38 6.566 5.174 0.974 1.00 0.00 H new ATOM 0 HA GLU A 38 8.104 4.313 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.069 6.023 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.144 4.545 3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.499 4.915 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.812 5.010 6.027 1.00 0.00 H new ATOM 582 N VAL A 39 7.187 1.984 2.768 1.00 0.00 N ATOM 583 CA VAL A 39 6.879 0.610 2.404 1.00 0.00 C ATOM 584 C VAL A 39 6.971 -0.312 3.648 1.00 0.00 C ATOM 585 O VAL A 39 7.899 -1.115 3.788 1.00 0.00 O ATOM 586 CB VAL A 39 7.797 0.130 1.249 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.154 -1.138 0.707 1.00 0.00 C ATOM 588 CG2 VAL A 39 7.961 1.107 0.065 1.00 0.00 C ATOM 0 H VAL A 39 7.892 2.030 3.503 1.00 0.00 H new ATOM 0 HA VAL A 39 5.853 0.561 2.038 1.00 0.00 H new ATOM 0 HB VAL A 39 8.797 0.010 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.755 -1.529 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.095 -1.883 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.151 -0.912 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.623 0.667 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.987 1.302 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.389 2.043 0.423 1.00 0.00 H new ATOM 598 N LEU A 40 5.996 -0.232 4.551 1.00 0.00 N ATOM 599 CA LEU A 40 5.885 -1.080 5.740 1.00 0.00 C ATOM 600 C LEU A 40 5.293 -2.438 5.370 1.00 0.00 C ATOM 601 O LEU A 40 4.090 -2.701 5.477 1.00 0.00 O ATOM 602 CB LEU A 40 5.084 -0.381 6.847 1.00 0.00 C ATOM 603 CG LEU A 40 6.000 0.206 7.932 1.00 0.00 C ATOM 604 CD1 LEU A 40 5.224 1.251 8.728 1.00 0.00 C ATOM 605 CD2 LEU A 40 6.491 -0.889 8.890 1.00 0.00 C ATOM 0 H LEU A 40 5.237 0.445 4.475 1.00 0.00 H new ATOM 0 HA LEU A 40 6.884 -1.254 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.481 0.415 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.394 -1.092 7.300 1.00 0.00 H new ATOM 0 HG LEU A 40 6.865 0.658 7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.868 1.672 9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.892 2.045 8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.357 0.783 9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.137 -0.446 9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.635 -1.360 9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.050 -1.639 8.330 1.00 0.00 H new ATOM 617 N LEU A 41 6.165 -3.337 4.934 1.00 0.00 N ATOM 618 CA LEU A 41 5.797 -4.691 4.553 1.00 0.00 C ATOM 619 C LEU A 41 5.642 -5.538 5.813 1.00 0.00 C ATOM 620 O LEU A 41 6.606 -5.706 6.564 1.00 0.00 O ATOM 621 CB LEU A 41 6.863 -5.241 3.606 1.00 0.00 C ATOM 622 CG LEU A 41 6.322 -6.318 2.659 1.00 0.00 C ATOM 623 CD1 LEU A 41 7.396 -6.574 1.616 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.030 -7.656 3.330 1.00 0.00 C ATOM 0 H LEU A 41 7.161 -3.142 4.834 1.00 0.00 H new ATOM 0 HA LEU A 41 4.843 -4.709 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.277 -4.422 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.682 -5.658 4.192 1.00 0.00 H new ATOM 0 HG LEU A 41 5.380 -5.946 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.051 -7.337 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.602 -5.652 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.306 -6.917 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.651 -8.360 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.946 -8.050 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.284 -7.516 4.112 1.00 0.00 H new ATOM 636 N MET A 42 4.448 -6.071 6.063 1.00 0.00 N ATOM 637 CA MET A 42 4.144 -6.880 7.241 1.00 0.00 C ATOM 638 C MET A 42 4.754 -8.276 7.072 1.00 0.00 C ATOM 639 O MET A 42 4.406 -8.992 6.128 1.00 0.00 O ATOM 640 CB MET A 42 2.621 -6.932 7.460 1.00 0.00 C ATOM 641 CG MET A 42 1.986 -5.532 7.470 1.00 0.00 C ATOM 642 SD MET A 42 2.753 -4.315 8.577 1.00 0.00 S ATOM 643 CE MET A 42 2.031 -4.825 10.153 1.00 0.00 C ATOM 0 H MET A 42 3.649 -5.950 5.440 1.00 0.00 H new ATOM 0 HA MET A 42 4.585 -6.431 8.131 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.163 -7.531 6.673 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.409 -7.432 8.405 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.012 -5.136 6.455 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.936 -5.633 7.746 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.626 -3.953 10.667 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.231 -5.543 9.971 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.799 -5.287 10.773 1.00 0.00 H new ATOM 653 N LYS A 43 5.679 -8.672 7.955 1.00 0.00 N ATOM 654 CA LYS A 43 6.436 -9.919 7.828 1.00 0.00 C ATOM 655 C LYS A 43 6.172 -10.847 8.994 1.00 0.00 C ATOM 656 O LYS A 43 5.701 -10.445 10.058 1.00 0.00 O ATOM 657 CB LYS A 43 7.946 -9.683 7.677 1.00 0.00 C ATOM 658 CG LYS A 43 8.238 -8.792 6.476 1.00 0.00 C ATOM 659 CD LYS A 43 9.732 -8.533 6.251 1.00 0.00 C ATOM 660 CE LYS A 43 9.943 -7.268 5.407 1.00 0.00 C ATOM 661 NZ LYS A 43 9.792 -6.044 6.222 1.00 0.00 N ATOM 0 H LYS A 43 5.924 -8.130 8.784 1.00 0.00 H new ATOM 0 HA LYS A 43 6.084 -10.392 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.338 -9.220 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.458 -10.638 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.819 -9.254 5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.729 -7.838 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.236 -8.423 7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.183 -9.390 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.937 -7.289 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.225 -7.252 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.242 -5.244 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.781 -5.841 6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.246 -6.185 7.147 1.00 0.00 H new ATOM 675 N ASP A 44 6.459 -12.106 8.721 1.00 0.00 N ATOM 676 CA ASP A 44 6.270 -13.242 9.611 1.00 0.00 C ATOM 677 C ASP A 44 7.524 -13.494 10.443 1.00 0.00 C ATOM 678 O ASP A 44 8.628 -13.126 10.031 1.00 0.00 O ATOM 679 CB ASP A 44 5.934 -14.521 8.817 1.00 0.00 C ATOM 680 CG ASP A 44 4.836 -15.312 9.523 1.00 0.00 C ATOM 681 OD1 ASP A 44 4.871 -15.348 10.781 1.00 0.00 O ATOM 682 OD2 ASP A 44 3.952 -15.882 8.857 1.00 0.00 O ATOM 0 H ASP A 44 6.853 -12.382 7.821 1.00 0.00 H new ATOM 0 HA ASP A 44 5.437 -12.999 10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.611 -14.257 7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.827 -15.138 8.714 1.00 0.00 H new ATOM 687 N ARG A 45 7.375 -14.206 11.566 1.00 0.00 N ATOM 688 CA ARG A 45 8.498 -14.700 12.371 1.00 0.00 C ATOM 689 C ARG A 45 9.177 -15.892 11.710 1.00 0.00 C ATOM 690 O ARG A 45 10.352 -16.145 11.980 1.00 0.00 O ATOM 691 CB ARG A 45 7.999 -15.081 13.783 1.00 0.00 C ATOM 692 CG ARG A 45 9.136 -15.377 14.785 1.00 0.00 C ATOM 693 CD ARG A 45 9.399 -16.862 15.098 1.00 0.00 C ATOM 694 NE ARG A 45 10.731 -17.025 15.714 1.00 0.00 N ATOM 695 CZ ARG A 45 11.126 -17.856 16.689 1.00 0.00 C ATOM 696 NH1 ARG A 45 10.288 -18.680 17.301 1.00 0.00 N ATOM 697 NH2 ARG A 45 12.401 -17.860 17.063 1.00 0.00 N ATOM 0 H ARG A 45 6.462 -14.458 11.945 1.00 0.00 H new ATOM 0 HA ARG A 45 9.237 -13.903 12.450 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.385 -14.269 14.173 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.356 -15.958 13.707 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.056 -14.941 14.397 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.910 -14.865 15.720 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.630 -17.241 15.771 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.339 -17.450 14.182 1.00 0.00 H new ATOM 0 HE ARG A 45 11.459 -16.415 15.342 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.304 -18.697 17.034 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.627 -19.297 18.039 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.067 -17.235 16.609 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.713 -18.488 17.804 1.00 0.00 H new ATOM 711 N GLU A 46 8.448 -16.608 10.855 1.00 0.00 N ATOM 712 CA GLU A 46 8.748 -17.957 10.418 1.00 0.00 C ATOM 713 C GLU A 46 10.132 -17.969 9.774 1.00 0.00 C ATOM 714 O GLU A 46 11.058 -18.609 10.273 1.00 0.00 O ATOM 715 CB GLU A 46 7.659 -18.428 9.432 1.00 0.00 C ATOM 716 CG GLU A 46 6.204 -18.256 9.917 1.00 0.00 C ATOM 717 CD GLU A 46 5.590 -19.519 10.498 1.00 0.00 C ATOM 718 OE1 GLU A 46 5.453 -20.504 9.740 1.00 0.00 O ATOM 719 OE2 GLU A 46 5.299 -19.532 11.720 1.00 0.00 O ATOM 0 H GLU A 46 7.595 -16.240 10.433 1.00 0.00 H new ATOM 0 HA GLU A 46 8.755 -18.645 11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.779 -17.881 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.827 -19.482 9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.174 -17.470 10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.591 -17.918 9.081 1.00 0.00 H new ATOM 726 N THR A 47 10.272 -17.228 8.675 1.00 0.00 N ATOM 727 CA THR A 47 11.422 -17.355 7.788 1.00 0.00 C ATOM 728 C THR A 47 11.499 -16.121 6.879 1.00 0.00 C ATOM 729 O THR A 47 11.642 -16.227 5.663 1.00 0.00 O ATOM 730 CB THR A 47 11.354 -18.743 7.097 1.00 0.00 C ATOM 731 OG1 THR A 47 12.503 -18.998 6.328 1.00 0.00 O ATOM 732 CG2 THR A 47 10.029 -19.123 6.420 1.00 0.00 C ATOM 0 H THR A 47 9.594 -16.527 8.378 1.00 0.00 H new ATOM 0 HA THR A 47 12.378 -17.351 8.312 1.00 0.00 H new ATOM 0 HB THR A 47 11.357 -19.453 7.924 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.668 -18.243 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.118 -20.115 5.977 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.230 -19.127 7.161 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.798 -18.397 5.640 1.00 0.00 H new ATOM 740 N ASN A 48 11.318 -14.920 7.462 1.00 0.00 N ATOM 741 CA ASN A 48 11.186 -13.628 6.754 1.00 0.00 C ATOM 742 C ASN A 48 10.138 -13.646 5.631 1.00 0.00 C ATOM 743 O ASN A 48 10.148 -12.788 4.740 1.00 0.00 O ATOM 744 CB ASN A 48 12.539 -13.090 6.245 1.00 0.00 C ATOM 745 CG ASN A 48 13.529 -12.715 7.333 1.00 0.00 C ATOM 746 OD1 ASN A 48 14.674 -13.150 7.305 1.00 0.00 O ATOM 747 ND2 ASN A 48 13.139 -11.912 8.309 1.00 0.00 N ATOM 0 H ASN A 48 11.257 -14.817 8.475 1.00 0.00 H new ATOM 0 HA ASN A 48 10.818 -12.933 7.509 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.995 -13.844 5.604 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.354 -12.213 5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.793 -11.650 9.046 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.184 -11.555 8.324 1.00 0.00 H new ATOM 754 N LYS A 49 9.220 -14.612 5.666 1.00 0.00 N ATOM 755 CA LYS A 49 8.040 -14.650 4.819 1.00 0.00 C ATOM 756 C LYS A 49 7.192 -13.424 5.108 1.00 0.00 C ATOM 757 O LYS A 49 7.249 -12.870 6.205 1.00 0.00 O ATOM 758 CB LYS A 49 7.271 -15.962 5.077 1.00 0.00 C ATOM 759 CG LYS A 49 7.525 -17.043 4.014 1.00 0.00 C ATOM 760 CD LYS A 49 9.003 -17.217 3.636 1.00 0.00 C ATOM 761 CE LYS A 49 9.192 -18.436 2.739 1.00 0.00 C ATOM 762 NZ LYS A 49 8.943 -18.144 1.311 1.00 0.00 N ATOM 0 H LYS A 49 9.283 -15.407 6.302 1.00 0.00 H new ATOM 0 HA LYS A 49 8.315 -14.631 3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.553 -16.352 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.203 -15.746 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.141 -17.995 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.959 -16.795 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.360 -16.324 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.604 -17.327 4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.208 -18.813 2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.519 -19.229 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.868 -19.036 0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.056 -17.610 1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.729 -17.580 0.930 1.00 0.00 H new ATOM 776 N SER A 50 6.420 -12.993 4.129 1.00 0.00 N ATOM 777 CA SER A 50 5.480 -11.905 4.297 1.00 0.00 C ATOM 778 C SER A 50 4.193 -12.466 4.912 1.00 0.00 C ATOM 779 O SER A 50 3.987 -13.678 4.884 1.00 0.00 O ATOM 780 CB SER A 50 5.221 -11.289 2.929 1.00 0.00 C ATOM 781 OG SER A 50 6.376 -11.228 2.107 1.00 0.00 O ATOM 0 H SER A 50 6.429 -13.391 3.190 1.00 0.00 H new ATOM 0 HA SER A 50 5.870 -11.133 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.452 -11.868 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.826 -10.282 3.062 1.00 0.00 H new ATOM 0 HG SER A 50 6.116 -10.976 1.196 1.00 0.00 H new ATOM 787 N ARG A 51 3.299 -11.617 5.430 1.00 0.00 N ATOM 788 CA ARG A 51 2.027 -12.085 6.006 1.00 0.00 C ATOM 789 C ARG A 51 0.865 -12.008 5.012 1.00 0.00 C ATOM 790 O ARG A 51 -0.291 -12.050 5.431 1.00 0.00 O ATOM 791 CB ARG A 51 1.740 -11.396 7.354 1.00 0.00 C ATOM 792 CG ARG A 51 2.913 -11.631 8.324 1.00 0.00 C ATOM 793 CD ARG A 51 2.568 -11.461 9.805 1.00 0.00 C ATOM 794 NE ARG A 51 2.260 -10.068 10.171 1.00 0.00 N ATOM 795 CZ ARG A 51 1.407 -9.705 11.135 1.00 0.00 C ATOM 796 NH1 ARG A 51 0.947 -10.599 12.005 1.00 0.00 N ATOM 797 NH2 ARG A 51 1.011 -8.442 11.218 1.00 0.00 N ATOM 0 H ARG A 51 3.429 -10.606 5.464 1.00 0.00 H new ATOM 0 HA ARG A 51 2.133 -13.148 6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.592 -10.327 7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.818 -11.788 7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.297 -12.639 8.169 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.718 -10.941 8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.712 -12.091 10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.404 -11.813 10.409 1.00 0.00 H new ATOM 0 HE ARG A 51 2.731 -9.327 9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.244 -11.573 11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.297 -10.311 12.736 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.357 -7.754 10.549 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.361 -8.159 11.951 1.00 0.00 H new ATOM 811 N GLY A 52 1.143 -11.845 3.718 1.00 0.00 N ATOM 812 CA GLY A 52 0.130 -11.819 2.669 1.00 0.00 C ATOM 813 C GLY A 52 -0.583 -10.476 2.556 1.00 0.00 C ATOM 814 O GLY A 52 -1.512 -10.332 1.757 1.00 0.00 O ATOM 0 H GLY A 52 2.093 -11.726 3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.599 -12.056 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.606 -12.599 2.864 1.00 0.00 H new ATOM 818 N PHE A 53 -0.156 -9.476 3.329 1.00 0.00 N ATOM 819 CA PHE A 53 -0.676 -8.125 3.300 1.00 0.00 C ATOM 820 C PHE A 53 0.479 -7.176 3.606 1.00 0.00 C ATOM 821 O PHE A 53 1.508 -7.595 4.147 1.00 0.00 O ATOM 822 CB PHE A 53 -1.859 -8.008 4.277 1.00 0.00 C ATOM 823 CG PHE A 53 -1.531 -7.718 5.729 1.00 0.00 C ATOM 824 CD1 PHE A 53 -1.017 -8.728 6.565 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.828 -6.453 6.267 1.00 0.00 C ATOM 826 CE1 PHE A 53 -0.804 -8.477 7.932 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.643 -6.212 7.637 1.00 0.00 C ATOM 828 CZ PHE A 53 -1.132 -7.221 8.470 1.00 0.00 C ATOM 0 H PHE A 53 0.589 -9.598 4.015 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.073 -7.856 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.519 -7.220 3.916 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.424 -8.940 4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.785 -9.700 6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.198 -5.667 5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.390 -9.247 8.566 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.894 -5.247 8.052 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.991 -7.031 9.524 1.00 0.00 H new ATOM 838 N ALA A 54 0.342 -5.909 3.226 1.00 0.00 N ATOM 839 CA ALA A 54 1.368 -4.896 3.416 1.00 0.00 C ATOM 840 C ALA A 54 0.727 -3.525 3.583 1.00 0.00 C ATOM 841 O ALA A 54 -0.478 -3.339 3.382 1.00 0.00 O ATOM 842 CB ALA A 54 2.341 -4.895 2.226 1.00 0.00 C ATOM 0 H ALA A 54 -0.499 -5.555 2.771 1.00 0.00 H new ATOM 0 HA ALA A 54 1.930 -5.129 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.104 -4.132 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.816 -5.872 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.793 -4.680 1.308 1.00 0.00 H new ATOM 848 N PHE A 55 1.565 -2.551 3.915 1.00 0.00 N ATOM 849 CA PHE A 55 1.246 -1.143 3.895 1.00 0.00 C ATOM 850 C PHE A 55 2.286 -0.470 2.998 1.00 0.00 C ATOM 851 O PHE A 55 3.415 -0.945 2.866 1.00 0.00 O ATOM 852 CB PHE A 55 1.247 -0.645 5.352 1.00 0.00 C ATOM 853 CG PHE A 55 1.151 0.851 5.579 1.00 0.00 C ATOM 854 CD1 PHE A 55 0.337 1.661 4.766 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.876 1.440 6.631 1.00 0.00 C ATOM 856 CE1 PHE A 55 0.292 3.049 4.965 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.817 2.824 6.846 1.00 0.00 C ATOM 858 CZ PHE A 55 1.025 3.626 6.015 1.00 0.00 C ATOM 0 H PHE A 55 2.522 -2.736 4.216 1.00 0.00 H new ATOM 0 HA PHE A 55 0.262 -0.912 3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.413 -1.118 5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.161 -1.000 5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.257 1.211 3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.482 0.822 7.277 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.304 3.671 4.314 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.381 3.271 7.651 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.978 4.692 6.182 1.00 0.00 H new ATOM 868 N VAL A 56 1.864 0.604 2.344 1.00 0.00 N ATOM 869 CA VAL A 56 2.610 1.436 1.426 1.00 0.00 C ATOM 870 C VAL A 56 2.076 2.846 1.694 1.00 0.00 C ATOM 871 O VAL A 56 0.864 3.010 1.886 1.00 0.00 O ATOM 872 CB VAL A 56 2.316 0.972 -0.020 1.00 0.00 C ATOM 873 CG1 VAL A 56 2.888 1.933 -1.054 1.00 0.00 C ATOM 874 CG2 VAL A 56 2.872 -0.419 -0.353 1.00 0.00 C ATOM 0 H VAL A 56 0.907 0.939 2.456 1.00 0.00 H new ATOM 0 HA VAL A 56 3.691 1.389 1.554 1.00 0.00 H new ATOM 0 HB VAL A 56 1.227 0.943 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.658 1.569 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.446 2.920 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.969 1.999 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.625 -0.672 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.955 -0.417 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.432 -1.157 0.318 1.00 0.00 H new ATOM 884 N THR A 57 2.947 3.853 1.677 1.00 0.00 N ATOM 885 CA THR A 57 2.540 5.248 1.759 1.00 0.00 C ATOM 886 C THR A 57 3.149 5.988 0.580 1.00 0.00 C ATOM 887 O THR A 57 4.360 5.916 0.341 1.00 0.00 O ATOM 888 CB THR A 57 2.996 5.893 3.066 1.00 0.00 C ATOM 889 OG1 THR A 57 2.835 5.050 4.186 1.00 0.00 O ATOM 890 CG2 THR A 57 2.139 7.110 3.397 1.00 0.00 C ATOM 0 H THR A 57 3.956 3.721 1.606 1.00 0.00 H new ATOM 0 HA THR A 57 1.452 5.303 1.733 1.00 0.00 H new ATOM 0 HB THR A 57 4.046 6.132 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.905 4.746 4.235 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.482 7.553 4.332 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.224 7.844 2.595 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.098 6.804 3.501 1.00 0.00 H new ATOM 898 N PHE A 58 2.315 6.675 -0.189 1.00 0.00 N ATOM 899 CA PHE A 58 2.768 7.592 -1.213 1.00 0.00 C ATOM 900 C PHE A 58 2.898 8.961 -0.589 1.00 0.00 C ATOM 901 O PHE A 58 2.190 9.309 0.360 1.00 0.00 O ATOM 902 CB PHE A 58 1.814 7.615 -2.412 1.00 0.00 C ATOM 903 CG PHE A 58 1.628 6.240 -3.009 1.00 0.00 C ATOM 904 CD1 PHE A 58 0.724 5.345 -2.409 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.473 5.790 -4.038 1.00 0.00 C ATOM 906 CE1 PHE A 58 0.672 4.006 -2.822 1.00 0.00 C ATOM 907 CE2 PHE A 58 2.410 4.449 -4.442 1.00 0.00 C ATOM 908 CZ PHE A 58 1.514 3.555 -3.843 1.00 0.00 C ATOM 0 H PHE A 58 1.300 6.608 -0.115 1.00 0.00 H new ATOM 0 HA PHE A 58 3.734 7.265 -1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.847 8.009 -2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.203 8.292 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.066 5.691 -1.626 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.164 6.471 -4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.019 3.323 -2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.063 4.100 -5.228 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.474 2.526 -4.167 1.00 0.00 H new ATOM 918 N GLU A 59 3.839 9.723 -1.119 1.00 0.00 N ATOM 919 CA GLU A 59 4.113 11.072 -0.706 1.00 0.00 C ATOM 920 C GLU A 59 2.902 11.942 -1.055 1.00 0.00 C ATOM 921 O GLU A 59 2.174 12.392 -0.163 1.00 0.00 O ATOM 922 CB GLU A 59 5.443 11.451 -1.362 1.00 0.00 C ATOM 923 CG GLU A 59 6.193 12.560 -0.615 1.00 0.00 C ATOM 924 CD GLU A 59 5.676 13.959 -0.957 1.00 0.00 C ATOM 925 OE1 GLU A 59 4.640 14.383 -0.421 1.00 0.00 O ATOM 926 OE2 GLU A 59 6.328 14.661 -1.774 1.00 0.00 O ATOM 0 H GLU A 59 4.448 9.402 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 59 4.241 11.212 0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.078 10.567 -1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.256 11.774 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.100 12.396 0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.254 12.501 -0.856 1.00 0.00 H new ATOM 933 N SER A 60 2.622 12.086 -2.349 1.00 0.00 N ATOM 934 CA SER A 60 1.537 12.903 -2.860 1.00 0.00 C ATOM 935 C SER A 60 0.219 12.119 -2.726 1.00 0.00 C ATOM 936 O SER A 60 0.196 10.895 -2.897 1.00 0.00 O ATOM 937 CB SER A 60 1.920 13.294 -4.295 1.00 0.00 C ATOM 938 OG SER A 60 0.835 13.608 -5.150 1.00 0.00 O ATOM 0 H SER A 60 3.159 11.625 -3.083 1.00 0.00 H new ATOM 0 HA SER A 60 1.378 13.825 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.588 14.154 -4.253 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.484 12.474 -4.739 1.00 0.00 H new ATOM 0 HG SER A 60 0.922 13.105 -5.987 1.00 0.00 H new ATOM 944 N PRO A 61 -0.910 12.790 -2.437 1.00 0.00 N ATOM 945 CA PRO A 61 -2.174 12.115 -2.186 1.00 0.00 C ATOM 946 C PRO A 61 -2.844 11.647 -3.482 1.00 0.00 C ATOM 947 O PRO A 61 -3.540 10.630 -3.464 1.00 0.00 O ATOM 948 CB PRO A 61 -3.014 13.149 -1.437 1.00 0.00 C ATOM 949 CG PRO A 61 -2.542 14.482 -2.013 1.00 0.00 C ATOM 950 CD PRO A 61 -1.053 14.227 -2.242 1.00 0.00 C ATOM 0 HA PRO A 61 -2.045 11.200 -1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.080 12.996 -1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.848 13.096 -0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.059 14.731 -2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.712 15.307 -1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.694 14.775 -3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.465 14.564 -1.388 1.00 0.00 H new ATOM 958 N ALA A 62 -2.619 12.348 -4.601 1.00 0.00 N ATOM 959 CA ALA A 62 -3.165 11.972 -5.901 1.00 0.00 C ATOM 960 C ALA A 62 -2.507 10.693 -6.410 1.00 0.00 C ATOM 961 O ALA A 62 -3.148 9.873 -7.063 1.00 0.00 O ATOM 962 CB ALA A 62 -2.957 13.105 -6.908 1.00 0.00 C ATOM 0 H ALA A 62 -2.050 13.194 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.234 11.790 -5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.368 12.813 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.463 14.003 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.891 13.307 -7.014 1.00 0.00 H new ATOM 968 N ASP A 63 -1.251 10.470 -6.040 1.00 0.00 N ATOM 969 CA ASP A 63 -0.505 9.269 -6.386 1.00 0.00 C ATOM 970 C ASP A 63 -1.231 8.078 -5.768 1.00 0.00 C ATOM 971 O ASP A 63 -1.437 7.058 -6.423 1.00 0.00 O ATOM 972 CB ASP A 63 0.951 9.360 -5.888 1.00 0.00 C ATOM 973 CG ASP A 63 1.739 10.597 -6.351 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.147 11.591 -6.831 1.00 0.00 O ATOM 975 OD2 ASP A 63 2.977 10.606 -6.189 1.00 0.00 O ATOM 0 H ASP A 63 -0.714 11.132 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.456 9.153 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.944 9.343 -4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.484 8.468 -6.217 1.00 0.00 H new ATOM 980 N ALA A 64 -1.716 8.242 -4.531 1.00 0.00 N ATOM 981 CA ALA A 64 -2.530 7.253 -3.842 1.00 0.00 C ATOM 982 C ALA A 64 -3.990 7.228 -4.321 1.00 0.00 C ATOM 983 O ALA A 64 -4.754 6.393 -3.830 1.00 0.00 O ATOM 984 CB ALA A 64 -2.461 7.487 -2.329 1.00 0.00 C ATOM 0 H ALA A 64 -1.547 9.082 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.116 6.274 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.072 6.744 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.427 7.399 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.834 8.485 -2.098 1.00 0.00 H new ATOM 990 N LYS A 65 -4.444 8.115 -5.217 1.00 0.00 N ATOM 991 CA LYS A 65 -5.629 7.805 -6.010 1.00 0.00 C ATOM 992 C LYS A 65 -5.206 6.753 -7.003 1.00 0.00 C ATOM 993 O LYS A 65 -5.680 5.632 -6.878 1.00 0.00 O ATOM 994 CB LYS A 65 -6.261 8.995 -6.745 1.00 0.00 C ATOM 995 CG LYS A 65 -7.159 9.810 -5.822 1.00 0.00 C ATOM 996 CD LYS A 65 -7.924 10.848 -6.653 1.00 0.00 C ATOM 997 CE LYS A 65 -8.989 11.540 -5.806 1.00 0.00 C ATOM 998 NZ LYS A 65 -10.158 10.681 -5.516 1.00 0.00 N ATOM 0 H LYS A 65 -4.021 9.024 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.411 7.472 -5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.475 9.634 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.842 8.633 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.858 9.155 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.561 10.307 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.229 11.589 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.392 10.362 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.542 11.862 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.327 12.438 -6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.872 11.230 -4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.567 10.338 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.858 9.870 -4.938 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.363 7.103 -7.973 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.096 6.285 -9.157 1.00 0.00 C ATOM 1014 C ASP A 66 -3.605 4.893 -8.767 1.00 0.00 C ATOM 1015 O ASP A 66 -4.099 3.895 -9.296 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.074 6.969 -10.064 1.00 0.00 C ATOM 1017 CG ASP A 66 -3.688 7.449 -11.381 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -4.339 8.529 -11.402 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -3.457 6.800 -12.417 1.00 0.00 O ATOM 0 H ASP A 66 -3.837 7.977 -7.959 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.033 6.175 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.638 7.819 -9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.261 6.275 -10.277 1.00 0.00 H new ATOM 1024 N ALA A 67 -2.704 4.827 -7.780 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.135 3.603 -7.227 1.00 0.00 C ATOM 1026 C ALA A 67 -3.168 2.698 -6.528 1.00 0.00 C ATOM 1027 O ALA A 67 -2.792 1.624 -6.061 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.018 3.982 -6.245 1.00 0.00 C ATOM 0 H ALA A 67 -2.339 5.665 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.746 3.020 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.582 3.077 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.247 4.545 -6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.431 4.594 -5.443 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.436 3.120 -6.447 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.604 2.346 -6.025 1.00 0.00 C ATOM 1036 C ALA A 68 -6.701 2.323 -7.116 1.00 0.00 C ATOM 1037 O ALA A 68 -7.583 1.458 -7.115 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.138 2.946 -4.712 1.00 0.00 C ATOM 0 H ALA A 68 -4.687 4.078 -6.692 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.308 1.309 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.010 2.381 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.363 2.896 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.420 3.986 -4.876 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.695 3.304 -8.029 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.766 3.577 -8.973 1.00 0.00 C ATOM 1046 C ARG A 69 -7.646 2.686 -10.195 1.00 0.00 C ATOM 1047 O ARG A 69 -8.664 2.123 -10.611 1.00 0.00 O ATOM 1048 CB ARG A 69 -7.676 5.055 -9.369 1.00 0.00 C ATOM 1049 CG ARG A 69 -8.987 5.618 -9.884 1.00 0.00 C ATOM 1050 CD ARG A 69 -8.847 7.142 -9.965 1.00 0.00 C ATOM 1051 NE ARG A 69 -9.971 7.793 -10.652 1.00 0.00 N ATOM 1052 CZ ARG A 69 -9.898 8.336 -11.874 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -8.917 7.994 -12.708 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -10.810 9.226 -12.252 1.00 0.00 N ATOM 0 H ARG A 69 -5.910 3.948 -8.127 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.733 3.368 -8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.353 5.636 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.911 5.173 -10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.221 5.204 -10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.807 5.345 -9.219 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.763 7.546 -8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.921 7.388 -10.485 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.867 7.834 -10.166 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.214 7.314 -12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.868 8.412 -13.637 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.559 9.491 -11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.761 9.644 -13.181 1.00 0.00 H new ATOM 1068 N ASP A 70 -6.429 2.554 -10.726 1.00 0.00 N ATOM 1069 CA ASP A 70 -6.096 1.634 -11.809 1.00 0.00 C ATOM 1070 C ASP A 70 -5.517 0.363 -11.192 1.00 0.00 C ATOM 1071 O ASP A 70 -5.982 -0.736 -11.483 1.00 0.00 O ATOM 1072 CB ASP A 70 -5.100 2.283 -12.788 1.00 0.00 C ATOM 1073 CG ASP A 70 -5.763 2.699 -14.103 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -6.880 3.274 -14.075 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -5.148 2.478 -15.169 1.00 0.00 O ATOM 0 H ASP A 70 -5.629 3.099 -10.405 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.990 1.388 -12.381 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.650 3.158 -12.318 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.291 1.583 -12.997 1.00 0.00 H new ATOM 1080 N MET A 71 -4.530 0.485 -10.304 1.00 0.00 N ATOM 1081 CA MET A 71 -3.997 -0.635 -9.550 1.00 0.00 C ATOM 1082 C MET A 71 -5.009 -1.082 -8.495 1.00 0.00 C ATOM 1083 O MET A 71 -5.163 -0.426 -7.478 1.00 0.00 O ATOM 1084 CB MET A 71 -2.622 -0.258 -8.972 1.00 0.00 C ATOM 1085 CG MET A 71 -2.162 -1.202 -7.861 1.00 0.00 C ATOM 1086 SD MET A 71 -2.359 -2.980 -8.164 1.00 0.00 S ATOM 1087 CE MET A 71 -0.783 -3.242 -8.987 1.00 0.00 C ATOM 0 H MET A 71 -4.078 1.374 -10.091 1.00 0.00 H new ATOM 0 HA MET A 71 -3.836 -1.496 -10.199 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.883 -0.262 -9.774 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.664 0.759 -8.583 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.108 -1.006 -7.663 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.709 -0.950 -6.953 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.593 -4.312 -9.077 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.812 -2.794 -9.980 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.013 -2.780 -8.404 1.00 0.00 H new ATOM 1097 N ASN A 72 -5.697 -2.192 -8.736 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.570 -2.994 -7.925 1.00 0.00 C ATOM 1099 C ASN A 72 -6.621 -4.382 -8.551 1.00 0.00 C ATOM 1100 O ASN A 72 -6.312 -4.533 -9.735 1.00 0.00 O ATOM 1101 CB ASN A 72 -7.955 -2.377 -7.959 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.462 -2.022 -9.355 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -8.811 -2.899 -10.140 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -8.517 -0.745 -9.698 1.00 0.00 N ATOM 0 H ASN A 72 -5.633 -2.606 -9.666 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.220 -3.050 -6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.658 -3.070 -7.498 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.951 -1.474 -7.348 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.852 -0.480 -10.624 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.224 -0.026 -9.036 1.00 0.00 H new ATOM 1111 N GLY A 73 -6.989 -5.388 -7.758 1.00 0.00 N ATOM 1112 CA GLY A 73 -7.296 -6.731 -8.232 1.00 0.00 C ATOM 1113 C GLY A 73 -6.186 -7.430 -9.031 1.00 0.00 C ATOM 1114 O GLY A 73 -6.507 -8.373 -9.765 1.00 0.00 O ATOM 0 H GLY A 73 -7.083 -5.287 -6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.543 -7.352 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.189 -6.680 -8.855 1.00 0.00 H new ATOM 1118 N LYS A 74 -4.932 -6.954 -8.994 1.00 0.00 N ATOM 1119 CA LYS A 74 -3.905 -7.442 -9.913 1.00 0.00 C ATOM 1120 C LYS A 74 -3.427 -8.834 -9.548 1.00 0.00 C ATOM 1121 O LYS A 74 -3.560 -9.281 -8.413 1.00 0.00 O ATOM 1122 CB LYS A 74 -2.712 -6.473 -10.031 1.00 0.00 C ATOM 1123 CG LYS A 74 -2.955 -5.437 -11.141 1.00 0.00 C ATOM 1124 CD LYS A 74 -1.686 -5.151 -11.949 1.00 0.00 C ATOM 1125 CE LYS A 74 -2.019 -4.180 -13.081 1.00 0.00 C ATOM 1126 NZ LYS A 74 -0.958 -4.146 -14.103 1.00 0.00 N ATOM 0 H LYS A 74 -4.611 -6.238 -8.342 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.382 -7.497 -10.891 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.557 -5.963 -9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.802 -7.034 -10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.736 -5.799 -11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.319 -4.510 -10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.918 -4.726 -11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.283 -6.078 -12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.961 -4.472 -13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.162 -3.180 -12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.221 -3.476 -14.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.064 -3.843 -13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.839 -5.095 -14.512 1.00 0.00 H new ATOM 1140 N SER A 75 -2.835 -9.510 -10.517 1.00 0.00 N ATOM 1141 CA SER A 75 -2.194 -10.793 -10.297 1.00 0.00 C ATOM 1142 C SER A 75 -0.784 -10.605 -9.751 1.00 0.00 C ATOM 1143 O SER A 75 -0.182 -9.542 -9.920 1.00 0.00 O ATOM 1144 CB SER A 75 -2.233 -11.554 -11.611 1.00 0.00 C ATOM 1145 OG SER A 75 -1.539 -10.891 -12.651 1.00 0.00 O ATOM 0 H SER A 75 -2.786 -9.183 -11.482 1.00 0.00 H new ATOM 0 HA SER A 75 -2.720 -11.375 -9.541 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.800 -12.544 -11.465 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.271 -11.701 -11.909 1.00 0.00 H new ATOM 0 HG SER A 75 -1.594 -11.423 -13.472 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.259 -11.643 -9.100 1.00 0.00 N ATOM 1152 CA LEU A 76 1.075 -11.648 -8.522 1.00 0.00 C ATOM 1153 C LEU A 76 1.465 -13.102 -8.274 1.00 0.00 C ATOM 1154 O LEU A 76 1.019 -13.668 -7.280 1.00 0.00 O ATOM 1155 CB LEU A 76 1.072 -10.835 -7.211 1.00 0.00 C ATOM 1156 CG LEU A 76 2.477 -10.649 -6.607 1.00 0.00 C ATOM 1157 CD1 LEU A 76 3.224 -9.525 -7.331 1.00 0.00 C ATOM 1158 CD2 LEU A 76 2.373 -10.283 -5.122 1.00 0.00 C ATOM 0 H LEU A 76 -0.763 -12.519 -8.960 1.00 0.00 H new ATOM 0 HA LEU A 76 1.800 -11.187 -9.193 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.633 -9.856 -7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.434 -11.335 -6.483 1.00 0.00 H new ATOM 0 HG LEU A 76 3.019 -11.588 -6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.215 -9.406 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.322 -9.775 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.667 -8.593 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.373 -10.155 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.814 -9.354 -5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.858 -11.080 -4.586 1.00 0.00 H new ATOM 1170 N ASP A 77 2.240 -13.697 -9.183 1.00 0.00 N ATOM 1171 CA ASP A 77 2.851 -15.026 -9.079 1.00 0.00 C ATOM 1172 C ASP A 77 1.836 -16.091 -8.657 1.00 0.00 C ATOM 1173 O ASP A 77 2.045 -16.871 -7.724 1.00 0.00 O ATOM 1174 CB ASP A 77 4.146 -14.995 -8.239 1.00 0.00 C ATOM 1175 CG ASP A 77 5.331 -14.453 -9.043 1.00 0.00 C ATOM 1176 OD1 ASP A 77 5.735 -15.104 -10.034 1.00 0.00 O ATOM 1177 OD2 ASP A 77 5.848 -13.349 -8.750 1.00 0.00 O ATOM 0 H ASP A 77 2.472 -13.238 -10.064 1.00 0.00 H new ATOM 0 HA ASP A 77 3.171 -15.333 -10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.992 -14.375 -7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.375 -16.001 -7.887 1.00 0.00 H new ATOM 1182 N GLY A 78 0.714 -16.140 -9.380 1.00 0.00 N ATOM 1183 CA GLY A 78 -0.270 -17.207 -9.284 1.00 0.00 C ATOM 1184 C GLY A 78 -1.466 -16.860 -8.397 1.00 0.00 C ATOM 1185 O GLY A 78 -2.271 -17.742 -8.092 1.00 0.00 O ATOM 0 H GLY A 78 0.465 -15.422 -10.060 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.629 -17.450 -10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.214 -18.102 -8.893 1.00 0.00 H new ATOM 1189 N LYS A 79 -1.575 -15.605 -7.950 1.00 0.00 N ATOM 1190 CA LYS A 79 -2.463 -15.124 -6.895 1.00 0.00 C ATOM 1191 C LYS A 79 -3.256 -13.917 -7.409 1.00 0.00 C ATOM 1192 O LYS A 79 -3.171 -13.578 -8.597 1.00 0.00 O ATOM 1193 CB LYS A 79 -1.609 -14.750 -5.666 1.00 0.00 C ATOM 1194 CG LYS A 79 -0.493 -15.734 -5.256 1.00 0.00 C ATOM 1195 CD LYS A 79 -1.027 -17.107 -4.864 1.00 0.00 C ATOM 1196 CE LYS A 79 0.136 -18.098 -4.775 1.00 0.00 C ATOM 1197 NZ LYS A 79 0.811 -18.157 -3.467 1.00 0.00 N ATOM 0 H LYS A 79 -1.008 -14.853 -8.342 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.175 -15.898 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.150 -13.780 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.278 -14.625 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.208 -15.845 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.065 -15.314 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.544 -17.049 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.756 -17.449 -5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.236 -19.093 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.873 -17.838 -5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.440 -18.985 -3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.371 -17.292 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.100 -18.236 -2.712 1.00 0.00 H new ATOM 1211 N ALA A 80 -4.006 -13.241 -6.537 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.772 -12.039 -6.843 1.00 0.00 C ATOM 1213 C ALA A 80 -4.675 -11.075 -5.657 1.00 0.00 C ATOM 1214 O ALA A 80 -5.295 -11.293 -4.615 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.230 -12.413 -7.123 1.00 0.00 C ATOM 0 H ALA A 80 -4.098 -13.529 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.369 -11.552 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.799 -11.512 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.274 -13.095 -7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.656 -12.899 -6.245 1.00 0.00 H new ATOM 1221 N ILE A 81 -3.895 -10.006 -5.791 1.00 0.00 N ATOM 1222 CA ILE A 81 -3.765 -8.969 -4.774 1.00 0.00 C ATOM 1223 C ILE A 81 -5.052 -8.131 -4.727 1.00 0.00 C ATOM 1224 O ILE A 81 -5.824 -8.100 -5.691 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.482 -8.117 -4.985 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -2.625 -6.942 -5.979 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.301 -9.018 -5.409 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -1.400 -6.018 -5.987 1.00 0.00 C ATOM 0 H ILE A 81 -3.328 -9.834 -6.621 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.641 -9.435 -3.796 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.292 -7.657 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.782 -7.338 -6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.511 -6.361 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.410 -8.407 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.111 -9.759 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.547 -9.526 -6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.557 -5.212 -6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.256 -5.597 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.516 -6.589 -6.271 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.272 -7.392 -3.642 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.331 -6.390 -3.510 1.00 0.00 C ATOM 1242 C LYS A 82 -5.697 -5.101 -3.009 1.00 0.00 C ATOM 1243 O LYS A 82 -4.672 -5.159 -2.331 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.418 -6.902 -2.547 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.783 -6.975 -3.241 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.776 -7.828 -2.446 1.00 0.00 C ATOM 1247 CE LYS A 82 -11.164 -7.887 -3.100 1.00 0.00 C ATOM 1248 NZ LYS A 82 -11.867 -6.587 -3.062 1.00 0.00 N ATOM 0 H LYS A 82 -4.700 -7.476 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.813 -6.202 -4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.143 -7.889 -2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.482 -6.242 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.184 -5.969 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.662 -7.393 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.382 -8.840 -2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.871 -7.423 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.060 -8.209 -4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.769 -8.638 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.818 -6.694 -3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.948 -6.265 -2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.331 -5.886 -3.613 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.276 -3.958 -3.377 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.717 -2.641 -3.123 1.00 0.00 C ATOM 1264 C VAL A 83 -6.886 -1.749 -2.715 1.00 0.00 C ATOM 1265 O VAL A 83 -7.786 -1.507 -3.520 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.938 -2.126 -4.355 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.473 -0.688 -4.125 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.704 -3.000 -4.636 1.00 0.00 C ATOM 0 H VAL A 83 -7.168 -3.927 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.980 -2.654 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.612 -2.170 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.926 -0.338 -5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.339 -0.048 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.822 -0.651 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.176 -2.614 -5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.040 -2.981 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.020 -4.025 -4.828 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.893 -1.289 -1.468 1.00 0.00 N ATOM 1279 CA GLU A 84 -7.998 -0.579 -0.844 1.00 0.00 C ATOM 1280 C GLU A 84 -7.487 0.655 -0.104 1.00 0.00 C ATOM 1281 O GLU A 84 -6.287 0.845 0.108 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.810 -1.525 0.073 1.00 0.00 C ATOM 1283 CG GLU A 84 -7.996 -2.597 0.819 1.00 0.00 C ATOM 1284 CD GLU A 84 -8.778 -3.260 1.961 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -9.280 -2.551 2.865 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -8.929 -4.505 1.964 1.00 0.00 O ATOM 0 H GLU A 84 -6.096 -1.407 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.680 -0.230 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.340 -0.920 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.566 -2.026 -0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.680 -3.363 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.091 -2.142 1.222 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.416 1.536 0.269 1.00 0.00 N ATOM 1294 CA GLN A 85 -8.114 2.788 0.926 1.00 0.00 C ATOM 1295 C GLN A 85 -8.335 2.555 2.410 1.00 0.00 C ATOM 1296 O GLN A 85 -9.484 2.454 2.844 1.00 0.00 O ATOM 1297 CB GLN A 85 -8.966 3.954 0.379 1.00 0.00 C ATOM 1298 CG GLN A 85 -9.151 3.934 -1.153 1.00 0.00 C ATOM 1299 CD GLN A 85 -10.496 3.386 -1.644 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -11.236 2.631 -0.852 1.00 0.00 O flip ATOM 1301 NE2 GLN A 85 -10.880 3.617 -2.787 1.00 0.00 N flip ATOM 0 H GLN A 85 -9.414 1.388 0.116 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.084 3.088 0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.947 3.927 0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.500 4.897 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.032 4.950 -1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.352 3.336 -1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.316 4.199 -3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.763 3.227 -3.117 1.00 0.00 H new ATOM 1310 N ALA A 86 -7.252 2.452 3.186 1.00 0.00 N ATOM 1311 CA ALA A 86 -7.344 2.545 4.635 1.00 0.00 C ATOM 1312 C ALA A 86 -7.854 3.943 4.975 1.00 0.00 C ATOM 1313 O ALA A 86 -7.070 4.890 5.057 1.00 0.00 O ATOM 1314 CB ALA A 86 -5.993 2.272 5.302 1.00 0.00 C ATOM 0 H ALA A 86 -6.307 2.305 2.831 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.031 1.788 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.099 2.350 6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.655 1.269 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.262 3.003 4.956 1.00 0.00 H new ATOM 1320 N THR A 87 -9.163 4.084 5.093 1.00 0.00 N ATOM 1321 CA THR A 87 -9.844 5.254 5.615 1.00 0.00 C ATOM 1322 C THR A 87 -11.182 4.775 6.194 1.00 0.00 C ATOM 1323 O THR A 87 -11.381 3.573 6.402 1.00 0.00 O ATOM 1324 CB THR A 87 -9.945 6.332 4.513 1.00 0.00 C ATOM 1325 OG1 THR A 87 -10.233 7.580 5.110 1.00 0.00 O ATOM 1326 CG2 THR A 87 -10.951 6.015 3.400 1.00 0.00 C ATOM 0 H THR A 87 -9.811 3.348 4.813 1.00 0.00 H new ATOM 0 HA THR A 87 -9.300 5.743 6.423 1.00 0.00 H new ATOM 0 HB THR A 87 -8.977 6.358 4.013 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.296 8.268 4.415 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.955 6.826 2.671 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.667 5.085 2.907 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.947 5.908 3.829 1.00 0.00 H new