USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=27 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 429 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 430 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 386 GLN : amide:sc= 0.822 K(o=1.1,f=-2.2) USER MOD Set 2.2: A 402 LYS NZ :NH3+ -171:sc= 0.267 (180deg=-0.34) USER MOD Set 3.1: A 396 HIS : no HE2:sc= 0.403 K(o=0.84,f=-2.4) USER MOD Set 3.2: A 405 THR OG1 : rot -74:sc= 0.433 USER MOD Set 4.1: A 363 GLN :FLIP amide:sc= -3.19! C(o=-5.4!,f=-3.2!) USER MOD Set 4.2: A 364 LYS NZ :NH3+ 160:sc= -0.0115 (180deg=-0.138) USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot -47:sc= -0.396 USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 366 LYS NZ :NH3+ 167:sc= -0.0375 (180deg=-0.259) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 373 GLN : amide:sc=-0.00182 X(o=-0.0018,f=0) USER MOD Single : A 377 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.925 F(o=-5!,f=-0.93) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 387 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.55) USER MOD Single : A 390 LYS NZ :NH3+ 171:sc= -3.15! (180deg=-3.42!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -146:sc= 0.336 (180deg=0.0326) USER MOD Single : A 397 ASN : amide:sc= 0.45 K(o=0.45,f=-3.4!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.641 F(o=-4.2!,f=-0.64) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 168:sc= -0.0381 (180deg=-0.246) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot -39:sc= 1.19 USER MOD Single : A 420 LYS NZ :NH3+ 164:sc= -0.062 (180deg=-0.315) USER MOD Single : A 423 LYS NZ :NH3+ -167:sc= -0.0538 (180deg=-0.258) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.016) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.034) USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 18.707 4.096 20.085 1.00 0.00 N ATOM 2 CA GLY A 354 19.910 4.375 20.915 1.00 0.00 C ATOM 3 C GLY A 354 20.300 3.196 21.785 1.00 0.00 C ATOM 4 O GLY A 354 20.570 3.358 22.976 1.00 0.00 O ATOM 0 HA2 GLY A 354 20.745 4.634 20.264 1.00 0.00 H new ATOM 0 HA3 GLY A 354 19.718 5.242 21.548 1.00 0.00 H new ATOM 10 N SER A 355 20.329 2.007 21.190 1.00 0.00 N ATOM 11 CA SER A 355 20.687 0.795 21.918 1.00 0.00 C ATOM 12 C SER A 355 20.866 -0.381 20.962 1.00 0.00 C ATOM 13 O SER A 355 20.067 -0.577 20.046 1.00 0.00 O ATOM 14 CB SER A 355 19.615 0.462 22.957 1.00 0.00 C ATOM 15 OG SER A 355 18.358 0.242 22.342 1.00 0.00 O ATOM 0 H SER A 355 20.109 1.857 20.205 1.00 0.00 H new ATOM 0 HA SER A 355 21.634 0.975 22.428 1.00 0.00 H new ATOM 0 HB2 SER A 355 19.910 -0.426 23.516 1.00 0.00 H new ATOM 0 HB3 SER A 355 19.534 1.278 23.675 1.00 0.00 H new ATOM 0 HG SER A 355 17.691 0.029 23.028 1.00 0.00 H new ATOM 21 N HIS A 356 21.921 -1.159 21.184 1.00 0.00 N ATOM 22 CA HIS A 356 22.213 -2.317 20.345 1.00 0.00 C ATOM 23 C HIS A 356 21.063 -3.318 20.379 1.00 0.00 C ATOM 24 O HIS A 356 20.501 -3.598 21.439 1.00 0.00 O ATOM 25 CB HIS A 356 23.509 -2.992 20.802 1.00 0.00 C ATOM 26 CG HIS A 356 24.721 -2.113 20.702 1.00 0.00 C ATOM 27 ND1 HIS A 356 25.982 -2.527 21.082 1.00 0.00 N ATOM 28 CD2 HIS A 356 24.866 -0.840 20.257 1.00 0.00 C ATOM 29 CE1 HIS A 356 26.846 -1.548 20.877 1.00 0.00 C ATOM 30 NE2 HIS A 356 26.195 -0.514 20.378 1.00 0.00 N ATOM 0 H HIS A 356 22.589 -1.008 21.940 1.00 0.00 H new ATOM 0 HA HIS A 356 22.336 -1.969 19.319 1.00 0.00 H new ATOM 0 HB2 HIS A 356 23.393 -3.317 21.836 1.00 0.00 H new ATOM 0 HB3 HIS A 356 23.671 -3.888 20.202 1.00 0.00 H new ATOM 0 HD2 HIS A 356 24.082 -0.201 19.878 1.00 0.00 H new ATOM 0 HE1 HIS A 356 27.905 -1.587 21.083 1.00 0.00 H new ATOM 0 HE2 HIS A 356 26.611 0.382 20.123 1.00 0.00 H new ATOM 39 N MET A 357 20.718 -3.855 19.211 1.00 0.00 N ATOM 40 CA MET A 357 19.635 -4.826 19.099 1.00 0.00 C ATOM 41 C MET A 357 19.592 -5.432 17.700 1.00 0.00 C ATOM 42 O MET A 357 19.345 -6.628 17.538 1.00 0.00 O ATOM 43 CB MET A 357 18.291 -4.169 19.426 1.00 0.00 C ATOM 44 CG MET A 357 17.105 -5.112 19.293 1.00 0.00 C ATOM 45 SD MET A 357 17.247 -6.559 20.361 1.00 0.00 S ATOM 46 CE MET A 357 15.761 -7.452 19.916 1.00 0.00 C ATOM 0 H MET A 357 21.175 -3.632 18.327 1.00 0.00 H new ATOM 0 HA MET A 357 19.822 -5.625 19.817 1.00 0.00 H new ATOM 0 HB2 MET A 357 18.324 -3.781 20.444 1.00 0.00 H new ATOM 0 HB3 MET A 357 18.142 -3.316 18.764 1.00 0.00 H new ATOM 0 HG2 MET A 357 16.189 -4.574 19.536 1.00 0.00 H new ATOM 0 HG3 MET A 357 17.018 -5.437 18.256 1.00 0.00 H new ATOM 0 HE1 MET A 357 15.704 -8.375 20.494 1.00 0.00 H new ATOM 0 HE2 MET A 357 14.888 -6.835 20.130 1.00 0.00 H new ATOM 0 HE3 MET A 357 15.785 -7.691 18.853 1.00 0.00 H new ATOM 56 N LEU A 358 19.835 -4.599 16.694 1.00 0.00 N ATOM 57 CA LEU A 358 19.827 -5.051 15.305 1.00 0.00 C ATOM 58 C LEU A 358 20.423 -3.991 14.385 1.00 0.00 C ATOM 59 O LEU A 358 20.082 -2.811 14.476 1.00 0.00 O ATOM 60 CB LEU A 358 18.400 -5.387 14.849 1.00 0.00 C ATOM 61 CG LEU A 358 17.436 -4.198 14.750 1.00 0.00 C ATOM 62 CD1 LEU A 358 16.137 -4.621 14.084 1.00 0.00 C ATOM 63 CD2 LEU A 358 17.156 -3.611 16.126 1.00 0.00 C ATOM 0 H LEU A 358 20.040 -3.607 16.813 1.00 0.00 H new ATOM 0 HA LEU A 358 20.438 -5.952 15.247 1.00 0.00 H new ATOM 0 HB2 LEU A 358 18.454 -5.869 13.873 1.00 0.00 H new ATOM 0 HB3 LEU A 358 17.979 -6.116 15.542 1.00 0.00 H new ATOM 0 HG LEU A 358 17.908 -3.429 14.139 1.00 0.00 H new ATOM 0 HD11 LEU A 358 15.465 -3.765 14.022 1.00 0.00 H new ATOM 0 HD12 LEU A 358 16.346 -4.992 13.081 1.00 0.00 H new ATOM 0 HD13 LEU A 358 15.667 -5.410 14.671 1.00 0.00 H new ATOM 0 HD21 LEU A 358 16.470 -2.769 16.030 1.00 0.00 H new ATOM 0 HD22 LEU A 358 16.708 -4.374 16.763 1.00 0.00 H new ATOM 0 HD23 LEU A 358 18.090 -3.269 16.572 1.00 0.00 H new ATOM 75 N GLU A 359 21.311 -4.420 13.495 1.00 0.00 N ATOM 76 CA GLU A 359 21.951 -3.509 12.553 1.00 0.00 C ATOM 77 C GLU A 359 20.934 -2.968 11.553 1.00 0.00 C ATOM 78 O GLU A 359 20.147 -3.725 10.985 1.00 0.00 O ATOM 79 CB GLU A 359 23.087 -4.219 11.814 1.00 0.00 C ATOM 80 CG GLU A 359 24.175 -4.748 12.736 1.00 0.00 C ATOM 81 CD GLU A 359 25.292 -5.441 11.981 1.00 0.00 C ATOM 82 OE1 GLU A 359 25.940 -4.782 11.140 1.00 0.00 O ATOM 83 OE2 GLU A 359 25.522 -6.643 12.231 1.00 0.00 O ATOM 0 H GLU A 359 21.604 -5.393 13.406 1.00 0.00 H new ATOM 0 HA GLU A 359 22.365 -2.672 13.115 1.00 0.00 H new ATOM 0 HB2 GLU A 359 22.674 -5.048 11.240 1.00 0.00 H new ATOM 0 HB3 GLU A 359 23.533 -3.527 11.099 1.00 0.00 H new ATOM 0 HG2 GLU A 359 24.590 -3.922 13.314 1.00 0.00 H new ATOM 0 HG3 GLU A 359 23.735 -5.446 13.448 1.00 0.00 H new ATOM 90 N VAL A 360 20.953 -1.656 11.345 1.00 0.00 N ATOM 91 CA VAL A 360 20.029 -1.017 10.415 1.00 0.00 C ATOM 92 C VAL A 360 20.221 -1.539 8.995 1.00 0.00 C ATOM 93 O VAL A 360 21.348 -1.720 8.536 1.00 0.00 O ATOM 94 CB VAL A 360 20.191 0.516 10.422 1.00 0.00 C ATOM 95 CG1 VAL A 360 19.831 1.082 11.786 1.00 0.00 C ATOM 96 CG2 VAL A 360 21.608 0.910 10.030 1.00 0.00 C ATOM 0 H VAL A 360 21.597 -1.015 11.807 1.00 0.00 H new ATOM 0 HA VAL A 360 19.023 -1.266 10.751 1.00 0.00 H new ATOM 0 HB VAL A 360 19.508 0.937 9.685 1.00 0.00 H new ATOM 0 HG11 VAL A 360 19.951 2.165 11.774 1.00 0.00 H new ATOM 0 HG12 VAL A 360 18.796 0.834 12.021 1.00 0.00 H new ATOM 0 HG13 VAL A 360 20.488 0.653 12.543 1.00 0.00 H new ATOM 0 HG21 VAL A 360 21.700 1.996 10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 360 22.315 0.478 10.739 1.00 0.00 H new ATOM 0 HG23 VAL A 360 21.825 0.538 9.029 1.00 0.00 H new ATOM 106 N LEU A 361 19.109 -1.779 8.306 1.00 0.00 N ATOM 107 CA LEU A 361 19.143 -2.281 6.937 1.00 0.00 C ATOM 108 C LEU A 361 19.720 -1.224 5.989 1.00 0.00 C ATOM 109 O LEU A 361 20.824 -0.727 6.214 1.00 0.00 O ATOM 110 CB LEU A 361 17.737 -2.702 6.498 1.00 0.00 C ATOM 111 CG LEU A 361 17.058 -3.734 7.401 1.00 0.00 C ATOM 112 CD1 LEU A 361 15.635 -3.999 6.933 1.00 0.00 C ATOM 113 CD2 LEU A 361 17.859 -5.028 7.427 1.00 0.00 C ATOM 0 H LEU A 361 18.170 -1.633 8.676 1.00 0.00 H new ATOM 0 HA LEU A 361 19.793 -3.155 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 361 17.107 -1.814 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 361 17.795 -3.108 5.488 1.00 0.00 H new ATOM 0 HG LEU A 361 17.018 -3.332 8.413 1.00 0.00 H new ATOM 0 HD11 LEU A 361 15.168 -4.735 7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 361 15.063 -3.072 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 361 15.653 -4.380 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 361 17.362 -5.751 8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 361 17.929 -5.433 6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 361 18.860 -4.828 7.808 1.00 0.00 H new ATOM 125 N THR A 362 18.969 -0.886 4.934 1.00 0.00 N ATOM 126 CA THR A 362 19.397 0.110 3.949 1.00 0.00 C ATOM 127 C THR A 362 20.886 -0.010 3.630 1.00 0.00 C ATOM 128 O THR A 362 21.605 0.989 3.566 1.00 0.00 O ATOM 129 CB THR A 362 19.072 1.551 4.405 1.00 0.00 C ATOM 130 OG1 THR A 362 19.456 2.482 3.385 1.00 0.00 O ATOM 131 CG2 THR A 362 19.780 1.906 5.705 1.00 0.00 C ATOM 0 H THR A 362 18.054 -1.293 4.741 1.00 0.00 H new ATOM 0 HA THR A 362 18.831 -0.098 3.041 1.00 0.00 H new ATOM 0 HB THR A 362 17.997 1.607 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 362 20.361 2.271 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 362 19.525 2.927 5.991 1.00 0.00 H new ATOM 0 HG22 THR A 362 19.464 1.219 6.491 1.00 0.00 H new ATOM 0 HG23 THR A 362 20.858 1.827 5.566 1.00 0.00 H new ATOM 139 N GLN A 363 21.340 -1.243 3.426 1.00 0.00 N ATOM 140 CA GLN A 363 22.741 -1.504 3.108 1.00 0.00 C ATOM 141 C GLN A 363 23.033 -1.214 1.635 1.00 0.00 C ATOM 142 O GLN A 363 23.589 -2.052 0.923 1.00 0.00 O ATOM 143 CB GLN A 363 23.116 -2.954 3.450 1.00 0.00 C ATOM 144 CG GLN A 363 22.328 -4.006 2.679 1.00 0.00 C ATOM 145 CD GLN A 363 20.862 -4.048 3.062 1.00 0.00 C ATOM 146 OE1 GLN A 363 19.989 -3.810 2.090 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 20.517 -4.292 4.219 1.00 0.00 N flip ATOM 0 H GLN A 363 20.757 -2.079 3.475 1.00 0.00 H new ATOM 0 HA GLN A 363 23.351 -0.835 3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 363 24.179 -3.098 3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 363 22.964 -3.114 4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 363 22.413 -3.805 1.611 1.00 0.00 H new ATOM 0 HG3 GLN A 363 22.772 -4.986 2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 363 21.222 -4.469 4.935 1.00 0.00 H new ATOM 0 HE22 GLN A 363 19.527 -4.317 4.461 1.00 0.00 H new ATOM 156 N LYS A 364 22.657 -0.020 1.181 1.00 0.00 N ATOM 157 CA LYS A 364 22.881 0.371 -0.206 1.00 0.00 C ATOM 158 C LYS A 364 22.903 1.892 -0.364 1.00 0.00 C ATOM 159 O LYS A 364 21.906 2.506 -0.745 1.00 0.00 O ATOM 160 CB LYS A 364 21.812 -0.241 -1.118 1.00 0.00 C ATOM 161 CG LYS A 364 20.384 0.045 -0.675 1.00 0.00 C ATOM 162 CD LYS A 364 19.371 -0.465 -1.690 1.00 0.00 C ATOM 163 CE LYS A 364 19.458 -1.972 -1.871 1.00 0.00 C ATOM 164 NZ LYS A 364 19.169 -2.704 -0.606 1.00 0.00 N ATOM 0 H LYS A 364 22.198 0.690 1.752 1.00 0.00 H new ATOM 0 HA LYS A 364 23.858 -0.011 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 364 21.951 0.140 -2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 364 21.959 -1.320 -1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 364 20.201 -0.425 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 364 20.253 1.118 -0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 364 18.366 -0.196 -1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 364 19.539 0.026 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 364 18.753 -2.286 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 364 20.454 -2.238 -2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 18.905 -3.686 -0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 20.015 -2.700 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 18.385 -2.238 -0.107 1.00 0.00 H new ATOM 178 N HIS A 365 24.061 2.487 -0.079 1.00 0.00 N ATOM 179 CA HIS A 365 24.242 3.933 -0.199 1.00 0.00 C ATOM 180 C HIS A 365 23.349 4.702 0.779 1.00 0.00 C ATOM 181 O HIS A 365 23.338 4.414 1.976 1.00 0.00 O ATOM 182 CB HIS A 365 23.975 4.380 -1.640 1.00 0.00 C ATOM 183 CG HIS A 365 24.892 3.747 -2.639 1.00 0.00 C ATOM 184 ND1 HIS A 365 26.263 3.900 -2.607 1.00 0.00 N ATOM 185 CD2 HIS A 365 24.629 2.952 -3.702 1.00 0.00 C ATOM 186 CE1 HIS A 365 26.803 3.227 -3.606 1.00 0.00 C ATOM 187 NE2 HIS A 365 25.832 2.642 -4.285 1.00 0.00 N ATOM 0 H HIS A 365 24.891 1.987 0.238 1.00 0.00 H new ATOM 0 HA HIS A 365 25.276 4.162 0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 365 22.944 4.141 -1.902 1.00 0.00 H new ATOM 0 HB3 HIS A 365 24.076 5.464 -1.701 1.00 0.00 H new ATOM 0 HD2 HIS A 365 23.654 2.623 -4.030 1.00 0.00 H new ATOM 0 HE1 HIS A 365 27.858 3.165 -3.830 1.00 0.00 H new ATOM 0 HE2 HIS A 365 25.957 2.055 -5.110 1.00 0.00 H new ATOM 196 N LYS A 366 22.621 5.696 0.262 1.00 0.00 N ATOM 197 CA LYS A 366 21.741 6.528 1.083 1.00 0.00 C ATOM 198 C LYS A 366 20.897 5.688 2.043 1.00 0.00 C ATOM 199 O LYS A 366 20.342 4.659 1.657 1.00 0.00 O ATOM 200 CB LYS A 366 20.828 7.367 0.185 1.00 0.00 C ATOM 201 CG LYS A 366 19.879 8.272 0.953 1.00 0.00 C ATOM 202 CD LYS A 366 19.011 9.096 0.017 1.00 0.00 C ATOM 203 CE LYS A 366 18.063 9.999 0.789 1.00 0.00 C ATOM 204 NZ LYS A 366 18.799 10.962 1.653 1.00 0.00 N ATOM 0 H LYS A 366 22.625 5.944 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 366 22.371 7.185 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 366 21.444 7.978 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 366 20.245 6.700 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 366 19.244 7.668 1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 366 20.452 8.937 1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 366 19.645 9.701 -0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 366 18.437 8.431 -0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 366 17.432 10.547 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 366 17.401 9.390 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 18.144 11.697 1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 19.203 10.458 2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 19.564 11.405 1.105 1.00 0.00 H new ATOM 218 N PRO A 367 20.791 6.125 3.314 1.00 0.00 N ATOM 219 CA PRO A 367 20.011 5.418 4.334 1.00 0.00 C ATOM 220 C PRO A 367 18.506 5.564 4.129 1.00 0.00 C ATOM 221 O PRO A 367 18.027 6.614 3.703 1.00 0.00 O ATOM 222 CB PRO A 367 20.442 6.087 5.632 1.00 0.00 C ATOM 223 CG PRO A 367 20.840 7.461 5.238 1.00 0.00 C ATOM 224 CD PRO A 367 21.418 7.347 3.856 1.00 0.00 C ATOM 0 HA PRO A 367 20.192 4.343 4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 367 19.628 6.104 6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 367 21.271 5.553 6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 367 19.982 8.133 5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 367 21.572 7.869 5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 367 21.181 8.221 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 367 22.504 7.262 3.882 1.00 0.00 H new ATOM 232 N ALA A 368 17.771 4.498 4.437 1.00 0.00 N ATOM 233 CA ALA A 368 16.319 4.492 4.291 1.00 0.00 C ATOM 234 C ALA A 368 15.909 4.762 2.848 1.00 0.00 C ATOM 235 O ALA A 368 14.934 5.470 2.590 1.00 0.00 O ATOM 236 CB ALA A 368 15.688 5.514 5.225 1.00 0.00 C ATOM 0 H ALA A 368 18.160 3.624 4.791 1.00 0.00 H new ATOM 0 HA ALA A 368 15.957 3.500 4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 368 14.605 5.497 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 368 15.942 5.270 6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 368 16.065 6.508 4.984 1.00 0.00 H new ATOM 242 N GLU A 369 16.656 4.188 1.909 1.00 0.00 N ATOM 243 CA GLU A 369 16.367 4.360 0.491 1.00 0.00 C ATOM 244 C GLU A 369 15.152 3.537 0.084 1.00 0.00 C ATOM 245 O GLU A 369 14.295 3.999 -0.669 1.00 0.00 O ATOM 246 CB GLU A 369 17.580 3.960 -0.354 1.00 0.00 C ATOM 247 CG GLU A 369 17.360 4.112 -1.851 1.00 0.00 C ATOM 248 CD GLU A 369 18.566 3.686 -2.665 1.00 0.00 C ATOM 249 OE1 GLU A 369 19.574 3.264 -2.059 1.00 0.00 O ATOM 250 OE2 GLU A 369 18.503 3.772 -3.909 1.00 0.00 O ATOM 0 H GLU A 369 17.466 3.600 2.106 1.00 0.00 H new ATOM 0 HA GLU A 369 16.147 5.413 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 369 18.434 4.569 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 369 17.837 2.923 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 369 16.497 3.517 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 369 17.124 5.152 -2.076 1.00 0.00 H new ATOM 257 N SER A 370 15.096 2.313 0.588 1.00 0.00 N ATOM 258 CA SER A 370 13.998 1.403 0.287 1.00 0.00 C ATOM 259 C SER A 370 12.691 1.882 0.916 1.00 0.00 C ATOM 260 O SER A 370 12.647 2.227 2.097 1.00 0.00 O ATOM 261 CB SER A 370 14.327 -0.005 0.786 1.00 0.00 C ATOM 262 OG SER A 370 13.282 -0.913 0.480 1.00 0.00 O ATOM 0 H SER A 370 15.803 1.924 1.212 1.00 0.00 H new ATOM 0 HA SER A 370 13.869 1.383 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 370 15.256 -0.348 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 370 14.490 0.017 1.864 1.00 0.00 H new ATOM 0 HG SER A 370 13.518 -1.806 0.808 1.00 0.00 H new ATOM 268 N GLN A 371 11.626 1.887 0.116 1.00 0.00 N ATOM 269 CA GLN A 371 10.308 2.309 0.582 1.00 0.00 C ATOM 270 C GLN A 371 9.259 2.102 -0.507 1.00 0.00 C ATOM 271 O GLN A 371 9.438 2.539 -1.644 1.00 0.00 O ATOM 272 CB GLN A 371 10.328 3.780 1.012 1.00 0.00 C ATOM 273 CG GLN A 371 10.735 4.736 -0.097 1.00 0.00 C ATOM 274 CD GLN A 371 10.660 6.189 0.331 1.00 0.00 C ATOM 275 OE1 GLN A 371 9.595 6.688 0.691 1.00 0.00 O ATOM 276 NE2 GLN A 371 11.796 6.875 0.295 1.00 0.00 N ATOM 0 H GLN A 371 11.652 1.602 -0.863 1.00 0.00 H new ATOM 0 HA GLN A 371 10.046 1.696 1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 371 9.338 4.057 1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 371 11.016 3.895 1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 371 11.752 4.506 -0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 371 10.088 4.581 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 371 12.657 6.421 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 371 11.808 7.856 0.573 1.00 0.00 H new ATOM 285 N GLN A 372 8.168 1.430 -0.155 1.00 0.00 N ATOM 286 CA GLN A 372 7.095 1.167 -1.108 1.00 0.00 C ATOM 287 C GLN A 372 6.189 2.384 -1.266 1.00 0.00 C ATOM 288 O GLN A 372 5.643 2.895 -0.288 1.00 0.00 O ATOM 289 CB GLN A 372 6.271 -0.044 -0.662 1.00 0.00 C ATOM 290 CG GLN A 372 5.108 -0.367 -1.590 1.00 0.00 C ATOM 291 CD GLN A 372 4.324 -1.596 -1.161 1.00 0.00 C ATOM 292 OE1 GLN A 372 4.747 -2.228 -0.070 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 3.346 -1.975 -1.805 1.00 0.00 N flip ATOM 0 H GLN A 372 8.003 1.058 0.780 1.00 0.00 H new ATOM 0 HA GLN A 372 7.551 0.952 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.925 -0.914 -0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 372 5.884 0.140 0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 372 4.435 0.490 -1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 372 5.489 -0.521 -2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 372 3.053 -1.462 -2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 372 2.828 -2.802 -1.507 1.00 0.00 H new ATOM 302 N GLN A 373 6.030 2.837 -2.505 1.00 0.00 N ATOM 303 CA GLN A 373 5.186 3.985 -2.797 1.00 0.00 C ATOM 304 C GLN A 373 3.712 3.595 -2.756 1.00 0.00 C ATOM 305 O GLN A 373 3.308 2.597 -3.354 1.00 0.00 O ATOM 306 CB GLN A 373 5.539 4.563 -4.169 1.00 0.00 C ATOM 307 CG GLN A 373 4.692 5.762 -4.564 1.00 0.00 C ATOM 308 CD GLN A 373 5.061 6.310 -5.928 1.00 0.00 C ATOM 309 OE1 GLN A 373 6.191 6.743 -6.152 1.00 0.00 O ATOM 310 NE2 GLN A 373 4.106 6.292 -6.850 1.00 0.00 N ATOM 0 H GLN A 373 6.477 2.424 -3.324 1.00 0.00 H new ATOM 0 HA GLN A 373 5.363 4.744 -2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 373 6.589 4.855 -4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 373 5.423 3.784 -4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 373 3.640 5.476 -4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 373 4.809 6.547 -3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 373 3.183 5.924 -6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 373 4.295 6.646 -7.788 1.00 0.00 H new ATOM 319 N ALA A 374 2.910 4.389 -2.053 1.00 0.00 N ATOM 320 CA ALA A 374 1.483 4.124 -1.944 1.00 0.00 C ATOM 321 C ALA A 374 0.768 4.481 -3.239 1.00 0.00 C ATOM 322 O ALA A 374 0.917 5.590 -3.753 1.00 0.00 O ATOM 323 CB ALA A 374 0.890 4.904 -0.779 1.00 0.00 C ATOM 0 H ALA A 374 3.225 5.219 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 374 1.344 3.059 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -0.178 4.697 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 374 1.380 4.603 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.043 5.971 -0.940 1.00 0.00 H new ATOM 329 N ALA A 375 -0.017 3.545 -3.758 1.00 0.00 N ATOM 330 CA ALA A 375 -0.760 3.779 -4.988 1.00 0.00 C ATOM 331 C ALA A 375 -2.170 4.224 -4.666 1.00 0.00 C ATOM 332 O ALA A 375 -3.150 3.686 -5.183 1.00 0.00 O ATOM 333 CB ALA A 375 -0.765 2.535 -5.865 1.00 0.00 C ATOM 0 H ALA A 375 -0.155 2.621 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 375 -0.266 4.574 -5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -1.326 2.735 -6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 375 0.260 2.266 -6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.232 1.711 -5.325 1.00 0.00 H new ATOM 339 N GLU A 376 -2.249 5.204 -3.789 1.00 0.00 N ATOM 340 CA GLU A 376 -3.527 5.742 -3.350 1.00 0.00 C ATOM 341 C GLU A 376 -4.136 6.688 -4.379 1.00 0.00 C ATOM 342 O GLU A 376 -3.562 7.721 -4.717 1.00 0.00 O ATOM 343 CB GLU A 376 -3.360 6.451 -2.003 1.00 0.00 C ATOM 344 CG GLU A 376 -2.324 7.563 -2.015 1.00 0.00 C ATOM 345 CD GLU A 376 -2.915 8.919 -2.350 1.00 0.00 C ATOM 346 OE1 GLU A 376 -4.152 9.011 -2.496 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.139 9.893 -2.460 1.00 0.00 O ATOM 0 H GLU A 376 -1.437 5.649 -3.361 1.00 0.00 H new ATOM 0 HA GLU A 376 -4.217 4.906 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.321 6.867 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.080 5.715 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -1.842 7.614 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -1.548 7.321 -2.741 1.00 0.00 H new ATOM 354 N THR A 377 -5.324 6.321 -4.844 1.00 0.00 N ATOM 355 CA THR A 377 -6.080 7.109 -5.808 1.00 0.00 C ATOM 356 C THR A 377 -7.534 6.674 -5.773 1.00 0.00 C ATOM 357 O THR A 377 -7.830 5.486 -5.649 1.00 0.00 O ATOM 358 CB THR A 377 -5.566 6.968 -7.255 1.00 0.00 C ATOM 359 OG1 THR A 377 -5.447 5.587 -7.605 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.227 7.665 -7.450 1.00 0.00 C ATOM 0 H THR A 377 -5.793 5.461 -4.560 1.00 0.00 H new ATOM 0 HA THR A 377 -5.960 8.153 -5.520 1.00 0.00 H new ATOM 0 HB THR A 377 -6.294 7.449 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.122 5.510 -8.526 1.00 0.00 H new ATOM 0 HG21 THR A 377 -3.900 7.542 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 377 -4.334 8.727 -7.227 1.00 0.00 H new ATOM 0 HG23 THR A 377 -3.487 7.226 -6.780 1.00 0.00 H new ATOM 368 N GLU A 378 -8.437 7.633 -5.872 1.00 0.00 N ATOM 369 CA GLU A 378 -9.860 7.334 -5.842 1.00 0.00 C ATOM 370 C GLU A 378 -10.214 6.371 -6.966 1.00 0.00 C ATOM 371 O GLU A 378 -11.047 5.481 -6.804 1.00 0.00 O ATOM 372 CB GLU A 378 -10.681 8.615 -5.975 1.00 0.00 C ATOM 373 CG GLU A 378 -12.175 8.396 -5.811 1.00 0.00 C ATOM 374 CD GLU A 378 -12.973 9.677 -5.962 1.00 0.00 C ATOM 375 OE1 GLU A 378 -12.900 10.299 -7.043 1.00 0.00 O ATOM 376 OE2 GLU A 378 -13.672 10.059 -5.000 1.00 0.00 O ATOM 0 H GLU A 378 -8.213 8.623 -5.974 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.096 6.869 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -10.343 9.333 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -10.492 9.059 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -12.515 7.671 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -12.370 7.965 -4.829 1.00 0.00 H new ATOM 383 N GLY A 379 -9.571 6.570 -8.108 1.00 0.00 N ATOM 384 CA GLY A 379 -9.817 5.732 -9.264 1.00 0.00 C ATOM 385 C GLY A 379 -9.364 4.296 -9.081 1.00 0.00 C ATOM 386 O GLY A 379 -10.052 3.371 -9.509 1.00 0.00 O ATOM 0 H GLY A 379 -8.878 7.303 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -10.883 5.742 -9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.305 6.158 -10.127 1.00 0.00 H new ATOM 390 N SER A 380 -8.204 4.102 -8.460 1.00 0.00 N ATOM 391 CA SER A 380 -7.678 2.757 -8.250 1.00 0.00 C ATOM 392 C SER A 380 -8.495 1.995 -7.216 1.00 0.00 C ATOM 393 O SER A 380 -8.856 0.838 -7.424 1.00 0.00 O ATOM 394 CB SER A 380 -6.222 2.814 -7.813 1.00 0.00 C ATOM 395 OG SER A 380 -5.703 1.515 -7.591 1.00 0.00 O ATOM 0 H SER A 380 -7.615 4.851 -8.096 1.00 0.00 H new ATOM 0 HA SER A 380 -7.747 2.227 -9.200 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.630 3.320 -8.576 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.136 3.404 -6.900 1.00 0.00 H new ATOM 0 HG SER A 380 -4.766 1.580 -7.313 1.00 0.00 H new ATOM 401 N CYS A 381 -8.774 2.654 -6.100 1.00 0.00 N ATOM 402 CA CYS A 381 -9.536 2.048 -5.015 1.00 0.00 C ATOM 403 C CYS A 381 -10.879 1.507 -5.496 1.00 0.00 C ATOM 404 O CYS A 381 -11.237 0.368 -5.200 1.00 0.00 O ATOM 405 CB CYS A 381 -9.751 3.068 -3.902 1.00 0.00 C ATOM 406 SG CYS A 381 -8.216 3.582 -3.069 1.00 0.00 S ATOM 0 H CYS A 381 -8.482 3.615 -5.921 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.960 1.205 -4.634 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.240 3.949 -4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.431 2.646 -3.162 1.00 0.00 H new ATOM 411 N ASN A 382 -11.616 2.327 -6.236 1.00 0.00 N ATOM 412 CA ASN A 382 -12.921 1.921 -6.753 1.00 0.00 C ATOM 413 C ASN A 382 -12.812 0.614 -7.527 1.00 0.00 C ATOM 414 O ASN A 382 -13.721 -0.217 -7.498 1.00 0.00 O ATOM 415 CB ASN A 382 -13.499 3.008 -7.662 1.00 0.00 C ATOM 416 CG ASN A 382 -13.674 4.340 -6.959 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.303 4.402 -5.685 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.140 5.310 -7.557 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.335 3.274 -6.492 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.587 1.773 -5.903 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.842 3.141 -8.522 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.464 2.677 -8.046 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.413 5.223 -8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.253 6.201 -7.074 1.00 0.00 H new ATOM 425 N LYS A 383 -11.699 0.448 -8.226 1.00 0.00 N ATOM 426 CA LYS A 383 -11.461 -0.746 -9.023 1.00 0.00 C ATOM 427 C LYS A 383 -11.129 -1.947 -8.146 1.00 0.00 C ATOM 428 O LYS A 383 -11.499 -3.077 -8.466 1.00 0.00 O ATOM 429 CB LYS A 383 -10.329 -0.491 -10.017 1.00 0.00 C ATOM 430 CG LYS A 383 -10.566 0.724 -10.900 1.00 0.00 C ATOM 431 CD LYS A 383 -11.841 0.587 -11.719 1.00 0.00 C ATOM 432 CE LYS A 383 -11.787 -0.618 -12.647 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.053 -0.786 -13.411 1.00 0.00 N ATOM 0 H LYS A 383 -10.942 1.130 -8.257 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.377 -0.975 -9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.397 -0.357 -9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.204 -1.371 -10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.627 1.618 -10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.716 0.858 -11.570 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.696 0.492 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.995 1.492 -12.306 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.955 -0.504 -13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.593 -1.518 -12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.976 -1.617 -14.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.843 -0.920 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.225 0.062 -13.988 1.00 0.00 H new ATOM 447 N LYS A 384 -10.409 -1.703 -7.055 1.00 0.00 N ATOM 448 CA LYS A 384 -10.006 -2.758 -6.151 1.00 0.00 C ATOM 449 C LYS A 384 -11.178 -3.587 -5.657 1.00 0.00 C ATOM 450 O LYS A 384 -12.334 -3.357 -6.012 1.00 0.00 O ATOM 451 CB LYS A 384 -9.279 -2.154 -4.958 1.00 0.00 C ATOM 452 CG LYS A 384 -8.126 -1.254 -5.351 1.00 0.00 C ATOM 453 CD LYS A 384 -7.103 -1.991 -6.195 1.00 0.00 C ATOM 454 CE LYS A 384 -7.387 -1.853 -7.683 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.276 -2.393 -8.515 1.00 0.00 N ATOM 0 H LYS A 384 -10.094 -0.773 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 384 -9.347 -3.425 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.989 -1.583 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.904 -2.958 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.506 -0.396 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.645 -0.865 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -6.107 -1.604 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -7.101 -3.046 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -8.311 -2.378 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.545 -0.802 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.510 -2.279 -9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.400 -1.875 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -6.142 -3.402 -8.302 1.00 0.00 H new ATOM 469 N ASP A 385 -10.845 -4.540 -4.808 1.00 0.00 N ATOM 470 CA ASP A 385 -11.818 -5.432 -4.201 1.00 0.00 C ATOM 471 C ASP A 385 -11.393 -5.721 -2.770 1.00 0.00 C ATOM 472 O ASP A 385 -10.670 -4.933 -2.171 1.00 0.00 O ATOM 473 CB ASP A 385 -11.920 -6.738 -4.992 1.00 0.00 C ATOM 474 CG ASP A 385 -12.436 -6.534 -6.404 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.757 -5.844 -7.193 1.00 0.00 O ATOM 476 OD2 ASP A 385 -13.519 -7.068 -6.721 1.00 0.00 O ATOM 0 H ASP A 385 -9.884 -4.720 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.798 -4.955 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -10.938 -7.209 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -12.581 -7.426 -4.465 1.00 0.00 H new ATOM 481 N GLN A 386 -11.815 -6.850 -2.223 1.00 0.00 N ATOM 482 CA GLN A 386 -11.432 -7.195 -0.864 1.00 0.00 C ATOM 483 C GLN A 386 -9.923 -7.405 -0.784 1.00 0.00 C ATOM 484 O GLN A 386 -9.226 -6.721 -0.035 1.00 0.00 O ATOM 485 CB GLN A 386 -12.166 -8.454 -0.401 1.00 0.00 C ATOM 486 CG GLN A 386 -11.952 -8.774 1.070 1.00 0.00 C ATOM 487 CD GLN A 386 -12.693 -10.021 1.510 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.907 -10.128 1.344 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.964 -10.970 2.085 1.00 0.00 N ATOM 0 H GLN A 386 -12.413 -7.532 -2.690 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.711 -6.373 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.233 -8.332 -0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.833 -9.301 -1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.886 -8.904 1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.282 -7.928 1.674 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.959 -10.840 2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.409 -11.829 2.409 1.00 0.00 H new ATOM 498 N ASN A 387 -9.430 -8.351 -1.576 1.00 0.00 N ATOM 499 CA ASN A 387 -8.012 -8.669 -1.617 1.00 0.00 C ATOM 500 C ASN A 387 -7.224 -7.616 -2.392 1.00 0.00 C ATOM 501 O ASN A 387 -6.084 -7.848 -2.795 1.00 0.00 O ATOM 502 CB ASN A 387 -7.838 -10.033 -2.266 1.00 0.00 C ATOM 503 CG ASN A 387 -6.408 -10.515 -2.246 1.00 0.00 C ATOM 504 OD1 ASN A 387 -5.811 -10.689 -1.183 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.851 -10.732 -3.426 1.00 0.00 N ATOM 0 H ASN A 387 -10.002 -8.916 -2.204 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.624 -8.682 -0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -8.468 -10.758 -1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -8.186 -9.986 -3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -4.886 -11.058 -3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -6.386 -10.573 -4.280 1.00 0.00 H new ATOM 512 N GLU A 388 -7.836 -6.462 -2.599 1.00 0.00 N ATOM 513 CA GLU A 388 -7.187 -5.379 -3.331 1.00 0.00 C ATOM 514 C GLU A 388 -7.466 -4.027 -2.690 1.00 0.00 C ATOM 515 O GLU A 388 -6.858 -3.023 -3.064 1.00 0.00 O ATOM 516 CB GLU A 388 -7.644 -5.370 -4.791 1.00 0.00 C ATOM 517 CG GLU A 388 -7.281 -6.634 -5.548 1.00 0.00 C ATOM 518 CD GLU A 388 -7.684 -6.576 -7.009 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.196 -5.676 -7.724 1.00 0.00 O ATOM 520 OE2 GLU A 388 -8.489 -7.430 -7.437 1.00 0.00 O ATOM 0 H GLU A 388 -8.779 -6.248 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 388 -6.112 -5.555 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.725 -5.234 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -7.200 -4.513 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -6.206 -6.799 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.766 -7.488 -5.075 1.00 0.00 H new ATOM 527 N CYS A 389 -8.372 -3.997 -1.718 1.00 0.00 N ATOM 528 CA CYS A 389 -8.688 -2.747 -1.043 1.00 0.00 C ATOM 529 C CYS A 389 -7.467 -2.301 -0.247 1.00 0.00 C ATOM 530 O CYS A 389 -7.193 -2.820 0.835 1.00 0.00 O ATOM 531 CB CYS A 389 -9.908 -2.918 -0.132 1.00 0.00 C ATOM 532 SG CYS A 389 -10.778 -1.363 0.261 1.00 0.00 S ATOM 0 H CYS A 389 -8.891 -4.809 -1.386 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.938 -1.983 -1.779 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.610 -3.602 -0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.589 -3.387 0.799 1.00 0.00 H new ATOM 537 N LYS A 390 -6.715 -1.363 -0.814 1.00 0.00 N ATOM 538 CA LYS A 390 -5.493 -0.875 -0.186 1.00 0.00 C ATOM 539 C LYS A 390 -5.780 -0.046 1.062 1.00 0.00 C ATOM 540 O LYS A 390 -6.906 0.396 1.285 1.00 0.00 O ATOM 541 CB LYS A 390 -4.679 -0.062 -1.187 1.00 0.00 C ATOM 542 CG LYS A 390 -4.234 -0.868 -2.398 1.00 0.00 C ATOM 543 CD LYS A 390 -3.400 -0.029 -3.353 1.00 0.00 C ATOM 544 CE LYS A 390 -2.947 -0.838 -4.556 1.00 0.00 C ATOM 545 NZ LYS A 390 -4.098 -1.389 -5.321 1.00 0.00 N ATOM 0 H LYS A 390 -6.931 -0.925 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.916 -1.744 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.274 0.787 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.800 0.343 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.654 -1.730 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -5.109 -1.253 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.983 0.829 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.529 0.363 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.344 -0.208 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.308 -1.656 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -3.757 -1.802 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -4.570 -2.124 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -4.773 -0.626 -5.530 1.00 0.00 H new ATOM 559 N SER A 391 -4.742 0.140 1.878 1.00 0.00 N ATOM 560 CA SER A 391 -4.849 0.893 3.117 1.00 0.00 C ATOM 561 C SER A 391 -5.533 2.246 2.906 1.00 0.00 C ATOM 562 O SER A 391 -6.496 2.564 3.606 1.00 0.00 O ATOM 563 CB SER A 391 -3.460 1.083 3.723 1.00 0.00 C ATOM 564 OG SER A 391 -2.851 -0.165 4.006 1.00 0.00 O ATOM 0 H SER A 391 -3.808 -0.228 1.695 1.00 0.00 H new ATOM 0 HA SER A 391 -5.472 0.323 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.833 1.649 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.537 1.670 4.639 1.00 0.00 H new ATOM 0 HG SER A 391 -1.962 -0.015 4.391 1.00 0.00 H new ATOM 570 N PRO A 392 -5.072 3.065 1.934 1.00 0.00 N ATOM 571 CA PRO A 392 -5.684 4.364 1.662 1.00 0.00 C ATOM 572 C PRO A 392 -7.160 4.213 1.320 1.00 0.00 C ATOM 573 O PRO A 392 -7.986 5.066 1.652 1.00 0.00 O ATOM 574 CB PRO A 392 -4.901 4.885 0.451 1.00 0.00 C ATOM 575 CG PRO A 392 -4.246 3.690 -0.138 1.00 0.00 C ATOM 576 CD PRO A 392 -3.948 2.803 1.018 1.00 0.00 C ATOM 0 HA PRO A 392 -5.643 5.035 2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.564 5.365 -0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.164 5.630 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.900 3.196 -0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.335 3.962 -0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.904 1.755 0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.989 3.045 1.476 1.00 0.00 H new ATOM 584 N CYS A 393 -7.474 3.111 0.651 1.00 0.00 N ATOM 585 CA CYS A 393 -8.839 2.811 0.250 1.00 0.00 C ATOM 586 C CYS A 393 -9.677 2.378 1.448 1.00 0.00 C ATOM 587 O CYS A 393 -9.164 1.780 2.394 1.00 0.00 O ATOM 588 CB CYS A 393 -8.846 1.699 -0.794 1.00 0.00 C ATOM 589 SG CYS A 393 -7.613 1.902 -2.118 1.00 0.00 S ATOM 0 H CYS A 393 -6.793 2.405 0.373 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.271 3.718 -0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.670 0.747 -0.294 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.838 1.645 -1.243 1.00 0.00 H new ATOM 594 N LYS A 394 -10.968 2.669 1.388 1.00 0.00 N ATOM 595 CA LYS A 394 -11.889 2.294 2.454 1.00 0.00 C ATOM 596 C LYS A 394 -12.646 1.029 2.073 1.00 0.00 C ATOM 597 O LYS A 394 -13.314 0.982 1.040 1.00 0.00 O ATOM 598 CB LYS A 394 -12.873 3.433 2.739 1.00 0.00 C ATOM 599 CG LYS A 394 -13.863 3.122 3.853 1.00 0.00 C ATOM 600 CD LYS A 394 -14.824 4.278 4.092 1.00 0.00 C ATOM 601 CE LYS A 394 -14.095 5.531 4.555 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.031 6.666 4.783 1.00 0.00 N ATOM 0 H LYS A 394 -11.404 3.165 0.611 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.312 2.101 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.311 4.329 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.425 3.661 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.428 2.226 3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.320 2.905 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.370 4.493 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.562 3.989 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.554 5.316 5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.354 5.816 3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.562 7.559 4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.878 6.541 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.308 6.691 5.785 1.00 0.00 H new ATOM 616 N TRP A 395 -12.530 0.002 2.907 1.00 0.00 N ATOM 617 CA TRP A 395 -13.197 -1.265 2.644 1.00 0.00 C ATOM 618 C TRP A 395 -14.677 -1.204 3.010 1.00 0.00 C ATOM 619 O TRP A 395 -15.048 -0.682 4.060 1.00 0.00 O ATOM 620 CB TRP A 395 -12.510 -2.399 3.409 1.00 0.00 C ATOM 621 CG TRP A 395 -13.125 -3.746 3.167 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.416 -4.691 4.109 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.523 -4.302 1.905 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.970 -5.798 3.513 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.049 -5.583 2.163 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.490 -3.843 0.583 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.534 -6.406 1.150 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.972 -4.663 -0.421 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.490 -5.931 -0.132 1.00 0.00 C ATOM 0 H TRP A 395 -11.982 0.023 3.767 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.124 -1.462 1.574 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.458 -2.433 3.125 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.545 -2.179 4.476 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.237 -4.584 5.169 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.273 -6.643 3.997 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -13.095 -2.865 0.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.931 -7.386 1.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.948 -4.319 -1.445 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.862 -6.547 -0.937 1.00 0.00 H new ATOM 640 N HIS A 396 -15.514 -1.755 2.134 1.00 0.00 N ATOM 641 CA HIS A 396 -16.954 -1.782 2.360 1.00 0.00 C ATOM 642 C HIS A 396 -17.463 -3.220 2.409 1.00 0.00 C ATOM 643 O HIS A 396 -17.655 -3.860 1.369 1.00 0.00 O ATOM 644 CB HIS A 396 -17.685 -1.001 1.265 1.00 0.00 C ATOM 645 CG HIS A 396 -17.351 0.458 1.243 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.585 1.300 2.311 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.797 1.228 0.275 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.192 2.523 2.000 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.709 2.505 0.772 1.00 0.00 N ATOM 0 H HIS A 396 -15.217 -2.189 1.260 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.156 -1.308 3.321 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.440 -1.436 0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.760 -1.117 1.404 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.997 1.022 3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.483 0.899 -0.705 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.255 3.389 2.642 1.00 0.00 H new ATOM 658 N ASN A 397 -17.671 -3.713 3.629 1.00 0.00 N ATOM 659 CA ASN A 397 -18.154 -5.073 3.851 1.00 0.00 C ATOM 660 C ASN A 397 -19.672 -5.143 3.735 1.00 0.00 C ATOM 661 O ASN A 397 -20.357 -4.121 3.796 1.00 0.00 O ATOM 662 CB ASN A 397 -17.712 -5.577 5.226 1.00 0.00 C ATOM 663 CG ASN A 397 -18.226 -4.707 6.357 1.00 0.00 C ATOM 664 OD1 ASN A 397 -17.921 -3.517 6.427 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.009 -5.299 7.251 1.00 0.00 N ATOM 0 H ASN A 397 -17.510 -3.184 4.486 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.722 -5.712 3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.068 -6.598 5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -16.623 -5.611 5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.383 -4.764 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.236 -6.289 7.154 1.00 0.00 H new ATOM 672 N ASP A 398 -20.190 -6.358 3.567 1.00 0.00 N ATOM 673 CA ASP A 398 -21.629 -6.577 3.439 1.00 0.00 C ATOM 674 C ASP A 398 -22.173 -5.794 2.248 1.00 0.00 C ATOM 675 O ASP A 398 -23.300 -5.303 2.266 1.00 0.00 O ATOM 676 CB ASP A 398 -22.346 -6.162 4.730 1.00 0.00 C ATOM 677 CG ASP A 398 -23.747 -6.739 4.842 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.603 -6.408 3.996 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.987 -7.527 5.781 1.00 0.00 O ATOM 0 H ASP A 398 -19.631 -7.210 3.516 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.812 -7.638 3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -21.756 -6.486 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.402 -5.074 4.774 1.00 0.00 H new ATOM 684 N ALA A 399 -21.353 -5.685 1.212 1.00 0.00 N ATOM 685 CA ALA A 399 -21.733 -4.970 0.002 1.00 0.00 C ATOM 686 C ALA A 399 -22.468 -5.890 -0.965 1.00 0.00 C ATOM 687 O ALA A 399 -22.296 -7.108 -0.924 1.00 0.00 O ATOM 688 CB ALA A 399 -20.503 -4.371 -0.663 1.00 0.00 C ATOM 0 H ALA A 399 -20.415 -6.085 1.186 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.410 -4.162 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.801 -3.839 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.020 -3.677 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.806 -5.168 -0.924 1.00 0.00 H new ATOM 694 N GLU A 400 -23.281 -5.299 -1.836 1.00 0.00 N ATOM 695 CA GLU A 400 -24.036 -6.064 -2.821 1.00 0.00 C ATOM 696 C GLU A 400 -23.108 -6.988 -3.602 1.00 0.00 C ATOM 697 O GLU A 400 -23.529 -8.022 -4.121 1.00 0.00 O ATOM 698 CB GLU A 400 -24.763 -5.121 -3.782 1.00 0.00 C ATOM 699 CG GLU A 400 -25.725 -4.170 -3.088 1.00 0.00 C ATOM 700 CD GLU A 400 -26.416 -3.228 -4.055 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.143 -3.317 -5.271 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.228 -2.398 -3.596 1.00 0.00 O ATOM 0 H GLU A 400 -23.433 -4.291 -1.879 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.774 -6.670 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.025 -4.539 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.314 -5.714 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.477 -4.748 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.181 -3.587 -2.345 1.00 0.00 H new ATOM 709 N ASN A 401 -21.840 -6.599 -3.673 1.00 0.00 N ATOM 710 CA ASN A 401 -20.832 -7.375 -4.381 1.00 0.00 C ATOM 711 C ASN A 401 -19.434 -6.864 -4.043 1.00 0.00 C ATOM 712 O ASN A 401 -18.589 -6.707 -4.924 1.00 0.00 O ATOM 713 CB ASN A 401 -21.072 -7.305 -5.893 1.00 0.00 C ATOM 714 CG ASN A 401 -21.019 -5.890 -6.449 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.821 -4.901 -5.580 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.160 -5.685 -7.655 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.485 -5.744 -3.245 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.908 -8.415 -4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.325 -7.915 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.046 -7.740 -6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.310 -6.468 -8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.127 -4.732 -8.018 1.00 0.00 H new ATOM 723 N LYS A 402 -19.211 -6.599 -2.754 1.00 0.00 N ATOM 724 CA LYS A 402 -17.928 -6.091 -2.272 1.00 0.00 C ATOM 725 C LYS A 402 -17.656 -4.699 -2.835 1.00 0.00 C ATOM 726 O LYS A 402 -17.733 -4.485 -4.045 1.00 0.00 O ATOM 727 CB LYS A 402 -16.791 -7.042 -2.659 1.00 0.00 C ATOM 728 CG LYS A 402 -16.945 -8.445 -2.094 1.00 0.00 C ATOM 729 CD LYS A 402 -16.891 -8.446 -0.575 1.00 0.00 C ATOM 730 CE LYS A 402 -17.015 -9.851 -0.013 1.00 0.00 C ATOM 731 NZ LYS A 402 -15.937 -10.749 -0.513 1.00 0.00 N ATOM 0 H LYS A 402 -19.909 -6.730 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 402 -17.977 -6.027 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.734 -7.102 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -15.846 -6.623 -2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.893 -8.869 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.155 -9.085 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -15.952 -8.002 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -17.695 -7.824 -0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -16.977 -9.811 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.986 -10.265 -0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -16.142 -11.729 -0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -15.890 -10.690 -1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -15.025 -10.456 -0.108 1.00 0.00 H new ATOM 745 N LYS A 403 -17.347 -3.748 -1.957 1.00 0.00 N ATOM 746 CA LYS A 403 -17.079 -2.384 -2.399 1.00 0.00 C ATOM 747 C LYS A 403 -15.855 -1.793 -1.710 1.00 0.00 C ATOM 748 O LYS A 403 -15.590 -2.068 -0.544 1.00 0.00 O ATOM 749 CB LYS A 403 -18.299 -1.499 -2.146 1.00 0.00 C ATOM 750 CG LYS A 403 -19.538 -1.956 -2.898 1.00 0.00 C ATOM 751 CD LYS A 403 -20.690 -0.982 -2.723 1.00 0.00 C ATOM 752 CE LYS A 403 -21.914 -1.419 -3.511 1.00 0.00 C ATOM 753 NZ LYS A 403 -23.036 -0.453 -3.373 1.00 0.00 N ATOM 0 H LYS A 403 -17.277 -3.894 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.871 -2.421 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.515 -1.486 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -18.063 -0.475 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.304 -2.057 -3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.837 -2.942 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -20.945 -0.905 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.381 0.011 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.651 -1.521 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -22.236 -2.401 -3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -23.852 -0.787 -3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -23.305 -0.374 -2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.737 0.479 -3.726 1.00 0.00 H new ATOM 767 N CYS A 404 -15.116 -0.973 -2.451 1.00 0.00 N ATOM 768 CA CYS A 404 -13.916 -0.323 -1.932 1.00 0.00 C ATOM 769 C CYS A 404 -13.700 1.015 -2.636 1.00 0.00 C ATOM 770 O CYS A 404 -13.623 1.073 -3.864 1.00 0.00 O ATOM 771 CB CYS A 404 -12.691 -1.227 -2.128 1.00 0.00 C ATOM 772 SG CYS A 404 -11.116 -0.504 -1.557 1.00 0.00 S ATOM 0 H CYS A 404 -15.329 -0.741 -3.421 1.00 0.00 H new ATOM 0 HA CYS A 404 -14.049 -0.144 -0.865 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.859 -2.164 -1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.601 -1.471 -3.187 1.00 0.00 H new ATOM 777 N THR A 405 -13.614 2.087 -1.855 1.00 0.00 N ATOM 778 CA THR A 405 -13.418 3.425 -2.406 1.00 0.00 C ATOM 779 C THR A 405 -12.446 4.228 -1.550 1.00 0.00 C ATOM 780 O THR A 405 -12.535 4.219 -0.324 1.00 0.00 O ATOM 781 CB THR A 405 -14.749 4.194 -2.508 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.331 4.343 -1.206 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.725 3.472 -3.425 1.00 0.00 C ATOM 0 H THR A 405 -13.677 2.056 -0.837 1.00 0.00 H new ATOM 0 HA THR A 405 -13.005 3.299 -3.407 1.00 0.00 H new ATOM 0 HB THR A 405 -14.541 5.178 -2.928 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.697 3.483 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.657 4.035 -3.480 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.293 3.387 -4.422 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.926 2.476 -3.031 1.00 0.00 H new ATOM 791 N LEU A 406 -11.515 4.912 -2.207 1.00 0.00 N ATOM 792 CA LEU A 406 -10.514 5.709 -1.512 1.00 0.00 C ATOM 793 C LEU A 406 -11.148 6.724 -0.574 1.00 0.00 C ATOM 794 O LEU A 406 -12.070 7.449 -0.950 1.00 0.00 O ATOM 795 CB LEU A 406 -9.619 6.450 -2.507 1.00 0.00 C ATOM 796 CG LEU A 406 -8.531 7.307 -1.858 1.00 0.00 C ATOM 797 CD1 LEU A 406 -7.500 6.430 -1.163 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.865 8.210 -2.880 1.00 0.00 C ATOM 0 H LEU A 406 -11.434 4.929 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.916 5.013 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.146 5.721 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.242 7.088 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 406 -9.005 7.941 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -6.735 7.059 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -7.989 5.837 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -7.037 5.765 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.096 8.808 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.410 7.601 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -8.611 8.870 -3.323 1.00 0.00 H new ATOM 810 N ASP A 407 -10.619 6.790 0.640 1.00 0.00 N ATOM 811 CA ASP A 407 -11.099 7.740 1.634 1.00 0.00 C ATOM 812 C ASP A 407 -10.102 8.884 1.760 1.00 0.00 C ATOM 813 O ASP A 407 -8.912 8.652 1.971 1.00 0.00 O ATOM 814 CB ASP A 407 -11.288 7.053 2.987 1.00 0.00 C ATOM 815 CG ASP A 407 -11.786 8.006 4.055 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.876 8.587 3.871 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.086 8.172 5.076 1.00 0.00 O ATOM 0 H ASP A 407 -9.855 6.195 0.961 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.064 8.133 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.996 6.231 2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.341 6.618 3.306 1.00 0.00 H new ATOM 822 N LYS A 408 -10.579 10.115 1.617 1.00 0.00 N ATOM 823 CA LYS A 408 -9.705 11.279 1.704 1.00 0.00 C ATOM 824 C LYS A 408 -8.996 11.332 3.053 1.00 0.00 C ATOM 825 O LYS A 408 -7.785 11.529 3.118 1.00 0.00 O ATOM 826 CB LYS A 408 -10.497 12.566 1.485 1.00 0.00 C ATOM 827 CG LYS A 408 -11.203 12.629 0.140 1.00 0.00 C ATOM 828 CD LYS A 408 -12.002 13.915 -0.017 1.00 0.00 C ATOM 829 CE LYS A 408 -11.108 15.144 0.034 1.00 0.00 C ATOM 830 NZ LYS A 408 -10.077 15.127 -1.041 1.00 0.00 N ATOM 0 H LYS A 408 -11.560 10.332 1.441 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.954 11.188 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.237 12.666 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.821 13.417 1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.467 12.558 -0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.869 11.772 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.540 13.896 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.751 13.977 0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.719 16.041 -0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.618 15.196 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -9.624 16.061 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -9.358 14.408 -0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -10.527 14.900 -1.950 1.00 0.00 H new ATOM 844 N GLU A 409 -9.759 11.155 4.126 1.00 0.00 N ATOM 845 CA GLU A 409 -9.203 11.183 5.472 1.00 0.00 C ATOM 846 C GLU A 409 -8.110 10.130 5.630 1.00 0.00 C ATOM 847 O GLU A 409 -7.071 10.386 6.236 1.00 0.00 O ATOM 848 CB GLU A 409 -10.309 10.950 6.504 1.00 0.00 C ATOM 849 CG GLU A 409 -9.823 11.020 7.940 1.00 0.00 C ATOM 850 CD GLU A 409 -10.933 10.791 8.948 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.088 10.577 8.522 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.648 10.827 10.164 1.00 0.00 O ATOM 0 H GLU A 409 -10.765 10.991 4.089 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.761 12.165 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.093 11.693 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.759 9.973 6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.042 10.275 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.372 11.996 8.119 1.00 0.00 H new ATOM 859 N GLU A 410 -8.355 8.947 5.076 1.00 0.00 N ATOM 860 CA GLU A 410 -7.394 7.852 5.152 1.00 0.00 C ATOM 861 C GLU A 410 -6.125 8.187 4.372 1.00 0.00 C ATOM 862 O GLU A 410 -5.017 8.056 4.891 1.00 0.00 O ATOM 863 CB GLU A 410 -8.017 6.562 4.612 1.00 0.00 C ATOM 864 CG GLU A 410 -7.110 5.344 4.718 1.00 0.00 C ATOM 865 CD GLU A 410 -6.788 4.968 6.153 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.158 5.786 6.858 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.166 3.854 6.573 1.00 0.00 O ATOM 0 H GLU A 410 -9.211 8.722 4.569 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.126 7.706 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.941 6.362 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.287 6.711 3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.588 4.498 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.181 5.542 4.183 1.00 0.00 H new ATOM 874 N ALA A 411 -6.297 8.623 3.126 1.00 0.00 N ATOM 875 CA ALA A 411 -5.169 8.983 2.275 1.00 0.00 C ATOM 876 C ALA A 411 -4.285 10.028 2.944 1.00 0.00 C ATOM 877 O ALA A 411 -3.059 9.940 2.900 1.00 0.00 O ATOM 878 CB ALA A 411 -5.675 9.506 0.940 1.00 0.00 C ATOM 0 H ALA A 411 -7.209 8.735 2.684 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.568 8.089 2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.827 9.773 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.265 8.734 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.296 10.387 1.106 1.00 0.00 H new ATOM 884 N LYS A 412 -4.922 11.015 3.558 1.00 0.00 N ATOM 885 CA LYS A 412 -4.210 12.088 4.239 1.00 0.00 C ATOM 886 C LYS A 412 -3.359 11.549 5.385 1.00 0.00 C ATOM 887 O LYS A 412 -2.206 11.943 5.550 1.00 0.00 O ATOM 888 CB LYS A 412 -5.210 13.116 4.764 1.00 0.00 C ATOM 889 CG LYS A 412 -5.980 13.828 3.664 1.00 0.00 C ATOM 890 CD LYS A 412 -7.115 14.666 4.227 1.00 0.00 C ATOM 891 CE LYS A 412 -7.892 15.362 3.121 1.00 0.00 C ATOM 892 NZ LYS A 412 -9.032 16.158 3.654 1.00 0.00 N ATOM 0 H LYS A 412 -5.938 11.095 3.599 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.541 12.564 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.917 12.618 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.678 13.856 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.301 14.467 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.381 13.093 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.788 14.030 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.713 15.410 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.222 16.017 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -8.267 14.618 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -9.534 16.615 2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -9.686 15.530 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.673 16.885 4.305 1.00 0.00 H new ATOM 906 N LYS A 413 -3.935 10.648 6.177 1.00 0.00 N ATOM 907 CA LYS A 413 -3.224 10.061 7.308 1.00 0.00 C ATOM 908 C LYS A 413 -2.052 9.203 6.839 1.00 0.00 C ATOM 909 O LYS A 413 -0.957 9.280 7.397 1.00 0.00 O ATOM 910 CB LYS A 413 -4.180 9.228 8.165 1.00 0.00 C ATOM 911 CG LYS A 413 -5.302 10.043 8.789 1.00 0.00 C ATOM 912 CD LYS A 413 -6.202 9.187 9.669 1.00 0.00 C ATOM 913 CE LYS A 413 -6.929 8.120 8.865 1.00 0.00 C ATOM 914 NZ LYS A 413 -7.820 7.289 9.721 1.00 0.00 N ATOM 0 H LYS A 413 -4.890 10.310 6.056 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.826 10.876 7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.613 8.439 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.613 8.739 8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.876 10.852 9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.897 10.505 8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -5.604 8.712 10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -6.931 9.823 10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -7.519 8.595 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -6.200 7.479 8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -8.297 6.574 9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -7.254 6.815 10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -8.532 7.897 10.173 1.00 0.00 H new ATOM 928 N VAL A 414 -2.286 8.390 5.812 1.00 0.00 N ATOM 929 CA VAL A 414 -1.243 7.522 5.274 1.00 0.00 C ATOM 930 C VAL A 414 -0.081 8.343 4.722 1.00 0.00 C ATOM 931 O VAL A 414 1.083 8.051 4.998 1.00 0.00 O ATOM 932 CB VAL A 414 -1.789 6.607 4.159 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.688 5.710 3.613 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.954 5.776 4.675 1.00 0.00 C ATOM 0 H VAL A 414 -3.186 8.314 5.337 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.890 6.902 6.098 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.150 7.235 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.094 5.073 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.113 6.325 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.293 5.089 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.327 5.136 3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.619 5.158 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.752 6.438 5.012 1.00 0.00 H new ATOM 944 N ALA A 415 -0.407 9.372 3.947 1.00 0.00 N ATOM 945 CA ALA A 415 0.607 10.241 3.360 1.00 0.00 C ATOM 946 C ALA A 415 1.370 10.991 4.446 1.00 0.00 C ATOM 947 O ALA A 415 2.584 11.171 4.355 1.00 0.00 O ATOM 948 CB ALA A 415 -0.034 11.221 2.388 1.00 0.00 C ATOM 0 H ALA A 415 -1.366 9.625 3.710 1.00 0.00 H new ATOM 0 HA ALA A 415 1.315 9.620 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.735 11.863 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.533 10.669 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.764 11.834 2.917 1.00 0.00 H new ATOM 954 N ASP A 416 0.644 11.424 5.473 1.00 0.00 N ATOM 955 CA ASP A 416 1.242 12.153 6.587 1.00 0.00 C ATOM 956 C ASP A 416 1.900 11.186 7.567 1.00 0.00 C ATOM 957 O ASP A 416 1.831 11.365 8.783 1.00 0.00 O ATOM 958 CB ASP A 416 0.176 12.984 7.303 1.00 0.00 C ATOM 959 CG ASP A 416 0.762 13.931 8.334 1.00 0.00 C ATOM 960 OD1 ASP A 416 2.004 13.985 8.455 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.023 14.622 9.018 1.00 0.00 O ATOM 0 H ASP A 416 -0.363 11.282 5.557 1.00 0.00 H new ATOM 0 HA ASP A 416 2.008 12.822 6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.385 13.559 6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.532 12.315 7.792 1.00 0.00 H new ATOM 966 N GLU A 417 2.533 10.158 7.021 1.00 0.00 N ATOM 967 CA GLU A 417 3.201 9.152 7.811 1.00 0.00 C ATOM 968 C GLU A 417 4.383 8.572 7.042 1.00 0.00 C ATOM 969 O GLU A 417 5.488 8.460 7.572 1.00 0.00 O ATOM 970 CB GLU A 417 2.219 8.045 8.176 1.00 0.00 C ATOM 971 CG GLU A 417 2.903 6.854 8.795 1.00 0.00 C ATOM 972 CD GLU A 417 1.945 5.918 9.506 1.00 0.00 C ATOM 973 OE1 GLU A 417 0.730 6.210 9.522 1.00 0.00 O ATOM 974 OE2 GLU A 417 2.409 4.892 10.047 1.00 0.00 O ATOM 0 H GLU A 417 2.594 10.004 6.015 1.00 0.00 H new ATOM 0 HA GLU A 417 3.575 9.613 8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 417 1.476 8.436 8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 417 1.683 7.729 7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 417 3.431 6.302 8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 417 3.654 7.202 9.504 1.00 0.00 H new ATOM 981 N THR A 418 4.143 8.214 5.782 1.00 0.00 N ATOM 982 CA THR A 418 5.188 7.656 4.934 1.00 0.00 C ATOM 983 C THR A 418 6.045 8.763 4.324 1.00 0.00 C ATOM 984 O THR A 418 6.611 8.602 3.241 1.00 0.00 O ATOM 985 CB THR A 418 4.592 6.795 3.809 1.00 0.00 C ATOM 986 OG1 THR A 418 5.638 6.223 3.015 1.00 0.00 O ATOM 987 CG2 THR A 418 3.683 7.632 2.933 1.00 0.00 C ATOM 0 H THR A 418 3.234 8.301 5.328 1.00 0.00 H new ATOM 0 HA THR A 418 5.814 7.026 5.566 1.00 0.00 H new ATOM 0 HB THR A 418 4.009 5.992 4.260 1.00 0.00 H new ATOM 0 HG1 THR A 418 6.354 6.881 2.895 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.268 7.010 2.140 1.00 0.00 H new ATOM 0 HG22 THR A 418 2.872 8.041 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 418 4.254 8.449 2.492 1.00 0.00 H new ATOM 995 N ALA A 419 6.138 9.885 5.033 1.00 0.00 N ATOM 996 CA ALA A 419 6.924 11.028 4.581 1.00 0.00 C ATOM 997 C ALA A 419 6.877 12.153 5.611 1.00 0.00 C ATOM 998 O ALA A 419 6.849 13.332 5.259 1.00 0.00 O ATOM 999 CB ALA A 419 6.416 11.527 3.235 1.00 0.00 C ATOM 0 H ALA A 419 5.674 10.027 5.930 1.00 0.00 H new ATOM 0 HA ALA A 419 7.959 10.706 4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 419 7.014 12.380 2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.496 10.729 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 419 5.373 11.830 3.329 1.00 0.00 H new ATOM 1005 N LYS A 420 6.865 11.775 6.885 1.00 0.00 N ATOM 1006 CA LYS A 420 6.816 12.745 7.974 1.00 0.00 C ATOM 1007 C LYS A 420 8.010 13.695 7.918 1.00 0.00 C ATOM 1008 O LYS A 420 7.886 14.880 8.228 1.00 0.00 O ATOM 1009 CB LYS A 420 6.787 12.027 9.325 1.00 0.00 C ATOM 1010 CG LYS A 420 8.032 11.202 9.605 1.00 0.00 C ATOM 1011 CD LYS A 420 7.966 10.538 10.969 1.00 0.00 C ATOM 1012 CE LYS A 420 9.244 9.775 11.280 1.00 0.00 C ATOM 1013 NZ LYS A 420 10.432 10.672 11.315 1.00 0.00 N ATOM 0 H LYS A 420 6.889 10.802 7.190 1.00 0.00 H new ATOM 0 HA LYS A 420 5.904 13.331 7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 420 6.666 12.766 10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 420 5.914 11.375 9.361 1.00 0.00 H new ATOM 0 HG2 LYS A 420 8.146 10.440 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 420 8.913 11.842 9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 420 7.797 11.295 11.735 1.00 0.00 H new ATOM 0 HD3 LYS A 420 7.117 9.856 11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 420 9.141 9.271 12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 420 9.396 9.000 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 11.221 10.185 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 10.709 10.920 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 10.197 11.539 11.840 1.00 0.00 H new ATOM 1027 N ASP A 421 9.165 13.163 7.529 1.00 0.00 N ATOM 1028 CA ASP A 421 10.386 13.957 7.440 1.00 0.00 C ATOM 1029 C ASP A 421 10.187 15.181 6.549 1.00 0.00 C ATOM 1030 O ASP A 421 9.607 15.088 5.467 1.00 0.00 O ATOM 1031 CB ASP A 421 11.535 13.101 6.903 1.00 0.00 C ATOM 1032 CG ASP A 421 12.834 13.878 6.799 1.00 0.00 C ATOM 1033 OD1 ASP A 421 13.314 14.373 7.840 1.00 0.00 O ATOM 1034 OD2 ASP A 421 13.371 13.989 5.676 1.00 0.00 O ATOM 0 H ASP A 421 9.281 12.183 7.270 1.00 0.00 H new ATOM 0 HA ASP A 421 10.634 14.304 8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 421 11.680 12.241 7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 421 11.267 12.713 5.920 1.00 0.00 H new ATOM 1039 N GLY A 422 10.673 16.327 7.015 1.00 0.00 N ATOM 1040 CA GLY A 422 10.545 17.557 6.255 1.00 0.00 C ATOM 1041 C GLY A 422 11.156 18.742 6.975 1.00 0.00 C ATOM 1042 O GLY A 422 10.577 19.830 6.996 1.00 0.00 O ATOM 0 H GLY A 422 11.155 16.426 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 422 11.028 17.435 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 422 9.491 17.755 6.063 1.00 0.00 H new ATOM 1046 N LYS A 423 12.327 18.527 7.568 1.00 0.00 N ATOM 1047 CA LYS A 423 13.028 19.578 8.300 1.00 0.00 C ATOM 1048 C LYS A 423 14.395 19.081 8.767 1.00 0.00 C ATOM 1049 O LYS A 423 14.676 19.036 9.965 1.00 0.00 O ATOM 1050 CB LYS A 423 12.195 20.042 9.500 1.00 0.00 C ATOM 1051 CG LYS A 423 12.799 21.223 10.246 1.00 0.00 C ATOM 1052 CD LYS A 423 11.939 21.635 11.430 1.00 0.00 C ATOM 1053 CE LYS A 423 12.557 22.802 12.185 1.00 0.00 C ATOM 1054 NZ LYS A 423 13.906 22.468 12.717 1.00 0.00 N ATOM 0 H LYS A 423 12.812 17.630 7.556 1.00 0.00 H new ATOM 0 HA LYS A 423 13.175 20.425 7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 423 11.197 20.314 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 423 12.077 19.209 10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 423 13.798 20.962 10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 423 12.910 22.067 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.944 21.912 11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 423 11.816 20.788 12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 423 12.632 23.664 11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 423 11.903 23.089 13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 14.199 23.194 13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 13.874 21.541 13.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 14.590 22.435 11.934 1.00 0.00 H new ATOM 1068 N THR A 424 15.237 18.698 7.811 1.00 0.00 N ATOM 1069 CA THR A 424 16.573 18.195 8.118 1.00 0.00 C ATOM 1070 C THR A 424 17.317 19.141 9.057 1.00 0.00 C ATOM 1071 O THR A 424 17.303 20.357 8.867 1.00 0.00 O ATOM 1072 CB THR A 424 17.406 17.998 6.837 1.00 0.00 C ATOM 1073 OG1 THR A 424 16.735 17.092 5.951 1.00 0.00 O ATOM 1074 CG2 THR A 424 18.790 17.458 7.165 1.00 0.00 C ATOM 0 H THR A 424 15.017 18.726 6.815 1.00 0.00 H new ATOM 0 HA THR A 424 16.443 17.231 8.610 1.00 0.00 H new ATOM 0 HB THR A 424 17.518 18.968 6.352 1.00 0.00 H new ATOM 0 HG1 THR A 424 17.270 16.973 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 424 19.358 17.328 6.244 1.00 0.00 H new ATOM 0 HG22 THR A 424 19.310 18.161 7.815 1.00 0.00 H new ATOM 0 HG23 THR A 424 18.695 16.497 7.671 1.00 0.00 H new ATOM 1082 N GLY A 425 17.961 18.572 10.071 1.00 0.00 N ATOM 1083 CA GLY A 425 18.699 19.376 11.028 1.00 0.00 C ATOM 1084 C GLY A 425 19.349 18.536 12.109 1.00 0.00 C ATOM 1085 O GLY A 425 19.215 18.828 13.297 1.00 0.00 O ATOM 0 H GLY A 425 17.985 17.568 10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 425 19.466 19.946 10.504 1.00 0.00 H new ATOM 0 HA3 GLY A 425 18.024 20.098 11.489 1.00 0.00 H new ATOM 1089 N ASN A 426 20.055 17.488 11.693 1.00 0.00 N ATOM 1090 CA ASN A 426 20.732 16.597 12.628 1.00 0.00 C ATOM 1091 C ASN A 426 21.699 17.369 13.520 1.00 0.00 C ATOM 1092 O ASN A 426 22.406 18.265 13.057 1.00 0.00 O ATOM 1093 CB ASN A 426 21.484 15.504 11.865 1.00 0.00 C ATOM 1094 CG ASN A 426 20.558 14.643 11.029 1.00 0.00 C ATOM 1095 OD1 ASN A 426 19.658 13.988 11.553 1.00 0.00 O ATOM 1096 ND2 ASN A 426 20.775 14.641 9.719 1.00 0.00 N ATOM 0 H ASN A 426 20.173 17.235 10.712 1.00 0.00 H new ATOM 0 HA ASN A 426 19.976 16.136 13.263 1.00 0.00 H new ATOM 0 HB2 ASN A 426 22.231 15.964 11.218 1.00 0.00 H new ATOM 0 HB3 ASN A 426 22.021 14.874 12.574 1.00 0.00 H new ATOM 0 HD21 ASN A 426 20.184 14.081 9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 426 21.533 15.199 9.327 1.00 0.00 H new ATOM 1103 N THR A 427 21.721 17.018 14.803 1.00 0.00 N ATOM 1104 CA THR A 427 22.597 17.675 15.766 1.00 0.00 C ATOM 1105 C THR A 427 24.060 17.563 15.350 1.00 0.00 C ATOM 1106 O THR A 427 24.828 18.515 15.490 1.00 0.00 O ATOM 1107 CB THR A 427 22.432 17.080 17.177 1.00 0.00 C ATOM 1108 OG1 THR A 427 22.757 15.685 17.163 1.00 0.00 O ATOM 1109 CG2 THR A 427 21.010 17.269 17.682 1.00 0.00 C ATOM 0 H THR A 427 21.140 16.280 15.200 1.00 0.00 H new ATOM 0 HA THR A 427 22.307 18.725 15.786 1.00 0.00 H new ATOM 0 HB THR A 427 23.112 17.604 17.849 1.00 0.00 H new ATOM 0 HG1 THR A 427 22.651 15.315 18.064 1.00 0.00 H new ATOM 0 HG21 THR A 427 20.918 16.841 18.680 1.00 0.00 H new ATOM 0 HG22 THR A 427 20.776 18.333 17.721 1.00 0.00 H new ATOM 0 HG23 THR A 427 20.315 16.769 17.007 1.00 0.00 H new ATOM 1117 N ASN A 428 24.439 16.395 14.838 1.00 0.00 N ATOM 1118 CA ASN A 428 25.806 16.158 14.403 1.00 0.00 C ATOM 1119 C ASN A 428 25.912 14.829 13.664 1.00 0.00 C ATOM 1120 O ASN A 428 25.216 13.869 13.997 1.00 0.00 O ATOM 1121 CB ASN A 428 26.762 16.173 15.597 1.00 0.00 C ATOM 1122 CG ASN A 428 28.206 15.967 15.186 1.00 0.00 C ATOM 1123 OD1 ASN A 428 28.759 16.748 14.410 1.00 0.00 O ATOM 1124 ND2 ASN A 428 28.826 14.913 15.703 1.00 0.00 N ATOM 0 H ASN A 428 23.814 15.598 14.715 1.00 0.00 H new ATOM 0 HA ASN A 428 26.088 16.960 13.721 1.00 0.00 H new ATOM 0 HB2 ASN A 428 26.669 17.124 16.121 1.00 0.00 H new ATOM 0 HB3 ASN A 428 26.473 15.392 16.300 1.00 0.00 H new ATOM 0 HD21 ASN A 428 29.799 14.724 15.461 1.00 0.00 H new ATOM 0 HD22 ASN A 428 28.330 14.292 16.342 1.00 0.00 H new ATOM 1131 N THR A 429 26.780 14.782 12.656 1.00 0.00 N ATOM 1132 CA THR A 429 26.970 13.571 11.865 1.00 0.00 C ATOM 1133 C THR A 429 27.228 12.364 12.760 1.00 0.00 C ATOM 1134 O THR A 429 28.068 12.410 13.659 1.00 0.00 O ATOM 1135 CB THR A 429 28.135 13.723 10.869 1.00 0.00 C ATOM 1136 OG1 THR A 429 28.328 12.498 10.151 1.00 0.00 O ATOM 1137 CG2 THR A 429 29.423 14.103 11.586 1.00 0.00 C ATOM 0 H THR A 429 27.362 15.569 12.369 1.00 0.00 H new ATOM 0 HA THR A 429 26.048 13.412 11.306 1.00 0.00 H new ATOM 0 HB THR A 429 27.881 14.520 10.171 1.00 0.00 H new ATOM 0 HG1 THR A 429 29.069 12.603 9.518 1.00 0.00 H new ATOM 0 HG21 THR A 429 30.228 14.204 10.858 1.00 0.00 H new ATOM 0 HG22 THR A 429 29.284 15.051 12.106 1.00 0.00 H new ATOM 0 HG23 THR A 429 29.680 13.327 12.307 1.00 0.00 H new ATOM 1145 N THR A 430 26.493 11.286 12.504 1.00 0.00 N ATOM 1146 CA THR A 430 26.628 10.058 13.280 1.00 0.00 C ATOM 1147 C THR A 430 26.360 10.320 14.762 1.00 0.00 C ATOM 1148 O THR A 430 27.084 9.836 15.634 1.00 0.00 O ATOM 1149 CB THR A 430 28.030 9.438 13.109 1.00 0.00 C ATOM 1150 OG1 THR A 430 28.374 9.388 11.720 1.00 0.00 O ATOM 1151 CG2 THR A 430 28.077 8.029 13.687 1.00 0.00 C ATOM 0 H THR A 430 25.795 11.238 11.762 1.00 0.00 H new ATOM 0 HA THR A 430 25.888 9.352 12.903 1.00 0.00 H new ATOM 0 HB THR A 430 28.744 10.062 13.646 1.00 0.00 H new ATOM 0 HG1 THR A 430 29.266 8.995 11.618 1.00 0.00 H new ATOM 0 HG21 THR A 430 29.076 7.614 13.554 1.00 0.00 H new ATOM 0 HG22 THR A 430 27.837 8.064 14.750 1.00 0.00 H new ATOM 0 HG23 THR A 430 27.351 7.400 13.172 1.00 0.00 H new ATOM 1159 N GLY A 431 25.312 11.090 15.043 1.00 0.00 N ATOM 1160 CA GLY A 431 24.965 11.397 16.419 1.00 0.00 C ATOM 1161 C GLY A 431 24.463 10.181 17.176 1.00 0.00 C ATOM 1162 O GLY A 431 25.018 9.090 17.049 1.00 0.00 O ATOM 0 H GLY A 431 24.698 11.506 14.343 1.00 0.00 H new ATOM 0 HA2 GLY A 431 25.839 11.803 16.929 1.00 0.00 H new ATOM 0 HA3 GLY A 431 24.199 12.172 16.433 1.00 0.00 H new ATOM 1166 N SER A 432 23.410 10.370 17.966 1.00 0.00 N ATOM 1167 CA SER A 432 22.833 9.280 18.745 1.00 0.00 C ATOM 1168 C SER A 432 21.920 8.411 17.882 1.00 0.00 C ATOM 1169 O SER A 432 20.713 8.337 18.118 1.00 0.00 O ATOM 1170 CB SER A 432 22.053 9.835 19.938 1.00 0.00 C ATOM 1171 OG SER A 432 22.904 10.555 20.813 1.00 0.00 O ATOM 0 H SER A 432 22.939 11.267 18.083 1.00 0.00 H new ATOM 0 HA SER A 432 23.650 8.659 19.111 1.00 0.00 H new ATOM 0 HB2 SER A 432 21.255 10.487 19.583 1.00 0.00 H new ATOM 0 HB3 SER A 432 21.579 9.016 20.479 1.00 0.00 H new ATOM 0 HG SER A 432 22.381 10.901 21.566 1.00 0.00 H new ATOM 1177 N SER A 433 22.502 7.755 16.882 1.00 0.00 N ATOM 1178 CA SER A 433 21.737 6.892 15.988 1.00 0.00 C ATOM 1179 C SER A 433 21.154 5.703 16.745 1.00 0.00 C ATOM 1180 O SER A 433 19.968 5.382 16.518 1.00 0.00 O ATOM 1181 CB SER A 433 22.618 6.400 14.839 1.00 0.00 C ATOM 1182 OG SER A 433 21.888 5.564 13.958 1.00 0.00 O ATOM 1183 OXT SER A 433 21.888 5.103 17.558 1.00 0.00 O ATOM 0 H SER A 433 23.499 7.804 16.671 1.00 0.00 H new ATOM 0 HA SER A 433 20.913 7.477 15.578 1.00 0.00 H new ATOM 0 HB2 SER A 433 23.015 7.254 14.290 1.00 0.00 H new ATOM 0 HB3 SER A 433 23.472 5.854 15.240 1.00 0.00 H new ATOM 0 HG SER A 433 22.473 5.264 13.231 1.00 0.00 H new TER 1189 SER A 433