USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 581 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 432 SER OG : rot -130:sc= -0.0194 USER MOD Set 1.2: A 433 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 396 HIS : no HD1:sc= -0.59 X(o=-0.42,f=-0.016) USER MOD Set 2.2: A 405 THR OG1 : rot 33:sc= 0.173 USER MOD Set 3.1: A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 390 LYS NZ :NH3+ -169:sc= -0.0255 (180deg=-0.169) USER MOD Set 4.1: A 377 THR OG1 : rot 171:sc= 0.889 USER MOD Set 4.2: A 380 SER OG : rot 91:sc= 0.822 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS :FLIP no HE2:sc= -0.12 F(o=-1.1,f=-0.12) USER MOD Single : A 357 MET CE :methyl -139:sc= -0.125 (180deg=-0.624) USER MOD Single : A 362 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 LYS NZ :NH3+ 165:sc= -0.0271 (180deg=-0.27) USER MOD Single : A 365 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-6.3!) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN :FLIP amide:sc= -0.384 F(o=-1.5,f=-0.38) USER MOD Single : A 372 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 373 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 382 ASN :FLIP amide:sc= -0.784 F(o=-3.5!,f=-0.78) USER MOD Single : A 383 LYS NZ :NH3+ -167:sc= -0.0344 (180deg=-0.232) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.192 K(o=0.19,f=-4.4!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= 0.61 K(o=0.61,f=-3.5!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.65 F(o=-4.5!,f=-0.65) USER MOD Single : A 402 LYS NZ :NH3+ 168:sc= -0.0275 (180deg=-0.202) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 168:sc= -0.0314 (180deg=-0.201) USER MOD Single : A 412 LYS NZ :NH3+ 171:sc= -2.04! (180deg=-2.25!) USER MOD Single : A 413 LYS NZ :NH3+ 164:sc= -0.0804 (180deg=-0.385) USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 420 LYS NZ :NH3+ -140:sc= 1.06 (180deg=-0.0734) USER MOD Single : A 423 LYS NZ :NH3+ -166:sc= -0.0393 (180deg=-0.278) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc=-0.00714 X(o=-0.0071,f=-0.0071) USER MOD Single : A 427 THR OG1 : rot 35:sc= 0.739 USER MOD Single : A 428 ASN :FLIP amide:sc= 0.982 F(o=-2!,f=0.98) USER MOD Single : A 429 THR OG1 : rot 32:sc= 0.803 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 28.254 8.779 3.445 1.00 0.00 N ATOM 2 CA GLY A 354 28.738 8.359 4.790 1.00 0.00 C ATOM 3 C GLY A 354 28.846 9.522 5.756 1.00 0.00 C ATOM 4 O GLY A 354 29.844 9.659 6.464 1.00 0.00 O ATOM 0 HA2 GLY A 354 28.059 7.612 5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 354 29.713 7.882 4.689 1.00 0.00 H new ATOM 10 N SER A 355 27.812 10.361 5.788 1.00 0.00 N ATOM 11 CA SER A 355 27.789 11.521 6.674 1.00 0.00 C ATOM 12 C SER A 355 26.436 12.222 6.615 1.00 0.00 C ATOM 13 O SER A 355 25.913 12.672 7.636 1.00 0.00 O ATOM 14 CB SER A 355 28.899 12.505 6.297 1.00 0.00 C ATOM 15 OG SER A 355 28.886 13.640 7.147 1.00 0.00 O ATOM 0 H SER A 355 26.978 10.258 5.209 1.00 0.00 H new ATOM 0 HA SER A 355 27.956 11.169 7.692 1.00 0.00 H new ATOM 0 HB2 SER A 355 29.867 12.009 6.363 1.00 0.00 H new ATOM 0 HB3 SER A 355 28.773 12.821 5.261 1.00 0.00 H new ATOM 0 HG SER A 355 29.605 14.252 6.886 1.00 0.00 H new ATOM 21 N HIS A 356 25.875 12.317 5.412 1.00 0.00 N ATOM 22 CA HIS A 356 24.584 12.969 5.214 1.00 0.00 C ATOM 23 C HIS A 356 23.475 12.256 5.986 1.00 0.00 C ATOM 24 O HIS A 356 23.461 11.030 6.091 1.00 0.00 O ATOM 25 CB HIS A 356 24.236 13.035 3.721 1.00 0.00 C ATOM 26 CG HIS A 356 24.240 11.709 3.016 1.00 0.00 C ATOM 27 ND1 HIS A 356 24.556 10.463 3.449 1.00 0.00 N flip ATOM 28 CD2 HIS A 356 23.892 11.571 1.689 1.00 0.00 C flip ATOM 29 CE1 HIS A 356 24.394 9.609 2.386 1.00 0.00 C flip ATOM 30 NE2 HIS A 356 23.993 10.301 1.336 1.00 0.00 N flip ATOM 0 H HIS A 356 26.296 11.950 4.558 1.00 0.00 H new ATOM 0 HA HIS A 356 24.664 13.985 5.602 1.00 0.00 H new ATOM 0 HB2 HIS A 356 23.250 13.486 3.611 1.00 0.00 H new ATOM 0 HB3 HIS A 356 24.946 13.697 3.225 1.00 0.00 H new ATOM 0 HD1 HIS A 356 24.858 10.208 4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 356 23.584 12.376 1.038 1.00 0.00 H new ATOM 0 HE1 HIS A 356 24.567 8.543 2.406 1.00 0.00 H new ATOM 39 N MET A 357 22.548 13.041 6.528 1.00 0.00 N ATOM 40 CA MET A 357 21.430 12.498 7.293 1.00 0.00 C ATOM 41 C MET A 357 20.569 11.588 6.425 1.00 0.00 C ATOM 42 O MET A 357 20.123 10.528 6.867 1.00 0.00 O ATOM 43 CB MET A 357 20.577 13.634 7.863 1.00 0.00 C ATOM 44 CG MET A 357 21.350 14.586 8.761 1.00 0.00 C ATOM 45 SD MET A 357 22.007 13.776 10.233 1.00 0.00 S ATOM 46 CE MET A 357 20.493 13.260 11.039 1.00 0.00 C ATOM 0 H MET A 357 22.549 14.058 6.451 1.00 0.00 H new ATOM 0 HA MET A 357 21.836 11.909 8.115 1.00 0.00 H new ATOM 0 HB2 MET A 357 20.142 14.199 7.039 1.00 0.00 H new ATOM 0 HB3 MET A 357 19.749 13.206 8.429 1.00 0.00 H new ATOM 0 HG2 MET A 357 22.172 15.025 8.196 1.00 0.00 H new ATOM 0 HG3 MET A 357 20.697 15.405 9.063 1.00 0.00 H new ATOM 0 HE1 MET A 357 20.576 13.430 12.113 1.00 0.00 H new ATOM 0 HE2 MET A 357 19.656 13.836 10.644 1.00 0.00 H new ATOM 0 HE3 MET A 357 20.324 12.200 10.851 1.00 0.00 H new ATOM 56 N LEU A 358 20.339 12.012 5.186 1.00 0.00 N ATOM 57 CA LEU A 358 19.531 11.243 4.243 1.00 0.00 C ATOM 58 C LEU A 358 20.110 9.846 4.038 1.00 0.00 C ATOM 59 O LEU A 358 21.327 9.673 3.964 1.00 0.00 O ATOM 60 CB LEU A 358 19.436 11.966 2.894 1.00 0.00 C ATOM 61 CG LEU A 358 18.654 13.286 2.901 1.00 0.00 C ATOM 62 CD1 LEU A 358 19.408 14.367 3.664 1.00 0.00 C ATOM 63 CD2 LEU A 358 18.372 13.740 1.478 1.00 0.00 C ATOM 0 H LEU A 358 20.702 12.888 4.810 1.00 0.00 H new ATOM 0 HA LEU A 358 18.531 11.148 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 358 20.447 12.165 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 358 18.971 11.293 2.174 1.00 0.00 H new ATOM 0 HG LEU A 358 17.706 13.114 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 358 18.830 15.291 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 358 19.559 14.047 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 358 20.375 14.538 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 358 17.817 14.678 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 358 19.314 13.888 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 358 17.783 12.981 0.964 1.00 0.00 H new ATOM 75 N GLU A 359 19.228 8.853 3.948 1.00 0.00 N ATOM 76 CA GLU A 359 19.647 7.469 3.753 1.00 0.00 C ATOM 77 C GLU A 359 18.448 6.570 3.485 1.00 0.00 C ATOM 78 O GLU A 359 18.528 5.614 2.712 1.00 0.00 O ATOM 79 CB GLU A 359 20.417 6.965 4.976 1.00 0.00 C ATOM 80 CG GLU A 359 20.940 5.545 4.828 1.00 0.00 C ATOM 81 CD GLU A 359 21.918 5.402 3.679 1.00 0.00 C ATOM 82 OE1 GLU A 359 22.962 6.088 3.700 1.00 0.00 O ATOM 83 OE2 GLU A 359 21.641 4.604 2.759 1.00 0.00 O ATOM 0 H GLU A 359 18.218 8.982 4.007 1.00 0.00 H new ATOM 0 HA GLU A 359 20.304 7.436 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 359 21.256 7.634 5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 359 19.766 7.014 5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 359 21.427 5.243 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 359 20.101 4.867 4.673 1.00 0.00 H new ATOM 90 N VAL A 360 17.341 6.889 4.133 1.00 0.00 N ATOM 91 CA VAL A 360 16.107 6.125 3.984 1.00 0.00 C ATOM 92 C VAL A 360 15.623 6.120 2.536 1.00 0.00 C ATOM 93 O VAL A 360 15.757 7.116 1.823 1.00 0.00 O ATOM 94 CB VAL A 360 14.990 6.680 4.890 1.00 0.00 C ATOM 95 CG1 VAL A 360 15.393 6.582 6.353 1.00 0.00 C ATOM 96 CG2 VAL A 360 14.661 8.118 4.516 1.00 0.00 C ATOM 0 H VAL A 360 17.268 7.679 4.774 1.00 0.00 H new ATOM 0 HA VAL A 360 16.334 5.102 4.284 1.00 0.00 H new ATOM 0 HB VAL A 360 14.094 6.077 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 360 14.593 6.978 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 360 15.573 5.539 6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 360 16.303 7.159 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 360 13.870 8.491 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 360 15.550 8.737 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 360 14.326 8.157 3.479 1.00 0.00 H new ATOM 106 N LEU A 361 15.059 4.992 2.107 1.00 0.00 N ATOM 107 CA LEU A 361 14.554 4.853 0.744 1.00 0.00 C ATOM 108 C LEU A 361 13.537 5.946 0.429 1.00 0.00 C ATOM 109 O LEU A 361 12.644 6.223 1.230 1.00 0.00 O ATOM 110 CB LEU A 361 13.912 3.477 0.548 1.00 0.00 C ATOM 111 CG LEU A 361 14.840 2.282 0.780 1.00 0.00 C ATOM 112 CD1 LEU A 361 14.073 0.977 0.631 1.00 0.00 C ATOM 113 CD2 LEU A 361 16.018 2.320 -0.183 1.00 0.00 C ATOM 0 H LEU A 361 14.941 4.160 2.686 1.00 0.00 H new ATOM 0 HA LEU A 361 15.398 4.952 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 361 13.061 3.392 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 361 13.519 3.419 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 361 15.228 2.342 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 361 14.747 0.137 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 361 13.264 0.945 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 361 13.657 0.912 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 361 16.665 1.462 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 361 15.651 2.286 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 361 16.583 3.239 -0.030 1.00 0.00 H new ATOM 125 N THR A 362 13.679 6.562 -0.741 1.00 0.00 N ATOM 126 CA THR A 362 12.775 7.626 -1.162 1.00 0.00 C ATOM 127 C THR A 362 13.057 8.055 -2.599 1.00 0.00 C ATOM 128 O THR A 362 14.212 8.208 -2.996 1.00 0.00 O ATOM 129 CB THR A 362 12.888 8.856 -0.241 1.00 0.00 C ATOM 130 OG1 THR A 362 12.016 9.895 -0.702 1.00 0.00 O ATOM 131 CG2 THR A 362 14.319 9.372 -0.196 1.00 0.00 C ATOM 0 H THR A 362 14.413 6.342 -1.415 1.00 0.00 H new ATOM 0 HA THR A 362 11.764 7.223 -1.098 1.00 0.00 H new ATOM 0 HB THR A 362 12.596 8.555 0.765 1.00 0.00 H new ATOM 0 HG1 THR A 362 12.092 10.673 -0.110 1.00 0.00 H new ATOM 0 HG21 THR A 362 14.372 10.240 0.461 1.00 0.00 H new ATOM 0 HG22 THR A 362 14.976 8.589 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 362 14.635 9.656 -1.200 1.00 0.00 H new ATOM 139 N GLN A 363 11.993 8.249 -3.373 1.00 0.00 N ATOM 140 CA GLN A 363 12.121 8.663 -4.766 1.00 0.00 C ATOM 141 C GLN A 363 12.816 10.018 -4.866 1.00 0.00 C ATOM 142 O GLN A 363 12.380 10.993 -4.253 1.00 0.00 O ATOM 143 CB GLN A 363 10.740 8.733 -5.421 1.00 0.00 C ATOM 144 CG GLN A 363 10.773 9.145 -6.884 1.00 0.00 C ATOM 145 CD GLN A 363 9.385 9.261 -7.482 1.00 0.00 C ATOM 146 OE1 GLN A 363 8.576 10.081 -7.048 1.00 0.00 O ATOM 147 NE2 GLN A 363 9.102 8.435 -8.481 1.00 0.00 N ATOM 0 H GLN A 363 11.031 8.126 -3.058 1.00 0.00 H new ATOM 0 HA GLN A 363 12.728 7.925 -5.290 1.00 0.00 H new ATOM 0 HB2 GLN A 363 10.260 7.758 -5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 363 10.122 9.440 -4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 363 11.287 10.101 -6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 363 11.351 8.415 -7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 363 9.804 7.771 -8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 363 8.183 8.464 -8.922 1.00 0.00 H new ATOM 156 N LYS A 364 13.894 10.073 -5.647 1.00 0.00 N ATOM 157 CA LYS A 364 14.650 11.310 -5.832 1.00 0.00 C ATOM 158 C LYS A 364 15.345 11.319 -7.191 1.00 0.00 C ATOM 159 O LYS A 364 15.092 10.457 -8.034 1.00 0.00 O ATOM 160 CB LYS A 364 15.695 11.478 -4.724 1.00 0.00 C ATOM 161 CG LYS A 364 15.107 11.547 -3.323 1.00 0.00 C ATOM 162 CD LYS A 364 16.183 11.774 -2.270 1.00 0.00 C ATOM 163 CE LYS A 364 16.860 13.125 -2.442 1.00 0.00 C ATOM 164 NZ LYS A 364 15.893 14.251 -2.322 1.00 0.00 N ATOM 0 H LYS A 364 14.264 9.274 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 364 13.946 12.140 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 364 16.397 10.645 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 364 16.266 12.387 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 364 14.375 12.353 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 364 14.575 10.621 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 364 15.739 11.713 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 364 16.929 10.982 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 364 17.642 13.237 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 364 17.346 13.166 -3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 16.413 15.142 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 15.319 14.309 -3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 15.271 14.089 -1.504 1.00 0.00 H new ATOM 178 N HIS A 365 16.222 12.298 -7.395 1.00 0.00 N ATOM 179 CA HIS A 365 16.956 12.421 -8.651 1.00 0.00 C ATOM 180 C HIS A 365 18.150 11.469 -8.690 1.00 0.00 C ATOM 181 O HIS A 365 19.227 11.831 -9.165 1.00 0.00 O ATOM 182 CB HIS A 365 17.422 13.864 -8.853 1.00 0.00 C ATOM 183 CG HIS A 365 18.226 14.405 -7.710 1.00 0.00 C ATOM 184 ND1 HIS A 365 19.418 13.850 -7.293 1.00 0.00 N ATOM 185 CD2 HIS A 365 18.002 15.462 -6.891 1.00 0.00 C ATOM 186 CE1 HIS A 365 19.890 14.539 -6.269 1.00 0.00 C ATOM 187 NE2 HIS A 365 19.050 15.521 -6.007 1.00 0.00 N ATOM 0 H HIS A 365 16.442 13.018 -6.707 1.00 0.00 H new ATOM 0 HA HIS A 365 16.282 12.149 -9.463 1.00 0.00 H new ATOM 0 HB2 HIS A 365 18.019 13.919 -9.763 1.00 0.00 H new ATOM 0 HB3 HIS A 365 16.550 14.500 -9.005 1.00 0.00 H new ATOM 0 HD2 HIS A 365 17.156 16.133 -6.928 1.00 0.00 H new ATOM 0 HE1 HIS A 365 20.807 14.333 -5.737 1.00 0.00 H new ATOM 0 HE2 HIS A 365 19.161 16.213 -5.266 1.00 0.00 H new ATOM 196 N LYS A 366 17.949 10.250 -8.194 1.00 0.00 N ATOM 197 CA LYS A 366 19.006 9.242 -8.173 1.00 0.00 C ATOM 198 C LYS A 366 18.415 7.835 -8.237 1.00 0.00 C ATOM 199 O LYS A 366 17.479 7.515 -7.503 1.00 0.00 O ATOM 200 CB LYS A 366 19.862 9.386 -6.912 1.00 0.00 C ATOM 201 CG LYS A 366 20.684 10.665 -6.869 1.00 0.00 C ATOM 202 CD LYS A 366 21.488 10.773 -5.584 1.00 0.00 C ATOM 203 CE LYS A 366 22.327 12.041 -5.560 1.00 0.00 C ATOM 204 NZ LYS A 366 23.123 12.161 -4.308 1.00 0.00 N ATOM 0 H LYS A 366 17.062 9.936 -7.801 1.00 0.00 H new ATOM 0 HA LYS A 366 19.635 9.398 -9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 366 19.212 9.354 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 366 20.534 8.531 -6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 366 21.359 10.693 -7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 366 20.022 11.526 -6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 366 20.813 10.766 -4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 366 22.137 9.903 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 366 22.999 12.047 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 366 21.675 12.909 -5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 23.680 13.039 -4.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 22.482 12.181 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 23.764 11.347 -4.225 1.00 0.00 H new ATOM 218 N PRO A 367 18.955 6.972 -9.118 1.00 0.00 N ATOM 219 CA PRO A 367 18.476 5.597 -9.269 1.00 0.00 C ATOM 220 C PRO A 367 18.906 4.697 -8.117 1.00 0.00 C ATOM 221 O PRO A 367 20.063 4.718 -7.696 1.00 0.00 O ATOM 222 CB PRO A 367 19.121 5.143 -10.571 1.00 0.00 C ATOM 223 CG PRO A 367 20.371 5.937 -10.672 1.00 0.00 C ATOM 224 CD PRO A 367 20.079 7.265 -10.031 1.00 0.00 C ATOM 0 HA PRO A 367 17.387 5.544 -9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 367 19.332 4.074 -10.556 1.00 0.00 H new ATOM 0 HB3 PRO A 367 18.466 5.327 -11.422 1.00 0.00 H new ATOM 0 HG2 PRO A 367 21.194 5.433 -10.165 1.00 0.00 H new ATOM 0 HG3 PRO A 367 20.668 6.064 -11.713 1.00 0.00 H new ATOM 0 HD2 PRO A 367 20.945 7.648 -9.491 1.00 0.00 H new ATOM 0 HD3 PRO A 367 19.808 8.017 -10.772 1.00 0.00 H new ATOM 232 N ALA A 368 17.964 3.902 -7.617 1.00 0.00 N ATOM 233 CA ALA A 368 18.234 2.985 -6.515 1.00 0.00 C ATOM 234 C ALA A 368 17.030 2.084 -6.258 1.00 0.00 C ATOM 235 O ALA A 368 16.244 1.812 -7.166 1.00 0.00 O ATOM 236 CB ALA A 368 18.596 3.764 -5.258 1.00 0.00 C ATOM 0 H ALA A 368 17.004 3.875 -7.959 1.00 0.00 H new ATOM 0 HA ALA A 368 19.079 2.354 -6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 368 18.795 3.068 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 368 19.485 4.366 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 368 17.767 4.417 -4.983 1.00 0.00 H new ATOM 242 N GLU A 369 16.890 1.628 -5.019 1.00 0.00 N ATOM 243 CA GLU A 369 15.779 0.760 -4.643 1.00 0.00 C ATOM 244 C GLU A 369 14.520 1.575 -4.356 1.00 0.00 C ATOM 245 O GLU A 369 13.843 1.355 -3.351 1.00 0.00 O ATOM 246 CB GLU A 369 16.150 -0.080 -3.420 1.00 0.00 C ATOM 247 CG GLU A 369 17.329 -1.009 -3.656 1.00 0.00 C ATOM 248 CD GLU A 369 17.664 -1.845 -2.436 1.00 0.00 C ATOM 249 OE1 GLU A 369 16.786 -2.608 -1.980 1.00 0.00 O ATOM 250 OE2 GLU A 369 18.804 -1.738 -1.939 1.00 0.00 O ATOM 0 H GLU A 369 17.532 1.845 -4.257 1.00 0.00 H new ATOM 0 HA GLU A 369 15.573 0.095 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 369 16.383 0.586 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 369 15.285 -0.672 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 369 17.105 -1.669 -4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 369 18.201 -0.419 -3.939 1.00 0.00 H new ATOM 257 N SER A 370 14.210 2.514 -5.243 1.00 0.00 N ATOM 258 CA SER A 370 13.030 3.358 -5.080 1.00 0.00 C ATOM 259 C SER A 370 11.761 2.512 -5.041 1.00 0.00 C ATOM 260 O SER A 370 11.530 1.680 -5.919 1.00 0.00 O ATOM 261 CB SER A 370 12.944 4.375 -6.219 1.00 0.00 C ATOM 262 OG SER A 370 14.091 5.207 -6.246 1.00 0.00 O ATOM 0 H SER A 370 14.757 2.710 -6.081 1.00 0.00 H new ATOM 0 HA SER A 370 13.121 3.891 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 370 12.847 3.853 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 370 12.050 4.986 -6.098 1.00 0.00 H new ATOM 0 HG SER A 370 14.013 5.847 -6.984 1.00 0.00 H new ATOM 268 N GLN A 371 10.944 2.728 -4.015 1.00 0.00 N ATOM 269 CA GLN A 371 9.699 1.985 -3.855 1.00 0.00 C ATOM 270 C GLN A 371 8.656 2.435 -4.880 1.00 0.00 C ATOM 271 O GLN A 371 8.969 2.606 -6.059 1.00 0.00 O ATOM 272 CB GLN A 371 9.163 2.159 -2.432 1.00 0.00 C ATOM 273 CG GLN A 371 10.145 1.723 -1.356 1.00 0.00 C ATOM 274 CD GLN A 371 10.558 0.271 -1.496 1.00 0.00 C ATOM 275 OE1 GLN A 371 11.854 0.037 -1.671 1.00 0.00 O flip ATOM 276 NE2 GLN A 371 9.723 -0.632 -1.449 1.00 0.00 N flip ATOM 0 H GLN A 371 11.122 3.413 -3.281 1.00 0.00 H new ATOM 0 HA GLN A 371 9.904 0.929 -4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 371 8.906 3.206 -2.275 1.00 0.00 H new ATOM 0 HB3 GLN A 371 8.242 1.585 -2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 371 11.032 2.355 -1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 371 9.695 1.876 -0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 371 8.737 -0.408 -1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 371 10.017 -1.604 -1.546 1.00 0.00 H new ATOM 285 N GLN A 372 7.417 2.624 -4.428 1.00 0.00 N ATOM 286 CA GLN A 372 6.336 3.052 -5.310 1.00 0.00 C ATOM 287 C GLN A 372 5.239 3.763 -4.522 1.00 0.00 C ATOM 288 O GLN A 372 4.839 3.311 -3.449 1.00 0.00 O ATOM 289 CB GLN A 372 5.750 1.850 -6.053 1.00 0.00 C ATOM 290 CG GLN A 372 5.221 0.761 -5.132 1.00 0.00 C ATOM 291 CD GLN A 372 4.645 -0.429 -5.884 1.00 0.00 C ATOM 292 OE1 GLN A 372 4.683 -0.378 -7.213 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 4.171 -1.387 -5.274 1.00 0.00 N flip ATOM 0 H GLN A 372 7.139 2.487 -3.456 1.00 0.00 H new ATOM 0 HA GLN A 372 6.749 3.753 -6.036 1.00 0.00 H new ATOM 0 HB2 GLN A 372 4.941 2.192 -6.699 1.00 0.00 H new ATOM 0 HB3 GLN A 372 6.517 1.425 -6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.028 0.418 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 372 4.451 1.182 -4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 372 4.161 -1.388 -4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 372 3.788 -2.180 -5.788 1.00 0.00 H new ATOM 302 N GLN A 373 4.760 4.880 -5.061 1.00 0.00 N ATOM 303 CA GLN A 373 3.711 5.658 -4.411 1.00 0.00 C ATOM 304 C GLN A 373 2.422 4.848 -4.294 1.00 0.00 C ATOM 305 O GLN A 373 2.118 4.017 -5.150 1.00 0.00 O ATOM 306 CB GLN A 373 3.441 6.947 -5.188 1.00 0.00 C ATOM 307 CG GLN A 373 2.798 6.707 -6.542 1.00 0.00 C ATOM 308 CD GLN A 373 2.576 7.987 -7.322 1.00 0.00 C ATOM 309 OE1 GLN A 373 3.522 8.711 -7.633 1.00 0.00 O ATOM 310 NE2 GLN A 373 1.320 8.276 -7.640 1.00 0.00 N ATOM 0 H GLN A 373 5.082 5.267 -5.948 1.00 0.00 H new ATOM 0 HA GLN A 373 4.056 5.910 -3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 373 2.793 7.592 -4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 373 4.380 7.482 -5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 373 3.429 6.036 -7.125 1.00 0.00 H new ATOM 0 HG3 GLN A 373 1.842 6.203 -6.401 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.566 7.648 -7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 373 1.109 9.126 -8.162 1.00 0.00 H new ATOM 319 N ALA A 374 1.670 5.102 -3.229 1.00 0.00 N ATOM 320 CA ALA A 374 0.410 4.406 -2.992 1.00 0.00 C ATOM 321 C ALA A 374 -0.691 4.933 -3.907 1.00 0.00 C ATOM 322 O ALA A 374 -0.807 6.139 -4.120 1.00 0.00 O ATOM 323 CB ALA A 374 -0.002 4.545 -1.533 1.00 0.00 C ATOM 0 H ALA A 374 1.912 5.787 -2.513 1.00 0.00 H new ATOM 0 HA ALA A 374 0.559 3.350 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -0.944 4.021 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 374 0.769 4.113 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 374 -0.126 5.600 -1.289 1.00 0.00 H new ATOM 329 N ALA A 375 -1.496 4.021 -4.444 1.00 0.00 N ATOM 330 CA ALA A 375 -2.591 4.392 -5.336 1.00 0.00 C ATOM 331 C ALA A 375 -3.794 4.891 -4.547 1.00 0.00 C ATOM 332 O ALA A 375 -4.893 4.344 -4.649 1.00 0.00 O ATOM 333 CB ALA A 375 -2.974 3.220 -6.227 1.00 0.00 C ATOM 0 H ALA A 375 -1.411 3.018 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.249 5.208 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.791 3.515 -6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -2.114 2.923 -6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -3.291 2.381 -5.608 1.00 0.00 H new ATOM 339 N GLU A 376 -3.565 5.927 -3.754 1.00 0.00 N ATOM 340 CA GLU A 376 -4.606 6.522 -2.924 1.00 0.00 C ATOM 341 C GLU A 376 -5.557 7.404 -3.716 1.00 0.00 C ATOM 342 O GLU A 376 -5.760 8.575 -3.398 1.00 0.00 O ATOM 343 CB GLU A 376 -3.993 7.320 -1.782 1.00 0.00 C ATOM 344 CG GLU A 376 -2.756 8.126 -2.161 1.00 0.00 C ATOM 345 CD GLU A 376 -3.026 9.196 -3.204 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.296 8.839 -4.370 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.969 10.394 -2.852 1.00 0.00 O ATOM 0 H GLU A 376 -2.655 6.379 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 376 -5.189 5.694 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.747 8.001 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.730 6.634 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.351 8.597 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -1.991 7.447 -2.538 1.00 0.00 H new ATOM 354 N THR A 377 -6.151 6.819 -4.728 1.00 0.00 N ATOM 355 CA THR A 377 -7.108 7.520 -5.567 1.00 0.00 C ATOM 356 C THR A 377 -8.390 6.718 -5.695 1.00 0.00 C ATOM 357 O THR A 377 -8.360 5.488 -5.763 1.00 0.00 O ATOM 358 CB THR A 377 -6.552 7.798 -6.973 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.199 6.569 -7.615 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.338 8.712 -6.907 1.00 0.00 C ATOM 0 H THR A 377 -5.990 5.848 -4.997 1.00 0.00 H new ATOM 0 HA THR A 377 -7.310 8.475 -5.082 1.00 0.00 H new ATOM 0 HB THR A 377 -7.329 8.297 -7.552 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.984 6.741 -8.556 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.964 8.893 -7.915 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.621 9.660 -6.449 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.558 8.239 -6.310 1.00 0.00 H new ATOM 368 N GLU A 378 -9.515 7.418 -5.724 1.00 0.00 N ATOM 369 CA GLU A 378 -10.812 6.767 -5.843 1.00 0.00 C ATOM 370 C GLU A 378 -10.827 5.849 -7.054 1.00 0.00 C ATOM 371 O GLU A 378 -11.419 4.770 -7.029 1.00 0.00 O ATOM 372 CB GLU A 378 -11.923 7.812 -5.966 1.00 0.00 C ATOM 373 CG GLU A 378 -13.322 7.216 -5.966 1.00 0.00 C ATOM 374 CD GLU A 378 -14.405 8.275 -6.059 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.469 9.140 -5.160 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.189 8.239 -7.030 1.00 0.00 O ATOM 0 H GLU A 378 -9.556 8.436 -5.667 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.987 6.174 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.838 8.519 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.778 8.378 -6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.420 6.527 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.465 6.633 -5.056 1.00 0.00 H new ATOM 383 N GLY A 379 -10.171 6.297 -8.114 1.00 0.00 N ATOM 384 CA GLY A 379 -10.109 5.525 -9.337 1.00 0.00 C ATOM 385 C GLY A 379 -9.401 4.196 -9.177 1.00 0.00 C ATOM 386 O GLY A 379 -9.806 3.204 -9.782 1.00 0.00 O ATOM 0 H GLY A 379 -9.677 7.189 -8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.122 5.347 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.598 6.110 -10.101 1.00 0.00 H new ATOM 390 N SER A 380 -8.341 4.163 -8.376 1.00 0.00 N ATOM 391 CA SER A 380 -7.595 2.928 -8.172 1.00 0.00 C ATOM 392 C SER A 380 -8.335 1.985 -7.232 1.00 0.00 C ATOM 393 O SER A 380 -8.456 0.788 -7.498 1.00 0.00 O ATOM 394 CB SER A 380 -6.210 3.236 -7.616 1.00 0.00 C ATOM 395 OG SER A 380 -5.462 4.035 -8.517 1.00 0.00 O ATOM 0 H SER A 380 -7.983 4.968 -7.863 1.00 0.00 H new ATOM 0 HA SER A 380 -7.493 2.434 -9.138 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.305 3.752 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.677 2.305 -7.423 1.00 0.00 H new ATOM 0 HG SER A 380 -5.609 4.982 -8.313 1.00 0.00 H new ATOM 401 N CYS A 381 -8.817 2.538 -6.128 1.00 0.00 N ATOM 402 CA CYS A 381 -9.535 1.768 -5.117 1.00 0.00 C ATOM 403 C CYS A 381 -10.731 1.014 -5.692 1.00 0.00 C ATOM 404 O CYS A 381 -10.904 -0.176 -5.426 1.00 0.00 O ATOM 405 CB CYS A 381 -9.988 2.695 -3.994 1.00 0.00 C ATOM 406 SG CYS A 381 -8.612 3.385 -3.027 1.00 0.00 S ATOM 0 H CYS A 381 -8.723 3.529 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.847 1.018 -4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.569 3.513 -4.420 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.652 2.147 -3.326 1.00 0.00 H new ATOM 411 N ASN A 382 -11.555 1.703 -6.471 1.00 0.00 N ATOM 412 CA ASN A 382 -12.734 1.081 -7.068 1.00 0.00 C ATOM 413 C ASN A 382 -12.346 -0.155 -7.867 1.00 0.00 C ATOM 414 O ASN A 382 -13.101 -1.123 -7.947 1.00 0.00 O ATOM 415 CB ASN A 382 -13.462 2.073 -7.979 1.00 0.00 C ATOM 416 CG ASN A 382 -13.915 3.326 -7.252 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.626 3.406 -5.958 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.522 4.214 -7.849 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.431 2.688 -6.705 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.401 0.783 -6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.803 2.355 -8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.329 1.583 -8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.724 4.114 -8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.823 5.051 -7.349 1.00 0.00 H new ATOM 425 N LYS A 383 -11.166 -0.102 -8.469 1.00 0.00 N ATOM 426 CA LYS A 383 -10.663 -1.197 -9.282 1.00 0.00 C ATOM 427 C LYS A 383 -10.115 -2.338 -8.428 1.00 0.00 C ATOM 428 O LYS A 383 -10.085 -3.487 -8.871 1.00 0.00 O ATOM 429 CB LYS A 383 -9.578 -0.679 -10.225 1.00 0.00 C ATOM 430 CG LYS A 383 -10.024 0.509 -11.063 1.00 0.00 C ATOM 431 CD LYS A 383 -11.185 0.153 -11.980 1.00 0.00 C ATOM 432 CE LYS A 383 -10.800 -0.924 -12.983 1.00 0.00 C ATOM 433 NZ LYS A 383 -9.663 -0.500 -13.846 1.00 0.00 N ATOM 0 H LYS A 383 -10.535 0.697 -8.407 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.497 -1.595 -9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.704 -0.394 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.268 -1.486 -10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.318 1.327 -10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.186 0.867 -11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.029 -0.192 -11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.515 1.045 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.531 -1.836 -12.450 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.661 -1.162 -13.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -9.573 -1.155 -14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.837 0.462 -14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -8.783 -0.510 -13.291 1.00 0.00 H new ATOM 447 N LYS A 384 -9.665 -2.022 -7.215 1.00 0.00 N ATOM 448 CA LYS A 384 -9.103 -3.025 -6.328 1.00 0.00 C ATOM 449 C LYS A 384 -10.124 -4.089 -5.956 1.00 0.00 C ATOM 450 O LYS A 384 -11.229 -4.140 -6.496 1.00 0.00 O ATOM 451 CB LYS A 384 -8.578 -2.357 -5.066 1.00 0.00 C ATOM 452 CG LYS A 384 -7.734 -1.130 -5.356 1.00 0.00 C ATOM 453 CD LYS A 384 -6.589 -1.414 -6.300 1.00 0.00 C ATOM 454 CE LYS A 384 -5.793 -2.569 -5.789 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.381 -2.546 -6.257 1.00 0.00 N ATOM 0 H LYS A 384 -9.681 -1.078 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.287 -3.517 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.420 -2.072 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.984 -3.075 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.367 -0.353 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.337 -0.738 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -6.972 -1.636 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.953 -0.533 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.810 -2.563 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.263 -3.499 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -3.875 -3.369 -5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.359 -2.580 -7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.921 -1.673 -5.929 1.00 0.00 H new ATOM 469 N ASP A 385 -9.734 -4.920 -5.009 1.00 0.00 N ATOM 470 CA ASP A 385 -10.587 -5.991 -4.506 1.00 0.00 C ATOM 471 C ASP A 385 -10.382 -6.133 -3.012 1.00 0.00 C ATOM 472 O ASP A 385 -9.628 -5.376 -2.417 1.00 0.00 O ATOM 473 CB ASP A 385 -10.280 -7.316 -5.209 1.00 0.00 C ATOM 474 CG ASP A 385 -11.205 -8.441 -4.790 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.432 -8.300 -4.972 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.702 -9.465 -4.279 1.00 0.00 O ATOM 0 H ASP A 385 -8.818 -4.876 -4.563 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.627 -5.737 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.356 -7.174 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -9.250 -7.603 -4.997 1.00 0.00 H new ATOM 481 N GLN A 386 -11.051 -7.094 -2.412 1.00 0.00 N ATOM 482 CA GLN A 386 -10.937 -7.313 -0.972 1.00 0.00 C ATOM 483 C GLN A 386 -9.474 -7.378 -0.542 1.00 0.00 C ATOM 484 O GLN A 386 -9.026 -6.589 0.289 1.00 0.00 O ATOM 485 CB GLN A 386 -11.661 -8.598 -0.567 1.00 0.00 C ATOM 486 CG GLN A 386 -11.712 -8.825 0.935 1.00 0.00 C ATOM 487 CD GLN A 386 -12.406 -10.121 1.303 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.968 -11.205 0.916 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.496 -10.017 2.054 1.00 0.00 N ATOM 0 H GLN A 386 -11.680 -7.739 -2.891 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.406 -6.469 -0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.679 -8.568 -0.956 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.165 -9.447 -1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.697 -8.835 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.232 -7.991 1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.824 -9.098 2.353 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.005 -10.856 2.332 1.00 0.00 H new ATOM 498 N ASN A 387 -8.735 -8.313 -1.121 1.00 0.00 N ATOM 499 CA ASN A 387 -7.328 -8.478 -0.811 1.00 0.00 C ATOM 500 C ASN A 387 -6.507 -7.313 -1.349 1.00 0.00 C ATOM 501 O ASN A 387 -5.445 -6.987 -0.816 1.00 0.00 O ATOM 502 CB ASN A 387 -6.823 -9.785 -1.409 1.00 0.00 C ATOM 503 CG ASN A 387 -7.048 -9.866 -2.905 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.181 -9.804 -3.380 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.964 -10.008 -3.656 1.00 0.00 N ATOM 0 H ASN A 387 -9.093 -8.972 -1.813 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.215 -8.501 0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.758 -9.889 -1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.327 -10.621 -0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.051 -10.070 -4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.043 -10.055 -3.219 1.00 0.00 H new ATOM 512 N GLU A 388 -6.998 -6.701 -2.420 1.00 0.00 N ATOM 513 CA GLU A 388 -6.308 -5.584 -3.053 1.00 0.00 C ATOM 514 C GLU A 388 -6.742 -4.252 -2.463 1.00 0.00 C ATOM 515 O GLU A 388 -6.205 -3.205 -2.827 1.00 0.00 O ATOM 516 CB GLU A 388 -6.561 -5.601 -4.560 1.00 0.00 C ATOM 517 CG GLU A 388 -6.096 -6.880 -5.239 1.00 0.00 C ATOM 518 CD GLU A 388 -6.360 -6.879 -6.733 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.898 -5.874 -7.244 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.027 -7.886 -7.394 1.00 0.00 O ATOM 0 H GLU A 388 -7.876 -6.961 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.241 -5.698 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.627 -5.469 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.052 -4.752 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.029 -7.013 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.602 -7.732 -4.785 1.00 0.00 H new ATOM 527 N CYS A 389 -7.711 -4.282 -1.555 1.00 0.00 N ATOM 528 CA CYS A 389 -8.186 -3.056 -0.941 1.00 0.00 C ATOM 529 C CYS A 389 -7.048 -2.431 -0.145 1.00 0.00 C ATOM 530 O CYS A 389 -6.740 -2.859 0.967 1.00 0.00 O ATOM 531 CB CYS A 389 -9.404 -3.332 -0.055 1.00 0.00 C ATOM 532 SG CYS A 389 -10.406 -1.852 0.297 1.00 0.00 S ATOM 0 H CYS A 389 -8.175 -5.131 -1.234 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.504 -2.356 -1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.033 -4.078 -0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.066 -3.763 0.887 1.00 0.00 H new ATOM 537 N LYS A 390 -6.401 -1.443 -0.752 1.00 0.00 N ATOM 538 CA LYS A 390 -5.258 -0.775 -0.142 1.00 0.00 C ATOM 539 C LYS A 390 -5.649 0.092 1.050 1.00 0.00 C ATOM 540 O LYS A 390 -6.818 0.421 1.246 1.00 0.00 O ATOM 541 CB LYS A 390 -4.516 0.045 -1.190 1.00 0.00 C ATOM 542 CG LYS A 390 -3.799 -0.813 -2.226 1.00 0.00 C ATOM 543 CD LYS A 390 -2.596 -1.519 -1.621 1.00 0.00 C ATOM 544 CE LYS A 390 -1.850 -2.344 -2.659 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.707 -3.413 -3.241 1.00 0.00 N ATOM 0 H LYS A 390 -6.651 -1.085 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.597 -1.550 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.224 0.700 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.789 0.686 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.491 -1.551 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.476 -0.188 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.920 -0.781 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.924 -2.167 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.495 -1.690 -3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -0.970 -2.794 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.119 -4.064 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.175 -3.939 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.427 -2.984 -3.856 1.00 0.00 H new ATOM 559 N SER A 391 -4.643 0.430 1.854 1.00 0.00 N ATOM 560 CA SER A 391 -4.834 1.232 3.061 1.00 0.00 C ATOM 561 C SER A 391 -5.635 2.506 2.792 1.00 0.00 C ATOM 562 O SER A 391 -6.648 2.740 3.449 1.00 0.00 O ATOM 563 CB SER A 391 -3.483 1.581 3.688 1.00 0.00 C ATOM 564 OG SER A 391 -3.651 2.327 4.881 1.00 0.00 O ATOM 0 H SER A 391 -3.675 0.156 1.688 1.00 0.00 H new ATOM 0 HA SER A 391 -5.412 0.627 3.759 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.931 0.666 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.886 2.154 2.978 1.00 0.00 H new ATOM 0 HG SER A 391 -2.773 2.536 5.263 1.00 0.00 H new ATOM 570 N PRO A 392 -5.216 3.353 1.827 1.00 0.00 N ATOM 571 CA PRO A 392 -5.935 4.585 1.510 1.00 0.00 C ATOM 572 C PRO A 392 -7.402 4.316 1.229 1.00 0.00 C ATOM 573 O PRO A 392 -8.273 5.123 1.551 1.00 0.00 O ATOM 574 CB PRO A 392 -5.240 5.087 0.237 1.00 0.00 C ATOM 575 CG PRO A 392 -4.457 3.928 -0.266 1.00 0.00 C ATOM 576 CD PRO A 392 -4.036 3.200 0.960 1.00 0.00 C ATOM 0 HA PRO A 392 -5.913 5.300 2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.968 5.421 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.591 5.936 0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.060 3.294 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.596 4.254 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.812 2.153 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.142 3.636 1.407 1.00 0.00 H new ATOM 584 N CYS A 393 -7.654 3.171 0.617 1.00 0.00 N ATOM 585 CA CYS A 393 -9.003 2.763 0.265 1.00 0.00 C ATOM 586 C CYS A 393 -9.825 2.432 1.501 1.00 0.00 C ATOM 587 O CYS A 393 -9.286 2.044 2.539 1.00 0.00 O ATOM 588 CB CYS A 393 -8.954 1.554 -0.657 1.00 0.00 C ATOM 589 SG CYS A 393 -7.851 1.762 -2.089 1.00 0.00 S ATOM 0 H CYS A 393 -6.932 2.501 0.351 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.482 3.597 -0.247 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.629 0.685 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.961 1.341 -1.015 1.00 0.00 H new ATOM 594 N LYS A 394 -11.136 2.573 1.370 1.00 0.00 N ATOM 595 CA LYS A 394 -12.055 2.276 2.460 1.00 0.00 C ATOM 596 C LYS A 394 -12.872 1.036 2.128 1.00 0.00 C ATOM 597 O LYS A 394 -13.622 1.012 1.145 1.00 0.00 O ATOM 598 CB LYS A 394 -12.983 3.464 2.728 1.00 0.00 C ATOM 599 CG LYS A 394 -13.858 3.288 3.961 1.00 0.00 C ATOM 600 CD LYS A 394 -13.027 3.240 5.236 1.00 0.00 C ATOM 601 CE LYS A 394 -12.303 4.554 5.483 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.471 4.508 6.718 1.00 0.00 N ATOM 0 H LYS A 394 -11.590 2.893 0.514 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.472 2.088 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.381 4.365 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.622 3.619 1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.571 4.110 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.437 2.369 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.674 3.015 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.300 2.431 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.669 4.785 4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.032 5.360 5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -10.995 5.423 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.079 4.313 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -10.758 3.756 6.628 1.00 0.00 H new ATOM 616 N TRP A 395 -12.707 0.008 2.951 1.00 0.00 N ATOM 617 CA TRP A 395 -13.406 -1.254 2.760 1.00 0.00 C ATOM 618 C TRP A 395 -14.838 -1.179 3.280 1.00 0.00 C ATOM 619 O TRP A 395 -15.126 -0.465 4.241 1.00 0.00 O ATOM 620 CB TRP A 395 -12.652 -2.384 3.465 1.00 0.00 C ATOM 621 CG TRP A 395 -13.239 -3.740 3.220 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.687 -4.620 4.163 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.426 -4.379 1.951 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.153 -5.762 3.558 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.003 -5.639 2.201 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.170 -4.008 0.626 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.323 -6.528 1.180 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.489 -4.892 -0.386 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.061 -6.139 -0.104 1.00 0.00 C ATOM 0 H TRP A 395 -12.090 0.026 3.763 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.445 -1.458 1.690 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.614 -2.381 3.131 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.643 -2.190 4.537 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.677 -4.444 5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.547 -6.570 4.040 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.731 -3.048 0.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.763 -7.491 1.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.294 -4.617 -1.412 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.300 -6.807 -0.918 1.00 0.00 H new ATOM 640 N HIS A 396 -15.730 -1.931 2.643 1.00 0.00 N ATOM 641 CA HIS A 396 -17.132 -1.963 3.042 1.00 0.00 C ATOM 642 C HIS A 396 -17.682 -3.380 2.941 1.00 0.00 C ATOM 643 O HIS A 396 -17.690 -3.982 1.865 1.00 0.00 O ATOM 644 CB HIS A 396 -17.959 -1.019 2.166 1.00 0.00 C ATOM 645 CG HIS A 396 -17.563 0.420 2.297 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.628 1.115 3.486 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.093 1.296 1.377 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.217 2.356 3.293 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.885 2.492 2.022 1.00 0.00 N ATOM 0 H HIS A 396 -15.506 -2.528 1.847 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.200 -1.632 4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.858 -1.322 1.124 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.012 -1.123 2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.915 1.093 0.331 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.162 3.128 4.046 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.532 3.346 1.589 1.00 0.00 H new ATOM 658 N ASN A 397 -18.139 -3.907 4.072 1.00 0.00 N ATOM 659 CA ASN A 397 -18.692 -5.254 4.128 1.00 0.00 C ATOM 660 C ASN A 397 -20.040 -5.324 3.419 1.00 0.00 C ATOM 661 O ASN A 397 -20.777 -4.338 3.369 1.00 0.00 O ATOM 662 CB ASN A 397 -18.836 -5.708 5.580 1.00 0.00 C ATOM 663 CG ASN A 397 -19.719 -4.780 6.392 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.425 -3.594 6.536 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.808 -5.318 6.927 1.00 0.00 N ATOM 0 H ASN A 397 -18.137 -3.418 4.967 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.002 -5.923 3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.253 -6.715 5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.849 -5.761 6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -21.440 -4.743 7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -21.013 -6.307 6.782 1.00 0.00 H new ATOM 672 N ASP A 398 -20.350 -6.497 2.872 1.00 0.00 N ATOM 673 CA ASP A 398 -21.605 -6.709 2.161 1.00 0.00 C ATOM 674 C ASP A 398 -21.674 -5.845 0.902 1.00 0.00 C ATOM 675 O ASP A 398 -21.060 -6.173 -0.113 1.00 0.00 O ATOM 676 CB ASP A 398 -22.801 -6.419 3.076 1.00 0.00 C ATOM 677 CG ASP A 398 -22.831 -7.323 4.293 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.870 -7.279 5.090 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.816 -8.076 4.449 1.00 0.00 O ATOM 0 H ASP A 398 -19.745 -7.318 2.909 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.647 -7.755 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.763 -5.379 3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.725 -6.543 2.512 1.00 0.00 H new ATOM 684 N ALA A 399 -22.428 -4.748 0.970 1.00 0.00 N ATOM 685 CA ALA A 399 -22.578 -3.848 -0.170 1.00 0.00 C ATOM 686 C ALA A 399 -23.172 -4.585 -1.368 1.00 0.00 C ATOM 687 O ALA A 399 -23.605 -5.732 -1.248 1.00 0.00 O ATOM 688 CB ALA A 399 -21.235 -3.223 -0.538 1.00 0.00 C ATOM 0 H ALA A 399 -22.944 -4.462 1.803 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.265 -3.050 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.366 -2.555 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.852 -2.657 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.527 -4.010 -0.799 1.00 0.00 H new ATOM 694 N GLU A 400 -23.184 -3.925 -2.521 1.00 0.00 N ATOM 695 CA GLU A 400 -23.717 -4.526 -3.738 1.00 0.00 C ATOM 696 C GLU A 400 -22.863 -5.718 -4.148 1.00 0.00 C ATOM 697 O GLU A 400 -23.364 -6.708 -4.683 1.00 0.00 O ATOM 698 CB GLU A 400 -23.765 -3.501 -4.875 1.00 0.00 C ATOM 699 CG GLU A 400 -24.790 -2.388 -4.683 1.00 0.00 C ATOM 700 CD GLU A 400 -24.456 -1.450 -3.536 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.562 -1.873 -2.366 1.00 0.00 O ATOM 702 OE2 GLU A 400 -24.086 -0.290 -3.812 1.00 0.00 O ATOM 0 H GLU A 400 -22.831 -2.975 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.733 -4.865 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -22.777 -3.053 -4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -23.984 -4.022 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.865 -1.811 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.769 -2.833 -4.505 1.00 0.00 H new ATOM 709 N ASN A 401 -21.566 -5.604 -3.888 1.00 0.00 N ATOM 710 CA ASN A 401 -20.608 -6.651 -4.215 1.00 0.00 C ATOM 711 C ASN A 401 -19.246 -6.307 -3.624 1.00 0.00 C ATOM 712 O ASN A 401 -18.224 -6.371 -4.309 1.00 0.00 O ATOM 713 CB ASN A 401 -20.500 -6.825 -5.733 1.00 0.00 C ATOM 714 CG ASN A 401 -20.084 -5.553 -6.458 1.00 0.00 C ATOM 715 OD1 ASN A 401 -19.906 -4.462 -5.719 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -19.925 -5.552 -7.679 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.150 -4.784 -3.445 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.955 -7.591 -3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -19.778 -7.612 -5.951 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.462 -7.159 -6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.071 -6.409 -8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -19.647 -4.694 -8.156 1.00 0.00 H new ATOM 723 N LYS A 402 -19.257 -5.920 -2.348 1.00 0.00 N ATOM 724 CA LYS A 402 -18.040 -5.534 -1.640 1.00 0.00 C ATOM 725 C LYS A 402 -17.515 -4.211 -2.184 1.00 0.00 C ATOM 726 O LYS A 402 -17.245 -4.086 -3.379 1.00 0.00 O ATOM 727 CB LYS A 402 -16.970 -6.621 -1.768 1.00 0.00 C ATOM 728 CG LYS A 402 -17.385 -7.963 -1.184 1.00 0.00 C ATOM 729 CD LYS A 402 -17.598 -7.879 0.320 1.00 0.00 C ATOM 730 CE LYS A 402 -18.033 -9.216 0.895 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.013 -10.277 0.669 1.00 0.00 N ATOM 0 H LYS A 402 -20.103 -5.866 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.280 -5.413 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.725 -6.754 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.061 -6.284 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.304 -8.300 -1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.619 -8.708 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.675 -7.557 0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.353 -7.124 0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.215 -9.109 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.977 -9.517 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.247 -11.112 1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.003 -10.541 -0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.075 -9.921 0.942 1.00 0.00 H new ATOM 745 N LYS A 403 -17.388 -3.217 -1.308 1.00 0.00 N ATOM 746 CA LYS A 403 -16.911 -1.904 -1.723 1.00 0.00 C ATOM 747 C LYS A 403 -15.540 -1.575 -1.139 1.00 0.00 C ATOM 748 O LYS A 403 -15.227 -1.937 -0.006 1.00 0.00 O ATOM 749 CB LYS A 403 -17.909 -0.813 -1.328 1.00 0.00 C ATOM 750 CG LYS A 403 -19.241 -0.906 -2.056 1.00 0.00 C ATOM 751 CD LYS A 403 -20.094 0.333 -1.823 1.00 0.00 C ATOM 752 CE LYS A 403 -20.330 0.591 -0.342 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.149 1.812 -0.116 1.00 0.00 N ATOM 0 H LYS A 403 -17.607 -3.296 -0.315 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.816 -1.936 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.088 -0.869 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.464 0.162 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.065 -1.031 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.781 -1.790 -1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.605 1.199 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -21.053 0.214 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.831 -0.270 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.371 0.698 0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.287 1.953 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.659 2.638 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.074 1.700 -0.578 1.00 0.00 H new ATOM 767 N CYS A 404 -14.742 -0.864 -1.926 1.00 0.00 N ATOM 768 CA CYS A 404 -13.404 -0.440 -1.520 1.00 0.00 C ATOM 769 C CYS A 404 -13.140 0.954 -2.076 1.00 0.00 C ATOM 770 O CYS A 404 -12.269 1.144 -2.921 1.00 0.00 O ATOM 771 CB CYS A 404 -12.340 -1.421 -2.030 1.00 0.00 C ATOM 772 SG CYS A 404 -10.638 -0.995 -1.535 1.00 0.00 S ATOM 0 H CYS A 404 -15.003 -0.564 -2.865 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.349 -0.424 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.575 -2.419 -1.661 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.391 -1.463 -3.118 1.00 0.00 H new ATOM 777 N THR A 405 -13.935 1.921 -1.618 1.00 0.00 N ATOM 778 CA THR A 405 -13.827 3.301 -2.092 1.00 0.00 C ATOM 779 C THR A 405 -12.750 4.090 -1.356 1.00 0.00 C ATOM 780 O THR A 405 -12.686 4.077 -0.131 1.00 0.00 O ATOM 781 CB THR A 405 -15.168 4.042 -1.949 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.551 4.103 -0.569 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.258 3.347 -2.751 1.00 0.00 C ATOM 0 H THR A 405 -14.662 1.774 -0.918 1.00 0.00 H new ATOM 0 HA THR A 405 -13.548 3.236 -3.144 1.00 0.00 H new ATOM 0 HB THR A 405 -15.041 5.053 -2.336 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.749 4.160 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.197 3.889 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.978 3.328 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.381 2.326 -2.389 1.00 0.00 H new ATOM 791 N LEU A 406 -11.919 4.791 -2.122 1.00 0.00 N ATOM 792 CA LEU A 406 -10.847 5.603 -1.563 1.00 0.00 C ATOM 793 C LEU A 406 -11.398 6.603 -0.554 1.00 0.00 C ATOM 794 O LEU A 406 -12.481 7.159 -0.739 1.00 0.00 O ATOM 795 CB LEU A 406 -10.099 6.328 -2.686 1.00 0.00 C ATOM 796 CG LEU A 406 -8.813 7.062 -2.281 1.00 0.00 C ATOM 797 CD1 LEU A 406 -9.121 8.400 -1.632 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.969 6.199 -1.356 1.00 0.00 C ATOM 0 H LEU A 406 -11.970 4.811 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.149 4.948 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.849 5.599 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.778 7.051 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.242 7.256 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -8.189 8.894 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.671 9.027 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.724 8.241 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.063 6.739 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.538 5.965 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.700 5.274 -1.866 1.00 0.00 H new ATOM 810 N ASP A 407 -10.640 6.821 0.509 1.00 0.00 N ATOM 811 CA ASP A 407 -11.037 7.751 1.559 1.00 0.00 C ATOM 812 C ASP A 407 -10.029 8.888 1.669 1.00 0.00 C ATOM 813 O ASP A 407 -8.820 8.658 1.662 1.00 0.00 O ATOM 814 CB ASP A 407 -11.155 7.018 2.898 1.00 0.00 C ATOM 815 CG ASP A 407 -11.714 7.900 3.997 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.845 8.407 3.835 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.027 8.078 5.024 1.00 0.00 O ATOM 0 H ASP A 407 -9.742 6.365 0.669 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.009 8.171 1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.797 6.146 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.172 6.652 3.195 1.00 0.00 H new ATOM 822 N LYS A 408 -10.529 10.116 1.759 1.00 0.00 N ATOM 823 CA LYS A 408 -9.660 11.285 1.857 1.00 0.00 C ATOM 824 C LYS A 408 -8.908 11.306 3.185 1.00 0.00 C ATOM 825 O LYS A 408 -7.685 11.438 3.209 1.00 0.00 O ATOM 826 CB LYS A 408 -10.465 12.579 1.705 1.00 0.00 C ATOM 827 CG LYS A 408 -11.095 12.774 0.332 1.00 0.00 C ATOM 828 CD LYS A 408 -12.207 11.772 0.067 1.00 0.00 C ATOM 829 CE LYS A 408 -12.879 12.028 -1.273 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.914 11.946 -2.404 1.00 0.00 N ATOM 0 H LYS A 408 -11.527 10.328 1.766 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.936 11.218 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.253 12.592 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.811 13.425 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.493 13.786 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.328 12.675 -0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.799 10.761 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.948 11.830 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.677 11.301 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.344 13.014 -1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.435 11.923 -3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.288 12.777 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.344 11.081 -2.312 1.00 0.00 H new ATOM 844 N GLU A 409 -9.645 11.181 4.287 1.00 0.00 N ATOM 845 CA GLU A 409 -9.044 11.191 5.614 1.00 0.00 C ATOM 846 C GLU A 409 -7.994 10.096 5.741 1.00 0.00 C ATOM 847 O GLU A 409 -6.901 10.325 6.261 1.00 0.00 O ATOM 848 CB GLU A 409 -10.121 11.010 6.685 1.00 0.00 C ATOM 849 CG GLU A 409 -9.573 11.042 8.101 1.00 0.00 C ATOM 850 CD GLU A 409 -10.657 10.896 9.151 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.349 9.857 9.149 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.812 11.822 9.975 1.00 0.00 O ATOM 0 H GLU A 409 -10.659 11.072 4.285 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.557 12.155 5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.869 11.795 6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.630 10.060 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.845 10.240 8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.043 11.981 8.260 1.00 0.00 H new ATOM 859 N GLU A 410 -8.330 8.906 5.257 1.00 0.00 N ATOM 860 CA GLU A 410 -7.413 7.774 5.310 1.00 0.00 C ATOM 861 C GLU A 410 -6.187 8.051 4.452 1.00 0.00 C ATOM 862 O GLU A 410 -5.054 7.826 4.876 1.00 0.00 O ATOM 863 CB GLU A 410 -8.112 6.499 4.836 1.00 0.00 C ATOM 864 CG GLU A 410 -7.260 5.248 4.975 1.00 0.00 C ATOM 865 CD GLU A 410 -6.938 4.911 6.419 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.273 5.730 7.088 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.351 3.827 6.882 1.00 0.00 O ATOM 0 H GLU A 410 -9.230 8.700 4.824 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.095 7.632 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.032 6.366 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.398 6.619 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.781 4.407 4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.330 5.384 4.423 1.00 0.00 H new ATOM 874 N ALA A 411 -6.426 8.554 3.244 1.00 0.00 N ATOM 875 CA ALA A 411 -5.349 8.881 2.321 1.00 0.00 C ATOM 876 C ALA A 411 -4.363 9.840 2.967 1.00 0.00 C ATOM 877 O ALA A 411 -3.154 9.730 2.772 1.00 0.00 O ATOM 878 CB ALA A 411 -5.913 9.486 1.046 1.00 0.00 C ATOM 0 H ALA A 411 -7.361 8.744 2.883 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.821 7.961 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.096 9.726 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.585 8.771 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.463 10.396 1.287 1.00 0.00 H new ATOM 884 N LYS A 412 -4.891 10.778 3.742 1.00 0.00 N ATOM 885 CA LYS A 412 -4.064 11.757 4.430 1.00 0.00 C ATOM 886 C LYS A 412 -3.144 11.070 5.435 1.00 0.00 C ATOM 887 O LYS A 412 -1.946 11.343 5.482 1.00 0.00 O ATOM 888 CB LYS A 412 -4.948 12.781 5.142 1.00 0.00 C ATOM 889 CG LYS A 412 -5.779 13.630 4.195 1.00 0.00 C ATOM 890 CD LYS A 412 -6.762 14.507 4.954 1.00 0.00 C ATOM 891 CE LYS A 412 -7.512 15.441 4.016 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.274 14.692 2.979 1.00 0.00 N ATOM 0 H LYS A 412 -5.892 10.881 3.910 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.448 12.271 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.615 12.258 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.318 13.435 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.121 14.256 3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.323 12.983 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.474 13.879 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.227 15.092 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -8.198 16.061 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.805 16.114 3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -8.889 15.349 2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.610 14.241 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.856 13.962 3.436 1.00 0.00 H new ATOM 906 N LYS A 413 -3.719 10.180 6.239 1.00 0.00 N ATOM 907 CA LYS A 413 -2.967 9.455 7.247 1.00 0.00 C ATOM 908 C LYS A 413 -1.827 8.661 6.613 1.00 0.00 C ATOM 909 O LYS A 413 -0.687 8.721 7.074 1.00 0.00 O ATOM 910 CB LYS A 413 -3.903 8.518 8.006 1.00 0.00 C ATOM 911 CG LYS A 413 -3.327 8.028 9.316 1.00 0.00 C ATOM 912 CD LYS A 413 -4.328 7.187 10.091 1.00 0.00 C ATOM 913 CE LYS A 413 -3.766 6.750 11.433 1.00 0.00 C ATOM 914 NZ LYS A 413 -3.391 7.914 12.283 1.00 0.00 N ATOM 0 H LYS A 413 -4.711 9.946 6.208 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.531 10.174 7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.843 9.034 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.136 7.660 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -2.430 7.439 9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -3.023 8.882 9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -5.242 7.759 10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -4.598 6.309 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -4.505 6.142 11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -2.891 6.121 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -3.272 7.601 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -2.498 8.322 11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.141 8.633 12.237 1.00 0.00 H new ATOM 928 N VAL A 414 -2.138 7.925 5.548 1.00 0.00 N ATOM 929 CA VAL A 414 -1.134 7.130 4.850 1.00 0.00 C ATOM 930 C VAL A 414 -0.091 8.031 4.199 1.00 0.00 C ATOM 931 O VAL A 414 1.109 7.761 4.264 1.00 0.00 O ATOM 932 CB VAL A 414 -1.773 6.235 3.770 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.713 5.401 3.064 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.842 5.342 4.381 1.00 0.00 C ATOM 0 H VAL A 414 -3.076 7.864 5.151 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.654 6.494 5.594 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.247 6.878 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.186 4.777 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.013 6.061 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.205 4.767 3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.282 4.717 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.393 4.708 5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.618 5.960 4.832 1.00 0.00 H new ATOM 944 N ALA A 415 -0.561 9.108 3.578 1.00 0.00 N ATOM 945 CA ALA A 415 0.319 10.063 2.918 1.00 0.00 C ATOM 946 C ALA A 415 1.320 10.644 3.907 1.00 0.00 C ATOM 947 O ALA A 415 2.484 10.867 3.572 1.00 0.00 O ATOM 948 CB ALA A 415 -0.494 11.175 2.271 1.00 0.00 C ATOM 0 H ALA A 415 -1.552 9.341 3.519 1.00 0.00 H new ATOM 0 HA ALA A 415 0.872 9.538 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.178 11.880 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -1.171 10.748 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -1.072 11.695 3.035 1.00 0.00 H new ATOM 954 N ASP A 416 0.859 10.884 5.132 1.00 0.00 N ATOM 955 CA ASP A 416 1.716 11.434 6.178 1.00 0.00 C ATOM 956 C ASP A 416 2.602 10.349 6.787 1.00 0.00 C ATOM 957 O ASP A 416 2.893 10.369 7.984 1.00 0.00 O ATOM 958 CB ASP A 416 0.872 12.096 7.269 1.00 0.00 C ATOM 959 CG ASP A 416 0.121 13.313 6.763 1.00 0.00 C ATOM 960 OD1 ASP A 416 0.777 14.240 6.242 1.00 0.00 O ATOM 961 OD2 ASP A 416 -1.120 13.344 6.898 1.00 0.00 O ATOM 0 H ASP A 416 -0.102 10.706 5.424 1.00 0.00 H new ATOM 0 HA ASP A 416 2.359 12.187 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.160 11.371 7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 416 1.518 12.390 8.096 1.00 0.00 H new ATOM 966 N GLU A 417 3.028 9.406 5.953 1.00 0.00 N ATOM 967 CA GLU A 417 3.881 8.308 6.393 1.00 0.00 C ATOM 968 C GLU A 417 4.863 7.921 5.292 1.00 0.00 C ATOM 969 O GLU A 417 6.055 7.744 5.542 1.00 0.00 O ATOM 970 CB GLU A 417 3.028 7.097 6.771 1.00 0.00 C ATOM 971 CG GLU A 417 2.018 7.380 7.870 1.00 0.00 C ATOM 972 CD GLU A 417 2.668 7.640 9.218 1.00 0.00 C ATOM 973 OE1 GLU A 417 3.912 7.567 9.304 1.00 0.00 O ATOM 974 OE2 GLU A 417 1.929 7.912 10.188 1.00 0.00 O ATOM 0 H GLU A 417 2.794 9.381 4.961 1.00 0.00 H new ATOM 0 HA GLU A 417 4.443 8.638 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.499 6.746 5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 417 3.684 6.288 7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.416 8.245 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.337 6.533 7.958 1.00 0.00 H new ATOM 981 N THR A 418 4.350 7.797 4.071 1.00 0.00 N ATOM 982 CA THR A 418 5.175 7.438 2.923 1.00 0.00 C ATOM 983 C THR A 418 5.942 8.652 2.401 1.00 0.00 C ATOM 984 O THR A 418 5.981 8.901 1.196 1.00 0.00 O ATOM 985 CB THR A 418 4.324 6.854 1.780 1.00 0.00 C ATOM 986 OG1 THR A 418 3.361 7.819 1.343 1.00 0.00 O ATOM 987 CG2 THR A 418 3.612 5.586 2.227 1.00 0.00 C ATOM 0 H THR A 418 3.364 7.940 3.852 1.00 0.00 H new ATOM 0 HA THR A 418 5.881 6.680 3.263 1.00 0.00 H new ATOM 0 HB THR A 418 4.989 6.605 0.953 1.00 0.00 H new ATOM 0 HG1 THR A 418 2.825 7.440 0.615 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.018 5.193 1.402 1.00 0.00 H new ATOM 0 HG22 THR A 418 4.349 4.842 2.530 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.959 5.813 3.069 1.00 0.00 H new ATOM 995 N ALA A 419 6.545 9.405 3.316 1.00 0.00 N ATOM 996 CA ALA A 419 7.302 10.595 2.951 1.00 0.00 C ATOM 997 C ALA A 419 8.091 11.128 4.141 1.00 0.00 C ATOM 998 O ALA A 419 9.187 11.666 3.978 1.00 0.00 O ATOM 999 CB ALA A 419 6.373 11.672 2.411 1.00 0.00 C ATOM 0 H ALA A 419 6.523 9.211 4.317 1.00 0.00 H new ATOM 0 HA ALA A 419 8.009 10.317 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 419 6.955 12.554 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 419 5.856 11.297 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 419 5.642 11.938 3.174 1.00 0.00 H new ATOM 1005 N LYS A 420 7.524 10.978 5.336 1.00 0.00 N ATOM 1006 CA LYS A 420 8.169 11.447 6.560 1.00 0.00 C ATOM 1007 C LYS A 420 8.339 12.963 6.541 1.00 0.00 C ATOM 1008 O LYS A 420 9.443 13.476 6.727 1.00 0.00 O ATOM 1009 CB LYS A 420 9.527 10.761 6.746 1.00 0.00 C ATOM 1010 CG LYS A 420 9.428 9.258 6.966 1.00 0.00 C ATOM 1011 CD LYS A 420 8.678 8.931 8.248 1.00 0.00 C ATOM 1012 CE LYS A 420 8.586 7.431 8.478 1.00 0.00 C ATOM 1013 NZ LYS A 420 7.845 6.745 7.385 1.00 0.00 N ATOM 0 H LYS A 420 6.617 10.534 5.483 1.00 0.00 H new ATOM 0 HA LYS A 420 7.527 11.187 7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 420 10.143 10.951 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 420 10.038 11.211 7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 420 8.920 8.798 6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 420 10.429 8.829 7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 420 9.182 9.399 9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 420 7.675 9.354 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 420 9.590 7.013 8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 420 8.089 7.240 9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 7.234 6.007 7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 7.260 7.437 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 8.522 6.311 6.726 1.00 0.00 H new ATOM 1027 N ASP A 421 7.232 13.671 6.314 1.00 0.00 N ATOM 1028 CA ASP A 421 7.235 15.132 6.267 1.00 0.00 C ATOM 1029 C ASP A 421 8.030 15.647 5.070 1.00 0.00 C ATOM 1030 O ASP A 421 9.166 15.233 4.837 1.00 0.00 O ATOM 1031 CB ASP A 421 7.807 15.712 7.564 1.00 0.00 C ATOM 1032 CG ASP A 421 7.858 17.227 7.548 1.00 0.00 C ATOM 1033 OD1 ASP A 421 6.789 17.855 7.398 1.00 0.00 O ATOM 1034 OD2 ASP A 421 8.967 17.785 7.687 1.00 0.00 O ATOM 0 H ASP A 421 6.315 13.251 6.159 1.00 0.00 H new ATOM 0 HA ASP A 421 6.201 15.460 6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 421 7.199 15.381 8.406 1.00 0.00 H new ATOM 0 HB3 ASP A 421 8.811 15.319 7.722 1.00 0.00 H new ATOM 1039 N GLY A 422 7.420 16.555 4.315 1.00 0.00 N ATOM 1040 CA GLY A 422 8.077 17.119 3.150 1.00 0.00 C ATOM 1041 C GLY A 422 9.219 18.043 3.517 1.00 0.00 C ATOM 1042 O GLY A 422 10.294 17.980 2.921 1.00 0.00 O ATOM 0 H GLY A 422 6.480 16.911 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 422 8.455 16.311 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 422 7.347 17.668 2.556 1.00 0.00 H new ATOM 1046 N LYS A 423 8.982 18.907 4.500 1.00 0.00 N ATOM 1047 CA LYS A 423 9.995 19.856 4.952 1.00 0.00 C ATOM 1048 C LYS A 423 10.450 20.742 3.792 1.00 0.00 C ATOM 1049 O LYS A 423 11.642 21.008 3.626 1.00 0.00 O ATOM 1050 CB LYS A 423 11.189 19.106 5.557 1.00 0.00 C ATOM 1051 CG LYS A 423 12.191 20.008 6.262 1.00 0.00 C ATOM 1052 CD LYS A 423 13.359 19.212 6.822 1.00 0.00 C ATOM 1053 CE LYS A 423 14.371 20.114 7.511 1.00 0.00 C ATOM 1054 NZ LYS A 423 14.938 21.127 6.579 1.00 0.00 N ATOM 0 H LYS A 423 8.095 18.970 5.000 1.00 0.00 H new ATOM 0 HA LYS A 423 9.559 20.494 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.819 18.366 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 423 11.701 18.560 4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 423 12.562 20.758 5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 423 11.694 20.544 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 423 12.989 18.471 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 423 13.848 18.665 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 423 13.894 20.620 8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 423 15.178 19.507 7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 15.781 21.560 7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 15.203 20.666 5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 14.227 21.863 6.392 1.00 0.00 H new ATOM 1068 N THR A 424 9.488 21.195 2.990 1.00 0.00 N ATOM 1069 CA THR A 424 9.777 22.052 1.842 1.00 0.00 C ATOM 1070 C THR A 424 8.495 22.468 1.127 1.00 0.00 C ATOM 1071 O THR A 424 8.359 23.612 0.693 1.00 0.00 O ATOM 1072 CB THR A 424 10.714 21.356 0.832 1.00 0.00 C ATOM 1073 OG1 THR A 424 10.919 22.201 -0.307 1.00 0.00 O ATOM 1074 CG2 THR A 424 10.139 20.021 0.380 1.00 0.00 C ATOM 0 H THR A 424 8.498 20.982 3.115 1.00 0.00 H new ATOM 0 HA THR A 424 10.277 22.938 2.233 1.00 0.00 H new ATOM 0 HB THR A 424 11.667 21.171 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 424 11.516 21.754 -0.943 1.00 0.00 H new ATOM 0 HG21 THR A 424 10.820 19.553 -0.331 1.00 0.00 H new ATOM 0 HG22 THR A 424 10.012 19.368 1.244 1.00 0.00 H new ATOM 0 HG23 THR A 424 9.173 20.184 -0.097 1.00 0.00 H new ATOM 1082 N GLY A 425 7.558 21.530 1.006 1.00 0.00 N ATOM 1083 CA GLY A 425 6.299 21.813 0.340 1.00 0.00 C ATOM 1084 C GLY A 425 5.536 22.953 0.989 1.00 0.00 C ATOM 1085 O GLY A 425 4.987 23.812 0.297 1.00 0.00 O ATOM 0 H GLY A 425 7.650 20.577 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 425 6.492 22.059 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 425 5.679 20.916 0.347 1.00 0.00 H new ATOM 1089 N ASN A 426 5.501 22.962 2.318 1.00 0.00 N ATOM 1090 CA ASN A 426 4.800 24.002 3.060 1.00 0.00 C ATOM 1091 C ASN A 426 5.108 23.906 4.551 1.00 0.00 C ATOM 1092 O ASN A 426 5.170 22.812 5.112 1.00 0.00 O ATOM 1093 CB ASN A 426 3.290 23.897 2.835 1.00 0.00 C ATOM 1094 CG ASN A 426 2.519 24.962 3.589 1.00 0.00 C ATOM 1095 OD1 ASN A 426 2.716 26.159 3.375 1.00 0.00 O ATOM 1096 ND2 ASN A 426 1.635 24.532 4.482 1.00 0.00 N ATOM 0 H ASN A 426 5.951 22.259 2.903 1.00 0.00 H new ATOM 0 HA ASN A 426 5.147 24.968 2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 426 3.077 23.984 1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 426 2.946 22.912 3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 426 1.088 25.203 5.022 1.00 0.00 H new ATOM 0 HD22 ASN A 426 1.503 23.531 4.628 1.00 0.00 H new ATOM 1103 N THR A 427 5.301 25.058 5.186 1.00 0.00 N ATOM 1104 CA THR A 427 5.603 25.107 6.611 1.00 0.00 C ATOM 1105 C THR A 427 4.517 24.414 7.429 1.00 0.00 C ATOM 1106 O THR A 427 3.324 24.632 7.208 1.00 0.00 O ATOM 1107 CB THR A 427 5.760 26.557 7.105 1.00 0.00 C ATOM 1108 OG1 THR A 427 5.984 26.572 8.519 1.00 0.00 O ATOM 1109 CG2 THR A 427 4.524 27.380 6.771 1.00 0.00 C ATOM 0 H THR A 427 5.253 25.971 4.734 1.00 0.00 H new ATOM 0 HA THR A 427 6.548 24.582 6.751 1.00 0.00 H new ATOM 0 HB THR A 427 6.618 26.999 6.598 1.00 0.00 H new ATOM 0 HG1 THR A 427 6.523 25.794 8.773 1.00 0.00 H new ATOM 0 HG21 THR A 427 4.658 28.400 7.130 1.00 0.00 H new ATOM 0 HG22 THR A 427 4.375 27.392 5.691 1.00 0.00 H new ATOM 0 HG23 THR A 427 3.652 26.938 7.252 1.00 0.00 H new ATOM 1117 N ASN A 428 4.938 23.580 8.374 1.00 0.00 N ATOM 1118 CA ASN A 428 4.011 22.858 9.225 1.00 0.00 C ATOM 1119 C ASN A 428 3.447 23.776 10.298 1.00 0.00 C ATOM 1120 O ASN A 428 4.171 24.602 10.853 1.00 0.00 O ATOM 1121 CB ASN A 428 4.711 21.662 9.873 1.00 0.00 C ATOM 1122 CG ASN A 428 5.249 20.665 8.859 1.00 0.00 C ATOM 1123 OD1 ASN A 428 4.992 20.910 7.578 1.00 0.00 O flip ATOM 1124 ND2 ASN A 428 5.886 19.678 9.227 1.00 0.00 N flip ATOM 0 H ASN A 428 5.921 23.390 8.567 1.00 0.00 H new ATOM 0 HA ASN A 428 3.188 22.495 8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 428 5.533 22.021 10.492 1.00 0.00 H new ATOM 0 HB3 ASN A 428 4.011 21.154 10.537 1.00 0.00 H new ATOM 0 HD21 ASN A 428 6.062 19.526 10.220 1.00 0.00 H new ATOM 0 HD22 ASN A 428 6.238 19.012 8.539 1.00 0.00 H new ATOM 1131 N THR A 429 2.159 23.631 10.591 1.00 0.00 N ATOM 1132 CA THR A 429 1.525 24.460 11.606 1.00 0.00 C ATOM 1133 C THR A 429 2.299 24.369 12.914 1.00 0.00 C ATOM 1134 O THR A 429 2.314 23.325 13.567 1.00 0.00 O ATOM 1135 CB THR A 429 0.065 24.037 11.852 1.00 0.00 C ATOM 1136 OG1 THR A 429 0.016 22.675 12.291 1.00 0.00 O ATOM 1137 CG2 THR A 429 -0.765 24.197 10.587 1.00 0.00 C ATOM 0 H THR A 429 1.540 22.954 10.145 1.00 0.00 H new ATOM 0 HA THR A 429 1.530 25.487 11.241 1.00 0.00 H new ATOM 0 HB THR A 429 -0.351 24.682 12.625 1.00 0.00 H new ATOM 0 HG1 THR A 429 0.823 22.468 12.807 1.00 0.00 H new ATOM 0 HG21 THR A 429 -1.793 23.892 10.785 1.00 0.00 H new ATOM 0 HG22 THR A 429 -0.750 25.240 10.272 1.00 0.00 H new ATOM 0 HG23 THR A 429 -0.347 23.573 9.797 1.00 0.00 H new ATOM 1145 N THR A 430 2.950 25.468 13.284 1.00 0.00 N ATOM 1146 CA THR A 430 3.739 25.514 14.508 1.00 0.00 C ATOM 1147 C THR A 430 4.785 24.396 14.515 1.00 0.00 C ATOM 1148 O THR A 430 4.932 23.673 15.501 1.00 0.00 O ATOM 1149 CB THR A 430 2.843 25.396 15.759 1.00 0.00 C ATOM 1150 OG1 THR A 430 1.740 26.303 15.657 1.00 0.00 O ATOM 1151 CG2 THR A 430 3.628 25.707 17.026 1.00 0.00 C ATOM 0 H THR A 430 2.946 26.339 12.752 1.00 0.00 H new ATOM 0 HA THR A 430 4.244 26.479 14.537 1.00 0.00 H new ATOM 0 HB THR A 430 2.478 24.371 15.815 1.00 0.00 H new ATOM 0 HG1 THR A 430 1.175 26.221 16.453 1.00 0.00 H new ATOM 0 HG21 THR A 430 2.972 25.616 17.892 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.456 25.005 17.123 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.019 26.723 16.972 1.00 0.00 H new ATOM 1159 N GLY A 431 5.510 24.253 13.403 1.00 0.00 N ATOM 1160 CA GLY A 431 6.522 23.217 13.311 1.00 0.00 C ATOM 1161 C GLY A 431 7.639 23.577 12.352 1.00 0.00 C ATOM 1162 O GLY A 431 8.191 24.676 12.421 1.00 0.00 O ATOM 0 H GLY A 431 5.413 24.834 12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 431 6.942 23.036 14.300 1.00 0.00 H new ATOM 0 HA3 GLY A 431 6.056 22.287 12.987 1.00 0.00 H new ATOM 1166 N SER A 432 7.976 22.650 11.459 1.00 0.00 N ATOM 1167 CA SER A 432 9.038 22.875 10.484 1.00 0.00 C ATOM 1168 C SER A 432 8.785 24.149 9.687 1.00 0.00 C ATOM 1169 O SER A 432 7.663 24.405 9.247 1.00 0.00 O ATOM 1170 CB SER A 432 9.152 21.681 9.533 1.00 0.00 C ATOM 1171 OG SER A 432 10.180 21.885 8.580 1.00 0.00 O ATOM 0 H SER A 432 7.529 21.736 11.391 1.00 0.00 H new ATOM 0 HA SER A 432 9.975 22.987 11.029 1.00 0.00 H new ATOM 0 HB2 SER A 432 9.356 20.775 10.104 1.00 0.00 H new ATOM 0 HB3 SER A 432 8.202 21.528 9.021 1.00 0.00 H new ATOM 0 HG SER A 432 9.833 21.705 7.681 1.00 0.00 H new ATOM 1177 N SER A 433 9.837 24.944 9.508 1.00 0.00 N ATOM 1178 CA SER A 433 9.743 26.197 8.766 1.00 0.00 C ATOM 1179 C SER A 433 8.748 27.149 9.426 1.00 0.00 C ATOM 1180 O SER A 433 8.298 28.096 8.748 1.00 0.00 O ATOM 1181 CB SER A 433 9.332 25.930 7.316 1.00 0.00 C ATOM 1182 OG SER A 433 10.271 25.090 6.667 1.00 0.00 O ATOM 1183 OXT SER A 433 8.431 26.942 10.617 1.00 0.00 O ATOM 0 H SER A 433 10.769 24.740 9.869 1.00 0.00 H new ATOM 0 HA SER A 433 10.726 26.668 8.774 1.00 0.00 H new ATOM 0 HB2 SER A 433 8.347 25.465 7.294 1.00 0.00 H new ATOM 0 HB3 SER A 433 9.251 26.874 6.778 1.00 0.00 H new ATOM 0 HG SER A 433 9.985 24.933 5.743 1.00 0.00 H new TER 1189 SER A 433