USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 669 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 21 CYS SG : rot 90:sc= -3.44! USER MOD Set 1.2: A 51 TYR OH : rot 51:sc= 0.0377 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.514 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0913 USER MOD Single : A 35 GLN : amide:sc= -0.0271 K(o=-0.027,f=-3.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.18) USER MOD Single : A 41 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.62) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.13 F(o=-0.71,f=-0.13) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 0.00443 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0073 X(o=-0.0073,f=-0.44) USER MOD Single : A 95 LYS NZ :NH3+ -132:sc= -0.0375 (180deg=-0.616) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0739 K(o=-0.074,f=-0.96) USER MOD Single : A 100 GLN : amide:sc= -0.313 K(o=-0.31,f=-2.2!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.2!) USER MOD Single : A 108 ASN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 109 HIS :FLIP no HD1:sc= -0.854 F(o=-2.8!,f=-0.85) USER MOD Single : A 111 GLN : amide:sc= -0.0873 X(o=-0.087,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -169:sc= 0 (180deg=-0.113) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 13 -59.632 -4.010 6.357 1.00 0.00 N ATOM 141 CA VAL A 13 -59.393 -2.620 6.708 1.00 0.00 C ATOM 142 C VAL A 13 -59.935 -2.353 8.113 1.00 0.00 C ATOM 143 O VAL A 13 -60.895 -2.990 8.544 1.00 0.00 O ATOM 144 CB VAL A 13 -60.003 -1.701 5.647 1.00 0.00 C ATOM 145 CG1 VAL A 13 -60.187 -0.283 6.192 1.00 0.00 C ATOM 146 CG2 VAL A 13 -59.155 -1.694 4.374 1.00 0.00 C ATOM 0 HA VAL A 13 -58.324 -2.409 6.727 1.00 0.00 H new ATOM 0 HB VAL A 13 -60.988 -2.092 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -60.622 0.350 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -60.851 -0.309 7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -59.219 0.121 6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -59.611 -1.033 3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -58.151 -1.339 4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -59.098 -2.704 3.969 1.00 0.00 H new ATOM 156 N GLU A 14 -59.296 -1.409 8.790 1.00 0.00 N ATOM 157 CA GLU A 14 -59.702 -1.050 10.138 1.00 0.00 C ATOM 158 C GLU A 14 -59.972 0.453 10.228 1.00 0.00 C ATOM 159 O GLU A 14 -59.195 1.259 9.718 1.00 0.00 O ATOM 160 CB GLU A 14 -58.648 -1.480 11.160 1.00 0.00 C ATOM 161 CG GLU A 14 -58.759 -2.975 11.467 1.00 0.00 C ATOM 162 CD GLU A 14 -58.783 -3.225 12.977 1.00 0.00 C ATOM 163 OE1 GLU A 14 -59.738 -2.736 13.618 1.00 0.00 O ATOM 164 OE2 GLU A 14 -57.845 -3.899 13.455 1.00 0.00 O ATOM 0 H GLU A 14 -58.500 -0.882 8.430 1.00 0.00 H new ATOM 0 HA GLU A 14 -60.625 -1.580 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -57.652 -1.257 10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -58.772 -0.906 12.079 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -59.665 -3.377 11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -57.918 -3.505 11.020 1.00 0.00 H new ATOM 171 N ILE A 15 -61.076 0.785 10.881 1.00 0.00 N ATOM 172 CA ILE A 15 -61.458 2.177 11.045 1.00 0.00 C ATOM 173 C ILE A 15 -60.688 2.778 12.222 1.00 0.00 C ATOM 174 O ILE A 15 -60.225 2.053 13.101 1.00 0.00 O ATOM 175 CB ILE A 15 -62.978 2.304 11.175 1.00 0.00 C ATOM 176 CG1 ILE A 15 -63.691 1.370 10.196 1.00 0.00 C ATOM 177 CG2 ILE A 15 -63.423 3.758 11.007 1.00 0.00 C ATOM 178 CD1 ILE A 15 -63.309 1.694 8.750 1.00 0.00 C ATOM 0 H ILE A 15 -61.718 0.114 11.303 1.00 0.00 H new ATOM 0 HA ILE A 15 -61.188 2.753 10.160 1.00 0.00 H new ATOM 0 HB ILE A 15 -63.262 1.995 12.181 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -63.432 0.335 10.421 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -64.770 1.463 10.320 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -64.507 3.820 11.104 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -62.954 4.373 11.775 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -63.125 4.118 10.022 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -63.830 1.015 8.075 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -63.592 2.721 8.521 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -62.233 1.577 8.623 1.00 0.00 H new ATOM 190 N GLY A 16 -60.575 4.098 12.202 1.00 0.00 N ATOM 191 CA GLY A 16 -59.869 4.805 13.258 1.00 0.00 C ATOM 192 C GLY A 16 -58.387 4.963 12.915 1.00 0.00 C ATOM 193 O GLY A 16 -57.702 5.815 13.480 1.00 0.00 O ATOM 0 H GLY A 16 -60.960 4.697 11.472 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -60.318 5.787 13.407 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -59.973 4.261 14.197 1.00 0.00 H new ATOM 197 N GLU A 17 -57.934 4.130 11.990 1.00 0.00 N ATOM 198 CA GLU A 17 -56.545 4.166 11.565 1.00 0.00 C ATOM 199 C GLU A 17 -56.421 4.881 10.218 1.00 0.00 C ATOM 200 O GLU A 17 -57.375 4.924 9.443 1.00 0.00 O ATOM 201 CB GLU A 17 -55.956 2.756 11.494 1.00 0.00 C ATOM 202 CG GLU A 17 -54.680 2.737 10.648 1.00 0.00 C ATOM 203 CD GLU A 17 -53.530 3.438 11.374 1.00 0.00 C ATOM 204 OE1 GLU A 17 -53.436 3.247 12.606 1.00 0.00 O ATOM 205 OE2 GLU A 17 -52.771 4.149 10.681 1.00 0.00 O ATOM 0 H GLU A 17 -58.505 3.426 11.523 1.00 0.00 H new ATOM 0 HA GLU A 17 -55.973 4.725 12.305 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -55.735 2.399 12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -56.690 2.072 11.067 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -54.401 1.707 10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -54.865 3.229 9.693 1.00 0.00 H new ATOM 212 N THR A 18 -55.236 5.425 9.979 1.00 0.00 N ATOM 213 CA THR A 18 -54.975 6.136 8.739 1.00 0.00 C ATOM 214 C THR A 18 -54.167 5.258 7.781 1.00 0.00 C ATOM 215 O THR A 18 -53.247 4.558 8.201 1.00 0.00 O ATOM 216 CB THR A 18 -54.280 7.454 9.087 1.00 0.00 C ATOM 217 OG1 THR A 18 -55.318 8.256 9.644 1.00 0.00 O ATOM 218 CG2 THR A 18 -53.837 8.228 7.844 1.00 0.00 C ATOM 0 H THR A 18 -54.446 5.387 10.623 1.00 0.00 H new ATOM 0 HA THR A 18 -55.901 6.369 8.214 1.00 0.00 H new ATOM 0 HB THR A 18 -53.413 7.253 9.717 1.00 0.00 H new ATOM 0 HG1 THR A 18 -54.955 9.130 9.900 1.00 0.00 H new ATOM 0 HG21 THR A 18 -53.350 9.155 8.147 1.00 0.00 H new ATOM 0 HG22 THR A 18 -53.138 7.622 7.268 1.00 0.00 H new ATOM 0 HG23 THR A 18 -54.707 8.460 7.230 1.00 0.00 H new ATOM 226 N TYR A 19 -54.542 5.323 6.512 1.00 0.00 N ATOM 227 CA TYR A 19 -53.864 4.542 5.491 1.00 0.00 C ATOM 228 C TYR A 19 -53.451 5.424 4.310 1.00 0.00 C ATOM 229 O TYR A 19 -53.939 6.544 4.168 1.00 0.00 O ATOM 230 CB TYR A 19 -54.880 3.506 5.008 1.00 0.00 C ATOM 231 CG TYR A 19 -55.293 2.493 6.078 1.00 0.00 C ATOM 232 CD1 TYR A 19 -55.977 2.915 7.200 1.00 0.00 C ATOM 233 CD2 TYR A 19 -54.981 1.158 5.921 1.00 0.00 C ATOM 234 CE1 TYR A 19 -56.366 1.962 8.207 1.00 0.00 C ATOM 235 CE2 TYR A 19 -55.370 0.205 6.928 1.00 0.00 C ATOM 236 CZ TYR A 19 -56.043 0.654 8.021 1.00 0.00 C ATOM 237 OH TYR A 19 -56.410 -0.246 8.972 1.00 0.00 O ATOM 0 H TYR A 19 -55.306 5.904 6.168 1.00 0.00 H new ATOM 0 HA TYR A 19 -52.961 4.084 5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -55.770 4.024 4.650 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -54.460 2.969 4.157 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -56.221 3.960 7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -54.445 0.828 5.043 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -56.902 2.279 9.090 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -55.133 -0.843 6.818 1.00 0.00 H new ATOM 0 HH TYR A 19 -56.114 -1.142 8.706 1.00 0.00 H new ATOM 247 N LEU A 20 -52.558 4.885 3.494 1.00 0.00 N ATOM 248 CA LEU A 20 -52.075 5.609 2.330 1.00 0.00 C ATOM 249 C LEU A 20 -53.053 5.413 1.171 1.00 0.00 C ATOM 250 O LEU A 20 -53.255 4.292 0.706 1.00 0.00 O ATOM 251 CB LEU A 20 -50.639 5.195 2.000 1.00 0.00 C ATOM 252 CG LEU A 20 -49.623 5.332 3.136 1.00 0.00 C ATOM 253 CD1 LEU A 20 -49.522 6.783 3.609 1.00 0.00 C ATOM 254 CD2 LEU A 20 -49.953 4.376 4.284 1.00 0.00 C ATOM 0 H LEU A 20 -52.156 3.955 3.615 1.00 0.00 H new ATOM 0 HA LEU A 20 -52.035 6.679 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -50.648 4.156 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -50.294 5.793 1.157 1.00 0.00 H new ATOM 0 HG LEU A 20 -48.642 5.050 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -48.793 6.853 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -49.205 7.415 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -50.495 7.117 3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -49.216 4.493 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -50.945 4.604 4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -49.933 3.349 3.919 1.00 0.00 H new ATOM 266 N CYS A 21 -53.636 6.521 0.737 1.00 0.00 N ATOM 267 CA CYS A 21 -54.588 6.485 -0.360 1.00 0.00 C ATOM 268 C CYS A 21 -53.883 6.978 -1.625 1.00 0.00 C ATOM 269 O CYS A 21 -53.167 7.977 -1.592 1.00 0.00 O ATOM 270 CB CYS A 21 -55.841 7.307 -0.048 1.00 0.00 C ATOM 271 SG CYS A 21 -57.179 6.876 -1.220 1.00 0.00 S ATOM 0 H CYS A 21 -53.467 7.449 1.125 1.00 0.00 H new ATOM 0 HA CYS A 21 -54.932 5.462 -0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -56.166 7.116 0.975 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -55.615 8.371 -0.117 1.00 0.00 H new ATOM 0 HG CYS A 21 -57.881 5.895 -0.736 1.00 0.00 H new ATOM 277 N ARG A 22 -54.111 6.253 -2.711 1.00 0.00 N ATOM 278 CA ARG A 22 -53.506 6.604 -3.985 1.00 0.00 C ATOM 279 C ARG A 22 -54.004 7.975 -4.449 1.00 0.00 C ATOM 280 O ARG A 22 -55.171 8.313 -4.257 1.00 0.00 O ATOM 281 CB ARG A 22 -53.833 5.561 -5.055 1.00 0.00 C ATOM 282 CG ARG A 22 -52.662 5.384 -6.024 1.00 0.00 C ATOM 283 CD ARG A 22 -52.369 3.901 -6.264 1.00 0.00 C ATOM 284 NE ARG A 22 -52.154 3.656 -7.708 1.00 0.00 N ATOM 285 CZ ARG A 22 -51.137 4.168 -8.414 1.00 0.00 C ATOM 286 NH1 ARG A 22 -50.235 4.956 -7.814 1.00 0.00 N ATOM 287 NH2 ARG A 22 -51.021 3.891 -9.720 1.00 0.00 N ATOM 0 H ARG A 22 -54.706 5.425 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 22 -52.426 6.635 -3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -54.064 4.608 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -54.723 5.866 -5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -52.892 5.871 -6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -51.775 5.873 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -51.486 3.600 -5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -53.200 3.294 -5.903 1.00 0.00 H new ATOM 0 HE ARG A 22 -52.822 3.060 -8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -50.323 5.166 -6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -49.461 5.346 -8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -51.707 3.290 -10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -50.247 4.281 -10.257 1.00 0.00 H new ATOM 376 N TRP A 28 -48.583 8.721 -3.097 1.00 0.00 N ATOM 377 CA TRP A 28 -49.675 8.370 -2.206 1.00 0.00 C ATOM 378 C TRP A 28 -49.797 9.472 -1.151 1.00 0.00 C ATOM 379 O TRP A 28 -48.835 10.190 -0.885 1.00 0.00 O ATOM 380 CB TRP A 28 -49.463 6.982 -1.599 1.00 0.00 C ATOM 381 CG TRP A 28 -49.687 5.832 -2.582 1.00 0.00 C ATOM 382 CD1 TRP A 28 -49.207 5.706 -3.827 1.00 0.00 C ATOM 383 CD2 TRP A 28 -50.471 4.642 -2.350 1.00 0.00 C ATOM 384 NE1 TRP A 28 -49.623 4.527 -4.413 1.00 0.00 N ATOM 385 CE2 TRP A 28 -50.416 3.860 -3.486 1.00 0.00 C ATOM 386 CE3 TRP A 28 -51.202 4.241 -1.219 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -51.071 2.628 -3.600 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -51.851 3.007 -1.349 1.00 0.00 C ATOM 389 CH2 TRP A 28 -51.806 2.208 -2.485 1.00 0.00 C ATOM 0 HA TRP A 28 -50.615 8.307 -2.754 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -48.448 6.919 -1.208 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -50.139 6.860 -0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -48.574 6.435 -4.311 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -49.391 4.205 -5.353 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -51.259 4.837 -0.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -51.012 2.034 -4.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -52.427 2.651 -0.507 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -52.336 1.267 -2.508 1.00 0.00 H new ATOM 400 N HIS A 29 -50.988 9.570 -0.579 1.00 0.00 N ATOM 401 CA HIS A 29 -51.249 10.572 0.440 1.00 0.00 C ATOM 402 C HIS A 29 -52.024 9.938 1.596 1.00 0.00 C ATOM 403 O HIS A 29 -52.887 9.089 1.378 1.00 0.00 O ATOM 404 CB HIS A 29 -51.964 11.784 -0.159 1.00 0.00 C ATOM 405 CG HIS A 29 -51.048 12.738 -0.889 1.00 0.00 C ATOM 406 ND1 HIS A 29 -50.073 13.481 -0.247 1.00 0.00 N ATOM 407 CD2 HIS A 29 -50.970 13.062 -2.212 1.00 0.00 C ATOM 408 CE1 HIS A 29 -49.443 14.215 -1.151 1.00 0.00 C ATOM 409 NE2 HIS A 29 -50.000 13.955 -2.368 1.00 0.00 N ATOM 0 H HIS A 29 -51.783 8.972 -0.802 1.00 0.00 H new ATOM 0 HA HIS A 29 -50.305 10.942 0.840 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -52.733 11.435 -0.848 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -52.473 12.324 0.639 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -51.592 12.660 -2.999 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -48.630 14.900 -0.958 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -49.718 14.377 -3.253 1.00 0.00 H new ATOM 417 N SER A 30 -51.690 10.375 2.802 1.00 0.00 N ATOM 418 CA SER A 30 -52.344 9.861 3.993 1.00 0.00 C ATOM 419 C SER A 30 -53.834 10.205 3.961 1.00 0.00 C ATOM 420 O SER A 30 -54.238 11.171 3.314 1.00 0.00 O ATOM 421 CB SER A 30 -51.697 10.420 5.261 1.00 0.00 C ATOM 422 OG SER A 30 -51.086 11.687 5.035 1.00 0.00 O ATOM 0 H SER A 30 -50.974 11.080 2.979 1.00 0.00 H new ATOM 0 HA SER A 30 -52.228 8.777 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 30 -52.452 10.516 6.041 1.00 0.00 H new ATOM 0 HB3 SER A 30 -50.949 9.717 5.626 1.00 0.00 H new ATOM 0 HG SER A 30 -50.686 12.011 5.869 1.00 0.00 H new ATOM 428 N ALA A 31 -54.611 9.397 4.666 1.00 0.00 N ATOM 429 CA ALA A 31 -56.048 9.604 4.727 1.00 0.00 C ATOM 430 C ALA A 31 -56.639 8.727 5.833 1.00 0.00 C ATOM 431 O ALA A 31 -56.527 7.503 5.786 1.00 0.00 O ATOM 432 CB ALA A 31 -56.665 9.311 3.358 1.00 0.00 C ATOM 0 H ALA A 31 -54.273 8.597 5.201 1.00 0.00 H new ATOM 0 HA ALA A 31 -56.276 10.641 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -57.743 9.466 3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -56.233 9.980 2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -56.459 8.277 3.080 1.00 0.00 H new ATOM 438 N GLU A 32 -57.257 9.388 6.801 1.00 0.00 N ATOM 439 CA GLU A 32 -57.866 8.683 7.917 1.00 0.00 C ATOM 440 C GLU A 32 -59.152 7.987 7.467 1.00 0.00 C ATOM 441 O GLU A 32 -59.995 8.597 6.811 1.00 0.00 O ATOM 442 CB GLU A 32 -58.137 9.635 9.084 1.00 0.00 C ATOM 443 CG GLU A 32 -59.578 10.147 9.050 1.00 0.00 C ATOM 444 CD GLU A 32 -59.787 11.264 10.074 1.00 0.00 C ATOM 445 OE1 GLU A 32 -60.107 10.920 11.233 1.00 0.00 O ATOM 446 OE2 GLU A 32 -59.623 12.437 9.675 1.00 0.00 O ATOM 0 H GLU A 32 -57.349 10.403 6.836 1.00 0.00 H new ATOM 0 HA GLU A 32 -57.168 7.922 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -57.952 9.122 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -57.447 10.477 9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -59.813 10.515 8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -60.264 9.326 9.257 1.00 0.00 H new ATOM 453 N VAL A 33 -59.261 6.720 7.837 1.00 0.00 N ATOM 454 CA VAL A 33 -60.430 5.934 7.479 1.00 0.00 C ATOM 455 C VAL A 33 -61.586 6.292 8.417 1.00 0.00 C ATOM 456 O VAL A 33 -61.609 5.864 9.570 1.00 0.00 O ATOM 457 CB VAL A 33 -60.085 4.444 7.497 1.00 0.00 C ATOM 458 CG1 VAL A 33 -61.325 3.591 7.222 1.00 0.00 C ATOM 459 CG2 VAL A 33 -58.969 4.128 6.499 1.00 0.00 C ATOM 0 H VAL A 33 -58.559 6.218 8.381 1.00 0.00 H new ATOM 0 HA VAL A 33 -60.751 6.167 6.464 1.00 0.00 H new ATOM 0 HB VAL A 33 -59.722 4.196 8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -61.052 2.536 7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -62.077 3.785 7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -61.731 3.844 6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -58.743 3.062 6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -59.292 4.400 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -58.076 4.697 6.759 1.00 0.00 H new ATOM 469 N ILE A 34 -62.516 7.072 7.887 1.00 0.00 N ATOM 470 CA ILE A 34 -63.671 7.491 8.662 1.00 0.00 C ATOM 471 C ILE A 34 -64.531 6.269 8.990 1.00 0.00 C ATOM 472 O ILE A 34 -64.728 5.940 10.158 1.00 0.00 O ATOM 473 CB ILE A 34 -64.432 8.601 7.933 1.00 0.00 C ATOM 474 CG1 ILE A 34 -63.489 9.734 7.524 1.00 0.00 C ATOM 475 CG2 ILE A 34 -65.605 9.107 8.775 1.00 0.00 C ATOM 476 CD1 ILE A 34 -63.426 10.813 8.606 1.00 0.00 C ATOM 0 H ILE A 34 -62.493 7.425 6.930 1.00 0.00 H new ATOM 0 HA ILE A 34 -63.356 7.923 9.612 1.00 0.00 H new ATOM 0 HB ILE A 34 -64.850 8.184 7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -62.491 9.334 7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -63.829 10.174 6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -66.128 9.895 8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -66.292 8.285 8.973 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -65.231 9.502 9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -62.749 11.606 8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -64.421 11.228 8.765 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -63.063 10.375 9.536 1.00 0.00 H new ATOM 488 N GLN A 35 -65.020 5.630 7.937 1.00 0.00 N ATOM 489 CA GLN A 35 -65.855 4.452 8.098 1.00 0.00 C ATOM 490 C GLN A 35 -65.735 3.545 6.871 1.00 0.00 C ATOM 491 O GLN A 35 -64.916 3.794 5.988 1.00 0.00 O ATOM 492 CB GLN A 35 -67.312 4.842 8.351 1.00 0.00 C ATOM 493 CG GLN A 35 -67.634 4.820 9.847 1.00 0.00 C ATOM 494 CD GLN A 35 -67.928 3.396 10.323 1.00 0.00 C ATOM 495 OE1 GLN A 35 -67.312 2.432 9.899 1.00 0.00 O ATOM 496 NE2 GLN A 35 -68.902 3.317 11.225 1.00 0.00 N ATOM 0 H GLN A 35 -64.854 5.906 6.969 1.00 0.00 H new ATOM 0 HA GLN A 35 -65.505 3.900 8.970 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -67.501 5.838 7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -67.973 4.155 7.823 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -66.795 5.229 10.409 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -68.494 5.459 10.047 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -69.378 4.164 11.538 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -69.173 2.410 11.604 1.00 0.00 H new ATOM 505 N SER A 36 -66.565 2.512 6.855 1.00 0.00 N ATOM 506 CA SER A 36 -66.563 1.567 5.752 1.00 0.00 C ATOM 507 C SER A 36 -67.999 1.212 5.364 1.00 0.00 C ATOM 508 O SER A 36 -68.919 1.370 6.165 1.00 0.00 O ATOM 509 CB SER A 36 -65.782 0.302 6.112 1.00 0.00 C ATOM 510 OG SER A 36 -66.413 -0.436 7.154 1.00 0.00 O ATOM 0 H SER A 36 -67.244 2.309 7.589 1.00 0.00 H new ATOM 0 HA SER A 36 -66.069 2.036 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 36 -65.686 -0.329 5.228 1.00 0.00 H new ATOM 0 HB3 SER A 36 -64.773 0.574 6.421 1.00 0.00 H new ATOM 0 HG SER A 36 -65.885 -1.237 7.354 1.00 0.00 H new ATOM 516 N ARG A 37 -68.147 0.738 4.135 1.00 0.00 N ATOM 517 CA ARG A 37 -69.456 0.359 3.631 1.00 0.00 C ATOM 518 C ARG A 37 -69.312 -0.591 2.441 1.00 0.00 C ATOM 519 O ARG A 37 -68.212 -0.785 1.927 1.00 0.00 O ATOM 520 CB ARG A 37 -70.257 1.589 3.199 1.00 0.00 C ATOM 521 CG ARG A 37 -69.641 2.236 1.957 1.00 0.00 C ATOM 522 CD ARG A 37 -70.483 3.422 1.482 1.00 0.00 C ATOM 523 NE ARG A 37 -71.347 3.010 0.353 1.00 0.00 N ATOM 524 CZ ARG A 37 -72.292 3.787 -0.192 1.00 0.00 C ATOM 525 NH1 ARG A 37 -72.500 5.022 0.284 1.00 0.00 N ATOM 526 NH2 ARG A 37 -73.029 3.330 -1.214 1.00 0.00 N ATOM 0 H ARG A 37 -67.381 0.608 3.474 1.00 0.00 H new ATOM 0 HA ARG A 37 -69.989 -0.143 4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -71.287 1.301 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -70.287 2.313 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -68.628 2.571 2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -69.563 1.498 1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -71.096 3.795 2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -69.832 4.240 1.173 1.00 0.00 H new ATOM 0 HE ARG A 37 -71.214 2.076 -0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -71.939 5.370 1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -73.220 5.614 -0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -72.870 2.390 -1.577 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -73.749 3.922 -1.629 1.00 0.00 H new ATOM 540 N VAL A 38 -70.439 -1.159 2.038 1.00 0.00 N ATOM 541 CA VAL A 38 -70.452 -2.085 0.918 1.00 0.00 C ATOM 542 C VAL A 38 -71.372 -1.541 -0.176 1.00 0.00 C ATOM 543 O VAL A 38 -72.405 -0.940 0.117 1.00 0.00 O ATOM 544 CB VAL A 38 -70.854 -3.481 1.398 1.00 0.00 C ATOM 545 CG1 VAL A 38 -71.448 -4.304 0.253 1.00 0.00 C ATOM 546 CG2 VAL A 38 -69.667 -4.204 2.036 1.00 0.00 C ATOM 0 H VAL A 38 -71.350 -0.996 2.467 1.00 0.00 H new ATOM 0 HA VAL A 38 -69.455 -2.179 0.488 1.00 0.00 H new ATOM 0 HB VAL A 38 -71.624 -3.365 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -71.725 -5.292 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -72.333 -3.800 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -70.710 -4.407 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -69.980 -5.194 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -68.866 -4.304 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -69.308 -3.631 2.891 1.00 0.00 H new ATOM 556 N ASN A 39 -70.965 -1.771 -1.416 1.00 0.00 N ATOM 557 CA ASN A 39 -71.740 -1.312 -2.556 1.00 0.00 C ATOM 558 C ASN A 39 -72.419 -2.510 -3.222 1.00 0.00 C ATOM 559 O ASN A 39 -71.748 -3.382 -3.771 1.00 0.00 O ATOM 560 CB ASN A 39 -70.843 -0.639 -3.597 1.00 0.00 C ATOM 561 CG ASN A 39 -70.785 0.874 -3.374 1.00 0.00 C ATOM 562 OD1 ASN A 39 -70.641 1.359 -2.264 1.00 0.00 O ATOM 563 ND2 ASN A 39 -70.904 1.590 -4.489 1.00 0.00 N ATOM 0 H ASN A 39 -70.108 -2.269 -1.656 1.00 0.00 H new ATOM 0 HA ASN A 39 -72.476 -0.594 -2.195 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -69.838 -1.057 -3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -71.221 -0.849 -4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -70.877 2.609 -4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -71.022 1.120 -5.387 1.00 0.00 H new ATOM 570 N ASP A 40 -73.742 -2.515 -3.150 1.00 0.00 N ATOM 571 CA ASP A 40 -74.520 -3.591 -3.739 1.00 0.00 C ATOM 572 C ASP A 40 -74.611 -3.381 -5.252 1.00 0.00 C ATOM 573 O ASP A 40 -74.235 -4.257 -6.028 1.00 0.00 O ATOM 574 CB ASP A 40 -75.943 -3.614 -3.178 1.00 0.00 C ATOM 575 CG ASP A 40 -76.145 -4.523 -1.964 1.00 0.00 C ATOM 576 OD1 ASP A 40 -75.656 -4.138 -0.880 1.00 0.00 O ATOM 577 OD2 ASP A 40 -76.784 -5.581 -2.147 1.00 0.00 O ATOM 0 H ASP A 40 -74.295 -1.790 -2.692 1.00 0.00 H new ATOM 0 HA ASP A 40 -74.025 -4.533 -3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -76.225 -2.598 -2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -76.624 -3.931 -3.968 1.00 0.00 H new ATOM 582 N GLN A 41 -75.113 -2.213 -5.625 1.00 0.00 N ATOM 583 CA GLN A 41 -75.259 -1.876 -7.031 1.00 0.00 C ATOM 584 C GLN A 41 -73.982 -2.227 -7.796 1.00 0.00 C ATOM 585 O GLN A 41 -74.033 -2.919 -8.812 1.00 0.00 O ATOM 586 CB GLN A 41 -75.614 -0.398 -7.206 1.00 0.00 C ATOM 587 CG GLN A 41 -77.040 -0.116 -6.728 1.00 0.00 C ATOM 588 CD GLN A 41 -78.061 -0.899 -7.556 1.00 0.00 C ATOM 589 OE1 GLN A 41 -77.953 -1.025 -8.765 1.00 0.00 O ATOM 590 NE2 GLN A 41 -79.055 -1.417 -6.840 1.00 0.00 N ATOM 0 H GLN A 41 -75.424 -1.488 -4.978 1.00 0.00 H new ATOM 0 HA GLN A 41 -76.079 -2.464 -7.443 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -74.910 0.217 -6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -75.516 -0.119 -8.255 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -77.135 -0.387 -5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -77.248 0.951 -6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -79.085 -1.274 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -79.787 -1.958 -7.300 1.00 0.00 H new ATOM 599 N GLU A 42 -72.866 -1.734 -7.279 1.00 0.00 N ATOM 600 CA GLU A 42 -71.577 -1.988 -7.901 1.00 0.00 C ATOM 601 C GLU A 42 -71.065 -3.376 -7.515 1.00 0.00 C ATOM 602 O GLU A 42 -70.545 -4.107 -8.357 1.00 0.00 O ATOM 603 CB GLU A 42 -70.564 -0.905 -7.525 1.00 0.00 C ATOM 604 CG GLU A 42 -70.416 0.123 -8.648 1.00 0.00 C ATOM 605 CD GLU A 42 -69.311 -0.287 -9.624 1.00 0.00 C ATOM 606 OE1 GLU A 42 -69.644 -1.016 -10.584 1.00 0.00 O ATOM 607 OE2 GLU A 42 -68.160 0.138 -9.389 1.00 0.00 O ATOM 0 H GLU A 42 -72.828 -1.160 -6.437 1.00 0.00 H new ATOM 0 HA GLU A 42 -71.706 -1.959 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -70.883 -0.406 -6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -69.597 -1.363 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -71.361 0.221 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -70.187 1.100 -8.223 1.00 0.00 H new ATOM 614 N GLY A 43 -71.230 -3.699 -6.240 1.00 0.00 N ATOM 615 CA GLY A 43 -70.791 -4.987 -5.732 1.00 0.00 C ATOM 616 C GLY A 43 -69.311 -4.948 -5.344 1.00 0.00 C ATOM 617 O GLY A 43 -68.531 -5.797 -5.772 1.00 0.00 O ATOM 0 H GLY A 43 -71.662 -3.091 -5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -71.391 -5.264 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -70.952 -5.755 -6.489 1.00 0.00 H new ATOM 621 N ARG A 44 -68.970 -3.954 -4.537 1.00 0.00 N ATOM 622 CA ARG A 44 -67.598 -3.793 -4.087 1.00 0.00 C ATOM 623 C ARG A 44 -67.565 -3.093 -2.727 1.00 0.00 C ATOM 624 O ARG A 44 -68.587 -2.596 -2.255 1.00 0.00 O ATOM 625 CB ARG A 44 -66.780 -2.979 -5.092 1.00 0.00 C ATOM 626 CG ARG A 44 -66.496 -3.795 -6.355 1.00 0.00 C ATOM 627 CD ARG A 44 -65.307 -3.217 -7.124 1.00 0.00 C ATOM 628 NE ARG A 44 -65.554 -3.307 -8.581 1.00 0.00 N ATOM 629 CZ ARG A 44 -64.690 -2.891 -9.517 1.00 0.00 C ATOM 630 NH1 ARG A 44 -63.517 -2.354 -9.154 1.00 0.00 N ATOM 631 NH2 ARG A 44 -64.998 -3.013 -10.815 1.00 0.00 N ATOM 0 H ARG A 44 -69.620 -3.252 -4.183 1.00 0.00 H new ATOM 0 HA ARG A 44 -67.159 -4.787 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -67.321 -2.070 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -65.840 -2.669 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -66.290 -4.831 -6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -67.379 -3.802 -6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -65.149 -2.177 -6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -64.398 -3.761 -6.867 1.00 0.00 H new ATOM 0 HE ARG A 44 -66.437 -3.711 -8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -63.282 -2.262 -8.166 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -62.859 -2.037 -9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -65.890 -3.423 -11.091 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -64.340 -2.696 -11.527 1.00 0.00 H new ATOM 645 N GLU A 45 -66.379 -3.075 -2.135 1.00 0.00 N ATOM 646 CA GLU A 45 -66.199 -2.444 -0.839 1.00 0.00 C ATOM 647 C GLU A 45 -65.618 -1.039 -1.009 1.00 0.00 C ATOM 648 O GLU A 45 -65.051 -0.720 -2.052 1.00 0.00 O ATOM 649 CB GLU A 45 -65.312 -3.298 0.069 1.00 0.00 C ATOM 650 CG GLU A 45 -65.925 -4.683 0.288 1.00 0.00 C ATOM 651 CD GLU A 45 -64.882 -5.664 0.827 1.00 0.00 C ATOM 652 OE1 GLU A 45 -63.955 -5.989 0.054 1.00 0.00 O ATOM 653 OE2 GLU A 45 -65.035 -6.068 2.000 1.00 0.00 O ATOM 0 H GLU A 45 -65.534 -3.487 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 45 -67.175 -2.357 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -64.322 -3.401 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -65.180 -2.799 1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -66.757 -4.610 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -66.331 -5.058 -0.652 1.00 0.00 H new ATOM 660 N GLU A 46 -65.779 -0.236 0.033 1.00 0.00 N ATOM 661 CA GLU A 46 -65.278 1.127 0.013 1.00 0.00 C ATOM 662 C GLU A 46 -64.988 1.608 1.436 1.00 0.00 C ATOM 663 O GLU A 46 -65.360 0.948 2.406 1.00 0.00 O ATOM 664 CB GLU A 46 -66.261 2.063 -0.693 1.00 0.00 C ATOM 665 CG GLU A 46 -65.700 2.538 -2.034 1.00 0.00 C ATOM 666 CD GLU A 46 -66.696 2.283 -3.167 1.00 0.00 C ATOM 667 OE1 GLU A 46 -67.629 3.104 -3.299 1.00 0.00 O ATOM 668 OE2 GLU A 46 -66.502 1.272 -3.876 1.00 0.00 O ATOM 0 H GLU A 46 -66.250 -0.504 0.897 1.00 0.00 H new ATOM 0 HA GLU A 46 -64.345 1.141 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -67.208 1.548 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -66.470 2.923 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -65.470 3.602 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -64.764 2.020 -2.244 1.00 0.00 H new ATOM 675 N PHE A 47 -64.328 2.754 1.517 1.00 0.00 N ATOM 676 CA PHE A 47 -63.985 3.331 2.805 1.00 0.00 C ATOM 677 C PHE A 47 -63.834 4.850 2.703 1.00 0.00 C ATOM 678 O PHE A 47 -63.037 5.346 1.908 1.00 0.00 O ATOM 679 CB PHE A 47 -62.644 2.724 3.224 1.00 0.00 C ATOM 680 CG PHE A 47 -62.703 1.222 3.508 1.00 0.00 C ATOM 681 CD1 PHE A 47 -62.595 0.332 2.485 1.00 0.00 C ATOM 682 CD2 PHE A 47 -62.863 0.776 4.783 1.00 0.00 C ATOM 683 CE1 PHE A 47 -62.649 -1.062 2.749 1.00 0.00 C ATOM 684 CE2 PHE A 47 -62.918 -0.618 5.047 1.00 0.00 C ATOM 685 CZ PHE A 47 -62.810 -1.508 4.024 1.00 0.00 C ATOM 0 H PHE A 47 -64.022 3.299 0.711 1.00 0.00 H new ATOM 0 HA PHE A 47 -64.772 3.119 3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -61.913 2.906 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -62.287 3.238 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -62.468 0.686 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -62.948 1.483 5.595 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -62.562 -1.769 1.937 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -63.046 -0.972 6.060 1.00 0.00 H new ATOM 0 HZ PHE A 47 -62.852 -2.568 4.224 1.00 0.00 H new ATOM 695 N TYR A 48 -64.612 5.546 3.519 1.00 0.00 N ATOM 696 CA TYR A 48 -64.574 6.999 3.531 1.00 0.00 C ATOM 697 C TYR A 48 -63.307 7.509 4.220 1.00 0.00 C ATOM 698 O TYR A 48 -63.273 7.647 5.442 1.00 0.00 O ATOM 699 CB TYR A 48 -65.795 7.445 4.338 1.00 0.00 C ATOM 700 CG TYR A 48 -66.185 8.908 4.118 1.00 0.00 C ATOM 701 CD1 TYR A 48 -66.256 9.418 2.838 1.00 0.00 C ATOM 702 CD2 TYR A 48 -66.465 9.718 5.200 1.00 0.00 C ATOM 703 CE1 TYR A 48 -66.623 10.795 2.631 1.00 0.00 C ATOM 704 CE2 TYR A 48 -66.832 11.095 4.993 1.00 0.00 C ATOM 705 CZ TYR A 48 -66.893 11.566 3.719 1.00 0.00 C ATOM 706 OH TYR A 48 -67.240 12.866 3.523 1.00 0.00 O ATOM 0 H TYR A 48 -65.272 5.131 4.176 1.00 0.00 H new ATOM 0 HA TYR A 48 -64.578 7.392 2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -66.642 6.811 4.077 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -65.594 7.288 5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -66.036 8.785 1.991 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -66.409 9.319 6.202 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -66.683 11.207 1.634 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -67.054 11.739 5.831 1.00 0.00 H new ATOM 0 HH TYR A 48 -67.405 13.295 4.389 1.00 0.00 H new ATOM 716 N VAL A 49 -62.296 7.775 3.407 1.00 0.00 N ATOM 717 CA VAL A 49 -61.030 8.268 3.923 1.00 0.00 C ATOM 718 C VAL A 49 -60.993 9.792 3.801 1.00 0.00 C ATOM 719 O VAL A 49 -61.532 10.356 2.850 1.00 0.00 O ATOM 720 CB VAL A 49 -59.868 7.582 3.200 1.00 0.00 C ATOM 721 CG1 VAL A 49 -60.096 6.072 3.106 1.00 0.00 C ATOM 722 CG2 VAL A 49 -59.648 8.191 1.814 1.00 0.00 C ATOM 0 H VAL A 49 -62.327 7.659 2.394 1.00 0.00 H new ATOM 0 HA VAL A 49 -60.928 8.024 4.980 1.00 0.00 H new ATOM 0 HB VAL A 49 -58.964 7.748 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -59.256 5.609 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -60.179 5.653 4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -61.015 5.877 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -58.817 7.685 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -60.551 8.070 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -59.419 9.252 1.915 1.00 0.00 H new ATOM 732 N HIS A 50 -60.351 10.416 4.778 1.00 0.00 N ATOM 733 CA HIS A 50 -60.236 11.865 4.792 1.00 0.00 C ATOM 734 C HIS A 50 -58.762 12.264 4.698 1.00 0.00 C ATOM 735 O HIS A 50 -57.953 11.867 5.535 1.00 0.00 O ATOM 736 CB HIS A 50 -60.932 12.453 6.021 1.00 0.00 C ATOM 737 CG HIS A 50 -60.762 13.946 6.168 1.00 0.00 C ATOM 738 ND1 HIS A 50 -59.651 14.696 6.418 1.00 0.00 N flip ATOM 739 CD2 HIS A 50 -61.817 14.835 6.056 1.00 0.00 C flip ATOM 740 CE1 HIS A 50 -60.007 15.974 6.457 1.00 0.00 C flip ATOM 741 NE2 HIS A 50 -61.350 16.062 6.233 1.00 0.00 N flip ATOM 0 H HIS A 50 -59.905 9.945 5.565 1.00 0.00 H new ATOM 0 HA HIS A 50 -60.745 12.282 3.923 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -61.996 12.222 5.968 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -60.544 11.964 6.914 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -62.846 14.573 5.858 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -59.343 16.807 6.636 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -61.898 16.922 6.206 1.00 0.00 H new ATOM 749 N TYR A 51 -58.458 13.044 3.671 1.00 0.00 N ATOM 750 CA TYR A 51 -57.096 13.501 3.456 1.00 0.00 C ATOM 751 C TYR A 51 -56.705 14.563 4.486 1.00 0.00 C ATOM 752 O TYR A 51 -56.926 15.754 4.269 1.00 0.00 O ATOM 753 CB TYR A 51 -57.077 14.129 2.061 1.00 0.00 C ATOM 754 CG TYR A 51 -57.237 13.121 0.922 1.00 0.00 C ATOM 755 CD1 TYR A 51 -56.278 12.150 0.720 1.00 0.00 C ATOM 756 CD2 TYR A 51 -58.342 13.181 0.097 1.00 0.00 C ATOM 757 CE1 TYR A 51 -56.429 11.200 -0.352 1.00 0.00 C ATOM 758 CE2 TYR A 51 -58.493 12.232 -0.975 1.00 0.00 C ATOM 759 CZ TYR A 51 -57.529 11.288 -1.147 1.00 0.00 C ATOM 760 OH TYR A 51 -57.672 10.391 -2.159 1.00 0.00 O ATOM 0 H TYR A 51 -59.132 13.371 2.979 1.00 0.00 H new ATOM 0 HA TYR A 51 -56.394 12.673 3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -57.877 14.866 1.995 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -56.138 14.665 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -55.414 12.102 1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -59.094 13.940 0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -55.686 10.435 -0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -59.352 12.269 -1.628 1.00 0.00 H new ATOM 0 HH TYR A 51 -57.554 9.483 -1.810 1.00 0.00 H new ATOM 770 N VAL A 52 -56.132 14.094 5.584 1.00 0.00 N ATOM 771 CA VAL A 52 -55.708 14.988 6.648 1.00 0.00 C ATOM 772 C VAL A 52 -54.478 15.774 6.189 1.00 0.00 C ATOM 773 O VAL A 52 -53.509 15.190 5.706 1.00 0.00 O ATOM 774 CB VAL A 52 -55.465 14.195 7.933 1.00 0.00 C ATOM 775 CG1 VAL A 52 -56.658 13.292 8.254 1.00 0.00 C ATOM 776 CG2 VAL A 52 -54.172 13.383 7.840 1.00 0.00 C ATOM 0 H VAL A 52 -55.951 13.106 5.760 1.00 0.00 H new ATOM 0 HA VAL A 52 -56.491 15.712 6.872 1.00 0.00 H new ATOM 0 HB VAL A 52 -55.355 14.907 8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -56.459 12.739 9.172 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -57.552 13.902 8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -56.814 12.590 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -54.023 12.829 8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -54.240 12.684 7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -53.330 14.057 7.681 1.00 0.00 H new ATOM 906 N GLU A 60 -64.021 11.323 -0.191 1.00 0.00 N ATOM 907 CA GLU A 60 -64.563 10.363 -1.138 1.00 0.00 C ATOM 908 C GLU A 60 -64.248 8.936 -0.685 1.00 0.00 C ATOM 909 O GLU A 60 -63.170 8.673 -0.153 1.00 0.00 O ATOM 910 CB GLU A 60 -64.029 10.622 -2.548 1.00 0.00 C ATOM 911 CG GLU A 60 -62.521 10.376 -2.617 1.00 0.00 C ATOM 912 CD GLU A 60 -61.877 11.223 -3.717 1.00 0.00 C ATOM 913 OE1 GLU A 60 -62.414 11.191 -4.845 1.00 0.00 O ATOM 914 OE2 GLU A 60 -60.863 11.883 -3.404 1.00 0.00 O ATOM 0 HA GLU A 60 -65.646 10.483 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -64.540 9.973 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -64.247 11.649 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -62.066 10.615 -1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -62.329 9.320 -2.807 1.00 0.00 H new ATOM 921 N TRP A 61 -65.207 8.051 -0.913 1.00 0.00 N ATOM 922 CA TRP A 61 -65.045 6.657 -0.536 1.00 0.00 C ATOM 923 C TRP A 61 -64.007 6.032 -1.469 1.00 0.00 C ATOM 924 O TRP A 61 -64.164 6.064 -2.689 1.00 0.00 O ATOM 925 CB TRP A 61 -66.388 5.923 -0.559 1.00 0.00 C ATOM 926 CG TRP A 61 -67.466 6.572 0.312 1.00 0.00 C ATOM 927 CD1 TRP A 61 -68.168 7.686 0.062 1.00 0.00 C ATOM 928 CD2 TRP A 61 -67.940 6.098 1.590 1.00 0.00 C ATOM 929 NE1 TRP A 61 -69.056 7.963 1.081 1.00 0.00 N ATOM 930 CE2 TRP A 61 -68.913 6.967 2.040 1.00 0.00 C ATOM 931 CE3 TRP A 61 -67.559 4.972 2.341 1.00 0.00 C ATOM 932 CZ2 TRP A 61 -69.586 6.801 3.256 1.00 0.00 C ATOM 933 CZ3 TRP A 61 -68.241 4.820 3.554 1.00 0.00 C ATOM 934 CH2 TRP A 61 -69.223 5.686 4.021 1.00 0.00 C ATOM 0 H TRP A 61 -66.100 8.272 -1.354 1.00 0.00 H new ATOM 0 HA TRP A 61 -64.685 6.575 0.490 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -66.746 5.874 -1.587 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -66.235 4.896 -0.226 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -68.053 8.291 -0.825 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -69.699 8.753 1.123 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -66.800 4.279 2.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -70.344 7.495 3.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -67.986 3.970 4.170 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -69.704 5.500 4.970 1.00 0.00 H new ATOM 945 N VAL A 62 -62.968 5.479 -0.861 1.00 0.00 N ATOM 946 CA VAL A 62 -61.904 4.847 -1.623 1.00 0.00 C ATOM 947 C VAL A 62 -62.090 3.329 -1.589 1.00 0.00 C ATOM 948 O VAL A 62 -62.934 2.819 -0.853 1.00 0.00 O ATOM 949 CB VAL A 62 -60.542 5.294 -1.088 1.00 0.00 C ATOM 950 CG1 VAL A 62 -60.426 6.820 -1.089 1.00 0.00 C ATOM 951 CG2 VAL A 62 -60.288 4.725 0.309 1.00 0.00 C ATOM 0 H VAL A 62 -62.840 5.455 0.151 1.00 0.00 H new ATOM 0 HA VAL A 62 -61.946 5.156 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 62 -59.775 4.900 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -59.449 7.111 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -60.541 7.193 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -61.206 7.245 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -59.313 5.058 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -61.063 5.075 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -60.306 3.636 0.267 1.00 0.00 H new ATOM 961 N ASP A 63 -61.289 2.648 -2.396 1.00 0.00 N ATOM 962 CA ASP A 63 -61.355 1.199 -2.468 1.00 0.00 C ATOM 963 C ASP A 63 -60.174 0.600 -1.701 1.00 0.00 C ATOM 964 O ASP A 63 -59.226 1.307 -1.364 1.00 0.00 O ATOM 965 CB ASP A 63 -61.272 0.715 -3.917 1.00 0.00 C ATOM 966 CG ASP A 63 -62.387 1.222 -4.833 1.00 0.00 C ATOM 967 OD1 ASP A 63 -63.483 0.623 -4.779 1.00 0.00 O ATOM 968 OD2 ASP A 63 -62.119 2.198 -5.567 1.00 0.00 O ATOM 0 H ASP A 63 -60.591 3.074 -3.006 1.00 0.00 H new ATOM 0 HA ASP A 63 -62.305 0.883 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -60.313 1.023 -4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -61.286 -0.375 -3.922 1.00 0.00 H new ATOM 973 N LYS A 64 -60.271 -0.697 -1.447 1.00 0.00 N ATOM 974 CA LYS A 64 -59.223 -1.399 -0.726 1.00 0.00 C ATOM 975 C LYS A 64 -57.929 -1.349 -1.541 1.00 0.00 C ATOM 976 O LYS A 64 -56.835 -1.381 -0.978 1.00 0.00 O ATOM 977 CB LYS A 64 -59.673 -2.817 -0.373 1.00 0.00 C ATOM 978 CG LYS A 64 -60.828 -2.792 0.631 1.00 0.00 C ATOM 979 CD LYS A 64 -60.955 -4.134 1.354 1.00 0.00 C ATOM 980 CE LYS A 64 -60.707 -3.973 2.856 1.00 0.00 C ATOM 981 NZ LYS A 64 -61.473 -4.984 3.619 1.00 0.00 N ATOM 0 H LYS A 64 -61.059 -1.280 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 64 -59.020 -0.908 0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -59.984 -3.339 -1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -58.835 -3.375 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -60.665 -1.997 1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -61.760 -2.564 0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -61.950 -4.548 1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -60.241 -4.844 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -59.643 -4.078 3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -60.998 -2.972 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -61.167 -4.974 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -62.488 -4.763 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -61.303 -5.927 3.214 1.00 0.00 H new ATOM 995 N ASN A 65 -58.095 -1.272 -2.853 1.00 0.00 N ATOM 996 CA ASN A 65 -56.954 -1.218 -3.751 1.00 0.00 C ATOM 997 C ASN A 65 -56.343 0.184 -3.708 1.00 0.00 C ATOM 998 O ASN A 65 -55.124 0.335 -3.770 1.00 0.00 O ATOM 999 CB ASN A 65 -57.374 -1.507 -5.193 1.00 0.00 C ATOM 1000 CG ASN A 65 -57.188 -2.987 -5.533 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -57.245 -3.858 -4.680 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -56.964 -3.223 -6.822 1.00 0.00 N ATOM 0 H ASN A 65 -59.003 -1.246 -3.316 1.00 0.00 H new ATOM 0 HA ASN A 65 -56.234 -1.970 -3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -58.418 -1.226 -5.335 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -56.784 -0.896 -5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -56.828 -4.179 -7.149 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -56.929 -2.448 -7.484 1.00 0.00 H new ATOM 1009 N ARG A 66 -57.218 1.173 -3.602 1.00 0.00 N ATOM 1010 CA ARG A 66 -56.780 2.557 -3.550 1.00 0.00 C ATOM 1011 C ARG A 66 -55.962 2.808 -2.281 1.00 0.00 C ATOM 1012 O ARG A 66 -55.153 3.733 -2.232 1.00 0.00 O ATOM 1013 CB ARG A 66 -57.973 3.515 -3.577 1.00 0.00 C ATOM 1014 CG ARG A 66 -58.670 3.483 -4.939 1.00 0.00 C ATOM 1015 CD ARG A 66 -59.713 4.597 -5.046 1.00 0.00 C ATOM 1016 NE ARG A 66 -60.024 4.864 -6.468 1.00 0.00 N ATOM 1017 CZ ARG A 66 -59.200 5.500 -7.311 1.00 0.00 C ATOM 1018 NH1 ARG A 66 -58.009 5.939 -6.881 1.00 0.00 N ATOM 1019 NH2 ARG A 66 -59.565 5.697 -8.585 1.00 0.00 N ATOM 0 H ARG A 66 -58.228 1.043 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 66 -56.161 2.741 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -58.682 3.242 -2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -57.635 4.529 -3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -57.931 3.594 -5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -59.150 2.515 -5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -60.620 4.309 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -59.339 5.504 -4.571 1.00 0.00 H new ATOM 0 HE ARG A 66 -60.923 4.543 -6.829 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -57.730 5.789 -5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -57.382 6.423 -7.523 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -60.471 5.363 -8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -58.937 6.181 -9.226 1.00 0.00 H new ATOM 1033 N LEU A 67 -56.203 1.968 -1.285 1.00 0.00 N ATOM 1034 CA LEU A 67 -55.499 2.087 -0.019 1.00 0.00 C ATOM 1035 C LEU A 67 -54.261 1.189 -0.042 1.00 0.00 C ATOM 1036 O LEU A 67 -54.050 0.441 -0.996 1.00 0.00 O ATOM 1037 CB LEU A 67 -56.445 1.800 1.149 1.00 0.00 C ATOM 1038 CG LEU A 67 -57.631 2.755 1.301 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -58.830 2.043 1.931 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -57.231 4.006 2.085 1.00 0.00 C ATOM 0 H LEU A 67 -56.876 1.202 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 67 -55.149 3.109 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -56.832 0.787 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -55.867 1.820 2.073 1.00 0.00 H new ATOM 0 HG LEU A 67 -57.936 3.082 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -59.659 2.744 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -59.132 1.209 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -58.554 1.669 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -58.092 4.668 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -56.885 3.718 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -56.430 4.525 1.558 1.00 0.00 H new ATOM 1052 N ALA A 68 -53.474 1.292 1.019 1.00 0.00 N ATOM 1053 CA ALA A 68 -52.262 0.498 1.132 1.00 0.00 C ATOM 1054 C ALA A 68 -52.496 -0.641 2.126 1.00 0.00 C ATOM 1055 O ALA A 68 -52.537 -0.417 3.334 1.00 0.00 O ATOM 1056 CB ALA A 68 -51.097 1.401 1.542 1.00 0.00 C ATOM 0 H ALA A 68 -53.652 1.913 1.808 1.00 0.00 H new ATOM 0 HA ALA A 68 -52.004 0.050 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -50.188 0.806 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -50.955 2.176 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -51.318 1.866 2.503 1.00 0.00 H new ATOM 1062 N LEU A 69 -52.642 -1.840 1.580 1.00 0.00 N ATOM 1063 CA LEU A 69 -52.869 -3.015 2.403 1.00 0.00 C ATOM 1064 C LEU A 69 -51.666 -3.953 2.290 1.00 0.00 C ATOM 1065 O LEU A 69 -51.534 -4.684 1.310 1.00 0.00 O ATOM 1066 CB LEU A 69 -54.200 -3.675 2.038 1.00 0.00 C ATOM 1067 CG LEU A 69 -55.431 -2.767 2.072 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -56.548 -3.324 1.186 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -55.902 -2.535 3.509 1.00 0.00 C ATOM 0 H LEU A 69 -52.607 -2.022 0.577 1.00 0.00 H new ATOM 0 HA LEU A 69 -52.956 -2.734 3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -54.111 -4.096 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -54.369 -4.508 2.720 1.00 0.00 H new ATOM 0 HG LEU A 69 -55.150 -1.796 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -57.411 -2.660 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -56.195 -3.395 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -56.834 -4.314 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -56.778 -1.886 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -56.160 -3.490 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -55.104 -2.063 4.082 1.00 0.00 H new ATOM 1464 N ARG A 94 -45.318 32.418 23.098 1.00 0.00 N ATOM 1465 CA ARG A 94 -44.650 33.571 23.678 1.00 0.00 C ATOM 1466 C ARG A 94 -45.042 33.726 25.149 1.00 0.00 C ATOM 1467 O ARG A 94 -45.872 32.974 25.657 1.00 0.00 O ATOM 1468 CB ARG A 94 -45.010 34.852 22.923 1.00 0.00 C ATOM 1469 CG ARG A 94 -43.781 35.442 22.229 1.00 0.00 C ATOM 1470 CD ARG A 94 -43.370 36.768 22.874 1.00 0.00 C ATOM 1471 NE ARG A 94 -43.314 37.834 21.849 1.00 0.00 N ATOM 1472 CZ ARG A 94 -44.390 38.472 21.369 1.00 0.00 C ATOM 1473 NH1 ARG A 94 -45.612 38.157 21.819 1.00 0.00 N ATOM 1474 NH2 ARG A 94 -44.244 39.427 20.440 1.00 0.00 N ATOM 0 HA ARG A 94 -43.575 33.407 23.600 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -45.782 34.638 22.184 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -45.426 35.583 23.617 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -42.953 34.735 22.284 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -43.996 35.599 21.172 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -44.082 37.039 23.653 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -42.397 36.662 23.354 1.00 0.00 H new ATOM 0 HE ARG A 94 -42.399 38.100 21.485 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -45.723 37.431 22.527 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -46.431 38.643 21.453 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -43.314 39.668 20.098 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -45.063 39.913 20.075 1.00 0.00 H new ATOM 1488 N LYS A 95 -44.426 34.708 25.791 1.00 0.00 N ATOM 1489 CA LYS A 95 -44.700 34.972 27.194 1.00 0.00 C ATOM 1490 C LYS A 95 -45.266 36.386 27.341 1.00 0.00 C ATOM 1491 O LYS A 95 -44.818 37.311 26.666 1.00 0.00 O ATOM 1492 CB LYS A 95 -43.451 34.719 28.040 1.00 0.00 C ATOM 1493 CG LYS A 95 -42.247 35.484 27.485 1.00 0.00 C ATOM 1494 CD LYS A 95 -41.281 34.539 26.767 1.00 0.00 C ATOM 1495 CE LYS A 95 -40.089 35.307 26.193 1.00 0.00 C ATOM 1496 NZ LYS A 95 -40.360 35.716 24.796 1.00 0.00 N ATOM 0 H LYS A 95 -43.739 35.330 25.366 1.00 0.00 H new ATOM 0 HA LYS A 95 -45.457 34.284 27.571 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -43.637 35.025 29.070 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -43.231 33.652 28.059 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -42.588 36.255 26.794 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -41.728 35.992 28.298 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -40.927 33.778 27.462 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -41.804 34.019 25.964 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -39.888 36.187 26.803 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -39.196 34.683 26.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -39.545 35.470 24.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -41.206 35.222 24.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -40.519 36.743 24.760 1.00 0.00 H new ATOM 1510 N ILE A 96 -46.243 36.508 28.228 1.00 0.00 N ATOM 1511 CA ILE A 96 -46.875 37.793 28.472 1.00 0.00 C ATOM 1512 C ILE A 96 -45.919 38.684 29.268 1.00 0.00 C ATOM 1513 O ILE A 96 -44.870 38.227 29.720 1.00 0.00 O ATOM 1514 CB ILE A 96 -48.237 37.602 29.142 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -49.050 38.898 29.113 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -48.078 37.057 30.563 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -50.551 38.603 29.089 1.00 0.00 C ATOM 0 H ILE A 96 -46.612 35.738 28.786 1.00 0.00 H new ATOM 0 HA ILE A 96 -47.077 38.302 27.530 1.00 0.00 H new ATOM 0 HB ILE A 96 -48.796 36.859 28.573 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -48.809 39.503 29.987 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -48.777 39.483 28.235 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -49.061 36.931 31.016 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -47.568 36.094 30.529 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -47.492 37.757 31.158 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -51.106 39.541 29.069 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -50.793 38.019 28.201 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -50.825 38.039 29.980 1.00 0.00 H new ATOM 1529 N THR A 97 -46.315 39.940 29.414 1.00 0.00 N ATOM 1530 CA THR A 97 -45.506 40.899 30.148 1.00 0.00 C ATOM 1531 C THR A 97 -46.400 41.875 30.914 1.00 0.00 C ATOM 1532 O THR A 97 -47.173 42.619 30.312 1.00 0.00 O ATOM 1533 CB THR A 97 -44.569 41.587 29.152 1.00 0.00 C ATOM 1534 OG1 THR A 97 -43.647 42.295 29.975 1.00 0.00 O ATOM 1535 CG2 THR A 97 -45.271 42.684 28.350 1.00 0.00 C ATOM 0 H THR A 97 -47.185 40.316 29.037 1.00 0.00 H new ATOM 0 HA THR A 97 -44.895 40.405 30.904 1.00 0.00 H new ATOM 0 HB THR A 97 -44.158 40.844 28.468 1.00 0.00 H new ATOM 0 HG1 THR A 97 -43.001 42.769 29.410 1.00 0.00 H new ATOM 0 HG21 THR A 97 -44.562 43.140 27.659 1.00 0.00 H new ATOM 0 HG22 THR A 97 -46.098 42.251 27.788 1.00 0.00 H new ATOM 0 HG23 THR A 97 -45.654 43.444 29.031 1.00 0.00 H new ATOM 1543 N ARG A 98 -46.265 41.841 32.232 1.00 0.00 N ATOM 1544 CA ARG A 98 -47.052 42.713 33.088 1.00 0.00 C ATOM 1545 C ARG A 98 -46.181 43.281 34.210 1.00 0.00 C ATOM 1546 O ARG A 98 -45.071 42.803 34.442 1.00 0.00 O ATOM 1547 CB ARG A 98 -48.236 41.963 33.700 1.00 0.00 C ATOM 1548 CG ARG A 98 -47.756 40.823 34.601 1.00 0.00 C ATOM 1549 CD ARG A 98 -48.286 40.991 36.026 1.00 0.00 C ATOM 1550 NE ARG A 98 -47.188 41.404 36.929 1.00 0.00 N ATOM 1551 CZ ARG A 98 -46.324 40.554 37.499 1.00 0.00 C ATOM 1552 NH1 ARG A 98 -46.425 39.238 37.265 1.00 0.00 N ATOM 1553 NH2 ARG A 98 -45.359 41.019 38.305 1.00 0.00 N ATOM 0 H ARG A 98 -45.622 41.223 32.728 1.00 0.00 H new ATOM 0 HA ARG A 98 -47.433 43.527 32.471 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -48.850 42.654 34.278 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -48.867 41.563 32.906 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -48.090 39.868 34.195 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -46.666 40.800 34.615 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -49.081 41.737 36.042 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -48.721 40.054 36.374 1.00 0.00 H new ATOM 0 HE ARG A 98 -47.083 42.399 37.130 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -47.160 38.884 36.653 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -45.767 38.591 37.699 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -45.283 42.020 38.484 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -44.701 40.372 38.739 1.00 0.00 H new ATOM 1567 N ASN A 99 -46.717 44.292 34.878 1.00 0.00 N ATOM 1568 CA ASN A 99 -46.003 44.930 35.971 1.00 0.00 C ATOM 1569 C ASN A 99 -47.003 45.652 36.875 1.00 0.00 C ATOM 1570 O ASN A 99 -48.174 45.792 36.525 1.00 0.00 O ATOM 1571 CB ASN A 99 -45.005 45.965 35.448 1.00 0.00 C ATOM 1572 CG ASN A 99 -45.728 47.116 34.746 1.00 0.00 C ATOM 1573 OD1 ASN A 99 -46.450 46.933 33.779 1.00 0.00 O ATOM 1574 ND2 ASN A 99 -45.494 48.310 35.284 1.00 0.00 N ATOM 0 H ASN A 99 -47.638 44.685 34.683 1.00 0.00 H new ATOM 0 HA ASN A 99 -45.465 44.156 36.519 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -44.412 46.354 36.275 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -44.312 45.489 34.755 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -45.930 49.142 34.887 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -44.879 48.393 36.093 1.00 0.00 H new ATOM 1581 N GLN A 100 -46.505 46.093 38.021 1.00 0.00 N ATOM 1582 CA GLN A 100 -47.341 46.798 38.979 1.00 0.00 C ATOM 1583 C GLN A 100 -46.476 47.445 40.062 1.00 0.00 C ATOM 1584 O GLN A 100 -45.281 47.171 40.154 1.00 0.00 O ATOM 1585 CB GLN A 100 -48.380 45.859 39.595 1.00 0.00 C ATOM 1586 CG GLN A 100 -47.704 44.725 40.369 1.00 0.00 C ATOM 1587 CD GLN A 100 -48.274 43.366 39.958 1.00 0.00 C ATOM 1588 OE1 GLN A 100 -49.310 43.264 39.323 1.00 0.00 O ATOM 1589 NE2 GLN A 100 -47.540 42.330 40.356 1.00 0.00 N ATOM 0 H GLN A 100 -45.533 45.976 38.308 1.00 0.00 H new ATOM 0 HA GLN A 100 -47.879 47.586 38.452 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -49.033 46.421 40.263 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -49.010 45.443 38.809 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -46.630 44.744 40.185 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -47.846 44.875 41.439 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -46.682 42.486 40.885 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -47.835 41.380 40.132 1.00 0.00 H new ATOM 1598 N LYS A 101 -47.114 48.293 40.855 1.00 0.00 N ATOM 1599 CA LYS A 101 -46.419 48.982 41.929 1.00 0.00 C ATOM 1600 C LYS A 101 -47.436 49.733 42.791 1.00 0.00 C ATOM 1601 O LYS A 101 -48.250 50.496 42.274 1.00 0.00 O ATOM 1602 CB LYS A 101 -45.313 49.876 41.364 1.00 0.00 C ATOM 1603 CG LYS A 101 -44.055 49.807 42.231 1.00 0.00 C ATOM 1604 CD LYS A 101 -43.321 48.479 42.029 1.00 0.00 C ATOM 1605 CE LYS A 101 -42.365 48.199 43.189 1.00 0.00 C ATOM 1606 NZ LYS A 101 -40.961 48.227 42.722 1.00 0.00 N ATOM 0 H LYS A 101 -48.105 48.519 40.775 1.00 0.00 H new ATOM 0 HA LYS A 101 -45.918 48.265 42.579 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -45.075 49.567 40.346 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -45.665 50.906 41.310 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -43.391 50.635 41.981 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -44.326 49.921 43.281 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -44.045 47.668 41.946 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -42.764 48.506 41.092 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -42.508 48.942 43.974 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -42.590 47.226 43.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -40.325 48.035 43.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -40.824 47.502 41.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -40.746 49.164 42.326 1.00 0.00 H new ATOM 1620 N ARG A 102 -47.356 49.489 44.091 1.00 0.00 N ATOM 1621 CA ARG A 102 -48.259 50.132 45.030 1.00 0.00 C ATOM 1622 C ARG A 102 -47.578 50.304 46.389 1.00 0.00 C ATOM 1623 O ARG A 102 -46.750 49.484 46.780 1.00 0.00 O ATOM 1624 CB ARG A 102 -49.541 49.315 45.209 1.00 0.00 C ATOM 1625 CG ARG A 102 -50.633 50.149 45.881 1.00 0.00 C ATOM 1626 CD ARG A 102 -51.030 49.547 47.231 1.00 0.00 C ATOM 1627 NE ARG A 102 -52.216 48.677 47.068 1.00 0.00 N ATOM 1628 CZ ARG A 102 -53.426 49.118 46.700 1.00 0.00 C ATOM 1629 NH1 ARG A 102 -53.619 50.421 46.456 1.00 0.00 N ATOM 1630 NH2 ARG A 102 -54.445 48.256 46.578 1.00 0.00 N ATOM 0 H ARG A 102 -46.680 48.855 44.516 1.00 0.00 H new ATOM 0 HA ARG A 102 -48.518 51.110 44.624 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -49.892 48.965 44.238 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -49.332 48.431 45.811 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -50.280 51.170 46.024 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -51.507 50.202 45.231 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -50.200 48.971 47.640 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -51.248 50.343 47.943 1.00 0.00 H new ATOM 0 HE ARG A 102 -52.105 47.679 47.247 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -52.844 51.078 46.550 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -54.541 50.756 46.176 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -54.299 47.264 46.765 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -55.366 48.592 46.298 1.00 0.00 H new ATOM 1644 N LYS A 103 -47.952 51.377 47.071 1.00 0.00 N ATOM 1645 CA LYS A 103 -47.388 51.667 48.378 1.00 0.00 C ATOM 1646 C LYS A 103 -48.271 52.690 49.094 1.00 0.00 C ATOM 1647 O LYS A 103 -49.053 53.395 48.458 1.00 0.00 O ATOM 1648 CB LYS A 103 -45.927 52.102 48.246 1.00 0.00 C ATOM 1649 CG LYS A 103 -45.824 53.504 47.643 1.00 0.00 C ATOM 1650 CD LYS A 103 -44.680 54.293 48.283 1.00 0.00 C ATOM 1651 CE LYS A 103 -45.033 54.709 49.712 1.00 0.00 C ATOM 1652 NZ LYS A 103 -43.803 54.936 50.504 1.00 0.00 N ATOM 0 H LYS A 103 -48.639 52.056 46.743 1.00 0.00 H new ATOM 0 HA LYS A 103 -47.375 50.769 48.995 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -45.450 52.088 49.226 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -45.388 51.392 47.619 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -45.663 53.430 46.568 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -46.764 54.036 47.789 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -43.775 53.686 48.290 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -44.465 55.179 47.685 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -45.634 55.618 49.695 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -45.639 53.935 50.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -44.060 55.218 51.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -43.244 54.060 50.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -43.240 55.690 50.062 1.00 0.00 H new ATOM 1666 N HIS A 104 -48.118 52.739 50.410 1.00 0.00 N ATOM 1667 CA HIS A 104 -48.892 53.664 51.219 1.00 0.00 C ATOM 1668 C HIS A 104 -48.351 53.670 52.650 1.00 0.00 C ATOM 1669 O HIS A 104 -47.719 52.708 53.083 1.00 0.00 O ATOM 1670 CB HIS A 104 -50.384 53.329 51.151 1.00 0.00 C ATOM 1671 CG HIS A 104 -50.757 52.044 51.851 1.00 0.00 C ATOM 1672 ND1 HIS A 104 -50.549 51.840 53.204 1.00 0.00 N ATOM 1673 CD2 HIS A 104 -51.328 50.902 51.372 1.00 0.00 C ATOM 1674 CE1 HIS A 104 -50.978 50.625 53.514 1.00 0.00 C ATOM 1675 NE2 HIS A 104 -51.460 50.045 52.377 1.00 0.00 N ATOM 0 H HIS A 104 -47.469 52.153 50.935 1.00 0.00 H new ATOM 0 HA HIS A 104 -48.787 54.674 50.823 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -50.951 54.149 51.592 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -50.683 53.261 50.105 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -51.623 50.725 50.348 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -50.951 50.173 54.495 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -51.856 49.108 52.310 1.00 0.00 H new ATOM 1683 N ASP A 105 -48.619 54.766 53.346 1.00 0.00 N ATOM 1684 CA ASP A 105 -48.167 54.910 54.719 1.00 0.00 C ATOM 1685 C ASP A 105 -48.516 56.312 55.222 1.00 0.00 C ATOM 1686 O ASP A 105 -48.741 57.222 54.426 1.00 0.00 O ATOM 1687 CB ASP A 105 -46.651 54.734 54.821 1.00 0.00 C ATOM 1688 CG ASP A 105 -46.194 53.498 55.598 1.00 0.00 C ATOM 1689 OD1 ASP A 105 -47.020 52.568 55.722 1.00 0.00 O ATOM 1690 OD2 ASP A 105 -45.028 53.510 56.049 1.00 0.00 O ATOM 0 H ASP A 105 -49.144 55.562 52.984 1.00 0.00 H new ATOM 0 HA ASP A 105 -48.660 54.144 55.318 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -46.238 54.685 53.814 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -46.229 55.620 55.296 1.00 0.00 H new ATOM 1695 N GLU A 106 -48.549 56.443 56.540 1.00 0.00 N ATOM 1696 CA GLU A 106 -48.866 57.719 57.158 1.00 0.00 C ATOM 1697 C GLU A 106 -48.307 57.772 58.581 1.00 0.00 C ATOM 1698 O GLU A 106 -48.470 56.827 59.352 1.00 0.00 O ATOM 1699 CB GLU A 106 -50.375 57.972 57.151 1.00 0.00 C ATOM 1700 CG GLU A 106 -50.685 59.444 57.425 1.00 0.00 C ATOM 1701 CD GLU A 106 -52.135 59.624 57.881 1.00 0.00 C ATOM 1702 OE1 GLU A 106 -53.021 59.531 57.004 1.00 0.00 O ATOM 1703 OE2 GLU A 106 -52.324 59.849 59.095 1.00 0.00 O ATOM 0 H GLU A 106 -48.361 55.686 57.197 1.00 0.00 H new ATOM 0 HA GLU A 106 -48.396 58.511 56.574 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -50.791 57.682 56.186 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -50.855 57.349 57.905 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -50.009 59.825 58.191 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -50.508 60.030 56.523 1.00 0.00 H new ATOM 1710 N ILE A 107 -47.661 58.888 58.888 1.00 0.00 N ATOM 1711 CA ILE A 107 -47.077 59.077 60.205 1.00 0.00 C ATOM 1712 C ILE A 107 -48.190 59.374 61.212 1.00 0.00 C ATOM 1713 O ILE A 107 -49.348 59.542 60.833 1.00 0.00 O ATOM 1714 CB ILE A 107 -45.987 60.149 60.159 1.00 0.00 C ATOM 1715 CG1 ILE A 107 -46.563 61.499 59.726 1.00 0.00 C ATOM 1716 CG2 ILE A 107 -44.824 59.710 59.267 1.00 0.00 C ATOM 1717 CD1 ILE A 107 -46.761 62.422 60.930 1.00 0.00 C ATOM 0 H ILE A 107 -47.529 59.670 58.247 1.00 0.00 H new ATOM 0 HA ILE A 107 -46.580 58.165 60.537 1.00 0.00 H new ATOM 0 HB ILE A 107 -45.591 60.276 61.166 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -45.893 61.971 59.008 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -47.516 61.346 59.220 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -44.063 60.490 59.252 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -44.392 58.789 59.659 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -45.187 59.538 58.254 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -47.171 63.375 60.595 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -47.451 61.958 61.635 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -45.802 62.592 61.420 1.00 0.00 H new ATOM 1729 N ASN A 108 -47.799 59.430 62.477 1.00 0.00 N ATOM 1730 CA ASN A 108 -48.749 59.704 63.542 1.00 0.00 C ATOM 1731 C ASN A 108 -47.988 59.969 64.843 1.00 0.00 C ATOM 1732 O ASN A 108 -46.797 59.677 64.940 1.00 0.00 O ATOM 1733 CB ASN A 108 -49.678 58.510 63.773 1.00 0.00 C ATOM 1734 CG ASN A 108 -48.910 57.323 64.357 1.00 0.00 C ATOM 1735 OD1 ASN A 108 -48.248 56.574 63.658 1.00 0.00 O ATOM 1736 ND2 ASN A 108 -49.035 57.194 65.675 1.00 0.00 N ATOM 0 H ASN A 108 -46.838 59.290 62.788 1.00 0.00 H new ATOM 0 HA ASN A 108 -49.342 60.571 63.250 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -50.482 58.796 64.451 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -50.143 58.219 62.831 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -48.561 56.432 66.160 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -49.605 57.857 66.200 1.00 0.00 H new ATOM 1743 N HIS A 109 -48.706 60.520 65.810 1.00 0.00 N ATOM 1744 CA HIS A 109 -48.114 60.827 67.101 1.00 0.00 C ATOM 1745 C HIS A 109 -49.220 61.052 68.133 1.00 0.00 C ATOM 1746 O HIS A 109 -50.403 61.026 67.796 1.00 0.00 O ATOM 1747 CB HIS A 109 -47.156 62.015 66.989 1.00 0.00 C ATOM 1748 CG HIS A 109 -47.847 63.353 66.876 1.00 0.00 C ATOM 1749 ND1 HIS A 109 -48.817 63.923 67.648 1.00 0.00 N flip ATOM 1750 CD2 HIS A 109 -47.558 64.264 65.875 1.00 0.00 C flip ATOM 1751 CE1 HIS A 109 -49.104 65.118 67.146 1.00 0.00 C flip ATOM 1752 NE2 HIS A 109 -48.325 65.331 66.047 1.00 0.00 N flip ATOM 0 H HIS A 109 -49.693 60.762 65.725 1.00 0.00 H new ATOM 0 HA HIS A 109 -47.515 59.982 67.441 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -46.505 62.027 67.863 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -46.517 61.873 66.117 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -46.831 64.128 65.088 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -49.834 65.808 67.543 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -48.332 66.165 65.460 1.00 0.00 H new ATOM 1760 N VAL A 110 -48.796 61.269 69.369 1.00 0.00 N ATOM 1761 CA VAL A 110 -49.736 61.499 70.453 1.00 0.00 C ATOM 1762 C VAL A 110 -49.594 62.939 70.950 1.00 0.00 C ATOM 1763 O VAL A 110 -48.603 63.606 70.655 1.00 0.00 O ATOM 1764 CB VAL A 110 -49.525 60.462 71.558 1.00 0.00 C ATOM 1765 CG1 VAL A 110 -48.035 60.182 71.769 1.00 0.00 C ATOM 1766 CG2 VAL A 110 -50.189 60.907 72.862 1.00 0.00 C ATOM 0 H VAL A 110 -47.814 61.290 69.644 1.00 0.00 H new ATOM 0 HA VAL A 110 -50.760 61.376 70.102 1.00 0.00 H new ATOM 0 HB VAL A 110 -49.999 59.533 71.241 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -47.912 59.442 72.560 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -47.602 59.801 70.844 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -47.528 61.104 72.054 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -50.024 60.152 73.631 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -49.757 61.854 73.185 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -51.260 61.032 72.701 1.00 0.00 H new ATOM 1776 N GLN A 111 -50.598 63.377 71.695 1.00 0.00 N ATOM 1777 CA GLN A 111 -50.597 64.726 72.235 1.00 0.00 C ATOM 1778 C GLN A 111 -49.373 64.939 73.127 1.00 0.00 C ATOM 1779 O GLN A 111 -48.516 64.063 73.231 1.00 0.00 O ATOM 1780 CB GLN A 111 -51.890 65.010 73.001 1.00 0.00 C ATOM 1781 CG GLN A 111 -53.060 65.231 72.040 1.00 0.00 C ATOM 1782 CD GLN A 111 -54.308 64.483 72.514 1.00 0.00 C ATOM 1783 OE1 GLN A 111 -54.934 63.740 71.777 1.00 0.00 O ATOM 1784 NE2 GLN A 111 -54.632 64.720 73.782 1.00 0.00 N ATOM 0 H GLN A 111 -51.418 62.821 71.938 1.00 0.00 H new ATOM 0 HA GLN A 111 -50.544 65.430 71.404 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -52.114 64.176 73.666 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -51.759 65.891 73.629 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -53.277 66.297 71.965 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -52.785 64.890 71.042 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -54.064 65.354 74.344 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -55.449 64.268 74.193 1.00 0.00 H new ATOM 1793 N LYS A 112 -49.329 66.109 73.747 1.00 0.00 N ATOM 1794 CA LYS A 112 -48.224 66.449 74.627 1.00 0.00 C ATOM 1795 C LYS A 112 -48.429 67.863 75.174 1.00 0.00 C ATOM 1796 O LYS A 112 -48.433 68.831 74.415 1.00 0.00 O ATOM 1797 CB LYS A 112 -46.887 66.256 73.907 1.00 0.00 C ATOM 1798 CG LYS A 112 -45.881 65.531 74.803 1.00 0.00 C ATOM 1799 CD LYS A 112 -45.193 66.509 75.757 1.00 0.00 C ATOM 1800 CE LYS A 112 -45.415 66.101 77.215 1.00 0.00 C ATOM 1801 NZ LYS A 112 -44.799 67.088 78.129 1.00 0.00 N ATOM 0 H LYS A 112 -50.041 66.834 73.657 1.00 0.00 H new ATOM 0 HA LYS A 112 -48.199 65.776 75.484 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -47.042 65.685 72.992 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -46.485 67.226 73.613 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -46.391 64.756 75.376 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -45.133 65.032 74.187 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -44.125 66.540 75.543 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -45.580 67.515 75.594 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -46.483 66.025 77.419 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -44.986 65.115 77.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -44.959 66.796 79.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -43.777 67.141 77.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -45.228 68.022 77.971 1.00 0.00 H new ATOM 1829 N TYR A 114 -49.194 70.107 79.349 1.00 0.00 N ATOM 1830 CA TYR A 114 -49.253 70.083 80.800 1.00 0.00 C ATOM 1831 C TYR A 114 -49.856 71.379 81.346 1.00 0.00 C ATOM 1832 O TYR A 114 -50.088 72.324 80.594 1.00 0.00 O ATOM 1833 CB TYR A 114 -47.805 69.967 81.279 1.00 0.00 C ATOM 1834 CG TYR A 114 -46.935 71.177 80.931 1.00 0.00 C ATOM 1835 CD1 TYR A 114 -46.946 72.291 81.745 1.00 0.00 C ATOM 1836 CD2 TYR A 114 -46.141 71.153 79.803 1.00 0.00 C ATOM 1837 CE1 TYR A 114 -46.127 73.430 81.417 1.00 0.00 C ATOM 1838 CE2 TYR A 114 -45.323 72.292 79.475 1.00 0.00 C ATOM 1839 CZ TYR A 114 -45.356 73.374 80.298 1.00 0.00 C ATOM 1840 OH TYR A 114 -44.584 74.449 79.988 1.00 0.00 O ATOM 0 HA TYR A 114 -49.875 69.257 81.145 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -47.801 69.828 82.360 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -47.359 69.074 80.841 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -47.568 72.309 82.628 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -46.133 70.281 79.166 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -46.125 74.308 82.045 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -44.697 72.287 78.595 1.00 0.00 H new ATOM 0 HH TYR A 114 -44.086 74.267 79.164 1.00 0.00 H new ATOM 1850 N ALA A 115 -50.093 71.381 82.650 1.00 0.00 N ATOM 1851 CA ALA A 115 -50.664 72.545 83.305 1.00 0.00 C ATOM 1852 C ALA A 115 -50.670 72.322 84.818 1.00 0.00 C ATOM 1853 O ALA A 115 -51.579 71.689 85.353 1.00 0.00 O ATOM 1854 CB ALA A 115 -52.066 72.807 82.749 1.00 0.00 C ATOM 0 H ALA A 115 -49.900 70.595 83.270 1.00 0.00 H new ATOM 0 HA ALA A 115 -50.062 73.432 83.105 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -52.495 73.680 83.240 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -52.004 72.988 81.676 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -52.699 71.939 82.934 1.00 0.00 H new ATOM 1860 N GLU A 116 -49.644 72.854 85.466 1.00 0.00 N ATOM 1861 CA GLU A 116 -49.519 72.721 86.908 1.00 0.00 C ATOM 1862 C GLU A 116 -49.547 74.099 87.573 1.00 0.00 C ATOM 1863 O GLU A 116 -48.502 74.716 87.773 1.00 0.00 O ATOM 1864 CB GLU A 116 -48.246 71.958 87.280 1.00 0.00 C ATOM 1865 CG GLU A 116 -48.554 70.491 87.585 1.00 0.00 C ATOM 1866 CD GLU A 116 -47.319 69.614 87.369 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -46.230 70.052 87.800 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -47.492 68.527 86.778 1.00 0.00 O ATOM 0 H GLU A 116 -48.892 73.378 85.019 1.00 0.00 H new ATOM 0 HA GLU A 116 -50.369 72.145 87.275 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -47.529 72.020 86.462 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -47.780 72.423 88.148 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -48.897 70.394 88.615 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -49.366 70.146 86.945 1.00 0.00 H new ATOM 1875 N MET A 117 -50.753 74.540 87.897 1.00 0.00 N ATOM 1876 CA MET A 117 -50.931 75.833 88.534 1.00 0.00 C ATOM 1877 C MET A 117 -51.414 75.671 89.977 1.00 0.00 C ATOM 1878 O MET A 117 -51.774 74.572 90.395 1.00 0.00 O ATOM 1879 CB MET A 117 -51.950 76.657 87.744 1.00 0.00 C ATOM 1880 CG MET A 117 -51.343 77.172 86.438 1.00 0.00 C ATOM 1881 SD MET A 117 -51.404 75.896 85.191 1.00 0.00 S ATOM 1882 CE MET A 117 -49.958 76.324 84.237 1.00 0.00 C ATOM 0 H MET A 117 -51.617 74.024 87.730 1.00 0.00 H new ATOM 0 HA MET A 117 -49.969 76.345 88.547 1.00 0.00 H new ATOM 0 HB2 MET A 117 -52.826 76.047 87.526 1.00 0.00 H new ATOM 0 HB3 MET A 117 -52.290 77.498 88.348 1.00 0.00 H new ATOM 0 HG2 MET A 117 -51.888 78.052 86.096 1.00 0.00 H new ATOM 0 HG3 MET A 117 -50.311 77.481 86.604 1.00 0.00 H new ATOM 0 HE1 MET A 117 -49.952 75.753 83.309 1.00 0.00 H new ATOM 0 HE2 MET A 117 -49.976 77.389 84.007 1.00 0.00 H new ATOM 0 HE3 MET A 117 -49.061 76.092 84.811 1.00 0.00 H new ATOM 1892 N ASP A 118 -51.405 76.782 90.699 1.00 0.00 N ATOM 1893 CA ASP A 118 -51.838 76.777 92.086 1.00 0.00 C ATOM 1894 C ASP A 118 -53.361 76.636 92.140 1.00 0.00 C ATOM 1895 O ASP A 118 -54.066 77.138 91.266 1.00 0.00 O ATOM 1896 CB ASP A 118 -51.459 78.084 92.786 1.00 0.00 C ATOM 1897 CG ASP A 118 -50.008 78.527 92.586 1.00 0.00 C ATOM 1898 OD1 ASP A 118 -49.768 79.257 91.600 1.00 0.00 O ATOM 1899 OD2 ASP A 118 -49.172 78.126 93.424 1.00 0.00 O ATOM 0 H ASP A 118 -51.105 77.692 90.349 1.00 0.00 H new ATOM 0 HA ASP A 118 -51.348 75.943 92.589 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -52.117 78.875 92.427 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -51.646 77.974 93.854 1.00 0.00 H new ATOM 1904 N PRO A 119 -53.835 75.933 93.203 1.00 0.00 N ATOM 1905 CA PRO A 119 -55.261 75.720 93.382 1.00 0.00 C ATOM 1906 C PRO A 119 -55.949 76.995 93.875 1.00 0.00 C ATOM 1907 O PRO A 119 -56.801 77.551 93.185 1.00 0.00 O ATOM 1908 CB PRO A 119 -55.365 74.569 94.370 1.00 0.00 C ATOM 1909 CG PRO A 119 -54.013 74.488 95.060 1.00 0.00 C ATOM 1910 CD PRO A 119 -53.030 75.324 94.258 1.00 0.00 C ATOM 0 HA PRO A 119 -55.770 75.475 92.450 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -56.162 74.745 95.092 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -55.599 73.635 93.859 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -54.084 74.858 96.083 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -53.675 73.453 95.118 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -52.555 76.082 94.881 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -52.233 74.707 93.842 1.00 0.00 H new ATOM 1918 N THR A 120 -55.552 77.420 95.066 1.00 0.00 N ATOM 1919 CA THR A 120 -56.120 78.619 95.659 1.00 0.00 C ATOM 1920 C THR A 120 -55.234 79.118 96.802 1.00 0.00 C ATOM 1921 O THR A 120 -54.570 78.327 97.470 1.00 0.00 O ATOM 1922 CB THR A 120 -57.551 78.299 96.095 1.00 0.00 C ATOM 1923 OG1 THR A 120 -57.979 79.477 96.773 1.00 0.00 O ATOM 1924 CG2 THR A 120 -57.607 77.210 97.168 1.00 0.00 C ATOM 0 H THR A 120 -54.845 76.956 95.636 1.00 0.00 H new ATOM 0 HA THR A 120 -56.160 79.436 94.939 1.00 0.00 H new ATOM 0 HB THR A 120 -58.132 77.984 95.228 1.00 0.00 H new ATOM 0 HG1 THR A 120 -58.899 79.357 97.088 1.00 0.00 H new ATOM 0 HG21 THR A 120 -58.645 77.022 97.441 1.00 0.00 H new ATOM 0 HG22 THR A 120 -57.162 76.294 96.780 1.00 0.00 H new ATOM 0 HG23 THR A 120 -57.054 77.538 98.048 1.00 0.00 H new ATOM 1932 N THR A 121 -55.252 80.429 96.993 1.00 0.00 N ATOM 1933 CA THR A 121 -54.459 81.044 98.044 1.00 0.00 C ATOM 1934 C THR A 121 -55.015 82.427 98.392 1.00 0.00 C ATOM 1935 O THR A 121 -55.601 83.096 97.542 1.00 0.00 O ATOM 1936 CB THR A 121 -53.002 81.074 97.579 1.00 0.00 C ATOM 1937 OG1 THR A 121 -52.296 81.627 98.687 1.00 0.00 O ATOM 1938 CG2 THR A 121 -52.767 82.080 96.450 1.00 0.00 C ATOM 0 H THR A 121 -55.804 81.083 96.437 1.00 0.00 H new ATOM 0 HA THR A 121 -54.509 80.467 98.967 1.00 0.00 H new ATOM 0 HB THR A 121 -52.707 80.079 97.246 1.00 0.00 H new ATOM 0 HG1 THR A 121 -51.341 81.681 98.472 1.00 0.00 H new ATOM 0 HG21 THR A 121 -51.717 82.061 96.158 1.00 0.00 H new ATOM 0 HG22 THR A 121 -53.387 81.816 95.593 1.00 0.00 H new ATOM 0 HG23 THR A 121 -53.030 83.081 96.794 1.00 0.00 H new ATOM 1946 N ALA A 122 -54.810 82.814 99.642 1.00 0.00 N ATOM 1947 CA ALA A 122 -55.283 84.104 100.113 1.00 0.00 C ATOM 1948 C ALA A 122 -54.840 84.307 101.563 1.00 0.00 C ATOM 1949 O ALA A 122 -54.364 83.373 102.207 1.00 0.00 O ATOM 1950 CB ALA A 122 -56.803 84.181 99.952 1.00 0.00 C ATOM 0 H ALA A 122 -54.322 82.257 100.343 1.00 0.00 H new ATOM 0 HA ALA A 122 -54.851 84.910 99.520 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -57.158 85.149 100.306 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -57.064 84.061 98.901 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -57.271 83.388 100.535 1.00 0.00 H new ATOM 1956 N ALA A 123 -55.012 85.533 102.035 1.00 0.00 N ATOM 1957 CA ALA A 123 -54.636 85.870 103.397 1.00 0.00 C ATOM 1958 C ALA A 123 -55.883 86.288 104.178 1.00 0.00 C ATOM 1959 O ALA A 123 -57.003 86.141 103.691 1.00 0.00 O ATOM 1960 CB ALA A 123 -53.567 86.965 103.376 1.00 0.00 C ATOM 0 H ALA A 123 -55.407 86.305 101.498 1.00 0.00 H new ATOM 0 HA ALA A 123 -54.206 85.004 103.901 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -53.285 87.218 104.398 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -52.691 86.607 102.836 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -53.963 87.851 102.879 1.00 0.00 H new ATOM 1966 N LEU A 124 -55.648 86.801 105.377 1.00 0.00 N ATOM 1967 CA LEU A 124 -56.739 87.241 106.230 1.00 0.00 C ATOM 1968 C LEU A 124 -56.651 88.757 106.422 1.00 0.00 C ATOM 1969 O LEU A 124 -56.899 89.520 105.489 1.00 0.00 O ATOM 1970 CB LEU A 124 -56.744 86.455 107.542 1.00 0.00 C ATOM 1971 CG LEU A 124 -55.377 86.217 108.187 1.00 0.00 C ATOM 1972 CD1 LEU A 124 -55.484 86.217 109.713 1.00 0.00 C ATOM 1973 CD2 LEU A 124 -54.737 84.932 107.657 1.00 0.00 C ATOM 0 H LEU A 124 -54.718 86.922 105.778 1.00 0.00 H new ATOM 0 HA LEU A 124 -57.699 87.034 105.757 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -57.374 86.984 108.257 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -57.212 85.487 107.361 1.00 0.00 H new ATOM 0 HG LEU A 124 -54.720 87.042 107.910 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -54.499 86.046 110.147 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -55.867 87.180 110.051 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -56.163 85.425 110.030 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -53.767 84.786 108.131 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -55.383 84.084 107.884 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -54.605 85.009 106.578 1.00 0.00 H new ATOM 1985 N GLU A 125 -56.297 89.148 107.637 1.00 0.00 N ATOM 1986 CA GLU A 125 -56.173 90.558 107.963 1.00 0.00 C ATOM 1987 C GLU A 125 -55.641 90.729 109.388 1.00 0.00 C ATOM 1988 O GLU A 125 -55.456 89.748 110.106 1.00 0.00 O ATOM 1989 CB GLU A 125 -57.510 91.281 107.787 1.00 0.00 C ATOM 1990 CG GLU A 125 -58.598 90.639 108.650 1.00 0.00 C ATOM 1991 CD GLU A 125 -59.973 91.229 108.327 1.00 0.00 C ATOM 1992 OE1 GLU A 125 -60.487 90.905 107.235 1.00 0.00 O ATOM 1993 OE2 GLU A 125 -60.479 91.990 109.180 1.00 0.00 O ATOM 0 H GLU A 125 -56.092 88.512 108.408 1.00 0.00 H new ATOM 0 HA GLU A 125 -55.460 91.009 107.273 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -57.398 92.331 108.058 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -57.808 91.252 106.739 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -58.612 89.562 108.482 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -58.370 90.795 109.704 1.00 0.00 H new ATOM 2000 N LYS A 126 -55.411 91.982 109.753 1.00 0.00 N ATOM 2001 CA LYS A 126 -54.904 92.293 111.078 1.00 0.00 C ATOM 2002 C LYS A 126 -55.110 93.783 111.361 1.00 0.00 C ATOM 2003 O LYS A 126 -54.802 94.626 110.521 1.00 0.00 O ATOM 2004 CB LYS A 126 -53.450 91.837 111.217 1.00 0.00 C ATOM 2005 CG LYS A 126 -52.515 93.034 111.401 1.00 0.00 C ATOM 2006 CD LYS A 126 -51.088 92.573 111.706 1.00 0.00 C ATOM 2007 CE LYS A 126 -50.662 93.000 113.112 1.00 0.00 C ATOM 2008 NZ LYS A 126 -49.264 92.594 113.376 1.00 0.00 N ATOM 0 H LYS A 126 -55.566 92.793 109.154 1.00 0.00 H new ATOM 0 HA LYS A 126 -55.460 91.743 111.837 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -53.356 91.164 112.069 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -53.156 91.274 110.331 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -52.519 93.645 110.498 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -52.879 93.663 112.213 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -51.026 91.488 111.617 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -50.401 92.993 110.971 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -50.759 94.081 113.215 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -51.324 92.549 113.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -48.991 92.892 114.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -49.182 91.560 113.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -48.635 93.045 112.681 1.00 0.00 H new ATOM 2022 N GLU A 127 -55.630 94.060 112.548 1.00 0.00 N ATOM 2023 CA GLU A 127 -55.882 95.433 112.952 1.00 0.00 C ATOM 2024 C GLU A 127 -56.361 95.480 114.404 1.00 0.00 C ATOM 2025 O GLU A 127 -57.500 95.120 114.698 1.00 0.00 O ATOM 2026 CB GLU A 127 -56.893 96.103 112.019 1.00 0.00 C ATOM 2027 CG GLU A 127 -56.569 97.587 111.835 1.00 0.00 C ATOM 2028 CD GLU A 127 -57.753 98.462 112.250 1.00 0.00 C ATOM 2029 OE1 GLU A 127 -58.874 98.156 111.792 1.00 0.00 O ATOM 2030 OE2 GLU A 127 -57.509 99.419 113.018 1.00 0.00 O ATOM 0 H GLU A 127 -55.884 93.357 113.243 1.00 0.00 H new ATOM 0 HA GLU A 127 -54.947 95.989 112.880 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -56.887 95.603 111.051 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -57.898 95.994 112.427 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -55.693 97.848 112.429 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -56.316 97.781 110.793 1.00 0.00 H new ATOM 2037 N SER A 128 -55.467 95.926 115.275 1.00 0.00 N ATOM 2038 CA SER A 128 -55.784 96.024 116.689 1.00 0.00 C ATOM 2039 C SER A 128 -55.868 97.493 117.106 1.00 0.00 C ATOM 2040 O SER A 128 -55.403 98.374 116.385 1.00 0.00 O ATOM 2041 CB SER A 128 -54.745 95.290 117.539 1.00 0.00 C ATOM 2042 OG SER A 128 -55.262 94.080 118.087 1.00 0.00 O ATOM 0 H SER A 128 -54.523 96.223 115.028 1.00 0.00 H new ATOM 0 HA SER A 128 -56.751 95.550 116.856 1.00 0.00 H new ATOM 0 HB2 SER A 128 -53.870 95.067 116.929 1.00 0.00 H new ATOM 0 HB3 SER A 128 -54.412 95.941 118.347 1.00 0.00 H new ATOM 0 HG SER A 128 -54.568 93.640 118.621 1.00 0.00 H new ATOM 2048 N GLY A 129 -56.465 97.713 118.269 1.00 0.00 N ATOM 2049 CA GLY A 129 -56.615 99.061 118.790 1.00 0.00 C ATOM 2050 C GLY A 129 -57.074 99.036 120.249 1.00 0.00 C ATOM 2051 O GLY A 129 -58.099 98.436 120.571 1.00 0.00 O ATOM 0 H GLY A 129 -56.850 96.980 118.865 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -55.667 99.593 118.712 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -57.338 99.610 118.187 1.00 0.00 H new ATOM 2055 N PRO A 130 -56.273 99.712 121.116 1.00 0.00 N ATOM 2056 CA PRO A 130 -56.587 99.773 122.533 1.00 0.00 C ATOM 2057 C PRO A 130 -57.745 100.738 122.797 1.00 0.00 C ATOM 2058 O PRO A 130 -58.402 101.195 121.863 1.00 0.00 O ATOM 2059 CB PRO A 130 -55.292 100.202 123.204 1.00 0.00 C ATOM 2060 CG PRO A 130 -54.436 100.812 122.107 1.00 0.00 C ATOM 2061 CD PRO A 130 -55.052 100.434 120.770 1.00 0.00 C ATOM 0 HA PRO A 130 -56.929 98.817 122.930 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -55.484 100.925 123.997 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -54.790 99.351 123.663 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -54.393 101.896 122.215 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -53.412 100.444 122.173 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -55.271 101.318 120.171 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -54.376 99.811 120.184 1.00 0.00 H new ATOM 2069 N SER A 131 -57.960 101.018 124.074 1.00 0.00 N ATOM 2070 CA SER A 131 -59.027 101.920 124.473 1.00 0.00 C ATOM 2071 C SER A 131 -58.646 102.643 125.766 1.00 0.00 C ATOM 2072 O SER A 131 -57.634 102.319 126.387 1.00 0.00 O ATOM 2073 CB SER A 131 -60.346 101.166 124.655 1.00 0.00 C ATOM 2074 OG SER A 131 -61.472 102.038 124.601 1.00 0.00 O ATOM 0 H SER A 131 -57.413 100.636 124.846 1.00 0.00 H new ATOM 0 HA SER A 131 -59.166 102.656 123.681 1.00 0.00 H new ATOM 0 HB2 SER A 131 -60.439 100.406 123.879 1.00 0.00 H new ATOM 0 HB3 SER A 131 -60.337 100.645 125.612 1.00 0.00 H new ATOM 0 HG SER A 131 -62.294 101.518 124.720 1.00 0.00 H new ATOM 2080 N SER A 132 -59.476 103.608 126.134 1.00 0.00 N ATOM 2081 CA SER A 132 -59.238 104.379 127.342 1.00 0.00 C ATOM 2082 C SER A 132 -57.987 105.243 127.174 1.00 0.00 C ATOM 2083 O SER A 132 -57.116 104.928 126.365 1.00 0.00 O ATOM 2084 CB SER A 132 -59.092 103.464 128.560 1.00 0.00 C ATOM 2085 OG SER A 132 -59.400 104.140 129.776 1.00 0.00 O ATOM 0 H SER A 132 -60.314 103.873 125.617 1.00 0.00 H new ATOM 0 HA SER A 132 -60.099 105.027 127.509 1.00 0.00 H new ATOM 0 HB2 SER A 132 -59.750 102.603 128.447 1.00 0.00 H new ATOM 0 HB3 SER A 132 -58.072 103.082 128.606 1.00 0.00 H new ATOM 0 HG SER A 132 -59.297 103.522 130.529 1.00 0.00 H new ATOM 2091 N GLY A 133 -57.937 106.314 127.952 1.00 0.00 N ATOM 2092 CA GLY A 133 -56.807 107.226 127.899 1.00 0.00 C ATOM 2093 C GLY A 133 -55.622 106.677 128.697 1.00 0.00 C ATOM 2094 O GLY A 133 -54.793 105.944 128.159 1.00 0.00 O ATOM 0 H GLY A 133 -58.661 106.571 128.623 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -56.510 107.383 126.862 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -57.100 108.197 128.298 1.00 0.00 H new