USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 812 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 16 ASN : amide:sc= 0.3 K(o=0.3,f=-2.2!) USER MOD Single : A 17 MET CE :methyl 174:sc= -0.607 (180deg=-0.684) USER MOD Single : A 26 CYS SG : rot 61:sc= 0.641 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -10:sc= -0.155! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -120:sc= 0.502 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.42) USER MOD Single : A 50 MET CE :methyl -165:sc= -1.29 (180deg=-1.39) USER MOD Single : A 60 SER OG : rot 180:sc= -1.08 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -125:sc= 0.248 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 107 LYS NZ :NH3+ -150:sc= -0.0443 (180deg=-0.938) USER MOD Single : A 110 THR OG1 : rot 71:sc= -0.495 USER MOD Single : A 123 LYS NZ :NH3+ 152:sc= -0.451 (180deg=-1.7!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.434 0.512 13.920 1.00 0.00 N ATOM 161 CA LEU A 13 3.788 -0.465 12.905 1.00 0.00 C ATOM 162 C LEU A 13 5.306 -0.471 12.714 1.00 0.00 C ATOM 163 O LEU A 13 5.966 -1.470 12.994 1.00 0.00 O ATOM 164 CB LEU A 13 3.007 -0.204 11.615 1.00 0.00 C ATOM 165 CG LEU A 13 1.491 -0.392 11.698 1.00 0.00 C ATOM 166 CD1 LEU A 13 0.761 0.666 10.870 1.00 0.00 C ATOM 167 CD2 LEU A 13 1.092 -1.813 11.294 1.00 0.00 C ATOM 0 HA LEU A 13 3.504 -1.467 13.226 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.209 0.817 11.292 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.393 -0.866 10.840 1.00 0.00 H new ATOM 0 HG LEU A 13 1.186 -0.255 12.735 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.315 0.509 10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.011 1.658 11.246 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.066 0.586 9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.009 -1.920 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.412 -2.003 10.270 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.570 -2.529 11.963 1.00 0.00 H new ATOM 179 N PHE A 14 5.815 0.657 12.240 1.00 0.00 N ATOM 180 CA PHE A 14 7.243 0.795 12.010 1.00 0.00 C ATOM 181 C PHE A 14 7.991 1.028 13.324 1.00 0.00 C ATOM 182 O PHE A 14 8.666 2.043 13.487 1.00 0.00 O ATOM 183 CB PHE A 14 7.434 2.014 11.105 1.00 0.00 C ATOM 184 CG PHE A 14 6.411 2.114 9.971 1.00 0.00 C ATOM 185 CD1 PHE A 14 6.639 1.476 8.792 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.275 2.841 10.143 1.00 0.00 C ATOM 187 CE1 PHE A 14 5.690 1.569 7.740 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.326 2.934 9.091 1.00 0.00 C ATOM 189 CZ PHE A 14 4.553 2.296 7.911 1.00 0.00 C ATOM 0 H PHE A 14 5.264 1.484 12.009 1.00 0.00 H new ATOM 0 HA PHE A 14 7.636 -0.115 11.556 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.377 2.917 11.713 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.435 1.981 10.675 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.542 0.899 8.656 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.095 3.348 11.080 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.871 1.062 6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.424 3.511 9.228 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.831 2.367 7.111 1.00 0.00 H new ATOM 199 N GLU A 15 7.845 0.070 14.228 1.00 0.00 N ATOM 200 CA GLU A 15 8.499 0.158 15.523 1.00 0.00 C ATOM 201 C GLU A 15 9.978 -0.210 15.397 1.00 0.00 C ATOM 202 O GLU A 15 10.848 0.542 15.834 1.00 0.00 O ATOM 203 CB GLU A 15 7.798 -0.731 16.552 1.00 0.00 C ATOM 204 CG GLU A 15 6.851 0.088 17.431 1.00 0.00 C ATOM 205 CD GLU A 15 7.397 0.215 18.855 1.00 0.00 C ATOM 206 OE1 GLU A 15 8.230 1.123 19.065 1.00 0.00 O ATOM 207 OE2 GLU A 15 6.969 -0.600 19.701 1.00 0.00 O ATOM 0 H GLU A 15 7.284 -0.770 14.089 1.00 0.00 H new ATOM 0 HA GLU A 15 8.430 1.188 15.874 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.239 -1.514 16.040 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.542 -1.227 17.176 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.715 1.080 17.000 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.870 -0.386 17.455 1.00 0.00 H new ATOM 214 N ASN A 16 10.219 -1.367 14.798 1.00 0.00 N ATOM 215 CA ASN A 16 11.578 -1.844 14.609 1.00 0.00 C ATOM 216 C ASN A 16 12.007 -1.588 13.162 1.00 0.00 C ATOM 217 O ASN A 16 13.192 -1.663 12.840 1.00 0.00 O ATOM 218 CB ASN A 16 11.676 -3.348 14.872 1.00 0.00 C ATOM 219 CG ASN A 16 10.688 -4.123 13.998 1.00 0.00 C ATOM 220 OD1 ASN A 16 9.481 -4.027 14.145 1.00 0.00 O ATOM 221 ND2 ASN A 16 11.267 -4.895 13.083 1.00 0.00 N ATOM 0 H ASN A 16 9.495 -1.988 14.437 1.00 0.00 H new ATOM 0 HA ASN A 16 12.222 -1.313 15.310 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.691 -3.691 14.671 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.473 -3.551 15.924 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.694 -5.453 12.450 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.284 -4.929 13.014 1.00 0.00 H new ATOM 228 N MET A 17 11.020 -1.292 12.330 1.00 0.00 N ATOM 229 CA MET A 17 11.281 -1.025 10.925 1.00 0.00 C ATOM 230 C MET A 17 12.158 0.217 10.757 1.00 0.00 C ATOM 231 O MET A 17 11.729 1.330 11.059 1.00 0.00 O ATOM 232 CB MET A 17 9.955 -0.818 10.190 1.00 0.00 C ATOM 233 CG MET A 17 9.128 -2.105 10.177 1.00 0.00 C ATOM 234 SD MET A 17 7.492 -1.773 9.547 1.00 0.00 S ATOM 235 CE MET A 17 7.872 -1.500 7.824 1.00 0.00 C ATOM 0 H MET A 17 10.039 -1.231 12.601 1.00 0.00 H new ATOM 0 HA MET A 17 11.810 -1.880 10.504 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.388 -0.022 10.673 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.149 -0.496 9.167 1.00 0.00 H new ATOM 0 HG2 MET A 17 9.619 -2.856 9.559 1.00 0.00 H new ATOM 0 HG3 MET A 17 9.062 -2.515 11.185 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.946 -1.384 7.261 1.00 0.00 H new ATOM 0 HE2 MET A 17 8.474 -0.597 7.723 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.428 -2.353 7.435 1.00 0.00 H new ATOM 245 N ASP A 18 13.370 -0.015 10.275 1.00 0.00 N ATOM 246 CA ASP A 18 14.312 1.072 10.063 1.00 0.00 C ATOM 247 C ASP A 18 13.881 1.881 8.838 1.00 0.00 C ATOM 248 O ASP A 18 13.207 1.361 7.951 1.00 0.00 O ATOM 249 CB ASP A 18 15.721 0.536 9.804 1.00 0.00 C ATOM 250 CG ASP A 18 16.542 0.242 11.062 1.00 0.00 C ATOM 251 OD1 ASP A 18 16.967 1.226 11.705 1.00 0.00 O ATOM 252 OD2 ASP A 18 16.726 -0.960 11.351 1.00 0.00 O ATOM 0 H ASP A 18 13.722 -0.939 10.025 1.00 0.00 H new ATOM 0 HA ASP A 18 14.321 1.691 10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.643 -0.379 9.217 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.263 1.260 9.196 1.00 0.00 H new ATOM 257 N GLU A 19 14.289 3.142 8.829 1.00 0.00 N ATOM 258 CA GLU A 19 13.955 4.029 7.728 1.00 0.00 C ATOM 259 C GLU A 19 14.233 3.342 6.389 1.00 0.00 C ATOM 260 O GLU A 19 13.384 3.341 5.499 1.00 0.00 O ATOM 261 CB GLU A 19 14.719 5.350 7.836 1.00 0.00 C ATOM 262 CG GLU A 19 14.099 6.257 8.901 1.00 0.00 C ATOM 263 CD GLU A 19 15.151 6.705 9.918 1.00 0.00 C ATOM 264 OE1 GLU A 19 16.306 6.912 9.487 1.00 0.00 O ATOM 265 OE2 GLU A 19 14.775 6.832 11.103 1.00 0.00 O ATOM 0 H GLU A 19 14.848 3.570 9.567 1.00 0.00 H new ATOM 0 HA GLU A 19 12.891 4.258 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.762 5.152 8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.712 5.858 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.653 7.130 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.296 5.727 9.413 1.00 0.00 H new ATOM 272 N ARG A 20 15.426 2.773 6.289 1.00 0.00 N ATOM 273 CA ARG A 20 15.827 2.084 5.074 1.00 0.00 C ATOM 274 C ARG A 20 14.690 1.193 4.570 1.00 0.00 C ATOM 275 O ARG A 20 14.486 1.064 3.364 1.00 0.00 O ATOM 276 CB ARG A 20 17.071 1.227 5.313 1.00 0.00 C ATOM 277 CG ARG A 20 18.268 2.094 5.708 1.00 0.00 C ATOM 278 CD ARG A 20 19.051 2.544 4.473 1.00 0.00 C ATOM 279 NE ARG A 20 20.367 1.868 4.435 1.00 0.00 N ATOM 280 CZ ARG A 20 21.342 2.171 3.567 1.00 0.00 C ATOM 281 NH1 ARG A 20 21.155 3.141 2.661 1.00 0.00 N ATOM 282 NH2 ARG A 20 22.504 1.505 3.606 1.00 0.00 N ATOM 0 H ARG A 20 16.127 2.775 7.029 1.00 0.00 H new ATOM 0 HA ARG A 20 16.060 2.840 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.870 0.499 6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.308 0.664 4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 20 17.922 2.967 6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.924 1.533 6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.487 2.311 3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.189 3.625 4.493 1.00 0.00 H new ATOM 0 HE ARG A 20 20.543 1.125 5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.271 3.648 2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.897 3.372 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.646 0.768 4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.246 1.735 2.945 1.00 0.00 H new ATOM 296 N LEU A 21 13.980 0.600 5.519 1.00 0.00 N ATOM 297 CA LEU A 21 12.869 -0.275 5.186 1.00 0.00 C ATOM 298 C LEU A 21 11.671 0.571 4.750 1.00 0.00 C ATOM 299 O LEU A 21 10.935 0.189 3.841 1.00 0.00 O ATOM 300 CB LEU A 21 12.564 -1.220 6.350 1.00 0.00 C ATOM 301 CG LEU A 21 11.830 -2.513 5.990 1.00 0.00 C ATOM 302 CD1 LEU A 21 12.456 -3.175 4.760 1.00 0.00 C ATOM 303 CD2 LEU A 21 11.775 -3.464 7.187 1.00 0.00 C ATOM 0 H LEU A 21 14.153 0.708 6.518 1.00 0.00 H new ATOM 0 HA LEU A 21 13.129 -0.917 4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.504 -1.482 6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.967 -0.679 7.084 1.00 0.00 H new ATOM 0 HG LEU A 21 10.801 -2.261 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.915 -4.092 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.399 -2.493 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.500 -3.412 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.248 -4.375 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.789 -3.714 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.249 -2.982 8.011 1.00 0.00 H new ATOM 315 N LEU A 22 11.513 1.703 5.419 1.00 0.00 N ATOM 316 CA LEU A 22 10.417 2.606 5.112 1.00 0.00 C ATOM 317 C LEU A 22 10.588 3.145 3.690 1.00 0.00 C ATOM 318 O LEU A 22 9.690 3.010 2.860 1.00 0.00 O ATOM 319 CB LEU A 22 10.311 3.701 6.176 1.00 0.00 C ATOM 320 CG LEU A 22 9.496 3.350 7.422 1.00 0.00 C ATOM 321 CD1 LEU A 22 8.013 3.192 7.079 1.00 0.00 C ATOM 322 CD2 LEU A 22 10.059 2.108 8.114 1.00 0.00 C ATOM 0 H LEU A 22 12.125 2.016 6.172 1.00 0.00 H new ATOM 0 HA LEU A 22 9.466 2.074 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.319 3.973 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.871 4.586 5.716 1.00 0.00 H new ATOM 0 HG LEU A 22 9.578 4.176 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.455 2.943 7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.634 4.126 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.892 2.395 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.461 1.881 8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.027 1.263 7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.091 2.294 8.413 1.00 0.00 H new ATOM 334 N ASP A 23 11.746 3.742 3.453 1.00 0.00 N ATOM 335 CA ASP A 23 12.046 4.301 2.146 1.00 0.00 C ATOM 336 C ASP A 23 11.860 3.221 1.079 1.00 0.00 C ATOM 337 O ASP A 23 11.234 3.462 0.049 1.00 0.00 O ATOM 338 CB ASP A 23 13.494 4.791 2.076 1.00 0.00 C ATOM 339 CG ASP A 23 13.777 5.817 0.977 1.00 0.00 C ATOM 340 OD1 ASP A 23 13.384 6.987 1.178 1.00 0.00 O ATOM 341 OD2 ASP A 23 14.379 5.409 -0.039 1.00 0.00 O ATOM 0 H ASP A 23 12.488 3.851 4.144 1.00 0.00 H new ATOM 0 HA ASP A 23 11.372 5.141 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.761 5.229 3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.146 3.931 1.926 1.00 0.00 H new ATOM 346 N ALA A 24 12.415 2.052 1.363 1.00 0.00 N ATOM 347 CA ALA A 24 12.318 0.933 0.441 1.00 0.00 C ATOM 348 C ALA A 24 10.844 0.600 0.203 1.00 0.00 C ATOM 349 O ALA A 24 10.457 0.237 -0.906 1.00 0.00 O ATOM 350 CB ALA A 24 13.103 -0.257 0.997 1.00 0.00 C ATOM 0 H ALA A 24 12.934 1.855 2.219 1.00 0.00 H new ATOM 0 HA ALA A 24 12.757 1.191 -0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.030 -1.096 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.149 0.023 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.689 -0.546 1.963 1.00 0.00 H new ATOM 356 N ILE A 25 10.062 0.735 1.264 1.00 0.00 N ATOM 357 CA ILE A 25 8.638 0.453 1.185 1.00 0.00 C ATOM 358 C ILE A 25 7.928 1.624 0.501 1.00 0.00 C ATOM 359 O ILE A 25 6.899 1.437 -0.147 1.00 0.00 O ATOM 360 CB ILE A 25 8.080 0.120 2.569 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.570 -1.251 3.042 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.554 0.220 2.584 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.498 -1.363 4.566 1.00 0.00 C ATOM 0 H ILE A 25 10.387 1.036 2.183 1.00 0.00 H new ATOM 0 HA ILE A 25 8.458 -0.431 0.573 1.00 0.00 H new ATOM 0 HB ILE A 25 8.457 0.859 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.964 -2.035 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.596 -1.409 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.183 -0.022 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.253 1.234 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.136 -0.481 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.852 -2.346 4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.124 -0.593 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.467 -1.229 4.892 1.00 0.00 H new ATOM 375 N CYS A 26 8.506 2.804 0.669 1.00 0.00 N ATOM 376 CA CYS A 26 7.941 4.005 0.077 1.00 0.00 C ATOM 377 C CYS A 26 8.112 3.917 -1.441 1.00 0.00 C ATOM 378 O CYS A 26 7.137 4.015 -2.186 1.00 0.00 O ATOM 379 CB CYS A 26 8.577 5.272 0.650 1.00 0.00 C ATOM 380 SG CYS A 26 8.068 5.493 2.394 1.00 0.00 S ATOM 0 H CYS A 26 9.360 2.954 1.207 1.00 0.00 H new ATOM 0 HA CYS A 26 6.880 4.069 0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 26 9.663 5.205 0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.275 6.139 0.062 1.00 0.00 H new ATOM 0 HG CYS A 26 8.469 4.474 3.095 1.00 0.00 H new ATOM 386 N GLU A 27 9.357 3.734 -1.855 1.00 0.00 N ATOM 387 CA GLU A 27 9.668 3.633 -3.271 1.00 0.00 C ATOM 388 C GLU A 27 8.754 2.607 -3.943 1.00 0.00 C ATOM 389 O GLU A 27 8.464 2.714 -5.133 1.00 0.00 O ATOM 390 CB GLU A 27 11.141 3.277 -3.484 1.00 0.00 C ATOM 391 CG GLU A 27 11.415 1.822 -3.101 1.00 0.00 C ATOM 392 CD GLU A 27 12.645 1.284 -3.835 1.00 0.00 C ATOM 393 OE1 GLU A 27 13.762 1.555 -3.345 1.00 0.00 O ATOM 394 OE2 GLU A 27 12.440 0.614 -4.870 1.00 0.00 O ATOM 0 H GLU A 27 10.163 3.653 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 27 9.492 4.605 -3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.411 3.439 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.769 3.938 -2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.569 1.748 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.546 1.209 -3.342 1.00 0.00 H new ATOM 401 N ARG A 28 8.324 1.635 -3.150 1.00 0.00 N ATOM 402 CA ARG A 28 7.449 0.591 -3.654 1.00 0.00 C ATOM 403 C ARG A 28 6.066 1.164 -3.970 1.00 0.00 C ATOM 404 O ARG A 28 5.419 0.742 -4.927 1.00 0.00 O ATOM 405 CB ARG A 28 7.303 -0.543 -2.637 1.00 0.00 C ATOM 406 CG ARG A 28 7.871 -1.852 -3.191 1.00 0.00 C ATOM 407 CD ARG A 28 9.119 -2.279 -2.416 1.00 0.00 C ATOM 408 NE ARG A 28 9.931 -3.207 -3.236 1.00 0.00 N ATOM 409 CZ ARG A 28 11.222 -3.481 -3.004 1.00 0.00 C ATOM 410 NH1 ARG A 28 11.856 -2.900 -1.977 1.00 0.00 N ATOM 411 NH2 ARG A 28 11.878 -4.336 -3.800 1.00 0.00 N ATOM 0 H ARG A 28 8.566 1.549 -2.163 1.00 0.00 H new ATOM 0 HA ARG A 28 7.898 0.193 -4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.821 -0.279 -1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.251 -0.677 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.115 -2.635 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.118 -1.728 -4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.710 -1.402 -2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.830 -2.763 -1.483 1.00 0.00 H new ATOM 0 HE ARG A 28 9.479 -3.666 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.356 -2.249 -1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.839 -3.109 -1.800 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.395 -4.778 -4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.861 -4.545 -3.624 1.00 0.00 H new ATOM 425 N LEU A 29 5.653 2.117 -3.146 1.00 0.00 N ATOM 426 CA LEU A 29 4.359 2.752 -3.326 1.00 0.00 C ATOM 427 C LEU A 29 4.108 2.977 -4.819 1.00 0.00 C ATOM 428 O LEU A 29 4.932 3.577 -5.506 1.00 0.00 O ATOM 429 CB LEU A 29 4.268 4.029 -2.488 1.00 0.00 C ATOM 430 CG LEU A 29 4.521 3.867 -0.988 1.00 0.00 C ATOM 431 CD1 LEU A 29 4.917 5.201 -0.351 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.313 3.236 -0.293 1.00 0.00 C ATOM 0 H LEU A 29 6.192 2.464 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 29 3.563 2.102 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.985 4.750 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.276 4.459 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 29 5.361 3.185 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.091 5.058 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.828 5.572 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.114 5.925 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.519 3.132 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.439 3.872 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.119 2.253 -0.722 1.00 0.00 H new ATOM 444 N LYS A 30 2.967 2.482 -5.275 1.00 0.00 N ATOM 445 CA LYS A 30 2.598 2.620 -6.674 1.00 0.00 C ATOM 446 C LYS A 30 1.496 3.674 -6.804 1.00 0.00 C ATOM 447 O LYS A 30 0.743 3.909 -5.860 1.00 0.00 O ATOM 448 CB LYS A 30 2.222 1.261 -7.266 1.00 0.00 C ATOM 449 CG LYS A 30 3.457 0.539 -7.809 1.00 0.00 C ATOM 450 CD LYS A 30 3.091 -0.361 -8.991 1.00 0.00 C ATOM 451 CE LYS A 30 4.346 -0.926 -9.659 1.00 0.00 C ATOM 452 NZ LYS A 30 4.224 -0.858 -11.133 1.00 0.00 N ATOM 0 H LYS A 30 2.286 1.985 -4.701 1.00 0.00 H new ATOM 0 HA LYS A 30 3.448 2.972 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.744 0.647 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.495 1.398 -8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.202 1.271 -8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.910 -0.059 -7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.458 -1.179 -8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.511 0.207 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.222 -0.365 -9.334 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.497 -1.960 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.084 -1.245 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.400 -1.413 -11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.102 0.132 -11.426 1.00 0.00 H new ATOM 466 N PRO A 31 1.434 4.295 -8.012 1.00 0.00 N ATOM 467 CA PRO A 31 0.437 5.318 -8.277 1.00 0.00 C ATOM 468 C PRO A 31 -0.945 4.695 -8.488 1.00 0.00 C ATOM 469 O PRO A 31 -1.198 4.073 -9.519 1.00 0.00 O ATOM 470 CB PRO A 31 0.948 6.058 -9.502 1.00 0.00 C ATOM 471 CG PRO A 31 1.966 5.135 -10.152 1.00 0.00 C ATOM 472 CD PRO A 31 2.309 4.042 -9.153 1.00 0.00 C ATOM 0 HA PRO A 31 0.306 6.004 -7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.133 6.286 -10.189 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.404 7.008 -9.223 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.560 4.703 -11.066 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.861 5.691 -10.432 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.135 3.052 -9.574 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.359 4.085 -8.864 1.00 0.00 H new ATOM 480 N CYS A 32 -1.802 4.883 -7.496 1.00 0.00 N ATOM 481 CA CYS A 32 -3.151 4.347 -7.560 1.00 0.00 C ATOM 482 C CYS A 32 -4.070 5.262 -6.748 1.00 0.00 C ATOM 483 O CYS A 32 -3.608 5.999 -5.879 1.00 0.00 O ATOM 484 CB CYS A 32 -3.208 2.899 -7.070 1.00 0.00 C ATOM 485 SG CYS A 32 -2.049 1.864 -8.036 1.00 0.00 S ATOM 0 H CYS A 32 -1.588 5.399 -6.643 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.487 4.323 -8.597 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.952 2.855 -6.011 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.222 2.513 -7.169 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.597 2.546 -9.046 1.00 0.00 H new ATOM 491 N LEU A 33 -5.355 5.184 -7.061 1.00 0.00 N ATOM 492 CA LEU A 33 -6.344 5.995 -6.371 1.00 0.00 C ATOM 493 C LEU A 33 -7.624 5.180 -6.181 1.00 0.00 C ATOM 494 O LEU A 33 -7.917 4.285 -6.972 1.00 0.00 O ATOM 495 CB LEU A 33 -6.561 7.318 -7.109 1.00 0.00 C ATOM 496 CG LEU A 33 -7.490 8.323 -6.426 1.00 0.00 C ATOM 497 CD1 LEU A 33 -6.770 9.648 -6.168 1.00 0.00 C ATOM 498 CD2 LEU A 33 -8.776 8.517 -7.232 1.00 0.00 C ATOM 0 H LEU A 33 -5.734 4.572 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.988 6.265 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.591 7.792 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.961 7.098 -8.099 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.776 7.918 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.453 10.345 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.909 9.474 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.435 10.070 -7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.419 9.236 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.530 8.889 -8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.297 7.564 -7.320 1.00 0.00 H new ATOM 510 N PHE A 34 -8.353 5.519 -5.128 1.00 0.00 N ATOM 511 CA PHE A 34 -9.595 4.829 -4.824 1.00 0.00 C ATOM 512 C PHE A 34 -10.805 5.670 -5.239 1.00 0.00 C ATOM 513 O PHE A 34 -11.048 6.735 -4.674 1.00 0.00 O ATOM 514 CB PHE A 34 -9.631 4.619 -3.309 1.00 0.00 C ATOM 515 CG PHE A 34 -8.374 3.956 -2.743 1.00 0.00 C ATOM 516 CD1 PHE A 34 -7.904 2.806 -3.297 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.726 4.516 -1.687 1.00 0.00 C ATOM 518 CE1 PHE A 34 -6.737 2.190 -2.772 1.00 0.00 C ATOM 519 CE2 PHE A 34 -6.559 3.901 -1.162 1.00 0.00 C ATOM 520 CZ PHE A 34 -6.089 2.751 -1.715 1.00 0.00 C ATOM 0 H PHE A 34 -8.107 6.263 -4.475 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.639 3.885 -5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.771 5.584 -2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.497 4.006 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.418 2.361 -4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.099 5.429 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.364 1.277 -3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.045 4.347 -0.323 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.202 2.283 -1.315 1.00 0.00 H new ATOM 530 N THR A 35 -11.531 5.159 -6.223 1.00 0.00 N ATOM 531 CA THR A 35 -12.708 5.850 -6.720 1.00 0.00 C ATOM 532 C THR A 35 -13.937 5.472 -5.891 1.00 0.00 C ATOM 533 O THR A 35 -13.812 4.860 -4.831 1.00 0.00 O ATOM 534 CB THR A 35 -12.856 5.523 -8.207 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.409 4.174 -8.312 1.00 0.00 O ATOM 536 CG2 THR A 35 -11.874 6.309 -9.079 1.00 0.00 C ATOM 0 H THR A 35 -11.327 4.275 -6.689 1.00 0.00 H new ATOM 0 HA THR A 35 -12.604 6.930 -6.618 1.00 0.00 H new ATOM 0 HB THR A 35 -13.876 5.736 -8.526 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.473 3.880 -9.245 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.021 6.040 -10.125 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.048 7.377 -8.951 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.853 6.070 -8.783 1.00 0.00 H new ATOM 544 N GLU A 36 -15.098 5.853 -6.404 1.00 0.00 N ATOM 545 CA GLU A 36 -16.349 5.563 -5.724 1.00 0.00 C ATOM 546 C GLU A 36 -16.672 4.070 -5.823 1.00 0.00 C ATOM 547 O GLU A 36 -16.395 3.438 -6.841 1.00 0.00 O ATOM 548 CB GLU A 36 -17.490 6.410 -6.290 1.00 0.00 C ATOM 549 CG GLU A 36 -18.112 5.742 -7.518 1.00 0.00 C ATOM 550 CD GLU A 36 -19.008 6.720 -8.279 1.00 0.00 C ATOM 551 OE1 GLU A 36 -20.203 6.793 -7.920 1.00 0.00 O ATOM 552 OE2 GLU A 36 -18.478 7.373 -9.204 1.00 0.00 O ATOM 0 H GLU A 36 -15.198 6.360 -7.283 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.237 5.822 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.253 6.556 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.116 7.398 -6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.324 5.378 -8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.695 4.875 -7.208 1.00 0.00 H new ATOM 559 N LYS A 37 -17.253 3.551 -4.751 1.00 0.00 N ATOM 560 CA LYS A 37 -17.617 2.145 -4.704 1.00 0.00 C ATOM 561 C LYS A 37 -16.351 1.292 -4.802 1.00 0.00 C ATOM 562 O LYS A 37 -16.343 0.262 -5.475 1.00 0.00 O ATOM 563 CB LYS A 37 -18.659 1.826 -5.778 1.00 0.00 C ATOM 564 CG LYS A 37 -19.924 2.663 -5.582 1.00 0.00 C ATOM 565 CD LYS A 37 -21.156 1.928 -6.113 1.00 0.00 C ATOM 566 CE LYS A 37 -21.191 1.951 -7.643 1.00 0.00 C ATOM 567 NZ LYS A 37 -22.570 1.734 -8.133 1.00 0.00 N ATOM 0 H LYS A 37 -17.481 4.079 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.090 1.905 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.240 2.020 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.911 0.766 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.057 2.885 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.816 3.618 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.148 0.896 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -22.059 2.393 -5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.816 2.907 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.532 1.178 -8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.576 1.753 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.915 0.811 -7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.190 2.486 -7.770 1.00 0.00 H new ATOM 581 N SER A 38 -15.312 1.751 -4.120 1.00 0.00 N ATOM 582 CA SER A 38 -14.044 1.043 -4.122 1.00 0.00 C ATOM 583 C SER A 38 -13.761 0.472 -2.731 1.00 0.00 C ATOM 584 O SER A 38 -13.738 1.209 -1.746 1.00 0.00 O ATOM 585 CB SER A 38 -12.901 1.960 -4.561 1.00 0.00 C ATOM 586 OG SER A 38 -12.557 2.906 -3.552 1.00 0.00 O ATOM 0 H SER A 38 -15.323 2.605 -3.562 1.00 0.00 H new ATOM 0 HA SER A 38 -14.112 0.224 -4.838 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.026 1.357 -4.806 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.189 2.488 -5.470 1.00 0.00 H new ATOM 0 HG SER A 38 -12.675 3.814 -3.901 1.00 0.00 H new ATOM 592 N TYR A 39 -13.555 -0.836 -2.693 1.00 0.00 N ATOM 593 CA TYR A 39 -13.275 -1.514 -1.439 1.00 0.00 C ATOM 594 C TYR A 39 -11.770 -1.714 -1.247 1.00 0.00 C ATOM 595 O TYR A 39 -11.139 -2.460 -1.994 1.00 0.00 O ATOM 596 CB TYR A 39 -13.950 -2.883 -1.540 1.00 0.00 C ATOM 597 CG TYR A 39 -15.185 -3.036 -0.649 1.00 0.00 C ATOM 598 CD1 TYR A 39 -16.126 -2.028 -0.596 1.00 0.00 C ATOM 599 CD2 TYR A 39 -15.357 -4.181 0.102 1.00 0.00 C ATOM 600 CE1 TYR A 39 -17.288 -2.171 0.243 1.00 0.00 C ATOM 601 CE2 TYR A 39 -16.518 -4.324 0.940 1.00 0.00 C ATOM 602 CZ TYR A 39 -17.426 -3.312 0.970 1.00 0.00 C ATOM 603 OH TYR A 39 -18.524 -3.448 1.762 1.00 0.00 O ATOM 0 H TYR A 39 -13.576 -1.445 -3.511 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.641 -0.928 -0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -14.238 -3.059 -2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.226 -3.654 -1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -15.991 -1.132 -1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.620 -4.970 0.061 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.032 -1.390 0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -16.665 -5.215 1.532 1.00 0.00 H new ATOM 0 HH TYR A 39 -18.491 -4.313 2.222 1.00 0.00 H new ATOM 613 N LEU A 40 -11.239 -1.034 -0.242 1.00 0.00 N ATOM 614 CA LEU A 40 -9.820 -1.127 0.057 1.00 0.00 C ATOM 615 C LEU A 40 -9.523 -2.493 0.680 1.00 0.00 C ATOM 616 O LEU A 40 -8.721 -3.260 0.151 1.00 0.00 O ATOM 617 CB LEU A 40 -9.376 0.053 0.923 1.00 0.00 C ATOM 618 CG LEU A 40 -9.185 1.385 0.195 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.525 1.941 -0.292 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.434 2.388 1.073 1.00 0.00 C ATOM 0 H LEU A 40 -11.766 -0.416 0.376 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.233 -1.059 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.113 0.196 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.436 -0.211 1.408 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.570 1.206 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.361 2.888 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.986 1.231 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.184 2.101 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.312 3.326 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.001 2.568 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.453 1.986 1.328 1.00 0.00 H new ATOM 632 N VAL A 41 -10.187 -2.755 1.797 1.00 0.00 N ATOM 633 CA VAL A 41 -10.004 -4.015 2.498 1.00 0.00 C ATOM 634 C VAL A 41 -11.373 -4.619 2.816 1.00 0.00 C ATOM 635 O VAL A 41 -12.377 -3.908 2.852 1.00 0.00 O ATOM 636 CB VAL A 41 -9.142 -3.800 3.743 1.00 0.00 C ATOM 637 CG1 VAL A 41 -7.743 -3.311 3.363 1.00 0.00 C ATOM 638 CG2 VAL A 41 -9.815 -2.832 4.717 1.00 0.00 C ATOM 0 H VAL A 41 -10.852 -2.117 2.233 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.471 -4.729 1.869 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.036 -4.761 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.150 -3.166 4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.259 -4.052 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.821 -2.366 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.180 -2.697 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.967 -1.870 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.778 -3.238 5.026 1.00 0.00 H new ATOM 648 N ARG A 42 -11.371 -5.925 3.039 1.00 0.00 N ATOM 649 CA ARG A 42 -12.600 -6.633 3.352 1.00 0.00 C ATOM 650 C ARG A 42 -12.391 -7.551 4.559 1.00 0.00 C ATOM 651 O ARG A 42 -11.281 -8.024 4.798 1.00 0.00 O ATOM 652 CB ARG A 42 -13.074 -7.468 2.161 1.00 0.00 C ATOM 653 CG ARG A 42 -14.481 -7.053 1.726 1.00 0.00 C ATOM 654 CD ARG A 42 -15.516 -8.099 2.145 1.00 0.00 C ATOM 655 NE ARG A 42 -16.040 -8.800 0.952 1.00 0.00 N ATOM 656 CZ ARG A 42 -16.821 -9.887 1.002 1.00 0.00 C ATOM 657 NH1 ARG A 42 -17.175 -10.404 2.186 1.00 0.00 N ATOM 658 NH2 ARG A 42 -17.250 -10.457 -0.133 1.00 0.00 N ATOM 0 H ARG A 42 -10.537 -6.511 3.009 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.361 -5.888 3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.381 -7.346 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.069 -8.525 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.733 -6.089 2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.507 -6.923 0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.063 -8.817 2.829 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.333 -7.619 2.683 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.791 -8.432 0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.850 -9.970 3.050 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.770 -11.232 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.982 -10.063 -1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.845 -11.285 -0.095 1.00 0.00 H new ATOM 672 N GLU A 43 -13.475 -7.775 5.287 1.00 0.00 N ATOM 673 CA GLU A 43 -13.424 -8.627 6.462 1.00 0.00 C ATOM 674 C GLU A 43 -13.770 -10.070 6.087 1.00 0.00 C ATOM 675 O GLU A 43 -14.933 -10.390 5.845 1.00 0.00 O ATOM 676 CB GLU A 43 -14.356 -8.107 7.558 1.00 0.00 C ATOM 677 CG GLU A 43 -13.707 -8.236 8.938 1.00 0.00 C ATOM 678 CD GLU A 43 -14.714 -7.928 10.048 1.00 0.00 C ATOM 679 OE1 GLU A 43 -15.764 -8.606 10.066 1.00 0.00 O ATOM 680 OE2 GLU A 43 -14.410 -7.022 10.854 1.00 0.00 O ATOM 0 H GLU A 43 -14.394 -7.381 5.085 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.408 -8.608 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.603 -7.063 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.292 -8.665 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.316 -9.245 9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.860 -7.554 9.011 1.00 0.00 H new ATOM 687 N GLY A 44 -12.740 -10.902 6.052 1.00 0.00 N ATOM 688 CA GLY A 44 -12.921 -12.302 5.710 1.00 0.00 C ATOM 689 C GLY A 44 -12.094 -12.678 4.479 1.00 0.00 C ATOM 690 O GLY A 44 -11.694 -13.831 4.323 1.00 0.00 O ATOM 0 H GLY A 44 -11.777 -10.633 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.628 -12.927 6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.976 -12.500 5.518 1.00 0.00 H new ATOM 694 N ASP A 45 -11.862 -11.683 3.635 1.00 0.00 N ATOM 695 CA ASP A 45 -11.091 -11.894 2.422 1.00 0.00 C ATOM 696 C ASP A 45 -9.612 -11.629 2.711 1.00 0.00 C ATOM 697 O ASP A 45 -9.278 -10.933 3.669 1.00 0.00 O ATOM 698 CB ASP A 45 -11.534 -10.937 1.314 1.00 0.00 C ATOM 699 CG ASP A 45 -11.085 -9.486 1.494 1.00 0.00 C ATOM 700 OD1 ASP A 45 -10.936 -9.080 2.667 1.00 0.00 O ATOM 701 OD2 ASP A 45 -10.902 -8.815 0.455 1.00 0.00 O ATOM 0 H ASP A 45 -12.195 -10.728 3.768 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.250 -12.922 2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.150 -11.305 0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.622 -10.959 1.249 1.00 0.00 H new ATOM 706 N PRO A 46 -8.743 -12.214 1.844 1.00 0.00 N ATOM 707 CA PRO A 46 -7.308 -12.048 1.996 1.00 0.00 C ATOM 708 C PRO A 46 -6.866 -10.652 1.552 1.00 0.00 C ATOM 709 O PRO A 46 -7.639 -9.921 0.935 1.00 0.00 O ATOM 710 CB PRO A 46 -6.692 -13.160 1.162 1.00 0.00 C ATOM 711 CG PRO A 46 -7.783 -13.616 0.206 1.00 0.00 C ATOM 712 CD PRO A 46 -9.103 -13.045 0.699 1.00 0.00 C ATOM 0 HA PRO A 46 -6.985 -12.121 3.034 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.819 -12.801 0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.357 -13.983 1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.572 -13.271 -0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.828 -14.704 0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.595 -12.458 -0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.794 -13.837 0.986 1.00 0.00 H new ATOM 720 N VAL A 47 -5.626 -10.325 1.883 1.00 0.00 N ATOM 721 CA VAL A 47 -5.072 -9.030 1.525 1.00 0.00 C ATOM 722 C VAL A 47 -3.947 -9.225 0.507 1.00 0.00 C ATOM 723 O VAL A 47 -2.922 -9.830 0.819 1.00 0.00 O ATOM 724 CB VAL A 47 -4.619 -8.289 2.785 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.227 -6.846 2.460 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.699 -8.334 3.866 1.00 0.00 C ATOM 0 H VAL A 47 -4.989 -10.934 2.396 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.831 -8.406 1.053 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.736 -8.797 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.909 -6.341 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.408 -6.845 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.084 -6.323 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.351 -7.800 4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.608 -7.863 3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.909 -9.371 4.128 1.00 0.00 H new ATOM 736 N ASN A 48 -4.176 -8.701 -0.688 1.00 0.00 N ATOM 737 CA ASN A 48 -3.193 -8.810 -1.753 1.00 0.00 C ATOM 738 C ASN A 48 -2.179 -7.671 -1.624 1.00 0.00 C ATOM 739 O ASN A 48 -0.978 -7.884 -1.780 1.00 0.00 O ATOM 740 CB ASN A 48 -3.856 -8.698 -3.127 1.00 0.00 C ATOM 741 CG ASN A 48 -3.132 -9.567 -4.158 1.00 0.00 C ATOM 742 OD1 ASN A 48 -1.949 -9.844 -4.052 1.00 0.00 O ATOM 743 ND2 ASN A 48 -3.907 -9.980 -5.157 1.00 0.00 N ATOM 0 H ASN A 48 -5.027 -8.200 -0.942 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.706 -9.781 -1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.900 -9.004 -3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.850 -7.658 -3.454 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.518 -10.566 -5.896 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.890 -9.711 -5.184 1.00 0.00 H new ATOM 750 N GLU A 49 -2.701 -6.486 -1.340 1.00 0.00 N ATOM 751 CA GLU A 49 -1.856 -5.314 -1.188 1.00 0.00 C ATOM 752 C GLU A 49 -2.397 -4.410 -0.079 1.00 0.00 C ATOM 753 O GLU A 49 -3.597 -4.407 0.194 1.00 0.00 O ATOM 754 CB GLU A 49 -1.735 -4.551 -2.508 1.00 0.00 C ATOM 755 CG GLU A 49 -3.104 -4.063 -2.987 1.00 0.00 C ATOM 756 CD GLU A 49 -3.948 -5.227 -3.510 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.579 -5.761 -4.578 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.944 -5.557 -2.829 1.00 0.00 O ATOM 0 H GLU A 49 -3.698 -6.313 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.857 -5.644 -0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.066 -3.700 -2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.289 -5.196 -3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.626 -3.570 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.974 -3.320 -3.774 1.00 0.00 H new ATOM 765 N MET A 50 -1.487 -3.664 0.530 1.00 0.00 N ATOM 766 CA MET A 50 -1.858 -2.758 1.603 1.00 0.00 C ATOM 767 C MET A 50 -2.072 -1.338 1.073 1.00 0.00 C ATOM 768 O MET A 50 -1.351 -0.890 0.182 1.00 0.00 O ATOM 769 CB MET A 50 -0.758 -2.746 2.665 1.00 0.00 C ATOM 770 CG MET A 50 -1.147 -1.857 3.849 1.00 0.00 C ATOM 771 SD MET A 50 -0.423 -2.491 5.352 1.00 0.00 S ATOM 772 CE MET A 50 -0.337 -0.988 6.312 1.00 0.00 C ATOM 0 H MET A 50 -0.493 -3.669 0.300 1.00 0.00 H new ATOM 0 HA MET A 50 -2.793 -3.107 2.040 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.574 -3.762 3.014 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.172 -2.386 2.226 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.808 -0.836 3.675 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.232 -1.820 3.946 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.324 -1.139 7.166 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.051 -0.181 5.691 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.334 -0.725 6.667 1.00 0.00 H new ATOM 782 N LEU A 51 -3.065 -0.671 1.642 1.00 0.00 N ATOM 783 CA LEU A 51 -3.382 0.688 1.238 1.00 0.00 C ATOM 784 C LEU A 51 -2.998 1.652 2.361 1.00 0.00 C ATOM 785 O LEU A 51 -3.445 1.498 3.497 1.00 0.00 O ATOM 786 CB LEU A 51 -4.848 0.792 0.812 1.00 0.00 C ATOM 787 CG LEU A 51 -5.244 -0.008 -0.431 1.00 0.00 C ATOM 788 CD1 LEU A 51 -4.062 -0.148 -1.393 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.831 -1.367 -0.044 1.00 0.00 C ATOM 0 H LEU A 51 -3.661 -1.047 2.380 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.799 0.971 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.472 0.465 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.080 1.842 0.633 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.024 0.542 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.371 -0.721 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.729 0.841 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.244 -0.665 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.104 -1.915 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.090 -1.937 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.717 -1.218 0.573 1.00 0.00 H new ATOM 801 N PHE A 52 -2.174 2.627 2.006 1.00 0.00 N ATOM 802 CA PHE A 52 -1.725 3.616 2.970 1.00 0.00 C ATOM 803 C PHE A 52 -2.444 4.951 2.762 1.00 0.00 C ATOM 804 O PHE A 52 -2.099 5.712 1.860 1.00 0.00 O ATOM 805 CB PHE A 52 -0.225 3.817 2.740 1.00 0.00 C ATOM 806 CG PHE A 52 0.631 2.611 3.129 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.578 1.472 2.387 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.445 2.677 4.216 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.373 0.352 2.748 1.00 0.00 C ATOM 810 CE2 PHE A 52 2.240 1.557 4.577 1.00 0.00 C ATOM 811 CZ PHE A 52 2.187 0.418 3.835 1.00 0.00 C ATOM 0 H PHE A 52 -1.806 2.753 1.063 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.939 3.272 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.057 4.045 1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.107 4.684 3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.069 1.420 1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.487 3.581 4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.331 -0.552 2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.887 1.609 5.440 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.792 -0.434 4.109 1.00 0.00 H new ATOM 821 N ILE A 53 -3.431 5.193 3.612 1.00 0.00 N ATOM 822 CA ILE A 53 -4.202 6.422 3.533 1.00 0.00 C ATOM 823 C ILE A 53 -3.270 7.618 3.738 1.00 0.00 C ATOM 824 O ILE A 53 -2.630 7.739 4.781 1.00 0.00 O ATOM 825 CB ILE A 53 -5.376 6.383 4.513 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.441 5.385 4.052 1.00 0.00 C ATOM 827 CG2 ILE A 53 -5.956 7.782 4.730 1.00 0.00 C ATOM 828 CD1 ILE A 53 -6.860 5.659 2.606 1.00 0.00 C ATOM 0 H ILE A 53 -3.715 4.559 4.359 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.646 6.529 2.543 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.005 6.036 5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.054 4.370 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.311 5.449 4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.789 7.726 5.431 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.185 8.437 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.308 8.181 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.617 4.936 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.269 6.666 2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.992 5.570 1.953 1.00 0.00 H new ATOM 840 N ILE A 54 -3.222 8.471 2.725 1.00 0.00 N ATOM 841 CA ILE A 54 -2.379 9.653 2.782 1.00 0.00 C ATOM 842 C ILE A 54 -3.221 10.855 3.216 1.00 0.00 C ATOM 843 O ILE A 54 -2.830 11.599 4.114 1.00 0.00 O ATOM 844 CB ILE A 54 -1.655 9.859 1.449 1.00 0.00 C ATOM 845 CG1 ILE A 54 -1.011 8.557 0.968 1.00 0.00 C ATOM 846 CG2 ILE A 54 -0.639 10.999 1.547 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.228 8.218 1.800 1.00 0.00 C ATOM 0 H ILE A 54 -3.753 8.367 1.860 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.595 9.526 3.529 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.393 10.149 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.733 7.743 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.734 8.650 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.139 11.124 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.153 11.923 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.100 10.763 2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.666 7.288 1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.958 9.023 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.057 8.101 2.846 1.00 0.00 H new ATOM 859 N ARG A 55 -4.361 11.007 2.559 1.00 0.00 N ATOM 860 CA ARG A 55 -5.261 12.105 2.866 1.00 0.00 C ATOM 861 C ARG A 55 -6.615 11.888 2.187 1.00 0.00 C ATOM 862 O ARG A 55 -6.680 11.352 1.082 1.00 0.00 O ATOM 863 CB ARG A 55 -4.676 13.442 2.405 1.00 0.00 C ATOM 864 CG ARG A 55 -4.368 14.347 3.600 1.00 0.00 C ATOM 865 CD ARG A 55 -3.716 15.653 3.145 1.00 0.00 C ATOM 866 NE ARG A 55 -4.169 16.771 4.002 1.00 0.00 N ATOM 867 CZ ARG A 55 -3.877 18.059 3.774 1.00 0.00 C ATOM 868 NH1 ARG A 55 -3.131 18.399 2.715 1.00 0.00 N ATOM 869 NH2 ARG A 55 -4.331 19.006 4.606 1.00 0.00 N ATOM 0 H ARG A 55 -4.682 10.388 1.815 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.393 12.132 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.765 13.266 1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.380 13.941 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.288 14.565 4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.706 13.828 4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.631 15.563 3.194 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.973 15.854 2.105 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.739 16.547 4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.785 17.678 2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.909 19.379 2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.899 18.747 5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.109 19.986 4.433 1.00 0.00 H new ATOM 883 N GLY A 56 -7.662 12.315 2.877 1.00 0.00 N ATOM 884 CA GLY A 56 -9.011 12.174 2.354 1.00 0.00 C ATOM 885 C GLY A 56 -9.966 11.660 3.433 1.00 0.00 C ATOM 886 O GLY A 56 -9.783 11.944 4.616 1.00 0.00 O ATOM 0 H GLY A 56 -7.604 12.759 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.362 13.136 1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.007 11.486 1.509 1.00 0.00 H new ATOM 890 N ARG A 57 -10.964 10.912 2.987 1.00 0.00 N ATOM 891 CA ARG A 57 -11.948 10.355 3.900 1.00 0.00 C ATOM 892 C ARG A 57 -12.397 8.974 3.419 1.00 0.00 C ATOM 893 O ARG A 57 -12.267 8.651 2.240 1.00 0.00 O ATOM 894 CB ARG A 57 -13.170 11.269 4.016 1.00 0.00 C ATOM 895 CG ARG A 57 -13.909 11.032 5.335 1.00 0.00 C ATOM 896 CD ARG A 57 -13.932 12.303 6.187 1.00 0.00 C ATOM 897 NE ARG A 57 -15.323 12.785 6.337 1.00 0.00 N ATOM 898 CZ ARG A 57 -15.932 13.604 5.469 1.00 0.00 C ATOM 899 NH1 ARG A 57 -15.277 14.036 4.383 1.00 0.00 N ATOM 900 NH2 ARG A 57 -17.197 13.990 5.687 1.00 0.00 N ATOM 0 H ARG A 57 -11.113 10.678 2.005 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.479 10.267 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.856 12.311 3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.845 11.088 3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.930 10.708 5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.424 10.228 5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.500 12.102 7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.319 13.075 5.721 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.851 12.474 7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.315 13.741 4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.741 14.659 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.696 13.660 6.513 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.661 14.614 5.026 1.00 0.00 H new ATOM 914 N LEU A 58 -12.916 8.196 4.358 1.00 0.00 N ATOM 915 CA LEU A 58 -13.385 6.857 4.044 1.00 0.00 C ATOM 916 C LEU A 58 -14.401 6.416 5.101 1.00 0.00 C ATOM 917 O LEU A 58 -14.574 7.087 6.117 1.00 0.00 O ATOM 918 CB LEU A 58 -12.203 5.897 3.891 1.00 0.00 C ATOM 919 CG LEU A 58 -11.403 6.022 2.593 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.172 6.909 2.790 1.00 0.00 C ATOM 921 CD2 LEU A 58 -11.033 4.643 2.042 1.00 0.00 C ATOM 0 H LEU A 58 -13.022 8.467 5.336 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.899 6.850 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.524 6.051 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.577 4.876 3.967 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.034 6.508 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.621 6.981 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.487 7.904 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.529 6.475 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.465 4.760 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.428 4.109 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.942 4.076 1.839 1.00 0.00 H new ATOM 933 N GLU A 59 -15.045 5.292 4.824 1.00 0.00 N ATOM 934 CA GLU A 59 -16.039 4.755 5.737 1.00 0.00 C ATOM 935 C GLU A 59 -15.675 3.323 6.135 1.00 0.00 C ATOM 936 O GLU A 59 -15.600 2.438 5.284 1.00 0.00 O ATOM 937 CB GLU A 59 -17.438 4.814 5.122 1.00 0.00 C ATOM 938 CG GLU A 59 -17.721 3.566 4.283 1.00 0.00 C ATOM 939 CD GLU A 59 -19.033 3.711 3.509 1.00 0.00 C ATOM 940 OE1 GLU A 59 -20.090 3.701 4.177 1.00 0.00 O ATOM 941 OE2 GLU A 59 -18.950 3.829 2.267 1.00 0.00 O ATOM 0 H GLU A 59 -14.898 4.738 3.980 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.048 5.371 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.183 4.902 5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.528 5.704 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.900 3.398 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.772 2.691 4.932 1.00 0.00 H new ATOM 948 N SER A 60 -15.458 3.140 7.429 1.00 0.00 N ATOM 949 CA SER A 60 -15.103 1.830 7.950 1.00 0.00 C ATOM 950 C SER A 60 -16.332 1.165 8.573 1.00 0.00 C ATOM 951 O SER A 60 -17.121 1.821 9.251 1.00 0.00 O ATOM 952 CB SER A 60 -13.977 1.934 8.980 1.00 0.00 C ATOM 953 OG SER A 60 -14.476 2.152 10.297 1.00 0.00 O ATOM 0 H SER A 60 -15.521 3.876 8.132 1.00 0.00 H new ATOM 0 HA SER A 60 -14.746 1.217 7.122 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.385 1.019 8.964 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.309 2.751 8.706 1.00 0.00 H new ATOM 0 HG SER A 60 -13.726 2.211 10.925 1.00 0.00 H new ATOM 959 N VAL A 61 -16.456 -0.130 8.321 1.00 0.00 N ATOM 960 CA VAL A 61 -17.575 -0.892 8.848 1.00 0.00 C ATOM 961 C VAL A 61 -17.102 -2.301 9.209 1.00 0.00 C ATOM 962 O VAL A 61 -16.159 -2.816 8.611 1.00 0.00 O ATOM 963 CB VAL A 61 -18.730 -0.887 7.845 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.632 -2.107 8.042 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.535 0.410 7.941 1.00 0.00 C ATOM 0 H VAL A 61 -15.799 -0.671 7.758 1.00 0.00 H new ATOM 0 HA VAL A 61 -17.954 -0.433 9.761 1.00 0.00 H new ATOM 0 HB VAL A 61 -18.303 -0.943 6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.445 -2.079 7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.049 -3.017 7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.045 -2.095 9.051 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.350 0.387 7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -19.945 0.510 8.946 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -18.885 1.258 7.728 1.00 0.00 H new ATOM 1126 N ARG A 73 -20.397 1.013 12.681 1.00 0.00 N ATOM 1127 CA ARG A 73 -19.869 1.914 11.671 1.00 0.00 C ATOM 1128 C ARG A 73 -18.920 2.930 12.310 1.00 0.00 C ATOM 1129 O ARG A 73 -19.162 3.396 13.423 1.00 0.00 O ATOM 1130 CB ARG A 73 -20.996 2.660 10.955 1.00 0.00 C ATOM 1131 CG ARG A 73 -20.435 3.698 9.980 1.00 0.00 C ATOM 1132 CD ARG A 73 -21.560 4.505 9.331 1.00 0.00 C ATOM 1133 NE ARG A 73 -21.065 5.847 8.950 1.00 0.00 N ATOM 1134 CZ ARG A 73 -21.857 6.908 8.741 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -23.185 6.790 8.875 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -21.320 8.087 8.399 1.00 0.00 N ATOM 0 HA ARG A 73 -19.326 1.313 10.942 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -21.621 1.949 10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -21.634 3.153 11.689 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.759 4.370 10.508 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.849 3.198 9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -21.933 3.982 8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -22.397 4.600 10.023 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.059 5.972 8.840 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -23.593 5.893 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -23.787 7.598 8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.309 8.177 8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -21.922 8.895 8.240 1.00 0.00 H new ATOM 1150 N SER A 74 -17.860 3.243 11.580 1.00 0.00 N ATOM 1151 CA SER A 74 -16.873 4.194 12.061 1.00 0.00 C ATOM 1152 C SER A 74 -16.257 4.951 10.883 1.00 0.00 C ATOM 1153 O SER A 74 -16.505 4.614 9.726 1.00 0.00 O ATOM 1154 CB SER A 74 -15.781 3.493 12.872 1.00 0.00 C ATOM 1155 OG SER A 74 -16.292 2.922 14.073 1.00 0.00 O ATOM 0 H SER A 74 -17.663 2.854 10.658 1.00 0.00 H new ATOM 0 HA SER A 74 -17.375 4.904 12.718 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.324 2.712 12.265 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.995 4.208 13.116 1.00 0.00 H new ATOM 0 HG SER A 74 -15.565 2.483 14.561 1.00 0.00 H new ATOM 1161 N LEU A 75 -15.464 5.959 11.217 1.00 0.00 N ATOM 1162 CA LEU A 75 -14.810 6.765 10.201 1.00 0.00 C ATOM 1163 C LEU A 75 -13.308 6.819 10.486 1.00 0.00 C ATOM 1164 O LEU A 75 -12.883 6.641 11.627 1.00 0.00 O ATOM 1165 CB LEU A 75 -15.468 8.144 10.106 1.00 0.00 C ATOM 1166 CG LEU A 75 -15.232 8.911 8.803 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -16.312 8.584 7.771 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -15.125 10.415 9.064 1.00 0.00 C ATOM 0 H LEU A 75 -15.260 6.236 12.177 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.931 6.310 9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.542 8.022 10.243 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.108 8.754 10.934 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.279 8.588 8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.121 9.142 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.297 7.516 7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.289 8.861 8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.957 10.937 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.050 10.772 9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.292 10.609 9.739 1.00 0.00 H new ATOM 1180 N LEU A 76 -12.546 7.064 9.431 1.00 0.00 N ATOM 1181 CA LEU A 76 -11.100 7.143 9.554 1.00 0.00 C ATOM 1182 C LEU A 76 -10.618 8.483 8.997 1.00 0.00 C ATOM 1183 O LEU A 76 -11.314 9.118 8.207 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.439 5.930 8.896 1.00 0.00 C ATOM 1185 CG LEU A 76 -11.119 4.581 9.141 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.672 3.546 8.106 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -10.880 4.098 10.573 1.00 0.00 C ATOM 0 H LEU A 76 -12.902 7.211 8.487 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.804 7.108 10.603 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.396 6.103 7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.410 5.865 9.250 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.194 4.714 9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.170 2.596 8.303 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.935 3.894 7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.592 3.410 8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.374 3.138 10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.810 3.986 10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.286 4.826 11.275 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.428 8.875 9.431 1.00 0.00 N ATOM 1200 CA LYS A 77 -8.845 10.128 8.986 1.00 0.00 C ATOM 1201 C LYS A 77 -7.362 9.914 8.677 1.00 0.00 C ATOM 1202 O LYS A 77 -6.843 8.810 8.840 1.00 0.00 O ATOM 1203 CB LYS A 77 -9.106 11.235 10.010 1.00 0.00 C ATOM 1204 CG LYS A 77 -8.119 11.146 11.176 1.00 0.00 C ATOM 1205 CD LYS A 77 -8.196 12.396 12.055 1.00 0.00 C ATOM 1206 CE LYS A 77 -6.856 12.665 12.744 1.00 0.00 C ATOM 1207 NZ LYS A 77 -6.931 13.898 13.558 1.00 0.00 N ATOM 0 H LYS A 77 -8.853 8.346 10.086 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.319 10.462 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.019 12.209 9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.126 11.155 10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.337 10.262 11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.106 11.029 10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.475 13.256 11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.976 12.270 12.806 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.590 11.819 13.378 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.069 12.763 11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.014 14.066 14.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.164 14.705 12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.668 13.791 14.284 1.00 0.00 H new ATOM 1221 N GLU A 78 -6.721 10.987 8.236 1.00 0.00 N ATOM 1222 CA GLU A 78 -5.308 10.930 7.903 1.00 0.00 C ATOM 1223 C GLU A 78 -4.508 10.362 9.077 1.00 0.00 C ATOM 1224 O GLU A 78 -4.625 10.844 10.203 1.00 0.00 O ATOM 1225 CB GLU A 78 -4.784 12.309 7.498 1.00 0.00 C ATOM 1226 CG GLU A 78 -5.015 13.332 8.612 1.00 0.00 C ATOM 1227 CD GLU A 78 -4.442 14.698 8.230 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -3.204 14.772 8.079 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -5.256 15.637 8.097 1.00 0.00 O ATOM 0 H GLU A 78 -7.154 11.901 8.102 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.183 10.265 7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.719 12.246 7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.284 12.639 6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.083 13.424 8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.549 12.983 9.533 1.00 0.00 H new ATOM 1236 N GLY A 79 -3.712 9.347 8.774 1.00 0.00 N ATOM 1237 CA GLY A 79 -2.893 8.709 9.791 1.00 0.00 C ATOM 1238 C GLY A 79 -3.307 7.249 9.992 1.00 0.00 C ATOM 1239 O GLY A 79 -2.471 6.400 10.295 1.00 0.00 O ATOM 0 H GLY A 79 -3.617 8.951 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.844 8.756 9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.988 9.251 10.732 1.00 0.00 H new ATOM 1243 N ASP A 80 -4.597 7.003 9.815 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.131 5.662 9.973 1.00 0.00 C ATOM 1245 C ASP A 80 -4.764 4.823 8.747 1.00 0.00 C ATOM 1246 O ASP A 80 -4.743 5.331 7.627 1.00 0.00 O ATOM 1247 CB ASP A 80 -6.657 5.686 10.089 1.00 0.00 C ATOM 1248 CG ASP A 80 -7.223 4.980 11.322 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -7.301 3.733 11.276 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -7.565 5.703 12.283 1.00 0.00 O ATOM 0 H ASP A 80 -5.288 7.710 9.564 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.707 5.236 10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.989 6.724 10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.081 5.224 9.198 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.482 3.554 9.001 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.116 2.640 7.932 1.00 0.00 C ATOM 1257 C PHE A 81 -5.108 1.478 7.840 1.00 0.00 C ATOM 1258 O PHE A 81 -5.848 1.213 8.786 1.00 0.00 O ATOM 1259 CB PHE A 81 -2.731 2.087 8.271 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.436 2.022 9.771 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -2.777 0.915 10.483 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -1.834 3.071 10.392 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.504 0.854 11.875 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -1.561 3.011 11.784 1.00 0.00 C ATOM 1265 CZ PHE A 81 -1.901 1.904 12.496 1.00 0.00 C ATOM 0 H PHE A 81 -4.499 3.137 9.932 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.122 3.164 6.976 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.638 1.086 7.849 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -1.976 2.708 7.789 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.256 0.082 9.990 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.563 3.950 9.826 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.775 -0.025 12.441 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.083 3.845 12.277 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.693 1.858 13.555 1.00 0.00 H new ATOM 1275 N CYS A 82 -5.090 0.816 6.693 1.00 0.00 N ATOM 1276 CA CYS A 82 -5.978 -0.311 6.465 1.00 0.00 C ATOM 1277 C CYS A 82 -5.123 -1.546 6.176 1.00 0.00 C ATOM 1278 O CYS A 82 -3.943 -1.426 5.851 1.00 0.00 O ATOM 1279 CB CYS A 82 -6.973 -0.029 5.337 1.00 0.00 C ATOM 1280 SG CYS A 82 -7.960 1.461 5.731 1.00 0.00 S ATOM 0 H CYS A 82 -4.474 1.039 5.911 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.580 -0.488 7.356 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.439 0.116 4.398 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.632 -0.886 5.200 1.00 0.00 H new ATOM 0 HG CYS A 82 -8.800 1.693 4.766 1.00 0.00 H new ATOM 1286 N GLY A 83 -5.751 -2.705 6.306 1.00 0.00 N ATOM 1287 CA GLY A 83 -5.063 -3.961 6.062 1.00 0.00 C ATOM 1288 C GLY A 83 -3.617 -3.899 6.559 1.00 0.00 C ATOM 1289 O GLY A 83 -2.696 -4.303 5.851 1.00 0.00 O ATOM 0 H GLY A 83 -6.730 -2.801 6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.590 -4.772 6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.076 -4.186 4.995 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.463 -3.388 7.772 1.00 0.00 N ATOM 1294 CA ASP A 84 -2.145 -3.267 8.371 1.00 0.00 C ATOM 1295 C ASP A 84 -1.543 -4.662 8.554 1.00 0.00 C ATOM 1296 O ASP A 84 -0.337 -4.847 8.398 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.224 -2.602 9.747 1.00 0.00 C ATOM 1298 CG ASP A 84 -2.403 -3.565 10.921 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -3.513 -4.129 11.028 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -1.426 -3.716 11.686 1.00 0.00 O ATOM 0 H ASP A 84 -4.229 -3.053 8.356 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.529 -2.657 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.314 -2.023 9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.055 -1.896 9.746 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.411 -5.607 8.884 1.00 0.00 N ATOM 1306 CA GLU A 85 -1.980 -6.979 9.090 1.00 0.00 C ATOM 1307 C GLU A 85 -0.947 -7.376 8.033 1.00 0.00 C ATOM 1308 O GLU A 85 0.043 -8.037 8.345 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.173 -7.937 9.077 1.00 0.00 C ATOM 1310 CG GLU A 85 -3.542 -8.373 10.496 1.00 0.00 C ATOM 1311 CD GLU A 85 -2.572 -9.439 11.011 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -1.456 -9.044 11.412 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -2.968 -10.624 10.993 1.00 0.00 O ATOM 0 H GLU A 85 -3.410 -5.450 9.014 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.511 -7.048 10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.029 -7.451 8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.934 -8.813 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.526 -7.510 11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.559 -8.765 10.507 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.212 -6.955 6.805 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.318 -7.258 5.701 1.00 0.00 C ATOM 1322 C LEU A 86 1.107 -6.845 6.076 1.00 0.00 C ATOM 1323 O LEU A 86 2.050 -7.611 5.882 1.00 0.00 O ATOM 1324 CB LEU A 86 -0.825 -6.615 4.409 1.00 0.00 C ATOM 1325 CG LEU A 86 -0.032 -6.941 3.141 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.037 -8.445 2.863 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -0.551 -6.135 1.948 1.00 0.00 C ATOM 0 H LEU A 86 -2.033 -6.406 6.550 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.299 -8.331 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.860 -6.922 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.830 -5.533 4.543 1.00 0.00 H new ATOM 0 HG LEU A 86 1.005 -6.647 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.533 -8.649 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.416 -8.972 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.063 -8.787 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.029 -6.385 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.600 -6.375 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.452 -5.070 2.158 1.00 0.00 H new ATOM 1339 N LEU A 87 1.218 -5.636 6.606 1.00 0.00 N ATOM 1340 CA LEU A 87 2.512 -5.112 7.010 1.00 0.00 C ATOM 1341 C LEU A 87 3.211 -6.131 7.913 1.00 0.00 C ATOM 1342 O LEU A 87 4.325 -6.563 7.621 1.00 0.00 O ATOM 1343 CB LEU A 87 2.355 -3.731 7.649 1.00 0.00 C ATOM 1344 CG LEU A 87 3.480 -2.732 7.372 1.00 0.00 C ATOM 1345 CD1 LEU A 87 3.303 -2.072 6.003 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.587 -1.700 8.497 1.00 0.00 C ATOM 0 H LEU A 87 0.433 -5.004 6.765 1.00 0.00 H new ATOM 0 HA LEU A 87 3.152 -4.965 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.417 -3.297 7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.268 -3.860 8.728 1.00 0.00 H new ATOM 0 HG LEU A 87 4.423 -3.278 7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.116 -1.367 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.316 -2.836 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.351 -1.542 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.394 -1.002 8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.648 -1.154 8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.796 -2.208 9.438 1.00 0.00 H new ATOM 1358 N THR A 88 2.527 -6.485 8.991 1.00 0.00 N ATOM 1359 CA THR A 88 3.068 -7.445 9.938 1.00 0.00 C ATOM 1360 C THR A 88 3.253 -8.809 9.269 1.00 0.00 C ATOM 1361 O THR A 88 4.275 -9.466 9.463 1.00 0.00 O ATOM 1362 CB THR A 88 2.139 -7.486 11.153 1.00 0.00 C ATOM 1363 OG1 THR A 88 2.841 -6.749 12.151 1.00 0.00 O ATOM 1364 CG2 THR A 88 2.013 -8.891 11.747 1.00 0.00 C ATOM 0 H THR A 88 1.603 -6.124 9.230 1.00 0.00 H new ATOM 0 HA THR A 88 4.060 -7.148 10.279 1.00 0.00 H new ATOM 0 HB THR A 88 1.152 -7.123 10.868 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.309 -6.724 12.974 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.343 -8.864 12.606 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.611 -9.569 10.994 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.995 -9.241 12.064 1.00 0.00 H new ATOM 1372 N TRP A 89 2.249 -9.193 8.495 1.00 0.00 N ATOM 1373 CA TRP A 89 2.288 -10.466 7.796 1.00 0.00 C ATOM 1374 C TRP A 89 3.695 -10.647 7.221 1.00 0.00 C ATOM 1375 O TRP A 89 4.415 -11.564 7.610 1.00 0.00 O ATOM 1376 CB TRP A 89 1.193 -10.541 6.731 1.00 0.00 C ATOM 1377 CG TRP A 89 1.386 -11.670 5.717 1.00 0.00 C ATOM 1378 CD1 TRP A 89 0.987 -12.946 5.816 1.00 0.00 C ATOM 1379 CD2 TRP A 89 2.047 -11.573 4.438 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.342 -13.675 4.699 1.00 0.00 N ATOM 1381 CE2 TRP A 89 2.007 -12.814 3.834 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.660 -10.474 3.811 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.560 -13.072 2.575 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.208 -10.748 2.553 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.176 -11.992 1.932 1.00 0.00 C ATOM 0 H TRP A 89 1.403 -8.645 8.336 1.00 0.00 H new ATOM 0 HA TRP A 89 2.083 -11.288 8.481 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.230 -10.670 7.224 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.153 -9.591 6.198 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.455 -13.352 6.663 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.151 -14.664 4.538 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.704 -9.495 4.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.514 -14.052 2.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.690 -9.937 2.027 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.624 -12.124 0.958 1.00 0.00 H new ATOM 1396 N ALA A 90 4.043 -9.757 6.303 1.00 0.00 N ATOM 1397 CA ALA A 90 5.350 -9.807 5.670 1.00 0.00 C ATOM 1398 C ALA A 90 6.431 -9.887 6.749 1.00 0.00 C ATOM 1399 O ALA A 90 7.311 -10.744 6.689 1.00 0.00 O ATOM 1400 CB ALA A 90 5.523 -8.589 4.760 1.00 0.00 C ATOM 0 H ALA A 90 3.443 -8.997 5.983 1.00 0.00 H new ATOM 0 HA ALA A 90 5.441 -10.696 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.503 -8.626 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.748 -8.594 3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.441 -7.678 5.352 1.00 0.00 H new ATOM 1406 N LEU A 91 6.330 -8.981 7.711 1.00 0.00 N ATOM 1407 CA LEU A 91 7.289 -8.939 8.802 1.00 0.00 C ATOM 1408 C LEU A 91 7.391 -10.326 9.440 1.00 0.00 C ATOM 1409 O LEU A 91 8.475 -10.752 9.836 1.00 0.00 O ATOM 1410 CB LEU A 91 6.924 -7.831 9.793 1.00 0.00 C ATOM 1411 CG LEU A 91 7.805 -6.581 9.756 1.00 0.00 C ATOM 1412 CD1 LEU A 91 8.273 -6.282 8.330 1.00 0.00 C ATOM 1413 CD2 LEU A 91 7.088 -5.386 10.387 1.00 0.00 C ATOM 0 H LEU A 91 5.599 -8.271 7.757 1.00 0.00 H new ATOM 0 HA LEU A 91 8.281 -8.687 8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.893 -7.530 9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.959 -8.246 10.800 1.00 0.00 H new ATOM 0 HG LEU A 91 8.696 -6.773 10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.897 -5.389 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.849 -7.127 7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.406 -6.118 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.736 -4.511 10.348 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.169 -5.182 9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.847 -5.613 11.426 1.00 0.00 H new ATOM 1425 N ASP A 92 6.248 -10.991 9.520 1.00 0.00 N ATOM 1426 CA ASP A 92 6.195 -12.321 10.103 1.00 0.00 C ATOM 1427 C ASP A 92 5.774 -13.327 9.031 1.00 0.00 C ATOM 1428 O ASP A 92 4.586 -13.591 8.854 1.00 0.00 O ATOM 1429 CB ASP A 92 5.172 -12.384 11.239 1.00 0.00 C ATOM 1430 CG ASP A 92 5.740 -12.790 12.600 1.00 0.00 C ATOM 1431 OD1 ASP A 92 6.342 -11.909 13.250 1.00 0.00 O ATOM 1432 OD2 ASP A 92 5.559 -13.974 12.960 1.00 0.00 O ATOM 0 H ASP A 92 5.351 -10.634 9.191 1.00 0.00 H new ATOM 0 HA ASP A 92 7.184 -12.557 10.495 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.699 -11.407 11.337 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.389 -13.091 10.964 1.00 0.00 H new ATOM 1437 N PRO A 93 6.798 -13.875 8.323 1.00 0.00 N ATOM 1438 CA PRO A 93 6.546 -14.847 7.273 1.00 0.00 C ATOM 1439 C PRO A 93 6.178 -16.210 7.863 1.00 0.00 C ATOM 1440 O PRO A 93 5.520 -17.016 7.208 1.00 0.00 O ATOM 1441 CB PRO A 93 7.826 -14.881 6.453 1.00 0.00 C ATOM 1442 CG PRO A 93 8.905 -14.280 7.340 1.00 0.00 C ATOM 1443 CD PRO A 93 8.218 -13.586 8.505 1.00 0.00 C ATOM 0 HA PRO A 93 5.695 -14.579 6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 93 8.079 -15.902 6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.715 -14.310 5.531 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.578 -15.057 7.702 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.511 -13.570 6.777 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.580 -13.965 9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.408 -12.513 8.495 1.00 0.00 H new ATOM 1451 N LYS A 94 6.619 -16.424 9.093 1.00 0.00 N ATOM 1452 CA LYS A 94 6.344 -17.676 9.779 1.00 0.00 C ATOM 1453 C LYS A 94 4.835 -17.927 9.787 1.00 0.00 C ATOM 1454 O LYS A 94 4.392 -19.072 9.711 1.00 0.00 O ATOM 1455 CB LYS A 94 6.975 -17.672 11.173 1.00 0.00 C ATOM 1456 CG LYS A 94 8.487 -17.454 11.091 1.00 0.00 C ATOM 1457 CD LYS A 94 9.136 -18.466 10.144 1.00 0.00 C ATOM 1458 CE LYS A 94 10.470 -18.964 10.705 1.00 0.00 C ATOM 1459 NZ LYS A 94 11.592 -18.171 10.153 1.00 0.00 N ATOM 0 H LYS A 94 7.165 -15.752 9.633 1.00 0.00 H new ATOM 0 HA LYS A 94 6.803 -18.511 9.249 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.523 -16.886 11.778 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.767 -18.618 11.673 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.694 -16.442 10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.926 -17.547 12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.464 -19.310 9.992 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.296 -18.006 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.465 -18.890 11.792 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.605 -20.017 10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.490 -18.521 10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.606 -18.263 9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.470 -17.171 10.410 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.330 -15.155 2.316 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.411 -13.736 2.617 1.00 0.00 C ATOM 1518 C LEU A 99 -3.220 -13.537 3.900 1.00 0.00 C ATOM 1519 O LEU A 99 -4.023 -14.392 4.271 1.00 0.00 O ATOM 1520 CB LEU A 99 -2.962 -12.964 1.417 1.00 0.00 C ATOM 1521 CG LEU A 99 -2.179 -13.108 0.110 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -3.048 -12.735 -1.093 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -0.883 -12.296 0.155 1.00 0.00 C ATOM 0 HA LEU A 99 -1.417 -13.328 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.987 -13.289 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.003 -11.907 1.678 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.899 -14.155 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.468 -12.846 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.917 -13.392 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.379 -11.701 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.346 -12.416 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.119 -11.243 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.260 -12.650 0.976 1.00 0.00 H new ATOM 1535 N PRO A 100 -2.974 -12.373 4.560 1.00 0.00 N ATOM 1536 CA PRO A 100 -3.670 -12.051 5.794 1.00 0.00 C ATOM 1537 C PRO A 100 -5.114 -11.628 5.515 1.00 0.00 C ATOM 1538 O PRO A 100 -5.485 -11.398 4.365 1.00 0.00 O ATOM 1539 CB PRO A 100 -2.842 -10.950 6.437 1.00 0.00 C ATOM 1540 CG PRO A 100 -1.978 -10.376 5.326 1.00 0.00 C ATOM 1541 CD PRO A 100 -2.030 -11.338 4.151 1.00 0.00 C ATOM 0 HA PRO A 100 -3.758 -12.907 6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.483 -10.182 6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.227 -11.345 7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.341 -9.392 5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.951 -10.247 5.669 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.362 -10.836 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.047 -11.759 3.941 1.00 0.00 H new ATOM 1549 N SER A 101 -5.888 -11.538 6.586 1.00 0.00 N ATOM 1550 CA SER A 101 -7.282 -11.146 6.470 1.00 0.00 C ATOM 1551 C SER A 101 -7.541 -9.883 7.294 1.00 0.00 C ATOM 1552 O SER A 101 -7.207 -9.830 8.477 1.00 0.00 O ATOM 1553 CB SER A 101 -8.211 -12.275 6.923 1.00 0.00 C ATOM 1554 OG SER A 101 -7.783 -13.544 6.438 1.00 0.00 O ATOM 0 H SER A 101 -5.576 -11.730 7.538 1.00 0.00 H new ATOM 0 HA SER A 101 -7.492 -10.937 5.421 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.250 -12.297 8.012 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.223 -12.075 6.572 1.00 0.00 H new ATOM 0 HG SER A 101 -8.400 -14.238 6.750 1.00 0.00 H new ATOM 1560 N SER A 102 -8.134 -8.897 6.637 1.00 0.00 N ATOM 1561 CA SER A 102 -8.442 -7.638 7.294 1.00 0.00 C ATOM 1562 C SER A 102 -9.372 -7.882 8.484 1.00 0.00 C ATOM 1563 O SER A 102 -9.999 -8.936 8.580 1.00 0.00 O ATOM 1564 CB SER A 102 -9.079 -6.648 6.317 1.00 0.00 C ATOM 1565 OG SER A 102 -8.810 -5.296 6.676 1.00 0.00 O ATOM 0 H SER A 102 -8.409 -8.945 5.656 1.00 0.00 H new ATOM 0 HA SER A 102 -7.509 -7.203 7.653 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.703 -6.838 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.157 -6.808 6.290 1.00 0.00 H new ATOM 0 HG SER A 102 -9.654 -4.806 6.760 1.00 0.00 H new ATOM 1571 N THR A 103 -9.432 -6.890 9.360 1.00 0.00 N ATOM 1572 CA THR A 103 -10.275 -6.984 10.540 1.00 0.00 C ATOM 1573 C THR A 103 -11.437 -5.994 10.445 1.00 0.00 C ATOM 1574 O THR A 103 -12.270 -5.920 11.347 1.00 0.00 O ATOM 1575 CB THR A 103 -9.392 -6.769 11.771 1.00 0.00 C ATOM 1576 OG1 THR A 103 -8.873 -5.453 11.599 1.00 0.00 O ATOM 1577 CG2 THR A 103 -8.151 -7.663 11.764 1.00 0.00 C ATOM 0 H THR A 103 -8.911 -6.017 9.276 1.00 0.00 H new ATOM 0 HA THR A 103 -10.734 -7.969 10.620 1.00 0.00 H new ATOM 0 HB THR A 103 -9.973 -6.962 12.673 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.290 -5.230 12.354 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.559 -7.471 12.659 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.456 -8.709 11.749 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.552 -7.447 10.879 1.00 0.00 H new ATOM 1585 N ARG A 104 -11.456 -5.257 9.344 1.00 0.00 N ATOM 1586 CA ARG A 104 -12.502 -4.274 9.119 1.00 0.00 C ATOM 1587 C ARG A 104 -12.545 -3.871 7.644 1.00 0.00 C ATOM 1588 O ARG A 104 -11.513 -3.840 6.975 1.00 0.00 O ATOM 1589 CB ARG A 104 -12.278 -3.025 9.975 1.00 0.00 C ATOM 1590 CG ARG A 104 -11.052 -2.245 9.495 1.00 0.00 C ATOM 1591 CD ARG A 104 -11.439 -0.832 9.056 1.00 0.00 C ATOM 1592 NE ARG A 104 -11.316 0.105 10.195 1.00 0.00 N ATOM 1593 CZ ARG A 104 -10.162 0.383 10.817 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -9.025 -0.202 10.414 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -10.144 1.245 11.842 1.00 0.00 N ATOM 0 H ARG A 104 -10.763 -5.321 8.598 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.451 -4.730 9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -13.160 -2.386 9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.145 -3.313 11.018 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.314 -2.192 10.295 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.583 -2.772 8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.796 -0.508 8.237 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.462 -0.827 8.679 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.162 0.568 10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.038 -0.859 9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.147 0.010 10.888 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.009 1.690 12.149 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.265 1.456 12.315 1.00 0.00 H new ATOM 1609 N THR A 105 -13.749 -3.574 7.179 1.00 0.00 N ATOM 1610 CA THR A 105 -13.940 -3.175 5.795 1.00 0.00 C ATOM 1611 C THR A 105 -14.000 -1.651 5.683 1.00 0.00 C ATOM 1612 O THR A 105 -14.462 -0.975 6.600 1.00 0.00 O ATOM 1613 CB THR A 105 -15.196 -3.873 5.270 1.00 0.00 C ATOM 1614 OG1 THR A 105 -14.840 -5.252 5.238 1.00 0.00 O ATOM 1615 CG2 THR A 105 -15.490 -3.529 3.809 1.00 0.00 C ATOM 0 H THR A 105 -14.603 -3.602 7.736 1.00 0.00 H new ATOM 0 HA THR A 105 -13.098 -3.482 5.175 1.00 0.00 H new ATOM 0 HB THR A 105 -16.050 -3.594 5.887 1.00 0.00 H new ATOM 0 HG1 THR A 105 -15.599 -5.778 4.911 1.00 0.00 H new ATOM 0 HG21 THR A 105 -16.391 -4.051 3.487 1.00 0.00 H new ATOM 0 HG22 THR A 105 -15.638 -2.454 3.711 1.00 0.00 H new ATOM 0 HG23 THR A 105 -14.650 -3.837 3.186 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.525 -1.153 4.550 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.519 0.279 4.306 1.00 0.00 C ATOM 1625 C VAL A 106 -13.975 0.549 2.870 1.00 0.00 C ATOM 1626 O VAL A 106 -13.665 -0.220 1.961 1.00 0.00 O ATOM 1627 CB VAL A 106 -12.136 0.856 4.612 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -11.963 2.235 3.972 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -11.889 0.916 6.121 1.00 0.00 C ATOM 0 H VAL A 106 -13.142 -1.716 3.791 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.221 0.783 4.971 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.391 0.190 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.971 2.622 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.075 2.151 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.719 2.915 4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.899 1.330 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.643 1.549 6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.949 -0.089 6.540 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.703 1.644 2.711 1.00 0.00 N ATOM 1640 CA LYS A 107 -15.205 2.026 1.402 1.00 0.00 C ATOM 1641 C LYS A 107 -14.880 3.498 1.145 1.00 0.00 C ATOM 1642 O LYS A 107 -14.688 4.269 2.085 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.694 1.695 1.281 1.00 0.00 C ATOM 1644 CG LYS A 107 -17.074 1.397 -0.171 1.00 0.00 C ATOM 1645 CD LYS A 107 -18.456 1.962 -0.503 1.00 0.00 C ATOM 1646 CE LYS A 107 -18.341 3.325 -1.189 1.00 0.00 C ATOM 1647 NZ LYS A 107 -19.541 3.592 -2.014 1.00 0.00 N ATOM 0 H LYS A 107 -14.958 2.279 3.467 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.709 1.449 0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.931 0.834 1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -17.287 2.531 1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -16.330 1.828 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -17.068 0.320 -0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -18.990 1.268 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -19.042 2.059 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -18.226 4.108 -0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -17.449 3.350 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.280 4.193 -2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.930 2.693 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.257 4.079 -1.438 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.828 3.846 -0.133 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.529 5.213 -0.525 1.00 0.00 C ATOM 1663 C ALA A 108 -15.820 5.907 -0.961 1.00 0.00 C ATOM 1664 O ALA A 108 -16.451 5.498 -1.935 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.468 5.207 -1.628 1.00 0.00 C ATOM 0 H ALA A 108 -14.988 3.205 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 108 -14.121 5.774 0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.243 6.232 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.561 4.729 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.843 4.656 -2.490 1.00 0.00 H new ATOM 1671 N LEU A 109 -16.175 6.947 -0.220 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.380 7.702 -0.518 1.00 0.00 C ATOM 1673 C LEU A 109 -17.005 8.968 -1.291 1.00 0.00 C ATOM 1674 O LEU A 109 -17.827 9.522 -2.019 1.00 0.00 O ATOM 1675 CB LEU A 109 -18.172 7.975 0.762 1.00 0.00 C ATOM 1676 CG LEU A 109 -18.018 6.940 1.879 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -16.948 7.373 2.883 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -19.361 6.662 2.557 1.00 0.00 C ATOM 0 H LEU A 109 -15.649 7.284 0.586 1.00 0.00 H new ATOM 0 HA LEU A 109 -18.044 7.122 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -17.872 8.948 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -19.228 8.047 0.504 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.682 6.004 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -16.858 6.620 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -15.991 7.480 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -17.231 8.327 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -19.224 5.923 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -19.749 7.585 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -20.068 6.279 1.821 1.00 0.00 H new ATOM 1690 N THR A 110 -15.762 9.390 -1.106 1.00 0.00 N ATOM 1691 CA THR A 110 -15.268 10.580 -1.776 1.00 0.00 C ATOM 1692 C THR A 110 -13.864 10.335 -2.332 1.00 0.00 C ATOM 1693 O THR A 110 -13.219 9.346 -1.987 1.00 0.00 O ATOM 1694 CB THR A 110 -15.334 11.743 -0.784 1.00 0.00 C ATOM 1695 OG1 THR A 110 -14.573 12.774 -1.407 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.576 11.451 0.512 1.00 0.00 C ATOM 0 H THR A 110 -15.083 8.928 -0.501 1.00 0.00 H new ATOM 0 HA THR A 110 -15.885 10.833 -2.638 1.00 0.00 H new ATOM 0 HB THR A 110 -16.376 11.964 -0.553 1.00 0.00 H new ATOM 0 HG1 THR A 110 -15.066 13.123 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.655 12.308 1.181 1.00 0.00 H new ATOM 0 HG22 THR A 110 -15.006 10.573 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.527 11.263 0.285 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.432 11.253 -3.185 1.00 0.00 N ATOM 1705 CA GLU A 111 -12.116 11.148 -3.792 1.00 0.00 C ATOM 1706 C GLU A 111 -11.048 10.947 -2.715 1.00 0.00 C ATOM 1707 O GLU A 111 -10.893 11.782 -1.826 1.00 0.00 O ATOM 1708 CB GLU A 111 -11.807 12.380 -4.646 1.00 0.00 C ATOM 1709 CG GLU A 111 -10.762 12.057 -5.716 1.00 0.00 C ATOM 1710 CD GLU A 111 -10.811 13.078 -6.855 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -11.929 13.309 -7.363 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -9.728 13.604 -7.192 1.00 0.00 O ATOM 0 H GLU A 111 -13.970 12.072 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.109 10.278 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.721 12.736 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.444 13.187 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.768 12.053 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.938 11.057 -6.111 1.00 0.00 H new ATOM 1719 N VAL A 112 -10.340 9.833 -2.830 1.00 0.00 N ATOM 1720 CA VAL A 112 -9.291 9.511 -1.877 1.00 0.00 C ATOM 1721 C VAL A 112 -7.933 9.581 -2.577 1.00 0.00 C ATOM 1722 O VAL A 112 -7.838 9.346 -3.781 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.565 8.147 -1.239 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -8.564 7.855 -0.120 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -11.003 8.062 -0.725 1.00 0.00 C ATOM 0 H VAL A 112 -10.472 9.142 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.276 10.238 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.439 7.385 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.781 6.880 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.553 7.854 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.644 8.623 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.172 7.083 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.168 8.837 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.695 8.205 -1.555 1.00 0.00 H new ATOM 1735 N GLU A 113 -6.915 9.906 -1.793 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.566 10.011 -2.323 1.00 0.00 C ATOM 1737 C GLU A 113 -4.593 9.209 -1.457 1.00 0.00 C ATOM 1738 O GLU A 113 -4.283 9.605 -0.334 1.00 0.00 O ATOM 1739 CB GLU A 113 -5.130 11.474 -2.428 1.00 0.00 C ATOM 1740 CG GLU A 113 -5.687 12.123 -3.696 1.00 0.00 C ATOM 1741 CD GLU A 113 -5.994 13.604 -3.465 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -6.495 13.914 -2.363 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -5.720 14.392 -4.396 1.00 0.00 O ATOM 0 H GLU A 113 -6.997 10.100 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.557 9.592 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.475 12.024 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.042 11.533 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -4.967 12.020 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.594 11.604 -4.006 1.00 0.00 H new ATOM 1750 N ALA A 114 -4.137 8.095 -2.012 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.204 7.234 -1.304 1.00 0.00 C ATOM 1752 C ALA A 114 -2.493 6.325 -2.308 1.00 0.00 C ATOM 1753 O ALA A 114 -2.819 6.330 -3.495 1.00 0.00 O ATOM 1754 CB ALA A 114 -3.954 6.443 -0.231 1.00 0.00 C ATOM 0 H ALA A 114 -4.396 7.769 -2.943 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.441 7.827 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.255 5.797 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.417 7.134 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.726 5.833 -0.701 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.535 5.567 -1.797 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.775 4.655 -2.634 1.00 0.00 C ATOM 1762 C PHE A 115 -1.064 3.199 -2.262 1.00 0.00 C ATOM 1763 O PHE A 115 -1.765 2.931 -1.287 1.00 0.00 O ATOM 1764 CB PHE A 115 0.706 4.948 -2.386 1.00 0.00 C ATOM 1765 CG PHE A 115 1.109 6.397 -2.667 1.00 0.00 C ATOM 1766 CD1 PHE A 115 0.972 7.341 -1.698 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.604 6.741 -3.886 1.00 0.00 C ATOM 1768 CE1 PHE A 115 1.346 8.686 -1.958 1.00 0.00 C ATOM 1769 CE2 PHE A 115 1.978 8.086 -4.147 1.00 0.00 C ATOM 1770 CZ PHE A 115 1.841 9.030 -3.177 1.00 0.00 C ATOM 0 H PHE A 115 -1.267 5.566 -0.813 1.00 0.00 H new ATOM 0 HA PHE A 115 -1.048 4.796 -3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.944 4.710 -1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.306 4.287 -3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.579 7.068 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.713 5.991 -4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 115 1.237 9.435 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.371 8.359 -5.115 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.125 10.053 -3.375 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.509 2.297 -3.058 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.698 0.875 -2.824 1.00 0.00 C ATOM 1782 C ALA A 116 0.631 0.252 -2.396 1.00 0.00 C ATOM 1783 O ALA A 116 1.687 0.861 -2.557 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.269 0.222 -4.084 1.00 0.00 C ATOM 0 H ALA A 116 0.072 2.523 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.414 0.710 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.411 -0.844 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.227 0.680 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.576 0.364 -4.913 1.00 0.00 H new ATOM 1790 N LEU A 117 0.536 -0.955 -1.858 1.00 0.00 N ATOM 1791 CA LEU A 117 1.719 -1.668 -1.405 1.00 0.00 C ATOM 1792 C LEU A 117 1.473 -3.174 -1.512 1.00 0.00 C ATOM 1793 O LEU A 117 0.556 -3.704 -0.886 1.00 0.00 O ATOM 1794 CB LEU A 117 2.117 -1.208 -0.001 1.00 0.00 C ATOM 1795 CG LEU A 117 3.619 -1.096 0.268 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.344 -2.385 -0.123 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.210 0.129 -0.432 1.00 0.00 C ATOM 0 H LEU A 117 -0.342 -1.457 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 117 2.571 -1.437 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.662 -0.235 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.689 -1.903 0.722 1.00 0.00 H new ATOM 0 HG LEU A 117 3.765 -0.957 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.410 -2.278 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.946 -3.217 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.193 -2.580 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.279 0.186 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.053 0.045 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.720 1.030 -0.063 1.00 0.00 H new ATOM 1809 N ILE A 118 2.309 -3.823 -2.310 1.00 0.00 N ATOM 1810 CA ILE A 118 2.194 -5.258 -2.507 1.00 0.00 C ATOM 1811 C ILE A 118 2.929 -5.983 -1.378 1.00 0.00 C ATOM 1812 O ILE A 118 3.968 -5.521 -0.911 1.00 0.00 O ATOM 1813 CB ILE A 118 2.678 -5.647 -3.906 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.770 -7.167 -4.051 1.00 0.00 C ATOM 1815 CG2 ILE A 118 4.003 -4.958 -4.239 1.00 0.00 C ATOM 1816 CD1 ILE A 118 2.977 -7.567 -5.513 1.00 0.00 C ATOM 0 H ILE A 118 3.069 -3.381 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 118 1.150 -5.567 -2.459 1.00 0.00 H new ATOM 0 HB ILE A 118 1.943 -5.298 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.595 -7.544 -3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.859 -7.628 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.325 -5.251 -5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.870 -3.877 -4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.760 -5.254 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.039 -8.653 -5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.138 -7.209 -6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.901 -7.124 -5.884 1.00 0.00 H new ATOM 1828 N ALA A 119 2.359 -7.109 -0.973 1.00 0.00 N ATOM 1829 CA ALA A 119 2.947 -7.903 0.093 1.00 0.00 C ATOM 1830 C ALA A 119 4.302 -8.445 -0.369 1.00 0.00 C ATOM 1831 O ALA A 119 5.302 -8.305 0.334 1.00 0.00 O ATOM 1832 CB ALA A 119 1.979 -9.018 0.492 1.00 0.00 C ATOM 0 H ALA A 119 1.497 -7.490 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 119 3.121 -7.290 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.420 -9.614 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.043 -8.580 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.783 -9.656 -0.370 1.00 0.00 H new ATOM 1838 N ASP A 120 4.290 -9.051 -1.546 1.00 0.00 N ATOM 1839 CA ASP A 120 5.506 -9.615 -2.109 1.00 0.00 C ATOM 1840 C ASP A 120 6.672 -8.657 -1.855 1.00 0.00 C ATOM 1841 O ASP A 120 7.583 -8.972 -1.091 1.00 0.00 O ATOM 1842 CB ASP A 120 5.374 -9.808 -3.621 1.00 0.00 C ATOM 1843 CG ASP A 120 5.435 -11.261 -4.095 1.00 0.00 C ATOM 1844 OD1 ASP A 120 5.384 -12.148 -3.215 1.00 0.00 O ATOM 1845 OD2 ASP A 120 5.531 -11.453 -5.327 1.00 0.00 O ATOM 0 H ASP A 120 3.459 -9.164 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 120 5.681 -10.581 -1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.428 -9.375 -3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.168 -9.247 -4.114 1.00 0.00 H new ATOM 1850 N GLU A 121 6.605 -7.507 -2.510 1.00 0.00 N ATOM 1851 CA GLU A 121 7.644 -6.502 -2.364 1.00 0.00 C ATOM 1852 C GLU A 121 7.938 -6.253 -0.883 1.00 0.00 C ATOM 1853 O GLU A 121 9.097 -6.129 -0.489 1.00 0.00 O ATOM 1854 CB GLU A 121 7.253 -5.203 -3.071 1.00 0.00 C ATOM 1855 CG GLU A 121 7.056 -5.433 -4.571 1.00 0.00 C ATOM 1856 CD GLU A 121 8.391 -5.371 -5.315 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.207 -6.292 -5.096 1.00 0.00 O ATOM 1858 OE2 GLU A 121 8.566 -4.403 -6.087 1.00 0.00 O ATOM 0 H GLU A 121 5.848 -7.249 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 121 8.552 -6.876 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.334 -4.810 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.027 -4.452 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.589 -6.404 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.377 -4.681 -4.972 1.00 0.00 H new ATOM 1865 N LEU A 122 6.869 -6.187 -0.104 1.00 0.00 N ATOM 1866 CA LEU A 122 6.998 -5.955 1.325 1.00 0.00 C ATOM 1867 C LEU A 122 7.824 -7.082 1.948 1.00 0.00 C ATOM 1868 O LEU A 122 8.911 -6.843 2.472 1.00 0.00 O ATOM 1869 CB LEU A 122 5.620 -5.777 1.965 1.00 0.00 C ATOM 1870 CG LEU A 122 5.526 -4.729 3.076 1.00 0.00 C ATOM 1871 CD1 LEU A 122 4.083 -4.563 3.554 1.00 0.00 C ATOM 1872 CD2 LEU A 122 6.476 -5.065 4.228 1.00 0.00 C ATOM 0 H LEU A 122 5.910 -6.290 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 122 7.534 -5.025 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.909 -5.512 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.303 -6.738 2.371 1.00 0.00 H new ATOM 0 HG LEU A 122 5.841 -3.769 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.045 -3.812 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.458 -4.244 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.716 -5.514 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 122 6.390 -4.305 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.215 -6.039 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.501 -5.091 3.858 1.00 0.00 H new ATOM 1884 N LYS A 123 7.277 -8.287 1.869 1.00 0.00 N ATOM 1885 CA LYS A 123 7.950 -9.451 2.419 1.00 0.00 C ATOM 1886 C LYS A 123 9.414 -9.447 1.972 1.00 0.00 C ATOM 1887 O LYS A 123 10.318 -9.590 2.794 1.00 0.00 O ATOM 1888 CB LYS A 123 7.198 -10.730 2.047 1.00 0.00 C ATOM 1889 CG LYS A 123 7.412 -11.819 3.101 1.00 0.00 C ATOM 1890 CD LYS A 123 6.076 -12.400 3.568 1.00 0.00 C ATOM 1891 CE LYS A 123 5.793 -13.740 2.886 1.00 0.00 C ATOM 1892 NZ LYS A 123 5.611 -14.807 3.895 1.00 0.00 N ATOM 0 H LYS A 123 6.376 -8.482 1.433 1.00 0.00 H new ATOM 0 HA LYS A 123 7.948 -9.413 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.134 -10.515 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.539 -11.087 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.033 -12.613 2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.950 -11.404 3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.092 -12.534 4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.272 -11.698 3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.898 -13.659 2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.617 -13.997 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 4.986 -15.544 3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 6.534 -15.224 4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 5.185 -14.404 4.754 1.00 0.00 H new ATOM 1906 N PHE A 124 9.602 -9.282 0.671 1.00 0.00 N ATOM 1907 CA PHE A 124 10.940 -9.257 0.105 1.00 0.00 C ATOM 1908 C PHE A 124 11.849 -8.308 0.889 1.00 0.00 C ATOM 1909 O PHE A 124 12.844 -8.736 1.471 1.00 0.00 O ATOM 1910 CB PHE A 124 10.809 -8.748 -1.332 1.00 0.00 C ATOM 1911 CG PHE A 124 12.147 -8.534 -2.041 1.00 0.00 C ATOM 1912 CD1 PHE A 124 12.852 -7.390 -1.831 1.00 0.00 C ATOM 1913 CD2 PHE A 124 12.633 -9.488 -2.880 1.00 0.00 C ATOM 1914 CE1 PHE A 124 14.094 -7.190 -2.489 1.00 0.00 C ATOM 1915 CE2 PHE A 124 13.876 -9.288 -3.538 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.580 -8.144 -3.328 1.00 0.00 C ATOM 0 H PHE A 124 8.850 -9.164 -0.008 1.00 0.00 H new ATOM 0 HA PHE A 124 11.379 -10.254 0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.215 -9.460 -1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.259 -7.807 -1.324 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.467 -6.633 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.074 -10.397 -3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 124 14.653 -6.281 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.262 -10.045 -4.205 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.525 -7.993 -3.828 1.00 0.00 H new ATOM 1926 N VAL A 125 11.474 -7.037 0.878 1.00 0.00 N ATOM 1927 CA VAL A 125 12.243 -6.024 1.580 1.00 0.00 C ATOM 1928 C VAL A 125 12.234 -6.331 3.079 1.00 0.00 C ATOM 1929 O VAL A 125 13.175 -5.985 3.792 1.00 0.00 O ATOM 1930 CB VAL A 125 11.699 -4.633 1.251 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.603 -4.226 2.238 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.824 -3.596 1.223 1.00 0.00 C ATOM 0 H VAL A 125 10.648 -6.686 0.394 1.00 0.00 H new ATOM 0 HA VAL A 125 13.282 -6.037 1.252 1.00 0.00 H new ATOM 0 HB VAL A 125 11.256 -4.673 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.233 -3.233 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.783 -4.943 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 125 11.011 -4.212 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 125 12.410 -2.616 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 125 13.309 -3.559 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.556 -3.873 0.464 1.00 0.00 H new ATOM 1942 N ALA A 126 11.162 -6.977 3.512 1.00 0.00 N ATOM 1943 CA ALA A 126 11.018 -7.335 4.913 1.00 0.00 C ATOM 1944 C ALA A 126 12.085 -8.367 5.283 1.00 0.00 C ATOM 1945 O ALA A 126 12.772 -8.220 6.293 1.00 0.00 O ATOM 1946 CB ALA A 126 9.599 -7.847 5.166 1.00 0.00 C ATOM 0 H ALA A 126 10.384 -7.262 2.917 1.00 0.00 H new ATOM 0 HA ALA A 126 11.168 -6.463 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.491 -8.116 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.881 -7.067 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.413 -8.724 4.546 1.00 0.00 H new ATOM 1952 N SER A 127 12.191 -9.388 4.446 1.00 0.00 N ATOM 1953 CA SER A 127 13.163 -10.445 4.673 1.00 0.00 C ATOM 1954 C SER A 127 14.567 -9.947 4.325 1.00 0.00 C ATOM 1955 O SER A 127 15.501 -10.114 5.108 1.00 0.00 O ATOM 1956 CB SER A 127 12.823 -11.691 3.853 1.00 0.00 C ATOM 1957 OG SER A 127 13.085 -12.892 4.575 1.00 0.00 O ATOM 0 H SER A 127 11.620 -9.506 3.609 1.00 0.00 H new ATOM 0 HA SER A 127 13.132 -10.718 5.728 1.00 0.00 H new ATOM 0 HB2 SER A 127 11.771 -11.662 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.404 -11.688 2.931 1.00 0.00 H new ATOM 0 HG SER A 127 12.854 -13.665 4.019 1.00 0.00 H new