USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 438 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 31 MET CE :methyl 179:sc= -7.14! (180deg=-7.17!) USER MOD Set 1.2: A 58 LYS NZ :NH3+ -133:sc= -5.21! (180deg=-9.42!) USER MOD Set 2.1: A 18 GLN :FLIP amide:sc= -1.8 F(o=-11,f=-5.3) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= -1.4 F(o=-6.8,f=-5.3) USER MOD Set 2.3: A 41 GLN : amide:sc= -2.06 K(o=-5.3,f=-6.5!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.116 USER MOD Single : A 19 GLN : amide:sc= -0.155 K(o=-0.15,f=-1.3!) USER MOD Single : A 21 MET CE :methyl -146:sc= -3.57! (180deg=-5.25!) USER MOD Single : A 23 GLN : amide:sc= -0.343 K(o=-0.34,f=-2.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.24 F(o=-2.8,f=-1.2) USER MOD Single : A 29 SER OG : rot 140:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.01 K(o=-1,f=-2.6!) USER MOD Single : A 36 SER OG : rot -101:sc= -2.25! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -69:sc= -1.3 USER MOD Single : A 43 ASN : amide:sc= -3.28! C(o=-3.3!,f=-7.1!) USER MOD Single : A 44 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.88) USER MOD Single : A 47 TYR OH : rot 84:sc= -3.31! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 140:sc= 0.207 USER MOD Single : A 52 GLN : amide:sc= -0.0558 X(o=-0.056,f=0) USER MOD Single : A 55 THR OG1 : rot -54:sc= 0.89 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 161:sc= -0.102 (180deg=-0.535) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 14 16.305 1.982 2.336 1.00 0.00 N ATOM 161 CA LEU A 14 15.089 2.680 2.734 1.00 0.00 C ATOM 162 C LEU A 14 15.396 3.744 3.788 1.00 0.00 C ATOM 163 O LEU A 14 16.502 3.798 4.328 1.00 0.00 O ATOM 164 CB LEU A 14 14.056 1.680 3.264 1.00 0.00 C ATOM 165 CG LEU A 14 12.667 2.255 3.564 1.00 0.00 C ATOM 166 CD1 LEU A 14 12.105 3.001 2.364 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.714 1.152 3.976 1.00 0.00 C ATOM 0 HA LEU A 14 14.674 3.180 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.947 0.877 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.448 1.230 4.176 1.00 0.00 H new ATOM 0 HG LEU A 14 12.774 2.962 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.119 3.396 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.771 3.824 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.022 2.319 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.733 1.578 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.629 0.424 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.094 0.659 4.871 1.00 0.00 H new ATOM 179 N SER A 15 14.413 4.591 4.066 1.00 0.00 N ATOM 180 CA SER A 15 14.561 5.666 5.039 1.00 0.00 C ATOM 181 C SER A 15 13.210 5.944 5.688 1.00 0.00 C ATOM 182 O SER A 15 12.275 5.181 5.486 1.00 0.00 O ATOM 183 CB SER A 15 15.100 6.915 4.337 1.00 0.00 C ATOM 184 OG SER A 15 15.723 6.581 3.109 1.00 0.00 O ATOM 0 H SER A 15 13.494 4.553 3.625 1.00 0.00 H new ATOM 0 HA SER A 15 15.267 5.376 5.817 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.284 7.615 4.156 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.815 7.420 4.986 1.00 0.00 H new ATOM 0 HG SER A 15 16.057 7.396 2.680 1.00 0.00 H new ATOM 190 N PRO A 16 13.076 7.021 6.481 1.00 0.00 N ATOM 191 CA PRO A 16 11.805 7.352 7.134 1.00 0.00 C ATOM 192 C PRO A 16 10.629 7.312 6.156 1.00 0.00 C ATOM 193 O PRO A 16 9.488 7.092 6.553 1.00 0.00 O ATOM 194 CB PRO A 16 12.040 8.773 7.647 1.00 0.00 C ATOM 195 CG PRO A 16 13.511 8.842 7.876 1.00 0.00 C ATOM 196 CD PRO A 16 14.137 7.988 6.812 1.00 0.00 C ATOM 0 HA PRO A 16 11.541 6.642 7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.715 9.517 6.920 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.485 8.961 8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.868 9.870 7.811 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.768 8.477 8.870 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.428 8.578 5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.036 7.489 7.174 1.00 0.00 H new ATOM 204 N GLU A 17 10.930 7.509 4.871 1.00 0.00 N ATOM 205 CA GLU A 17 9.937 7.486 3.805 1.00 0.00 C ATOM 206 C GLU A 17 8.914 6.379 4.016 1.00 0.00 C ATOM 207 O GLU A 17 7.755 6.486 3.619 1.00 0.00 O ATOM 208 CB GLU A 17 10.708 7.297 2.477 1.00 0.00 C ATOM 209 CG GLU A 17 10.343 6.074 1.605 1.00 0.00 C ATOM 210 CD GLU A 17 10.521 6.353 0.126 1.00 0.00 C ATOM 211 OE1 GLU A 17 10.000 7.384 -0.351 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.182 5.542 -0.556 1.00 0.00 O ATOM 0 H GLU A 17 11.878 7.690 4.542 1.00 0.00 H new ATOM 0 HA GLU A 17 9.370 8.417 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.564 8.194 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.771 7.237 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.966 5.227 1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.309 5.788 1.797 1.00 0.00 H new ATOM 219 N GLN A 18 9.391 5.305 4.595 1.00 0.00 N ATOM 220 CA GLN A 18 8.594 4.132 4.826 1.00 0.00 C ATOM 221 C GLN A 18 7.393 4.390 5.696 1.00 0.00 C ATOM 222 O GLN A 18 6.276 4.078 5.325 1.00 0.00 O ATOM 223 CB GLN A 18 9.452 3.051 5.455 1.00 0.00 C ATOM 224 CG GLN A 18 8.911 1.672 5.202 1.00 0.00 C ATOM 225 CD GLN A 18 9.365 0.664 6.242 1.00 0.00 C ATOM 226 OE1 GLN A 18 8.557 -0.365 6.465 1.00 0.00 O flip ATOM 227 NE2 GLN A 18 10.428 0.810 6.845 1.00 0.00 N flip ATOM 0 H GLN A 18 10.354 5.223 4.922 1.00 0.00 H new ATOM 0 HA GLN A 18 8.217 3.811 3.855 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.465 3.119 5.060 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.517 3.222 6.530 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.822 1.710 5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.229 1.337 4.215 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.022 1.615 6.645 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.715 0.126 7.545 1.00 0.00 H new ATOM 236 N GLN A 19 7.626 4.927 6.860 1.00 0.00 N ATOM 237 CA GLN A 19 6.533 5.189 7.782 1.00 0.00 C ATOM 238 C GLN A 19 5.780 6.449 7.395 1.00 0.00 C ATOM 239 O GLN A 19 4.623 6.629 7.773 1.00 0.00 O ATOM 240 CB GLN A 19 7.043 5.288 9.221 1.00 0.00 C ATOM 241 CG GLN A 19 6.491 4.209 10.138 1.00 0.00 C ATOM 242 CD GLN A 19 5.615 4.773 11.240 1.00 0.00 C ATOM 243 OE1 GLN A 19 5.046 5.856 11.103 1.00 0.00 O ATOM 244 NE2 GLN A 19 5.502 4.038 12.340 1.00 0.00 N ATOM 0 H GLN A 19 8.550 5.193 7.200 1.00 0.00 H new ATOM 0 HA GLN A 19 5.841 4.349 7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.131 5.228 9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.780 6.266 9.625 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.914 3.497 9.549 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.319 3.657 10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.992 3.146 12.410 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.925 4.365 13.115 1.00 0.00 H new ATOM 253 N GLU A 20 6.424 7.309 6.622 1.00 0.00 N ATOM 254 CA GLU A 20 5.782 8.525 6.174 1.00 0.00 C ATOM 255 C GLU A 20 4.704 8.180 5.159 1.00 0.00 C ATOM 256 O GLU A 20 3.737 8.922 4.988 1.00 0.00 O ATOM 257 CB GLU A 20 6.807 9.480 5.556 1.00 0.00 C ATOM 258 CG GLU A 20 6.503 10.946 5.814 1.00 0.00 C ATOM 259 CD GLU A 20 6.577 11.307 7.285 1.00 0.00 C ATOM 260 OE1 GLU A 20 7.448 10.753 7.989 1.00 0.00 O ATOM 261 OE2 GLU A 20 5.764 12.143 7.732 1.00 0.00 O ATOM 0 H GLU A 20 7.383 7.186 6.296 1.00 0.00 H new ATOM 0 HA GLU A 20 5.328 9.024 7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.795 9.247 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.848 9.310 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.208 11.563 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.507 11.179 5.436 1.00 0.00 H new ATOM 268 N MET A 21 4.889 7.053 4.467 1.00 0.00 N ATOM 269 CA MET A 21 3.946 6.627 3.456 1.00 0.00 C ATOM 270 C MET A 21 3.040 5.500 3.928 1.00 0.00 C ATOM 271 O MET A 21 1.832 5.674 3.979 1.00 0.00 O ATOM 272 CB MET A 21 4.726 6.205 2.228 1.00 0.00 C ATOM 273 CG MET A 21 5.265 7.395 1.471 1.00 0.00 C ATOM 274 SD MET A 21 5.571 7.056 -0.268 1.00 0.00 S ATOM 275 CE MET A 21 5.891 8.710 -0.876 1.00 0.00 C ATOM 0 H MET A 21 5.684 6.427 4.595 1.00 0.00 H new ATOM 0 HA MET A 21 3.287 7.464 3.227 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.552 5.559 2.526 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.083 5.618 1.573 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.557 8.220 1.554 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.193 7.723 1.938 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.515 8.802 -1.895 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.389 9.436 -0.237 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.964 8.900 -0.867 1.00 0.00 H new ATOM 285 N LEU A 22 3.629 4.349 4.244 1.00 0.00 N ATOM 286 CA LEU A 22 2.879 3.163 4.690 1.00 0.00 C ATOM 287 C LEU A 22 1.621 3.517 5.484 1.00 0.00 C ATOM 288 O LEU A 22 0.542 2.993 5.212 1.00 0.00 O ATOM 289 CB LEU A 22 3.769 2.257 5.542 1.00 0.00 C ATOM 290 CG LEU A 22 4.285 1.007 4.832 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.476 0.428 5.579 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.177 -0.028 4.709 1.00 0.00 C ATOM 0 H LEU A 22 4.638 4.206 4.200 1.00 0.00 H new ATOM 0 HA LEU A 22 2.565 2.643 3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.623 2.837 5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.209 1.950 6.425 1.00 0.00 H new ATOM 0 HG LEU A 22 4.609 1.285 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.833 -0.462 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.275 1.168 5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.176 0.162 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.560 -0.913 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.825 -0.304 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.350 0.390 4.135 1.00 0.00 H new ATOM 304 N GLN A 23 1.766 4.391 6.472 1.00 0.00 N ATOM 305 CA GLN A 23 0.636 4.788 7.303 1.00 0.00 C ATOM 306 C GLN A 23 -0.482 5.399 6.464 1.00 0.00 C ATOM 307 O GLN A 23 -1.638 4.989 6.564 1.00 0.00 O ATOM 308 CB GLN A 23 1.078 5.785 8.374 1.00 0.00 C ATOM 309 CG GLN A 23 -0.071 6.326 9.209 1.00 0.00 C ATOM 310 CD GLN A 23 -0.026 7.835 9.357 1.00 0.00 C ATOM 311 OE1 GLN A 23 0.635 8.526 8.582 1.00 0.00 O ATOM 312 NE2 GLN A 23 -0.730 8.353 10.357 1.00 0.00 N ATOM 0 H GLN A 23 2.650 4.837 6.717 1.00 0.00 H new ATOM 0 HA GLN A 23 0.254 3.889 7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.800 5.302 9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.592 6.618 7.894 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.016 6.038 8.749 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.044 5.867 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.264 7.742 10.975 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.737 9.362 10.507 1.00 0.00 H new ATOM 321 N ALA A 24 -0.134 6.386 5.649 1.00 0.00 N ATOM 322 CA ALA A 24 -1.117 7.057 4.809 1.00 0.00 C ATOM 323 C ALA A 24 -1.470 6.235 3.566 1.00 0.00 C ATOM 324 O ALA A 24 -2.374 6.596 2.815 1.00 0.00 O ATOM 325 CB ALA A 24 -0.599 8.427 4.410 1.00 0.00 C ATOM 0 H ALA A 24 0.818 6.739 5.552 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.033 7.168 5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.337 8.926 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.421 9.024 5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.334 8.316 3.857 1.00 0.00 H new ATOM 331 N PHE A 25 -0.766 5.124 3.359 1.00 0.00 N ATOM 332 CA PHE A 25 -1.021 4.260 2.217 1.00 0.00 C ATOM 333 C PHE A 25 -2.070 3.223 2.577 1.00 0.00 C ATOM 334 O PHE A 25 -2.826 2.768 1.725 1.00 0.00 O ATOM 335 CB PHE A 25 0.271 3.565 1.780 1.00 0.00 C ATOM 336 CG PHE A 25 0.139 2.745 0.520 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.675 1.617 0.472 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.842 3.102 -0.619 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.780 0.871 -0.692 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.738 2.358 -1.778 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.075 1.243 -1.811 1.00 0.00 C ATOM 0 H PHE A 25 -0.015 4.804 3.970 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.389 4.869 1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.043 4.320 1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.612 2.917 2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.230 1.320 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.480 3.973 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.415 -0.002 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.293 2.649 -2.658 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.157 0.662 -2.718 1.00 0.00 H new ATOM 351 N SER A 26 -2.111 2.860 3.852 1.00 0.00 N ATOM 352 CA SER A 26 -3.071 1.882 4.331 1.00 0.00 C ATOM 353 C SER A 26 -4.483 2.440 4.202 1.00 0.00 C ATOM 354 O SER A 26 -5.420 1.724 3.856 1.00 0.00 O ATOM 355 CB SER A 26 -2.761 1.502 5.785 1.00 0.00 C ATOM 356 OG SER A 26 -3.687 2.082 6.691 1.00 0.00 O ATOM 0 H SER A 26 -1.489 3.230 4.571 1.00 0.00 H new ATOM 0 HA SER A 26 -2.999 0.980 3.724 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.781 0.417 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.752 1.828 6.038 1.00 0.00 H new ATOM 0 HG SER A 26 -3.459 1.817 7.606 1.00 0.00 H new ATOM 362 N THR A 27 -4.620 3.734 4.474 1.00 0.00 N ATOM 363 CA THR A 27 -5.912 4.399 4.377 1.00 0.00 C ATOM 364 C THR A 27 -6.477 4.290 2.961 1.00 0.00 C ATOM 365 O THR A 27 -7.674 4.471 2.748 1.00 0.00 O ATOM 366 CB THR A 27 -5.783 5.871 4.774 1.00 0.00 C ATOM 367 OG1 THR A 27 -5.263 5.992 6.087 1.00 0.00 O ATOM 368 CG2 THR A 27 -7.097 6.621 4.729 1.00 0.00 C ATOM 0 H THR A 27 -3.853 4.341 4.763 1.00 0.00 H new ATOM 0 HA THR A 27 -6.599 3.903 5.063 1.00 0.00 H new ATOM 0 HB THR A 27 -5.108 6.310 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.186 6.940 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.934 7.658 5.022 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.500 6.589 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.805 6.157 5.416 1.00 0.00 H new ATOM 376 N GLN A 28 -5.608 3.990 1.991 1.00 0.00 N ATOM 377 CA GLN A 28 -6.030 3.858 0.598 1.00 0.00 C ATOM 378 C GLN A 28 -7.269 2.973 0.487 1.00 0.00 C ATOM 379 O GLN A 28 -8.394 3.464 0.584 1.00 0.00 O ATOM 380 CB GLN A 28 -4.893 3.283 -0.257 1.00 0.00 C ATOM 381 CG GLN A 28 -3.812 4.282 -0.688 1.00 0.00 C ATOM 382 CD GLN A 28 -4.121 5.737 -0.358 1.00 0.00 C ATOM 383 OE1 GLN A 28 -3.994 6.095 0.913 1.00 0.00 O flip ATOM 384 NE2 GLN A 28 -4.470 6.523 -1.238 1.00 0.00 N flip ATOM 0 H GLN A 28 -4.612 3.835 2.146 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.281 4.852 0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.415 2.478 0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.327 2.837 -1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.872 4.007 -0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.661 4.192 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.554 6.204 -2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.675 7.494 -1.002 1.00 0.00 H new ATOM 393 N SER A 29 -7.070 1.669 0.302 1.00 0.00 N ATOM 394 CA SER A 29 -8.193 0.756 0.204 1.00 0.00 C ATOM 395 C SER A 29 -8.516 0.146 1.571 1.00 0.00 C ATOM 396 O SER A 29 -9.283 -0.811 1.667 1.00 0.00 O ATOM 397 CB SER A 29 -7.922 -0.354 -0.811 1.00 0.00 C ATOM 398 OG SER A 29 -9.120 -0.767 -1.445 1.00 0.00 O ATOM 0 H SER A 29 -6.152 1.231 0.219 1.00 0.00 H new ATOM 0 HA SER A 29 -9.053 1.331 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.213 -0.001 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.460 -1.205 -0.310 1.00 0.00 H new ATOM 0 HG SER A 29 -8.949 -0.925 -2.397 1.00 0.00 H new ATOM 404 N GLY A 30 -7.912 0.699 2.628 1.00 0.00 N ATOM 405 CA GLY A 30 -8.130 0.187 3.966 1.00 0.00 C ATOM 406 C GLY A 30 -7.075 -0.832 4.362 1.00 0.00 C ATOM 407 O GLY A 30 -7.275 -1.619 5.287 1.00 0.00 O ATOM 0 H GLY A 30 -7.275 1.494 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.121 1.013 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.117 -0.272 4.023 1.00 0.00 H new ATOM 411 N MET A 31 -5.953 -0.825 3.643 1.00 0.00 N ATOM 412 CA MET A 31 -4.861 -1.760 3.895 1.00 0.00 C ATOM 413 C MET A 31 -4.361 -1.707 5.332 1.00 0.00 C ATOM 414 O MET A 31 -4.917 -1.011 6.181 1.00 0.00 O ATOM 415 CB MET A 31 -3.697 -1.459 2.958 1.00 0.00 C ATOM 416 CG MET A 31 -3.683 -2.321 1.718 1.00 0.00 C ATOM 417 SD MET A 31 -3.250 -4.035 2.053 1.00 0.00 S ATOM 418 CE MET A 31 -2.030 -4.318 0.772 1.00 0.00 C ATOM 0 H MET A 31 -5.778 -0.176 2.876 1.00 0.00 H new ATOM 0 HA MET A 31 -5.255 -2.760 3.716 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.741 -0.411 2.662 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.761 -1.598 3.498 1.00 0.00 H new ATOM 0 HG2 MET A 31 -4.666 -2.286 1.248 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.973 -1.906 1.003 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.647 -5.335 0.853 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.491 -4.180 -0.206 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.209 -3.611 0.889 1.00 0.00 H new ATOM 428 N ASN A 32 -3.286 -2.451 5.576 1.00 0.00 N ATOM 429 CA ASN A 32 -2.660 -2.515 6.888 1.00 0.00 C ATOM 430 C ASN A 32 -1.386 -1.677 6.912 1.00 0.00 C ATOM 431 O ASN A 32 -1.112 -0.924 5.977 1.00 0.00 O ATOM 432 CB ASN A 32 -2.337 -3.954 7.235 1.00 0.00 C ATOM 433 CG ASN A 32 -3.001 -4.430 8.503 1.00 0.00 C ATOM 434 OD1 ASN A 32 -3.921 -3.798 9.022 1.00 0.00 O ATOM 435 ND2 ASN A 32 -2.523 -5.557 9.003 1.00 0.00 N ATOM 0 H ASN A 32 -2.827 -3.025 4.869 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.355 -2.115 7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.645 -4.596 6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.257 -4.061 7.337 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.919 -5.943 9.860 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.759 -6.040 8.531 1.00 0.00 H new ATOM 442 N LEU A 33 -0.604 -1.819 7.973 1.00 0.00 N ATOM 443 CA LEU A 33 0.644 -1.077 8.100 1.00 0.00 C ATOM 444 C LEU A 33 1.837 -1.978 7.799 1.00 0.00 C ATOM 445 O LEU A 33 2.909 -1.820 8.384 1.00 0.00 O ATOM 446 CB LEU A 33 0.774 -0.489 9.507 1.00 0.00 C ATOM 447 CG LEU A 33 1.052 1.014 9.557 1.00 0.00 C ATOM 448 CD1 LEU A 33 2.148 1.387 8.570 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.218 1.801 9.268 1.00 0.00 C ATOM 0 H LEU A 33 -0.810 -2.439 8.756 1.00 0.00 H new ATOM 0 HA LEU A 33 0.632 -0.262 7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.146 -0.691 10.055 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.577 -1.009 10.029 1.00 0.00 H new ATOM 0 HG LEU A 33 1.393 1.268 10.561 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.332 2.460 8.619 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.062 0.850 8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.836 1.119 7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.001 2.869 9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.588 1.543 8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.975 1.556 10.013 1.00 0.00 H new ATOM 461 N GLU A 34 1.641 -2.929 6.890 1.00 0.00 N ATOM 462 CA GLU A 34 2.709 -3.862 6.524 1.00 0.00 C ATOM 463 C GLU A 34 2.601 -4.328 5.075 1.00 0.00 C ATOM 464 O GLU A 34 3.616 -4.505 4.401 1.00 0.00 O ATOM 465 CB GLU A 34 2.699 -5.084 7.451 1.00 0.00 C ATOM 466 CG GLU A 34 2.142 -4.810 8.840 1.00 0.00 C ATOM 467 CD GLU A 34 2.542 -5.869 9.849 1.00 0.00 C ATOM 468 OE1 GLU A 34 3.450 -6.669 9.540 1.00 0.00 O ATOM 469 OE2 GLU A 34 1.949 -5.896 10.947 1.00 0.00 O ATOM 0 H GLU A 34 0.761 -3.076 6.395 1.00 0.00 H new ATOM 0 HA GLU A 34 3.648 -3.320 6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.110 -5.874 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.717 -5.460 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.493 -3.836 9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.055 -4.756 8.787 1.00 0.00 H new ATOM 476 N TRP A 35 1.381 -4.518 4.592 1.00 0.00 N ATOM 477 CA TRP A 35 1.184 -4.954 3.217 1.00 0.00 C ATOM 478 C TRP A 35 1.357 -3.769 2.284 1.00 0.00 C ATOM 479 O TRP A 35 1.866 -3.903 1.171 1.00 0.00 O ATOM 480 CB TRP A 35 -0.198 -5.572 3.013 1.00 0.00 C ATOM 481 CG TRP A 35 -0.667 -6.445 4.129 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.017 -6.084 5.394 1.00 0.00 C ATOM 483 CD2 TRP A 35 -0.853 -7.841 4.051 1.00 0.00 C ATOM 484 NE1 TRP A 35 -1.431 -7.180 6.099 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.326 -8.279 5.294 1.00 0.00 C ATOM 486 CE3 TRP A 35 -0.662 -8.754 3.038 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -1.611 -9.609 5.544 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -0.946 -10.084 3.287 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.415 -10.500 4.532 1.00 0.00 C ATOM 0 H TRP A 35 0.522 -4.379 5.125 1.00 0.00 H new ATOM 0 HA TRP A 35 1.927 -5.720 2.994 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.921 -4.769 2.870 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.186 -6.157 2.094 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.974 -5.078 5.784 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.762 -7.178 7.064 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.299 -8.438 2.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.976 -9.930 6.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.802 -10.813 2.503 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.627 -11.546 4.697 1.00 0.00 H new ATOM 500 N SER A 36 0.937 -2.604 2.761 1.00 0.00 N ATOM 501 CA SER A 36 1.051 -1.378 1.992 1.00 0.00 C ATOM 502 C SER A 36 2.516 -1.106 1.652 1.00 0.00 C ATOM 503 O SER A 36 2.819 -0.433 0.667 1.00 0.00 O ATOM 504 CB SER A 36 0.445 -0.209 2.774 1.00 0.00 C ATOM 505 OG SER A 36 0.580 -0.404 4.170 1.00 0.00 O ATOM 0 H SER A 36 0.513 -2.486 3.681 1.00 0.00 H new ATOM 0 HA SER A 36 0.498 -1.488 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.937 0.720 2.484 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.610 -0.105 2.519 1.00 0.00 H new ATOM 0 HG SER A 36 -0.273 -0.713 4.541 1.00 0.00 H new ATOM 511 N GLN A 37 3.424 -1.647 2.470 1.00 0.00 N ATOM 512 CA GLN A 37 4.854 -1.472 2.247 1.00 0.00 C ATOM 513 C GLN A 37 5.259 -2.039 0.889 1.00 0.00 C ATOM 514 O GLN A 37 5.881 -1.353 0.079 1.00 0.00 O ATOM 515 CB GLN A 37 5.656 -2.162 3.356 1.00 0.00 C ATOM 516 CG GLN A 37 7.153 -2.218 3.081 1.00 0.00 C ATOM 517 CD GLN A 37 7.987 -2.217 4.347 1.00 0.00 C ATOM 518 OE1 GLN A 37 9.206 -1.697 4.248 1.00 0.00 O flip ATOM 519 NE2 GLN A 37 7.542 -2.676 5.398 1.00 0.00 N flip ATOM 0 H GLN A 37 3.190 -2.208 3.289 1.00 0.00 H new ATOM 0 HA GLN A 37 5.072 -0.404 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.487 -1.636 4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.281 -3.177 3.487 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.378 -3.116 2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.436 -1.364 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.600 -3.065 5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.115 -2.667 6.241 1.00 0.00 H new ATOM 528 N LYS A 38 4.907 -3.300 0.650 1.00 0.00 N ATOM 529 CA LYS A 38 5.240 -3.958 -0.609 1.00 0.00 C ATOM 530 C LYS A 38 4.814 -3.100 -1.793 1.00 0.00 C ATOM 531 O LYS A 38 5.537 -2.985 -2.783 1.00 0.00 O ATOM 532 CB LYS A 38 4.571 -5.331 -0.688 1.00 0.00 C ATOM 533 CG LYS A 38 5.513 -6.484 -0.386 1.00 0.00 C ATOM 534 CD LYS A 38 5.242 -7.677 -1.289 1.00 0.00 C ATOM 535 CE LYS A 38 5.027 -8.948 -0.483 1.00 0.00 C ATOM 536 NZ LYS A 38 5.641 -10.134 -1.142 1.00 0.00 N ATOM 0 H LYS A 38 4.393 -3.884 1.310 1.00 0.00 H new ATOM 0 HA LYS A 38 6.321 -4.091 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.737 -5.361 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.153 -5.466 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.544 -6.156 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.402 -6.783 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.362 -7.479 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.080 -7.815 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.455 -8.824 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.958 -9.118 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.472 -10.980 -0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.215 -10.268 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.665 -9.983 -1.244 1.00 0.00 H new ATOM 550 N CYS A 39 3.643 -2.492 -1.676 1.00 0.00 N ATOM 551 CA CYS A 39 3.122 -1.633 -2.730 1.00 0.00 C ATOM 552 C CYS A 39 4.033 -0.429 -2.926 1.00 0.00 C ATOM 553 O CYS A 39 4.279 0.006 -4.050 1.00 0.00 O ATOM 554 CB CYS A 39 1.710 -1.165 -2.382 1.00 0.00 C ATOM 555 SG CYS A 39 0.496 -2.501 -2.279 1.00 0.00 S ATOM 0 H CYS A 39 3.035 -2.577 -0.862 1.00 0.00 H new ATOM 0 HA CYS A 39 3.086 -2.205 -3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.738 -0.639 -1.428 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.381 -0.446 -3.133 1.00 0.00 H new ATOM 0 HG CYS A 39 0.283 -2.987 -3.466 1.00 0.00 H new ATOM 561 N LEU A 40 4.525 0.105 -1.815 1.00 0.00 N ATOM 562 CA LEU A 40 5.409 1.264 -1.844 1.00 0.00 C ATOM 563 C LEU A 40 6.869 0.866 -1.944 1.00 0.00 C ATOM 564 O LEU A 40 7.753 1.688 -1.745 1.00 0.00 O ATOM 565 CB LEU A 40 5.211 2.096 -0.595 1.00 0.00 C ATOM 566 CG LEU A 40 3.841 2.736 -0.481 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.268 2.507 0.892 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.948 4.212 -0.779 1.00 0.00 C ATOM 0 H LEU A 40 4.326 -0.248 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 40 5.152 1.842 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.378 1.465 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.968 2.880 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 40 3.168 2.278 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.285 2.972 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.176 1.436 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.928 2.946 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.963 4.672 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.627 4.679 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.331 4.352 -1.790 1.00 0.00 H new ATOM 580 N GLN A 41 7.127 -0.387 -2.247 1.00 0.00 N ATOM 581 CA GLN A 41 8.497 -0.853 -2.372 1.00 0.00 C ATOM 582 C GLN A 41 8.786 -1.287 -3.808 1.00 0.00 C ATOM 583 O GLN A 41 9.935 -1.274 -4.250 1.00 0.00 O ATOM 584 CB GLN A 41 8.773 -1.995 -1.392 1.00 0.00 C ATOM 585 CG GLN A 41 8.970 -1.532 0.043 1.00 0.00 C ATOM 586 CD GLN A 41 9.452 -2.646 0.951 1.00 0.00 C ATOM 587 OE1 GLN A 41 8.841 -3.712 1.024 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.556 -2.404 1.648 1.00 0.00 N ATOM 0 H GLN A 41 6.415 -1.099 -2.411 1.00 0.00 H new ATOM 0 HA GLN A 41 9.164 -0.028 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.943 -2.701 -1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.663 -2.534 -1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.691 -0.715 0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.029 -1.137 0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.030 -1.506 1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.930 -3.116 2.275 1.00 0.00 H new ATOM 597 N ASP A 42 7.732 -1.647 -4.539 1.00 0.00 N ATOM 598 CA ASP A 42 7.869 -2.056 -5.929 1.00 0.00 C ATOM 599 C ASP A 42 7.846 -0.828 -6.833 1.00 0.00 C ATOM 600 O ASP A 42 8.459 -0.814 -7.901 1.00 0.00 O ATOM 601 CB ASP A 42 6.741 -3.014 -6.318 1.00 0.00 C ATOM 602 CG ASP A 42 7.150 -4.468 -6.198 1.00 0.00 C ATOM 603 OD1 ASP A 42 8.342 -4.730 -5.931 1.00 0.00 O ATOM 604 OD2 ASP A 42 6.279 -5.347 -6.371 1.00 0.00 O ATOM 0 H ASP A 42 6.774 -1.662 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 42 8.821 -2.573 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.876 -2.829 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.432 -2.810 -7.343 1.00 0.00 H new ATOM 609 N ASN A 43 7.142 0.207 -6.382 1.00 0.00 N ATOM 610 CA ASN A 43 7.041 1.455 -7.127 1.00 0.00 C ATOM 611 C ASN A 43 8.062 2.479 -6.625 1.00 0.00 C ATOM 612 O ASN A 43 8.282 3.506 -7.266 1.00 0.00 O ATOM 613 CB ASN A 43 5.628 2.029 -7.014 1.00 0.00 C ATOM 614 CG ASN A 43 4.580 1.102 -7.600 1.00 0.00 C ATOM 615 OD1 ASN A 43 3.970 1.407 -8.625 1.00 0.00 O ATOM 616 ND2 ASN A 43 4.365 -0.037 -6.951 1.00 0.00 N ATOM 0 H ASN A 43 6.631 0.204 -5.499 1.00 0.00 H new ATOM 0 HA ASN A 43 7.256 1.240 -8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.398 2.217 -5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.587 2.990 -7.527 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.671 -0.699 -7.299 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.894 -0.249 -6.105 1.00 0.00 H new ATOM 623 N ASN A 44 8.688 2.183 -5.478 1.00 0.00 N ATOM 624 CA ASN A 44 9.700 3.058 -4.879 1.00 0.00 C ATOM 625 C ASN A 44 9.081 4.135 -3.994 1.00 0.00 C ATOM 626 O ASN A 44 9.629 5.232 -3.876 1.00 0.00 O ATOM 627 CB ASN A 44 10.582 3.708 -5.951 1.00 0.00 C ATOM 628 CG ASN A 44 11.862 4.283 -5.376 1.00 0.00 C ATOM 629 OD1 ASN A 44 11.938 5.471 -5.064 1.00 0.00 O ATOM 630 ND2 ASN A 44 12.877 3.438 -5.232 1.00 0.00 N ATOM 0 H ASN A 44 8.507 1.334 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 44 10.322 2.422 -4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.829 2.968 -6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.022 4.500 -6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.764 3.766 -4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.770 2.461 -5.504 1.00 0.00 H new ATOM 637 N TRP A 45 7.960 3.825 -3.344 1.00 0.00 N ATOM 638 CA TRP A 45 7.325 4.781 -2.454 1.00 0.00 C ATOM 639 C TRP A 45 6.839 6.020 -3.191 1.00 0.00 C ATOM 640 O TRP A 45 7.015 7.142 -2.718 1.00 0.00 O ATOM 641 CB TRP A 45 8.300 5.153 -1.338 1.00 0.00 C ATOM 642 CG TRP A 45 8.729 3.945 -0.576 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.776 3.120 -0.868 1.00 0.00 C ATOM 644 CD2 TRP A 45 8.094 3.394 0.584 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.810 2.082 0.023 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.798 2.238 0.923 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.999 3.760 1.371 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.445 1.452 1.996 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.649 2.974 2.439 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.372 1.832 2.744 1.00 0.00 C ATOM 0 H TRP A 45 7.481 2.928 -3.419 1.00 0.00 H new ATOM 0 HA TRP A 45 6.439 4.313 -2.024 1.00 0.00 H new ATOM 0 HB2 TRP A 45 9.173 5.648 -1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.828 5.865 -0.661 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.473 3.265 -1.680 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.483 1.316 0.015 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.435 4.652 1.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 9.003 0.559 2.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.801 3.248 3.049 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.079 1.231 3.592 1.00 0.00 H new ATOM 661 N ASP A 46 6.188 5.813 -4.330 1.00 0.00 N ATOM 662 CA ASP A 46 5.634 6.925 -5.087 1.00 0.00 C ATOM 663 C ASP A 46 4.433 7.453 -4.331 1.00 0.00 C ATOM 664 O ASP A 46 4.193 8.659 -4.258 1.00 0.00 O ATOM 665 CB ASP A 46 5.233 6.485 -6.497 1.00 0.00 C ATOM 666 CG ASP A 46 5.293 7.623 -7.496 1.00 0.00 C ATOM 667 OD1 ASP A 46 4.269 8.319 -7.664 1.00 0.00 O ATOM 668 OD2 ASP A 46 6.361 7.818 -8.112 1.00 0.00 O ATOM 0 H ASP A 46 6.033 4.894 -4.745 1.00 0.00 H new ATOM 0 HA ASP A 46 6.385 7.708 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.893 5.682 -6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.222 6.078 -6.474 1.00 0.00 H new ATOM 673 N TYR A 47 3.708 6.515 -3.736 1.00 0.00 N ATOM 674 CA TYR A 47 2.536 6.798 -2.924 1.00 0.00 C ATOM 675 C TYR A 47 1.258 6.885 -3.740 1.00 0.00 C ATOM 676 O TYR A 47 0.163 6.694 -3.210 1.00 0.00 O ATOM 677 CB TYR A 47 2.702 8.079 -2.117 1.00 0.00 C ATOM 678 CG TYR A 47 1.657 8.201 -1.046 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.425 8.762 -1.339 1.00 0.00 C ATOM 680 CD2 TYR A 47 1.888 7.736 0.247 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.554 8.869 -0.379 1.00 0.00 C ATOM 682 CE2 TYR A 47 0.908 7.839 1.214 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.311 8.408 0.895 1.00 0.00 C ATOM 684 OH TYR A 47 -1.291 8.516 1.850 1.00 0.00 O ATOM 0 H TYR A 47 3.923 5.520 -3.806 1.00 0.00 H new ATOM 0 HA TYR A 47 2.447 5.952 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.693 8.097 -1.662 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.642 8.939 -2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.230 9.122 -2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.841 7.292 0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.508 9.312 -0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.093 7.477 2.215 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.909 7.760 1.771 1.00 0.00 H new ATOM 694 N THR A 48 1.385 7.183 -5.020 1.00 0.00 N ATOM 695 CA THR A 48 0.217 7.299 -5.874 1.00 0.00 C ATOM 696 C THR A 48 0.179 6.173 -6.897 1.00 0.00 C ATOM 697 O THR A 48 -0.834 5.493 -7.047 1.00 0.00 O ATOM 698 CB THR A 48 0.209 8.654 -6.585 1.00 0.00 C ATOM 699 OG1 THR A 48 0.920 9.620 -5.831 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.183 9.194 -6.827 1.00 0.00 C ATOM 0 H THR A 48 2.276 7.348 -5.488 1.00 0.00 H new ATOM 0 HA THR A 48 -0.670 7.224 -5.245 1.00 0.00 H new ATOM 0 HB THR A 48 0.685 8.477 -7.549 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.905 10.479 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.117 10.157 -7.334 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.742 8.494 -7.448 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.695 9.321 -5.873 1.00 0.00 H new ATOM 708 N ARG A 49 1.291 5.981 -7.599 1.00 0.00 N ATOM 709 CA ARG A 49 1.378 4.933 -8.606 1.00 0.00 C ATOM 710 C ARG A 49 1.346 3.557 -7.956 1.00 0.00 C ATOM 711 O ARG A 49 0.867 2.591 -8.551 1.00 0.00 O ATOM 712 CB ARG A 49 2.653 5.092 -9.437 1.00 0.00 C ATOM 713 CG ARG A 49 2.555 4.479 -10.824 1.00 0.00 C ATOM 714 CD ARG A 49 3.130 3.072 -10.853 1.00 0.00 C ATOM 715 NE ARG A 49 3.667 2.726 -12.166 1.00 0.00 N ATOM 716 CZ ARG A 49 2.914 2.547 -13.245 1.00 0.00 C ATOM 717 NH1 ARG A 49 1.596 2.681 -13.166 1.00 0.00 N ATOM 718 NH2 ARG A 49 3.475 2.234 -14.404 1.00 0.00 N ATOM 0 H ARG A 49 2.140 6.535 -7.489 1.00 0.00 H new ATOM 0 HA ARG A 49 0.515 5.025 -9.266 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.884 6.153 -9.533 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.484 4.632 -8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.512 4.453 -11.139 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.088 5.106 -11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.919 2.987 -10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.354 2.358 -10.579 1.00 0.00 H new ATOM 0 HE ARG A 49 4.677 2.616 -12.260 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.160 2.922 -12.276 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.019 2.543 -13.996 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.488 2.130 -14.469 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.894 2.097 -15.231 1.00 0.00 H new ATOM 732 N SER A 50 1.843 3.474 -6.728 1.00 0.00 N ATOM 733 CA SER A 50 1.849 2.213 -6.004 1.00 0.00 C ATOM 734 C SER A 50 0.436 1.861 -5.574 1.00 0.00 C ATOM 735 O SER A 50 -0.141 0.893 -6.060 1.00 0.00 O ATOM 736 CB SER A 50 2.773 2.282 -4.789 1.00 0.00 C ATOM 737 OG SER A 50 2.956 3.619 -4.359 1.00 0.00 O ATOM 0 H SER A 50 2.244 4.260 -6.217 1.00 0.00 H new ATOM 0 HA SER A 50 2.226 1.435 -6.668 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.353 1.690 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.739 1.842 -5.038 1.00 0.00 H new ATOM 0 HG SER A 50 2.951 3.651 -3.380 1.00 0.00 H new ATOM 743 N ALA A 51 -0.126 2.659 -4.669 1.00 0.00 N ATOM 744 CA ALA A 51 -1.484 2.419 -4.202 1.00 0.00 C ATOM 745 C ALA A 51 -2.482 2.455 -5.358 1.00 0.00 C ATOM 746 O ALA A 51 -3.601 1.962 -5.230 1.00 0.00 O ATOM 747 CB ALA A 51 -1.872 3.408 -3.121 1.00 0.00 C ATOM 0 H ALA A 51 0.334 3.468 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.512 1.419 -3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.891 3.205 -2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.191 3.309 -2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.814 4.422 -3.517 1.00 0.00 H new ATOM 753 N GLN A 52 -2.077 3.022 -6.494 1.00 0.00 N ATOM 754 CA GLN A 52 -2.956 3.081 -7.655 1.00 0.00 C ATOM 755 C GLN A 52 -3.071 1.698 -8.281 1.00 0.00 C ATOM 756 O GLN A 52 -4.156 1.263 -8.666 1.00 0.00 O ATOM 757 CB GLN A 52 -2.438 4.094 -8.680 1.00 0.00 C ATOM 758 CG GLN A 52 -3.140 4.021 -10.028 1.00 0.00 C ATOM 759 CD GLN A 52 -3.058 5.324 -10.799 1.00 0.00 C ATOM 760 OE1 GLN A 52 -2.474 5.384 -11.880 1.00 0.00 O ATOM 761 NE2 GLN A 52 -3.645 6.379 -10.243 1.00 0.00 N ATOM 0 H GLN A 52 -1.157 3.441 -6.632 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.944 3.409 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.555 5.099 -8.274 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.370 3.933 -8.828 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.695 3.223 -10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.187 3.759 -9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.119 6.285 -9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.622 7.283 -10.715 1.00 0.00 H new ATOM 770 N ALA A 53 -1.943 1.000 -8.353 1.00 0.00 N ATOM 771 CA ALA A 53 -1.913 -0.348 -8.902 1.00 0.00 C ATOM 772 C ALA A 53 -2.444 -1.348 -7.880 1.00 0.00 C ATOM 773 O ALA A 53 -2.894 -2.439 -8.232 1.00 0.00 O ATOM 774 CB ALA A 53 -0.496 -0.717 -9.306 1.00 0.00 C ATOM 0 H ALA A 53 -1.037 1.347 -8.037 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.551 -0.379 -9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.486 -1.727 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.139 -0.016 -10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.155 -0.673 -8.433 1.00 0.00 H new ATOM 780 N PHE A 54 -2.389 -0.958 -6.610 1.00 0.00 N ATOM 781 CA PHE A 54 -2.857 -1.792 -5.521 1.00 0.00 C ATOM 782 C PHE A 54 -4.382 -1.823 -5.507 1.00 0.00 C ATOM 783 O PHE A 54 -4.986 -2.856 -5.229 1.00 0.00 O ATOM 784 CB PHE A 54 -2.278 -1.253 -4.195 1.00 0.00 C ATOM 785 CG PHE A 54 -3.232 -1.200 -3.032 1.00 0.00 C ATOM 786 CD1 PHE A 54 -3.361 -2.289 -2.194 1.00 0.00 C ATOM 787 CD2 PHE A 54 -3.985 -0.062 -2.775 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.219 -2.250 -1.120 1.00 0.00 C ATOM 789 CE2 PHE A 54 -4.845 -0.015 -1.693 1.00 0.00 C ATOM 790 CZ PHE A 54 -4.957 -1.110 -0.868 1.00 0.00 C ATOM 0 H PHE A 54 -2.018 -0.055 -6.313 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.514 -2.818 -5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.428 -1.874 -3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.894 -0.248 -4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.782 -3.181 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.898 0.795 -3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.316 -3.110 -0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.425 0.875 -1.497 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.625 -1.078 -0.020 1.00 0.00 H new ATOM 800 N THR A 55 -4.995 -0.683 -5.801 1.00 0.00 N ATOM 801 CA THR A 55 -6.445 -0.595 -5.809 1.00 0.00 C ATOM 802 C THR A 55 -7.039 -1.500 -6.881 1.00 0.00 C ATOM 803 O THR A 55 -8.189 -1.924 -6.782 1.00 0.00 O ATOM 804 CB THR A 55 -6.900 0.845 -6.034 1.00 0.00 C ATOM 805 OG1 THR A 55 -6.593 1.269 -7.350 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.268 1.830 -5.074 1.00 0.00 C ATOM 0 H THR A 55 -4.513 0.185 -6.035 1.00 0.00 H new ATOM 0 HA THR A 55 -6.803 -0.928 -4.835 1.00 0.00 H new ATOM 0 HB THR A 55 -7.977 0.837 -5.864 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.640 1.126 -7.526 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.634 2.834 -5.289 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.529 1.560 -4.051 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.184 1.807 -5.190 1.00 0.00 H new ATOM 814 N HIS A 56 -6.246 -1.794 -7.905 1.00 0.00 N ATOM 815 CA HIS A 56 -6.693 -2.652 -8.992 1.00 0.00 C ATOM 816 C HIS A 56 -6.889 -4.083 -8.507 1.00 0.00 C ATOM 817 O HIS A 56 -7.697 -4.831 -9.057 1.00 0.00 O ATOM 818 CB HIS A 56 -5.678 -2.629 -10.134 1.00 0.00 C ATOM 819 CG HIS A 56 -6.189 -3.234 -11.404 1.00 0.00 C ATOM 820 ND1 HIS A 56 -5.899 -4.516 -11.814 1.00 0.00 N ATOM 821 CD2 HIS A 56 -6.991 -2.707 -12.363 1.00 0.00 C ATOM 822 CE1 HIS A 56 -6.517 -4.724 -12.985 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.195 -3.656 -13.362 1.00 0.00 N ATOM 0 H HIS A 56 -5.291 -1.450 -8.004 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.649 -2.273 -9.353 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.383 -1.597 -10.326 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.781 -3.164 -9.822 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.406 -1.710 -12.353 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.467 -5.645 -13.547 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.753 -3.548 -14.209 1.00 0.00 H new ATOM 831 N LEU A 57 -6.136 -4.462 -7.477 1.00 0.00 N ATOM 832 CA LEU A 57 -6.222 -5.809 -6.928 1.00 0.00 C ATOM 833 C LEU A 57 -7.229 -5.891 -5.779 1.00 0.00 C ATOM 834 O LEU A 57 -7.865 -6.926 -5.583 1.00 0.00 O ATOM 835 CB LEU A 57 -4.844 -6.278 -6.455 1.00 0.00 C ATOM 836 CG LEU A 57 -4.704 -7.788 -6.262 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.273 -8.229 -6.524 1.00 0.00 C ATOM 838 CD2 LEU A 57 -5.140 -8.187 -4.862 1.00 0.00 C ATOM 0 H LEU A 57 -5.462 -3.856 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.573 -6.466 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.098 -5.949 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.613 -5.784 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.353 -8.290 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.193 -9.307 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.996 -7.976 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.603 -7.721 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.034 -9.265 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.517 -7.677 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.182 -7.906 -4.712 1.00 0.00 H new ATOM 850 N LYS A 58 -7.378 -4.806 -5.020 1.00 0.00 N ATOM 851 CA LYS A 58 -8.319 -4.796 -3.901 1.00 0.00 C ATOM 852 C LYS A 58 -9.755 -4.828 -4.407 1.00 0.00 C ATOM 853 O LYS A 58 -10.614 -5.494 -3.830 1.00 0.00 O ATOM 854 CB LYS A 58 -8.106 -3.564 -3.013 1.00 0.00 C ATOM 855 CG LYS A 58 -6.669 -3.367 -2.556 1.00 0.00 C ATOM 856 CD LYS A 58 -6.034 -4.674 -2.104 1.00 0.00 C ATOM 857 CE LYS A 58 -5.165 -5.274 -3.195 1.00 0.00 C ATOM 858 NZ LYS A 58 -3.726 -5.287 -2.818 1.00 0.00 N ATOM 0 H LYS A 58 -6.867 -3.934 -5.156 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.134 -5.689 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.427 -2.677 -3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.747 -3.647 -2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.084 -2.942 -3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.644 -2.648 -1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.432 -4.499 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.814 -5.383 -1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.495 -6.292 -3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.293 -4.704 -4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.157 -4.923 -3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.581 -4.687 -1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.433 -6.261 -2.600 1.00 0.00 H new ATOM 872 N ALA A 59 -10.007 -4.105 -5.492 1.00 0.00 N ATOM 873 CA ALA A 59 -11.338 -4.051 -6.084 1.00 0.00 C ATOM 874 C ALA A 59 -11.577 -5.251 -6.994 1.00 0.00 C ATOM 875 O ALA A 59 -12.651 -5.852 -6.976 1.00 0.00 O ATOM 876 CB ALA A 59 -11.520 -2.754 -6.857 1.00 0.00 C ATOM 0 H ALA A 59 -9.306 -3.547 -5.980 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.072 -4.084 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.518 -2.728 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.397 -1.907 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.775 -2.696 -7.651 1.00 0.00 H new ATOM 882 N LYS A 60 -10.567 -5.595 -7.786 1.00 0.00 N ATOM 883 CA LYS A 60 -10.663 -6.727 -8.702 1.00 0.00 C ATOM 884 C LYS A 60 -10.169 -8.005 -8.033 1.00 0.00 C ATOM 885 O LYS A 60 -10.918 -8.970 -7.887 1.00 0.00 O ATOM 886 CB LYS A 60 -9.855 -6.454 -9.970 1.00 0.00 C ATOM 887 CG LYS A 60 -10.049 -5.052 -10.527 1.00 0.00 C ATOM 888 CD LYS A 60 -11.020 -5.047 -11.696 1.00 0.00 C ATOM 889 CE LYS A 60 -10.455 -5.798 -12.892 1.00 0.00 C ATOM 890 NZ LYS A 60 -11.306 -5.634 -14.103 1.00 0.00 N ATOM 0 H LYS A 60 -9.672 -5.106 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.711 -6.860 -8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.797 -6.608 -9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.135 -7.181 -10.733 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.421 -4.395 -9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.088 -4.651 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.962 -5.503 -11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.242 -4.019 -11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.448 -5.438 -13.104 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.370 -6.857 -12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.887 -6.161 -14.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.260 -6.001 -13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.367 -4.626 -14.351 1.00 0.00 H new ATOM 904 N GLY A 61 -8.904 -8.001 -7.625 1.00 0.00 N ATOM 905 CA GLY A 61 -8.332 -9.165 -6.973 1.00 0.00 C ATOM 906 C GLY A 61 -8.992 -9.457 -5.641 1.00 0.00 C ATOM 907 O GLY A 61 -10.219 -9.487 -5.544 1.00 0.00 O ATOM 0 H GLY A 61 -8.265 -7.213 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.435 -10.032 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.265 -9.006 -6.820 1.00 0.00 H new ATOM 911 N GLU A 62 -8.180 -9.673 -4.610 1.00 0.00 N ATOM 912 CA GLU A 62 -8.699 -9.962 -3.278 1.00 0.00 C ATOM 913 C GLU A 62 -7.567 -10.232 -2.291 1.00 0.00 C ATOM 914 O GLU A 62 -7.100 -11.363 -2.163 1.00 0.00 O ATOM 915 CB GLU A 62 -9.643 -11.166 -3.327 1.00 0.00 C ATOM 916 CG GLU A 62 -10.110 -11.630 -1.957 1.00 0.00 C ATOM 917 CD GLU A 62 -11.604 -11.882 -1.904 1.00 0.00 C ATOM 918 OE1 GLU A 62 -12.376 -10.919 -2.096 1.00 0.00 O ATOM 919 OE2 GLU A 62 -12.003 -13.042 -1.670 1.00 0.00 O ATOM 0 H GLU A 62 -7.162 -9.653 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.250 -9.086 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.514 -10.910 -3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.139 -11.992 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.581 -12.544 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.846 -10.878 -1.213 1.00 0.00 H new ATOM 926 N ILE A 63 -7.137 -9.187 -1.589 1.00 0.00 N ATOM 927 CA ILE A 63 -6.074 -9.313 -0.611 1.00 0.00 C ATOM 928 C ILE A 63 -6.627 -9.908 0.686 1.00 0.00 C ATOM 929 O ILE A 63 -7.828 -9.838 0.947 1.00 0.00 O ATOM 930 CB ILE A 63 -5.379 -7.927 -0.373 1.00 0.00 C ATOM 931 CG1 ILE A 63 -3.889 -8.030 -0.711 1.00 0.00 C ATOM 932 CG2 ILE A 63 -5.569 -7.373 1.049 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.098 -6.785 -0.367 1.00 0.00 C ATOM 0 H ILE A 63 -7.513 -8.244 -1.684 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.312 -9.993 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.869 -7.216 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.463 -8.879 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.781 -8.236 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.060 -6.413 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.632 -7.240 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.149 -8.073 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.052 -6.933 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.498 -5.935 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.175 -6.589 0.703 1.00 0.00 H new ATOM 945 N PRO A 64 -5.755 -10.481 1.524 1.00 0.00 N ATOM 946 CA PRO A 64 -6.165 -11.060 2.801 1.00 0.00 C ATOM 947 C PRO A 64 -6.784 -10.004 3.709 1.00 0.00 C ATOM 948 O PRO A 64 -6.358 -8.850 3.710 1.00 0.00 O ATOM 949 CB PRO A 64 -4.852 -11.576 3.401 1.00 0.00 C ATOM 950 CG PRO A 64 -3.911 -11.679 2.255 1.00 0.00 C ATOM 951 CD PRO A 64 -4.306 -10.587 1.309 1.00 0.00 C ATOM 0 HA PRO A 64 -6.920 -11.837 2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.472 -10.894 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.993 -12.544 3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.879 -11.558 2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.981 -12.656 1.777 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.794 -9.652 1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.067 -10.840 0.276 1.00 0.00 H new ATOM 959 N GLU A 65 -7.792 -10.396 4.477 1.00 0.00 N ATOM 960 CA GLU A 65 -8.461 -9.468 5.381 1.00 0.00 C ATOM 961 C GLU A 65 -7.502 -8.983 6.464 1.00 0.00 C ATOM 962 O GLU A 65 -7.615 -7.858 6.948 1.00 0.00 O ATOM 963 CB GLU A 65 -9.682 -10.134 6.004 1.00 0.00 C ATOM 964 CG GLU A 65 -10.329 -9.318 7.112 1.00 0.00 C ATOM 965 CD GLU A 65 -11.733 -9.787 7.438 1.00 0.00 C ATOM 966 OE1 GLU A 65 -11.921 -11.008 7.626 1.00 0.00 O ATOM 967 OE2 GLU A 65 -12.644 -8.936 7.505 1.00 0.00 O ATOM 0 H GLU A 65 -8.164 -11.346 4.493 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.790 -8.601 4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.420 -10.320 5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.390 -11.105 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.713 -9.377 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.360 -8.270 6.815 1.00 0.00 H new ATOM 974 N VAL A 66 -6.539 -9.832 6.817 1.00 0.00 N ATOM 975 CA VAL A 66 -5.531 -9.484 7.822 1.00 0.00 C ATOM 976 C VAL A 66 -4.945 -8.109 7.506 1.00 0.00 C ATOM 977 O VAL A 66 -4.517 -7.376 8.396 1.00 0.00 O ATOM 978 CB VAL A 66 -4.407 -10.558 7.873 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.071 -11.033 6.477 1.00 0.00 C ATOM 980 CG2 VAL A 66 -3.143 -10.049 8.555 1.00 0.00 C ATOM 0 H VAL A 66 -6.434 -10.767 6.423 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.008 -9.452 8.802 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.791 -11.388 8.466 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.283 -11.784 6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.958 -11.468 6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.729 -10.189 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.391 -10.838 8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.758 -9.187 8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.375 -9.758 9.579 1.00 0.00 H new ATOM 990 N ALA A 67 -4.949 -7.776 6.223 1.00 0.00 N ATOM 991 CA ALA A 67 -4.444 -6.501 5.752 1.00 0.00 C ATOM 992 C ALA A 67 -5.471 -5.400 5.989 1.00 0.00 C ATOM 993 O ALA A 67 -5.137 -4.309 6.449 1.00 0.00 O ATOM 994 CB ALA A 67 -4.120 -6.608 4.278 1.00 0.00 C ATOM 0 H ALA A 67 -5.302 -8.383 5.483 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.540 -6.246 6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.740 -5.652 3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.364 -7.379 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.022 -6.871 3.725 1.00 0.00 H new ATOM 1000 N PHE A 68 -6.727 -5.703 5.669 1.00 0.00 N ATOM 1001 CA PHE A 68 -7.820 -4.753 5.842 1.00 0.00 C ATOM 1002 C PHE A 68 -8.395 -4.834 7.254 1.00 0.00 C ATOM 1003 O PHE A 68 -9.610 -4.923 7.434 1.00 0.00 O ATOM 1004 CB PHE A 68 -8.928 -5.027 4.823 1.00 0.00 C ATOM 1005 CG PHE A 68 -8.528 -4.808 3.406 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.312 -3.535 2.924 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -8.386 -5.881 2.550 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -7.960 -3.332 1.609 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.034 -5.688 1.237 1.00 0.00 C ATOM 1010 CZ PHE A 68 -7.820 -4.410 0.761 1.00 0.00 C ATOM 0 H PHE A 68 -7.013 -6.604 5.287 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.422 -3.751 5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.264 -6.058 4.938 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.780 -4.387 5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.420 -2.688 3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.553 -6.883 2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.794 -2.330 1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.925 -6.536 0.577 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.544 -4.255 -0.272 1.00 0.00 H new ATOM 1020 N MET A 69 -7.520 -4.806 8.254 1.00 0.00 N ATOM 1021 CA MET A 69 -7.950 -4.881 9.646 1.00 0.00 C ATOM 1022 C MET A 69 -8.834 -6.102 9.876 1.00 0.00 C ATOM 1023 O MET A 69 -10.057 -6.028 9.754 1.00 0.00 O ATOM 1024 CB MET A 69 -8.704 -3.609 10.037 1.00 0.00 C ATOM 1025 CG MET A 69 -7.802 -2.503 10.558 1.00 0.00 C ATOM 1026 SD MET A 69 -8.708 -0.993 10.949 1.00 0.00 S ATOM 1027 CE MET A 69 -9.772 -1.569 12.269 1.00 0.00 C ATOM 0 H MET A 69 -6.511 -4.732 8.127 1.00 0.00 H new ATOM 0 HA MET A 69 -7.062 -4.975 10.271 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.253 -3.241 9.170 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.442 -3.854 10.801 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.284 -2.853 11.451 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.038 -2.281 9.813 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.140 -0.715 12.838 1.00 0.00 H new ATOM 0 HE2 MET A 69 -10.616 -2.113 11.845 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.209 -2.229 12.928 1.00 0.00 H new ATOM 1037 N LYS A 70 -8.207 -7.226 10.211 1.00 0.00 N ATOM 1038 CA LYS A 70 -8.937 -8.466 10.458 1.00 0.00 C ATOM 1039 C LYS A 70 -9.242 -8.630 11.943 1.00 0.00 C ATOM 1040 O LYS A 70 -8.501 -9.375 12.620 1.00 0.00 O ATOM 1041 CB LYS A 70 -8.128 -9.663 9.954 1.00 0.00 C ATOM 1042 CG LYS A 70 -8.779 -11.007 10.238 1.00 0.00 C ATOM 1043 CD LYS A 70 -8.949 -11.825 8.967 1.00 0.00 C ATOM 1044 CE LYS A 70 -7.628 -12.007 8.232 1.00 0.00 C ATOM 1045 NZ LYS A 70 -7.067 -13.371 8.429 1.00 0.00 N ATOM 1046 OXT LYS A 70 -10.219 -8.014 12.418 1.00 0.00 O ATOM 0 H LYS A 70 -7.196 -7.304 10.318 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.882 -8.420 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.979 -9.562 8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.141 -9.643 10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.171 -11.563 10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.752 -10.850 10.703 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.364 -12.802 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.666 -11.332 8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.777 -11.826 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.911 -11.265 8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.168 -13.455 7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.901 -13.535 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.740 -14.078 8.070 1.00 0.00 H new