USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=31 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 426 ASN : amide:sc= -0.0574 K(o=-2.4,f=-5.4!) USER MOD Set 1.2: A 428 ASN :FLIP amide:sc= -2.33! C(o=-5.7!,f=-2.4!) USER MOD Single : A 355 SER OG : rot -40:sc= 0.914 USER MOD Single : A 356 HIS :FLIP no HD1:sc= -0.0468 F(o=-1.1,f=-0.047) USER MOD Single : A 357 MET CE :methyl 160:sc= -0.171 (180deg=-0.667) USER MOD Single : A 362 THR OG1 : rot -132:sc= 0.487 USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 LYS NZ :NH3+ 173:sc= 0.13 (180deg=0.0939) USER MOD Single : A 365 HIS : no HD1:sc= -0.934 K(o=-0.93,f=-2.1!) 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 GLN : amide:sc= -2.34 K(o=-2.3,f=-4.1!) USER MOD Single : A 373 GLN :FLIP amide:sc= -3.55! C(o=-6.9!,f=-3.5!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -3.02! C(o=-8.2!,f=-3!) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -134:sc= 1.08 (180deg=-0.164) USER MOD Single : A 386 GLN : amide:sc= 0.0313 X(o=0.031,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.127 K(o=0.13,f=-3.7!) USER MOD Single : A 390 LYS NZ :NH3+ -142:sc= -0.207 (180deg=-2.56!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -173:sc= 0.556 (180deg=0.367) USER MOD Single : A 396 HIS : no HD1:sc= -0.0587 X(o=-0.059,f=-0.066) USER MOD Single : A 397 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.7!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.626 F(o=-4.3!,f=-0.63) USER MOD Single : A 402 LYS NZ :NH3+ 165:sc= -0.0286 (180deg=-0.278) USER MOD Single : A 403 LYS NZ :NH3+ 166:sc= -0.0469 (180deg=-0.264) USER MOD Single : A 405 THR OG1 : rot 37:sc= 0.129 USER MOD Single : A 408 LYS NZ :NH3+ -166:sc= -0.0439 (180deg=-0.235) USER MOD Single : A 412 LYS NZ :NH3+ 166:sc= -0.0436 (180deg=-0.265) USER MOD Single : A 413 LYS NZ :NH3+ 167:sc= -0.0371 (180deg=-0.265) USER MOD Single : A 418 THR OG1 : rot -52:sc= 1.05 USER MOD Single : A 420 LYS NZ :NH3+ -109:sc= -1.04 (180deg=-3.4!) USER MOD Single : A 423 LYS NZ :NH3+ -166:sc= -0.043 (180deg=-0.279) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 429 THR OG1 : rot 31:sc= 0.329 USER MOD Single : A 430 THR OG1 : rot 12:sc= 0.671 USER MOD Single : A 432 SER OG : rot 29:sc= 0.198 USER MOD Single : A 433 SER OG : rot -10:sc= 0.857 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 13.244 -0.112 -19.824 1.00 0.00 N ATOM 2 CA GLY A 354 13.834 1.098 -19.188 1.00 0.00 C ATOM 3 C GLY A 354 14.257 0.847 -17.754 1.00 0.00 C ATOM 4 O GLY A 354 14.006 1.670 -16.873 1.00 0.00 O ATOM 0 HA2 GLY A 354 14.698 1.425 -19.767 1.00 0.00 H new ATOM 0 HA3 GLY A 354 13.107 1.910 -19.213 1.00 0.00 H new ATOM 10 N SER A 355 14.898 -0.294 -17.520 1.00 0.00 N ATOM 11 CA SER A 355 15.357 -0.656 -16.183 1.00 0.00 C ATOM 12 C SER A 355 16.655 0.069 -15.830 1.00 0.00 C ATOM 13 O SER A 355 17.559 -0.512 -15.227 1.00 0.00 O ATOM 14 CB SER A 355 15.556 -2.171 -16.087 1.00 0.00 C ATOM 15 OG SER A 355 15.952 -2.553 -14.781 1.00 0.00 O ATOM 0 H SER A 355 15.112 -0.985 -18.240 1.00 0.00 H new ATOM 0 HA SER A 355 14.593 -0.349 -15.468 1.00 0.00 H new ATOM 0 HB2 SER A 355 14.629 -2.680 -16.353 1.00 0.00 H new ATOM 0 HB3 SER A 355 16.311 -2.488 -16.806 1.00 0.00 H new ATOM 0 HG SER A 355 16.588 -1.897 -14.427 1.00 0.00 H new ATOM 21 N HIS A 356 16.741 1.343 -16.205 1.00 0.00 N ATOM 22 CA HIS A 356 17.926 2.144 -15.923 1.00 0.00 C ATOM 23 C HIS A 356 18.037 2.420 -14.425 1.00 0.00 C ATOM 24 O HIS A 356 17.057 2.800 -13.788 1.00 0.00 O ATOM 25 CB HIS A 356 17.866 3.465 -16.697 1.00 0.00 C ATOM 26 CG HIS A 356 19.128 4.275 -16.631 1.00 0.00 C ATOM 27 ND1 HIS A 356 20.336 4.003 -16.077 1.00 0.00 N flip ATOM 28 CD2 HIS A 356 19.240 5.530 -17.191 1.00 0.00 C flip ATOM 29 CE1 HIS A 356 21.144 5.088 -16.314 1.00 0.00 C flip ATOM 30 NE2 HIS A 356 20.460 5.994 -16.987 1.00 0.00 N flip ATOM 0 H HIS A 356 16.004 1.841 -16.704 1.00 0.00 H new ATOM 0 HA HIS A 356 18.807 1.586 -16.242 1.00 0.00 H new ATOM 0 HB2 HIS A 356 17.639 3.251 -17.741 1.00 0.00 H new ATOM 0 HB3 HIS A 356 17.042 4.064 -16.308 1.00 0.00 H new ATOM 0 HD2 HIS A 356 18.453 6.052 -17.715 1.00 0.00 H new ATOM 0 HE1 HIS A 356 22.173 5.184 -16.000 1.00 0.00 H new ATOM 0 HE2 HIS A 356 20.813 6.899 -17.297 1.00 0.00 H new ATOM 39 N MET A 357 19.238 2.223 -13.877 1.00 0.00 N ATOM 40 CA MET A 357 19.494 2.444 -12.452 1.00 0.00 C ATOM 41 C MET A 357 18.731 1.443 -11.592 1.00 0.00 C ATOM 42 O MET A 357 19.319 0.515 -11.033 1.00 0.00 O ATOM 43 CB MET A 357 19.113 3.873 -12.053 1.00 0.00 C ATOM 44 CG MET A 357 19.307 4.166 -10.573 1.00 0.00 C ATOM 45 SD MET A 357 21.026 4.012 -10.052 1.00 0.00 S ATOM 46 CE MET A 357 21.800 5.271 -11.064 1.00 0.00 C ATOM 0 H MET A 357 20.054 1.909 -14.403 1.00 0.00 H new ATOM 0 HA MET A 357 20.561 2.299 -12.281 1.00 0.00 H new ATOM 0 HB2 MET A 357 19.710 4.575 -12.635 1.00 0.00 H new ATOM 0 HB3 MET A 357 18.070 4.048 -12.316 1.00 0.00 H new ATOM 0 HG2 MET A 357 18.955 5.175 -10.358 1.00 0.00 H new ATOM 0 HG3 MET A 357 18.692 3.482 -9.988 1.00 0.00 H new ATOM 0 HE1 MET A 357 22.759 5.550 -10.628 1.00 0.00 H new ATOM 0 HE2 MET A 357 21.958 4.883 -12.070 1.00 0.00 H new ATOM 0 HE3 MET A 357 21.154 6.148 -11.111 1.00 0.00 H new ATOM 56 N LEU A 358 17.422 1.635 -11.487 1.00 0.00 N ATOM 57 CA LEU A 358 16.578 0.749 -10.695 1.00 0.00 C ATOM 58 C LEU A 358 16.559 -0.654 -11.294 1.00 0.00 C ATOM 59 O LEU A 358 16.316 -0.825 -12.489 1.00 0.00 O ATOM 60 CB LEU A 358 15.149 1.298 -10.606 1.00 0.00 C ATOM 61 CG LEU A 358 14.985 2.597 -9.807 1.00 0.00 C ATOM 62 CD1 LEU A 358 15.673 3.761 -10.508 1.00 0.00 C ATOM 63 CD2 LEU A 358 13.511 2.904 -9.590 1.00 0.00 C ATOM 0 H LEU A 358 16.921 2.398 -11.942 1.00 0.00 H new ATOM 0 HA LEU A 358 16.996 0.696 -9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 358 14.780 1.466 -11.618 1.00 0.00 H new ATOM 0 HB3 LEU A 358 14.513 0.534 -10.158 1.00 0.00 H new ATOM 0 HG LEU A 358 15.460 2.459 -8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 358 15.541 4.669 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 358 16.737 3.547 -10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 358 15.234 3.901 -11.496 1.00 0.00 H new ATOM 0 HD21 LEU A 358 13.412 3.829 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 358 13.017 3.016 -10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 358 13.047 2.087 -9.038 1.00 0.00 H new ATOM 75 N GLU A 359 16.814 -1.651 -10.453 1.00 0.00 N ATOM 76 CA GLU A 359 16.826 -3.044 -10.889 1.00 0.00 C ATOM 77 C GLU A 359 17.027 -3.966 -9.697 1.00 0.00 C ATOM 78 O GLU A 359 16.335 -4.972 -9.546 1.00 0.00 O ATOM 79 CB GLU A 359 17.930 -3.266 -11.931 1.00 0.00 C ATOM 80 CG GLU A 359 17.908 -4.642 -12.584 1.00 0.00 C ATOM 81 CD GLU A 359 18.302 -5.760 -11.637 1.00 0.00 C ATOM 82 OE1 GLU A 359 19.433 -5.721 -11.110 1.00 0.00 O ATOM 83 OE2 GLU A 359 17.478 -6.675 -11.424 1.00 0.00 O ATOM 0 H GLU A 359 17.016 -1.520 -9.462 1.00 0.00 H new ATOM 0 HA GLU A 359 15.865 -3.275 -11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 359 17.838 -2.507 -12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 359 18.899 -3.119 -11.454 1.00 0.00 H new ATOM 0 HG2 GLU A 359 16.908 -4.838 -12.970 1.00 0.00 H new ATOM 0 HG3 GLU A 359 18.585 -4.643 -13.438 1.00 0.00 H new ATOM 90 N VAL A 360 17.977 -3.603 -8.856 1.00 0.00 N ATOM 91 CA VAL A 360 18.286 -4.378 -7.662 1.00 0.00 C ATOM 92 C VAL A 360 17.138 -4.309 -6.659 1.00 0.00 C ATOM 93 O VAL A 360 16.571 -3.242 -6.423 1.00 0.00 O ATOM 94 CB VAL A 360 19.586 -3.887 -6.990 1.00 0.00 C ATOM 95 CG1 VAL A 360 19.467 -2.423 -6.592 1.00 0.00 C ATOM 96 CG2 VAL A 360 19.924 -4.750 -5.783 1.00 0.00 C ATOM 0 H VAL A 360 18.554 -2.770 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 360 18.427 -5.412 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 360 20.399 -3.976 -7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 360 20.394 -2.098 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 360 19.280 -1.819 -7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 360 18.641 -2.303 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 360 20.844 -4.388 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 360 19.111 -4.697 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 360 20.060 -5.784 -6.101 1.00 0.00 H new ATOM 106 N LEU A 361 16.799 -5.455 -6.076 1.00 0.00 N ATOM 107 CA LEU A 361 15.717 -5.529 -5.102 1.00 0.00 C ATOM 108 C LEU A 361 15.673 -6.924 -4.469 1.00 0.00 C ATOM 109 O LEU A 361 16.712 -7.457 -4.076 1.00 0.00 O ATOM 110 CB LEU A 361 14.382 -5.186 -5.779 1.00 0.00 C ATOM 111 CG LEU A 361 13.232 -4.831 -4.830 1.00 0.00 C ATOM 112 CD1 LEU A 361 13.574 -3.595 -4.011 1.00 0.00 C ATOM 113 CD2 LEU A 361 11.948 -4.613 -5.616 1.00 0.00 C ATOM 0 H LEU A 361 17.259 -6.346 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 361 15.895 -4.803 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 361 14.543 -4.347 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 361 14.076 -6.035 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 361 13.081 -5.664 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 361 12.745 -3.360 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 361 14.471 -3.786 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 361 13.752 -2.753 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 361 11.139 -4.362 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 361 12.089 -3.797 -6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 361 11.694 -5.524 -6.158 1.00 0.00 H new ATOM 125 N THR A 362 14.481 -7.514 -4.374 1.00 0.00 N ATOM 126 CA THR A 362 14.331 -8.842 -3.792 1.00 0.00 C ATOM 127 C THR A 362 12.877 -9.315 -3.908 1.00 0.00 C ATOM 128 O THR A 362 12.198 -8.993 -4.883 1.00 0.00 O ATOM 129 CB THR A 362 14.781 -8.851 -2.313 1.00 0.00 C ATOM 130 OG1 THR A 362 14.748 -10.183 -1.788 1.00 0.00 O ATOM 131 CG2 THR A 362 13.899 -7.942 -1.468 1.00 0.00 C ATOM 0 H THR A 362 13.609 -7.092 -4.693 1.00 0.00 H new ATOM 0 HA THR A 362 14.969 -9.529 -4.347 1.00 0.00 H new ATOM 0 HB THR A 362 15.804 -8.476 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 362 14.289 -10.182 -0.922 1.00 0.00 H new ATOM 0 HG21 THR A 362 14.237 -7.967 -0.432 1.00 0.00 H new ATOM 0 HG22 THR A 362 13.961 -6.921 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 362 12.866 -8.286 -1.521 1.00 0.00 H new ATOM 139 N GLN A 363 12.398 -10.071 -2.922 1.00 0.00 N ATOM 140 CA GLN A 363 11.027 -10.568 -2.939 1.00 0.00 C ATOM 141 C GLN A 363 10.031 -9.420 -2.806 1.00 0.00 C ATOM 142 O GLN A 363 10.247 -8.486 -2.035 1.00 0.00 O ATOM 143 CB GLN A 363 10.811 -11.583 -1.814 1.00 0.00 C ATOM 144 CG GLN A 363 11.096 -11.030 -0.426 1.00 0.00 C ATOM 145 CD GLN A 363 10.830 -12.043 0.670 1.00 0.00 C ATOM 146 OE1 GLN A 363 9.710 -12.530 0.822 1.00 0.00 O ATOM 147 NE2 GLN A 363 11.861 -12.365 1.442 1.00 0.00 N ATOM 0 H GLN A 363 12.939 -10.351 -2.104 1.00 0.00 H new ATOM 0 HA GLN A 363 10.859 -11.062 -3.896 1.00 0.00 H new ATOM 0 HB2 GLN A 363 9.781 -11.937 -1.849 1.00 0.00 H new ATOM 0 HB3 GLN A 363 11.451 -12.447 -1.989 1.00 0.00 H new ATOM 0 HG2 GLN A 363 12.136 -10.708 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 363 10.480 -10.147 -0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 363 12.772 -11.937 1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 363 11.742 -13.041 2.197 1.00 0.00 H new ATOM 156 N LYS A 364 8.939 -9.496 -3.562 1.00 0.00 N ATOM 157 CA LYS A 364 7.913 -8.458 -3.524 1.00 0.00 C ATOM 158 C LYS A 364 6.559 -8.981 -4.005 1.00 0.00 C ATOM 159 O LYS A 364 6.163 -8.767 -5.150 1.00 0.00 O ATOM 160 CB LYS A 364 8.352 -7.244 -4.356 1.00 0.00 C ATOM 161 CG LYS A 364 9.244 -7.584 -5.548 1.00 0.00 C ATOM 162 CD LYS A 364 8.523 -8.424 -6.589 1.00 0.00 C ATOM 163 CE LYS A 364 9.419 -8.726 -7.780 1.00 0.00 C ATOM 164 NZ LYS A 364 10.651 -9.459 -7.378 1.00 0.00 N ATOM 0 H LYS A 364 8.742 -10.262 -4.206 1.00 0.00 H new ATOM 0 HA LYS A 364 7.792 -8.149 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 364 7.463 -6.727 -4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 364 8.883 -6.548 -3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 364 9.596 -6.662 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 364 10.125 -8.122 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 364 8.190 -9.358 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 364 7.631 -7.898 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 364 8.866 -9.318 -8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 364 9.696 -7.793 -8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 11.175 -9.749 -8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 11.250 -8.839 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 10.389 -10.302 -6.828 1.00 0.00 H new ATOM 178 N HIS A 365 5.843 -9.657 -3.111 1.00 0.00 N ATOM 179 CA HIS A 365 4.529 -10.199 -3.437 1.00 0.00 C ATOM 180 C HIS A 365 3.550 -9.072 -3.755 1.00 0.00 C ATOM 181 O HIS A 365 2.798 -9.146 -4.727 1.00 0.00 O ATOM 182 CB HIS A 365 3.998 -11.044 -2.276 1.00 0.00 C ATOM 183 CG HIS A 365 2.686 -11.706 -2.562 1.00 0.00 C ATOM 184 ND1 HIS A 365 1.535 -11.005 -2.858 1.00 0.00 N ATOM 185 CD2 HIS A 365 2.345 -13.017 -2.599 1.00 0.00 C ATOM 186 CE1 HIS A 365 0.545 -11.855 -3.063 1.00 0.00 C ATOM 187 NE2 HIS A 365 1.010 -13.081 -2.912 1.00 0.00 N ATOM 0 H HIS A 365 6.151 -9.842 -2.156 1.00 0.00 H new ATOM 0 HA HIS A 365 4.628 -10.834 -4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 365 4.734 -11.809 -2.029 1.00 0.00 H new ATOM 0 HB3 HIS A 365 3.890 -10.409 -1.396 1.00 0.00 H new ATOM 0 HD2 HIS A 365 3.001 -13.855 -2.416 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -0.472 -11.592 -3.312 1.00 0.00 H new ATOM 0 HE2 HIS A 365 0.465 -13.938 -3.012 1.00 0.00 H new ATOM 196 N LYS A 366 3.570 -8.031 -2.928 1.00 0.00 N ATOM 197 CA LYS A 366 2.689 -6.884 -3.116 1.00 0.00 C ATOM 198 C LYS A 366 2.978 -6.187 -4.445 1.00 0.00 C ATOM 199 O LYS A 366 4.134 -6.067 -4.850 1.00 0.00 O ATOM 200 CB LYS A 366 2.855 -5.893 -1.961 1.00 0.00 C ATOM 201 CG LYS A 366 2.545 -6.491 -0.597 1.00 0.00 C ATOM 202 CD LYS A 366 2.762 -5.483 0.522 1.00 0.00 C ATOM 203 CE LYS A 366 1.824 -4.293 0.398 1.00 0.00 C ATOM 204 NZ LYS A 366 2.028 -3.307 1.495 1.00 0.00 N ATOM 0 H LYS A 366 4.188 -7.959 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 366 1.661 -7.245 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 366 3.878 -5.517 -1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 366 2.201 -5.037 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 366 1.512 -6.839 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 366 3.178 -7.363 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 366 2.607 -5.970 1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 366 3.795 -5.135 0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 366 1.983 -3.804 -0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 366 0.791 -4.642 0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 1.369 -2.511 1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 1.851 -3.766 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 3.006 -2.954 1.467 1.00 0.00 H new ATOM 218 N PRO A 367 1.924 -5.720 -5.145 1.00 0.00 N ATOM 219 CA PRO A 367 2.066 -5.033 -6.435 1.00 0.00 C ATOM 220 C PRO A 367 2.629 -3.620 -6.286 1.00 0.00 C ATOM 221 O PRO A 367 1.975 -2.640 -6.648 1.00 0.00 O ATOM 222 CB PRO A 367 0.633 -4.985 -6.967 1.00 0.00 C ATOM 223 CG PRO A 367 -0.223 -4.999 -5.755 1.00 0.00 C ATOM 224 CD PRO A 367 0.510 -5.826 -4.733 1.00 0.00 C ATOM 0 HA PRO A 367 2.765 -5.546 -7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 367 0.462 -4.088 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 367 0.421 -5.839 -7.610 1.00 0.00 H new ATOM 0 HG2 PRO A 367 -0.394 -3.987 -5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 367 -1.201 -5.428 -5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 367 0.357 -5.443 -3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 367 0.169 -6.861 -4.736 1.00 0.00 H new ATOM 232 N ALA A 368 3.841 -3.519 -5.746 1.00 0.00 N ATOM 233 CA ALA A 368 4.485 -2.227 -5.544 1.00 0.00 C ATOM 234 C ALA A 368 5.973 -2.391 -5.246 1.00 0.00 C ATOM 235 O ALA A 368 6.480 -1.863 -4.255 1.00 0.00 O ATOM 236 CB ALA A 368 3.799 -1.470 -4.415 1.00 0.00 C ATOM 0 H ALA A 368 4.396 -4.318 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 368 4.390 -1.653 -6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 368 4.288 -0.506 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 368 2.751 -1.311 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 368 3.866 -2.050 -3.495 1.00 0.00 H new ATOM 242 N GLU A 369 6.668 -3.126 -6.108 1.00 0.00 N ATOM 243 CA GLU A 369 8.096 -3.357 -5.936 1.00 0.00 C ATOM 244 C GLU A 369 8.865 -2.039 -5.948 1.00 0.00 C ATOM 245 O GLU A 369 8.640 -1.187 -6.807 1.00 0.00 O ATOM 246 CB GLU A 369 8.624 -4.282 -7.037 1.00 0.00 C ATOM 247 CG GLU A 369 8.385 -3.757 -8.444 1.00 0.00 C ATOM 248 CD GLU A 369 8.913 -4.695 -9.512 1.00 0.00 C ATOM 249 OE1 GLU A 369 8.453 -5.855 -9.565 1.00 0.00 O ATOM 250 OE2 GLU A 369 9.787 -4.270 -10.297 1.00 0.00 O ATOM 0 H GLU A 369 6.265 -3.571 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 369 8.247 -3.836 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 369 9.694 -4.431 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 369 8.149 -5.258 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 369 7.316 -3.605 -8.595 1.00 0.00 H new ATOM 0 HG3 GLU A 369 8.864 -2.784 -8.551 1.00 0.00 H new ATOM 257 N SER A 370 9.772 -1.894 -4.982 1.00 0.00 N ATOM 258 CA SER A 370 10.601 -0.692 -4.842 1.00 0.00 C ATOM 259 C SER A 370 9.797 0.487 -4.306 1.00 0.00 C ATOM 260 O SER A 370 10.115 1.042 -3.254 1.00 0.00 O ATOM 261 CB SER A 370 11.252 -0.322 -6.179 1.00 0.00 C ATOM 262 OG SER A 370 12.055 0.839 -6.054 1.00 0.00 O ATOM 0 H SER A 370 9.954 -2.605 -4.274 1.00 0.00 H new ATOM 0 HA SER A 370 11.384 -0.921 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 370 11.862 -1.153 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 370 10.479 -0.154 -6.929 1.00 0.00 H new ATOM 0 HG SER A 370 12.460 1.052 -6.921 1.00 0.00 H new ATOM 268 N GLN A 371 8.757 0.864 -5.031 1.00 0.00 N ATOM 269 CA GLN A 371 7.903 1.978 -4.631 1.00 0.00 C ATOM 270 C GLN A 371 7.021 1.595 -3.449 1.00 0.00 C ATOM 271 O GLN A 371 6.306 0.595 -3.493 1.00 0.00 O ATOM 272 CB GLN A 371 7.028 2.429 -5.803 1.00 0.00 C ATOM 273 CG GLN A 371 7.819 2.966 -6.983 1.00 0.00 C ATOM 274 CD GLN A 371 6.928 3.371 -8.142 1.00 0.00 C ATOM 275 OE1 GLN A 371 6.202 2.549 -8.699 1.00 0.00 O ATOM 276 NE2 GLN A 371 6.980 4.647 -8.508 1.00 0.00 N ATOM 0 H GLN A 371 8.480 0.415 -5.904 1.00 0.00 H new ATOM 0 HA GLN A 371 8.550 2.802 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 371 6.421 1.588 -6.137 1.00 0.00 H new ATOM 0 HB3 GLN A 371 6.341 3.201 -5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 371 8.406 3.827 -6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 371 8.525 2.206 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 371 7.597 5.294 -8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 371 6.403 4.980 -9.280 1.00 0.00 H new ATOM 285 N GLN A 372 7.066 2.404 -2.396 1.00 0.00 N ATOM 286 CA GLN A 372 6.262 2.149 -1.207 1.00 0.00 C ATOM 287 C GLN A 372 4.787 2.434 -1.469 1.00 0.00 C ATOM 288 O GLN A 372 4.385 2.681 -2.607 1.00 0.00 O ATOM 289 CB GLN A 372 6.773 2.984 -0.026 1.00 0.00 C ATOM 290 CG GLN A 372 7.090 4.436 -0.366 1.00 0.00 C ATOM 291 CD GLN A 372 5.869 5.247 -0.758 1.00 0.00 C ATOM 292 OE1 GLN A 372 5.302 5.063 -1.834 1.00 0.00 O ATOM 293 NE2 GLN A 372 5.456 6.153 0.120 1.00 0.00 N ATOM 0 H GLN A 372 7.649 3.239 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 372 6.358 1.093 -0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.025 2.965 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 372 7.672 2.513 0.373 1.00 0.00 H new ATOM 0 HG2 GLN A 372 7.568 4.906 0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 372 7.810 4.460 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 372 5.955 6.274 1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 372 4.640 6.728 -0.087 1.00 0.00 H new ATOM 302 N GLN A 373 3.986 2.399 -0.409 1.00 0.00 N ATOM 303 CA GLN A 373 2.556 2.655 -0.521 1.00 0.00 C ATOM 304 C GLN A 373 2.315 4.086 -0.995 1.00 0.00 C ATOM 305 O GLN A 373 2.874 5.034 -0.443 1.00 0.00 O ATOM 306 CB GLN A 373 1.878 2.413 0.832 1.00 0.00 C ATOM 307 CG GLN A 373 0.357 2.376 0.778 1.00 0.00 C ATOM 308 CD GLN A 373 -0.259 3.710 0.403 1.00 0.00 C ATOM 309 OE1 GLN A 373 -1.044 3.718 -0.667 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 -0.035 4.721 1.069 1.00 0.00 N flip ATOM 0 H GLN A 373 4.304 2.195 0.538 1.00 0.00 H new ATOM 0 HA GLN A 373 2.125 1.973 -1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 373 2.238 1.469 1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 373 2.185 3.197 1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 373 0.044 1.622 0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.027 2.066 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.575 4.670 1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -0.460 5.610 0.805 1.00 0.00 H new ATOM 319 N ALA A 374 1.484 4.240 -2.023 1.00 0.00 N ATOM 320 CA ALA A 374 1.180 5.556 -2.567 1.00 0.00 C ATOM 321 C ALA A 374 -0.323 5.799 -2.602 1.00 0.00 C ATOM 322 O ALA A 374 -1.084 4.951 -3.068 1.00 0.00 O ATOM 323 CB ALA A 374 1.776 5.698 -3.960 1.00 0.00 C ATOM 0 H ALA A 374 1.011 3.469 -2.494 1.00 0.00 H new ATOM 0 HA ALA A 374 1.626 6.307 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.542 6.686 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.858 5.575 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.355 4.935 -4.615 1.00 0.00 H new ATOM 329 N ALA A 375 -0.744 6.959 -2.106 1.00 0.00 N ATOM 330 CA ALA A 375 -2.157 7.310 -2.081 1.00 0.00 C ATOM 331 C ALA A 375 -2.787 7.141 -3.457 1.00 0.00 C ATOM 332 O ALA A 375 -2.624 7.987 -4.338 1.00 0.00 O ATOM 333 CB ALA A 375 -2.337 8.739 -1.588 1.00 0.00 C ATOM 0 H ALA A 375 -0.126 7.670 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.663 6.633 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.398 8.988 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.930 8.831 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.812 9.423 -2.255 1.00 0.00 H new ATOM 339 N GLU A 376 -3.509 6.039 -3.628 1.00 0.00 N ATOM 340 CA GLU A 376 -4.176 5.735 -4.886 1.00 0.00 C ATOM 341 C GLU A 376 -5.284 6.747 -5.167 1.00 0.00 C ATOM 342 O GLU A 376 -5.195 7.906 -4.762 1.00 0.00 O ATOM 343 CB GLU A 376 -4.742 4.313 -4.833 1.00 0.00 C ATOM 344 CG GLU A 376 -3.699 3.260 -4.499 1.00 0.00 C ATOM 345 CD GLU A 376 -2.632 3.126 -5.570 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.910 4.114 -5.820 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.519 2.031 -6.159 1.00 0.00 O ATOM 0 H GLU A 376 -3.647 5.336 -2.902 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.452 5.800 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.538 4.274 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.194 4.074 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.225 3.513 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.192 2.298 -4.362 1.00 0.00 H new ATOM 354 N THR A 377 -6.323 6.306 -5.862 1.00 0.00 N ATOM 355 CA THR A 377 -7.439 7.174 -6.199 1.00 0.00 C ATOM 356 C THR A 377 -8.747 6.403 -6.181 1.00 0.00 C ATOM 357 O THR A 377 -8.764 5.189 -6.387 1.00 0.00 O ATOM 358 CB THR A 377 -7.249 7.822 -7.583 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.222 6.811 -8.598 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.958 8.623 -7.625 1.00 0.00 C ATOM 0 H THR A 377 -6.415 5.349 -6.204 1.00 0.00 H new ATOM 0 HA THR A 377 -7.473 7.961 -5.446 1.00 0.00 H new ATOM 0 HB THR A 377 -8.086 8.496 -7.766 1.00 0.00 H new ATOM 0 HG1 THR A 377 -7.103 7.231 -9.475 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.841 9.073 -8.611 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.992 9.408 -6.869 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.114 7.963 -7.425 1.00 0.00 H new ATOM 368 N GLU A 378 -9.838 7.113 -5.919 1.00 0.00 N ATOM 369 CA GLU A 378 -11.158 6.501 -5.857 1.00 0.00 C ATOM 370 C GLU A 378 -11.372 5.556 -7.030 1.00 0.00 C ATOM 371 O GLU A 378 -11.957 4.486 -6.882 1.00 0.00 O ATOM 372 CB GLU A 378 -12.240 7.580 -5.851 1.00 0.00 C ATOM 373 CG GLU A 378 -13.644 7.031 -5.653 1.00 0.00 C ATOM 374 CD GLU A 378 -14.697 8.121 -5.616 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.626 8.985 -4.717 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.594 8.110 -6.485 1.00 0.00 O ATOM 0 H GLU A 378 -9.833 8.118 -5.745 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.224 5.925 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.023 8.296 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.202 8.127 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.875 6.335 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.681 6.464 -4.723 1.00 0.00 H new ATOM 383 N GLY A 379 -10.896 5.965 -8.196 1.00 0.00 N ATOM 384 CA GLY A 379 -11.046 5.150 -9.385 1.00 0.00 C ATOM 385 C GLY A 379 -10.280 3.846 -9.323 1.00 0.00 C ATOM 386 O GLY A 379 -10.781 2.810 -9.759 1.00 0.00 O ATOM 0 H GLY A 379 -10.407 6.849 -8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -12.104 4.934 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.709 5.719 -10.251 1.00 0.00 H new ATOM 390 N SER A 380 -9.063 3.889 -8.796 1.00 0.00 N ATOM 391 CA SER A 380 -8.238 2.690 -8.700 1.00 0.00 C ATOM 392 C SER A 380 -8.760 1.736 -7.629 1.00 0.00 C ATOM 393 O SER A 380 -8.900 0.537 -7.865 1.00 0.00 O ATOM 394 CB SER A 380 -6.794 3.067 -8.400 1.00 0.00 C ATOM 395 OG SER A 380 -5.968 1.918 -8.325 1.00 0.00 O ATOM 0 H SER A 380 -8.627 4.735 -8.430 1.00 0.00 H new ATOM 0 HA SER A 380 -8.285 2.177 -9.661 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.421 3.736 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.747 3.614 -7.458 1.00 0.00 H new ATOM 0 HG SER A 380 -5.046 2.190 -8.133 1.00 0.00 H new ATOM 401 N CYS A 381 -9.028 2.283 -6.449 1.00 0.00 N ATOM 402 CA CYS A 381 -9.513 1.501 -5.315 1.00 0.00 C ATOM 403 C CYS A 381 -10.751 0.671 -5.655 1.00 0.00 C ATOM 404 O CYS A 381 -10.807 -0.518 -5.342 1.00 0.00 O ATOM 405 CB CYS A 381 -9.825 2.431 -4.146 1.00 0.00 C ATOM 406 SG CYS A 381 -8.368 3.275 -3.463 1.00 0.00 S ATOM 0 H CYS A 381 -8.916 3.277 -6.250 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.721 0.802 -5.045 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.546 3.180 -4.474 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.303 1.854 -3.354 1.00 0.00 H new ATOM 411 N ASN A 382 -11.743 1.300 -6.277 1.00 0.00 N ATOM 412 CA ASN A 382 -12.979 0.602 -6.634 1.00 0.00 C ATOM 413 C ASN A 382 -12.676 -0.642 -7.455 1.00 0.00 C ATOM 414 O ASN A 382 -13.354 -1.663 -7.340 1.00 0.00 O ATOM 415 CB ASN A 382 -13.912 1.520 -7.430 1.00 0.00 C ATOM 416 CG ASN A 382 -14.220 2.824 -6.718 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.663 3.005 -5.528 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.955 3.664 -7.237 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.719 2.284 -6.544 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.473 0.309 -5.708 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.457 1.740 -8.396 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.845 0.994 -7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.364 3.487 -8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.155 4.537 -6.750 1.00 0.00 H new ATOM 425 N LYS A 383 -11.654 -0.536 -8.292 1.00 0.00 N ATOM 426 CA LYS A 383 -11.247 -1.630 -9.155 1.00 0.00 C ATOM 427 C LYS A 383 -10.516 -2.718 -8.374 1.00 0.00 C ATOM 428 O LYS A 383 -10.584 -3.895 -8.727 1.00 0.00 O ATOM 429 CB LYS A 383 -10.353 -1.085 -10.265 1.00 0.00 C ATOM 430 CG LYS A 383 -10.981 0.081 -11.012 1.00 0.00 C ATOM 431 CD LYS A 383 -9.992 0.743 -11.956 1.00 0.00 C ATOM 432 CE LYS A 383 -9.511 -0.218 -13.033 1.00 0.00 C ATOM 433 NZ LYS A 383 -8.552 0.431 -13.969 1.00 0.00 N ATOM 0 H LYS A 383 -11.088 0.307 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.140 -2.083 -9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.403 -0.766 -9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.131 -1.885 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.843 -0.272 -11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -11.348 0.816 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -10.460 1.609 -12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -9.137 1.110 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -9.034 -1.079 -12.564 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.367 -0.593 -13.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -8.248 -0.257 -14.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.014 1.237 -14.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -7.723 0.767 -13.439 1.00 0.00 H new ATOM 447 N LYS A 384 -9.803 -2.318 -7.323 1.00 0.00 N ATOM 448 CA LYS A 384 -9.051 -3.258 -6.514 1.00 0.00 C ATOM 449 C LYS A 384 -9.951 -4.283 -5.859 1.00 0.00 C ATOM 450 O LYS A 384 -11.109 -4.017 -5.538 1.00 0.00 O ATOM 451 CB LYS A 384 -8.259 -2.518 -5.449 1.00 0.00 C ATOM 452 CG LYS A 384 -7.500 -1.336 -6.007 1.00 0.00 C ATOM 453 CD LYS A 384 -6.445 -1.720 -7.021 1.00 0.00 C ATOM 454 CE LYS A 384 -5.739 -2.972 -6.599 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.658 -3.365 -7.544 1.00 0.00 N ATOM 0 H LYS A 384 -9.734 -1.348 -7.017 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.368 -3.786 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.939 -2.174 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.557 -3.207 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.206 -0.648 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.025 -0.799 -5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -6.908 -1.868 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.725 -0.909 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.314 -2.828 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.462 -3.784 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.726 -4.383 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.759 -2.829 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.732 -3.158 -7.118 1.00 0.00 H new ATOM 469 N ASP A 385 -9.384 -5.453 -5.658 1.00 0.00 N ATOM 470 CA ASP A 385 -10.094 -6.561 -5.026 1.00 0.00 C ATOM 471 C ASP A 385 -10.033 -6.427 -3.510 1.00 0.00 C ATOM 472 O ASP A 385 -9.330 -5.565 -2.992 1.00 0.00 O ATOM 473 CB ASP A 385 -9.505 -7.904 -5.456 1.00 0.00 C ATOM 474 CG ASP A 385 -9.548 -8.097 -6.961 1.00 0.00 C ATOM 475 OD1 ASP A 385 -8.988 -7.247 -7.686 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.142 -9.098 -7.414 1.00 0.00 O ATOM 0 H ASP A 385 -8.423 -5.670 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.135 -6.525 -5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -8.473 -7.972 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.056 -8.711 -4.973 1.00 0.00 H new ATOM 481 N GLN A 386 -10.769 -7.280 -2.807 1.00 0.00 N ATOM 482 CA GLN A 386 -10.796 -7.244 -1.346 1.00 0.00 C ATOM 483 C GLN A 386 -9.385 -7.185 -0.773 1.00 0.00 C ATOM 484 O GLN A 386 -9.054 -6.282 -0.004 1.00 0.00 O ATOM 485 CB GLN A 386 -11.530 -8.469 -0.797 1.00 0.00 C ATOM 486 CG GLN A 386 -11.597 -8.509 0.722 1.00 0.00 C ATOM 487 CD GLN A 386 -12.367 -9.708 1.240 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.011 -10.855 0.968 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.428 -9.448 1.995 1.00 0.00 N ATOM 0 H GLN A 386 -11.355 -8.005 -3.222 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.328 -6.343 -1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.544 -8.484 -1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.032 -9.371 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.585 -8.529 1.126 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.067 -7.595 1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.687 -8.482 2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.984 -10.214 2.375 1.00 0.00 H new ATOM 498 N ASN A 387 -8.556 -8.145 -1.159 1.00 0.00 N ATOM 499 CA ASN A 387 -7.184 -8.200 -0.696 1.00 0.00 C ATOM 500 C ASN A 387 -6.377 -7.040 -1.268 1.00 0.00 C ATOM 501 O ASN A 387 -5.455 -6.532 -0.628 1.00 0.00 O ATOM 502 CB ASN A 387 -6.557 -9.527 -1.108 1.00 0.00 C ATOM 503 CG ASN A 387 -6.552 -9.726 -2.611 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.601 -9.724 -3.254 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.365 -9.902 -3.178 1.00 0.00 N ATOM 0 H ASN A 387 -8.816 -8.899 -1.795 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.177 -8.119 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.534 -9.573 -0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.104 -10.345 -0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.297 -10.043 -4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.521 -9.896 -2.606 1.00 0.00 H new ATOM 512 N GLU A 388 -6.732 -6.635 -2.483 1.00 0.00 N ATOM 513 CA GLU A 388 -6.049 -5.542 -3.162 1.00 0.00 C ATOM 514 C GLU A 388 -6.494 -4.190 -2.628 1.00 0.00 C ATOM 515 O GLU A 388 -5.862 -3.171 -2.907 1.00 0.00 O ATOM 516 CB GLU A 388 -6.290 -5.628 -4.668 1.00 0.00 C ATOM 517 CG GLU A 388 -5.701 -6.877 -5.301 1.00 0.00 C ATOM 518 CD GLU A 388 -5.941 -6.948 -6.796 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.539 -6.004 -7.509 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.524 -7.952 -7.256 1.00 0.00 O ATOM 0 H GLU A 388 -7.493 -7.051 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.981 -5.638 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.363 -5.604 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.861 -4.749 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.629 -6.905 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.133 -7.758 -4.826 1.00 0.00 H new ATOM 527 N CYS A 389 -7.574 -4.181 -1.852 1.00 0.00 N ATOM 528 CA CYS A 389 -8.074 -2.941 -1.281 1.00 0.00 C ATOM 529 C CYS A 389 -6.963 -2.307 -0.454 1.00 0.00 C ATOM 530 O CYS A 389 -6.662 -2.752 0.654 1.00 0.00 O ATOM 531 CB CYS A 389 -9.319 -3.203 -0.430 1.00 0.00 C ATOM 532 SG CYS A 389 -10.249 -1.699 0.004 1.00 0.00 S ATOM 0 H CYS A 389 -8.113 -5.012 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.367 -2.256 -2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.979 -3.883 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.020 -3.710 0.487 1.00 0.00 H new ATOM 537 N LYS A 390 -6.326 -1.297 -1.032 1.00 0.00 N ATOM 538 CA LYS A 390 -5.201 -0.626 -0.390 1.00 0.00 C ATOM 539 C LYS A 390 -5.619 0.214 0.815 1.00 0.00 C ATOM 540 O LYS A 390 -6.789 0.559 0.980 1.00 0.00 O ATOM 541 CB LYS A 390 -4.448 0.210 -1.414 1.00 0.00 C ATOM 542 CG LYS A 390 -3.836 -0.636 -2.525 1.00 0.00 C ATOM 543 CD LYS A 390 -2.929 0.183 -3.429 1.00 0.00 C ATOM 544 CE LYS A 390 -1.750 0.765 -2.663 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.853 1.565 -3.541 1.00 0.00 N ATOM 0 H LYS A 390 -6.570 -0.922 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.538 -1.397 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.128 0.941 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.659 0.769 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.266 -1.455 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.632 -1.084 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.562 -0.444 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.502 0.991 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.119 1.394 -1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.181 -0.044 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.137 1.407 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.985 1.273 -4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.083 2.575 -3.444 1.00 0.00 H new ATOM 559 N SER A 391 -4.637 0.508 1.667 1.00 0.00 N ATOM 560 CA SER A 391 -4.853 1.270 2.888 1.00 0.00 C ATOM 561 C SER A 391 -5.624 2.569 2.642 1.00 0.00 C ATOM 562 O SER A 391 -6.674 2.778 3.251 1.00 0.00 O ATOM 563 CB SER A 391 -3.512 1.562 3.557 1.00 0.00 C ATOM 564 OG SER A 391 -2.837 0.363 3.895 1.00 0.00 O ATOM 0 H SER A 391 -3.668 0.222 1.526 1.00 0.00 H new ATOM 0 HA SER A 391 -5.469 0.661 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.890 2.156 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.673 2.158 4.455 1.00 0.00 H new ATOM 0 HG SER A 391 -1.981 0.578 4.320 1.00 0.00 H new ATOM 570 N PRO A 392 -5.138 3.467 1.756 1.00 0.00 N ATOM 571 CA PRO A 392 -5.832 4.716 1.481 1.00 0.00 C ATOM 572 C PRO A 392 -7.288 4.462 1.123 1.00 0.00 C ATOM 573 O PRO A 392 -8.173 5.253 1.454 1.00 0.00 O ATOM 574 CB PRO A 392 -5.082 5.320 0.287 1.00 0.00 C ATOM 575 CG PRO A 392 -4.093 4.305 -0.163 1.00 0.00 C ATOM 576 CD PRO A 392 -3.903 3.344 0.967 1.00 0.00 C ATOM 0 HA PRO A 392 -5.841 5.379 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.774 5.568 -0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.582 6.245 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.451 3.787 -1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.148 4.779 -0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.762 2.326 0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.024 3.596 1.561 1.00 0.00 H new ATOM 584 N CYS A 393 -7.524 3.342 0.450 1.00 0.00 N ATOM 585 CA CYS A 393 -8.865 2.951 0.041 1.00 0.00 C ATOM 586 C CYS A 393 -9.721 2.608 1.253 1.00 0.00 C ATOM 587 O CYS A 393 -9.209 2.172 2.285 1.00 0.00 O ATOM 588 CB CYS A 393 -8.799 1.744 -0.891 1.00 0.00 C ATOM 589 SG CYS A 393 -7.564 1.891 -2.222 1.00 0.00 S ATOM 0 H CYS A 393 -6.795 2.684 0.174 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.318 3.792 -0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.575 0.856 -0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.781 1.591 -1.338 1.00 0.00 H new ATOM 594 N LYS A 394 -11.026 2.798 1.118 1.00 0.00 N ATOM 595 CA LYS A 394 -11.958 2.499 2.199 1.00 0.00 C ATOM 596 C LYS A 394 -12.757 1.243 1.882 1.00 0.00 C ATOM 597 O LYS A 394 -13.500 1.195 0.896 1.00 0.00 O ATOM 598 CB LYS A 394 -12.905 3.677 2.442 1.00 0.00 C ATOM 599 CG LYS A 394 -13.789 3.500 3.665 1.00 0.00 C ATOM 600 CD LYS A 394 -12.975 3.534 4.946 1.00 0.00 C ATOM 601 CE LYS A 394 -12.433 4.923 5.217 1.00 0.00 C ATOM 602 NZ LYS A 394 -13.526 5.905 5.466 1.00 0.00 N ATOM 0 H LYS A 394 -11.465 3.158 0.270 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.379 2.328 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.317 4.588 2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.536 3.813 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.541 4.288 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.323 2.552 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.596 3.214 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.149 2.827 4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.769 4.892 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -11.835 5.252 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -13.125 6.862 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -14.211 5.868 4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.006 5.671 6.358 1.00 0.00 H new ATOM 616 N TRP A 395 -12.593 0.228 2.724 1.00 0.00 N ATOM 617 CA TRP A 395 -13.287 -1.040 2.548 1.00 0.00 C ATOM 618 C TRP A 395 -14.700 -0.985 3.121 1.00 0.00 C ATOM 619 O TRP A 395 -14.961 -0.272 4.091 1.00 0.00 O ATOM 620 CB TRP A 395 -12.500 -2.172 3.216 1.00 0.00 C ATOM 621 CG TRP A 395 -13.100 -3.529 2.995 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.553 -4.391 3.952 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.302 -4.183 1.737 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.034 -5.537 3.365 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.889 -5.434 2.007 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.046 -3.834 0.407 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.225 -6.333 0.997 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.379 -4.727 -0.593 1.00 0.00 C ATOM 629 CH2 TRP A 395 -13.963 -5.964 -0.293 1.00 0.00 C ATOM 0 H TRP A 395 -11.981 0.261 3.540 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.361 -1.233 1.478 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.479 -2.168 2.834 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.441 -1.980 4.287 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.536 -4.200 5.015 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.434 -6.334 3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.596 -2.882 0.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.676 -7.287 1.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.186 -4.467 -1.623 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.212 -6.640 -1.097 1.00 0.00 H new ATOM 640 N HIS A 396 -15.604 -1.755 2.522 1.00 0.00 N ATOM 641 CA HIS A 396 -16.989 -1.814 2.976 1.00 0.00 C ATOM 642 C HIS A 396 -17.520 -3.238 2.872 1.00 0.00 C ATOM 643 O HIS A 396 -17.593 -3.810 1.782 1.00 0.00 O ATOM 644 CB HIS A 396 -17.866 -0.865 2.157 1.00 0.00 C ATOM 645 CG HIS A 396 -17.520 0.581 2.338 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.591 1.223 3.556 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.095 1.510 1.449 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.227 2.485 3.408 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.921 2.684 2.139 1.00 0.00 N ATOM 0 H HIS A 396 -15.401 -2.349 1.718 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.021 -1.501 4.020 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.776 -1.122 1.101 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.909 -1.018 2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.925 1.356 0.394 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.187 3.227 4.192 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.606 3.567 1.737 1.00 0.00 H new ATOM 658 N ASN A 397 -17.875 -3.806 4.020 1.00 0.00 N ATOM 659 CA ASN A 397 -18.386 -5.171 4.086 1.00 0.00 C ATOM 660 C ASN A 397 -19.905 -5.209 3.938 1.00 0.00 C ATOM 661 O ASN A 397 -20.607 -4.304 4.390 1.00 0.00 O ATOM 662 CB ASN A 397 -17.971 -5.821 5.408 1.00 0.00 C ATOM 663 CG ASN A 397 -18.377 -7.280 5.498 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.561 -7.612 5.462 1.00 0.00 O ATOM 665 ND2 ASN A 397 -17.390 -8.161 5.616 1.00 0.00 N ATOM 0 H ASN A 397 -17.817 -3.338 4.924 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.956 -5.730 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -16.890 -5.742 5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.421 -5.272 6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.600 -9.157 5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -16.422 -7.842 5.642 1.00 0.00 H new ATOM 672 N ASP A 398 -20.399 -6.272 3.308 1.00 0.00 N ATOM 673 CA ASP A 398 -21.833 -6.460 3.099 1.00 0.00 C ATOM 674 C ASP A 398 -22.423 -5.338 2.246 1.00 0.00 C ATOM 675 O ASP A 398 -23.552 -4.899 2.468 1.00 0.00 O ATOM 676 CB ASP A 398 -22.558 -6.543 4.447 1.00 0.00 C ATOM 677 CG ASP A 398 -24.030 -6.879 4.301 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.342 -7.952 3.743 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.870 -6.069 4.746 1.00 0.00 O ATOM 0 H ASP A 398 -19.821 -7.023 2.930 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.975 -7.397 2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.077 -7.299 5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.457 -5.591 4.968 1.00 0.00 H new ATOM 684 N ALA A 399 -21.658 -4.887 1.258 1.00 0.00 N ATOM 685 CA ALA A 399 -22.116 -3.832 0.363 1.00 0.00 C ATOM 686 C ALA A 399 -22.948 -4.421 -0.773 1.00 0.00 C ATOM 687 O ALA A 399 -23.520 -5.502 -0.635 1.00 0.00 O ATOM 688 CB ALA A 399 -20.926 -3.056 -0.189 1.00 0.00 C ATOM 0 H ALA A 399 -20.720 -5.235 1.057 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.746 -3.144 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.282 -2.271 -0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.370 -2.608 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.274 -3.733 -0.741 1.00 0.00 H new ATOM 694 N GLU A 400 -22.999 -3.719 -1.900 1.00 0.00 N ATOM 695 CA GLU A 400 -23.745 -4.193 -3.060 1.00 0.00 C ATOM 696 C GLU A 400 -23.027 -5.387 -3.680 1.00 0.00 C ATOM 697 O GLU A 400 -23.653 -6.297 -4.225 1.00 0.00 O ATOM 698 CB GLU A 400 -23.894 -3.072 -4.092 1.00 0.00 C ATOM 699 CG GLU A 400 -24.686 -3.478 -5.325 1.00 0.00 C ATOM 700 CD GLU A 400 -24.806 -2.357 -6.340 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.273 -1.257 -6.077 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.432 -2.578 -7.398 1.00 0.00 O ATOM 0 H GLU A 400 -22.534 -2.821 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.740 -4.501 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.383 -2.219 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -22.903 -2.740 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.206 -4.337 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.683 -3.797 -5.022 1.00 0.00 H new ATOM 709 N ASN A 401 -21.702 -5.362 -3.580 1.00 0.00 N ATOM 710 CA ASN A 401 -20.851 -6.419 -4.112 1.00 0.00 C ATOM 711 C ASN A 401 -19.401 -6.137 -3.735 1.00 0.00 C ATOM 712 O ASN A 401 -18.510 -6.141 -4.586 1.00 0.00 O ATOM 713 CB ASN A 401 -20.997 -6.522 -5.636 1.00 0.00 C ATOM 714 CG ASN A 401 -20.658 -5.230 -6.365 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.322 -4.180 -5.620 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.700 -5.175 -7.594 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.188 -4.607 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.159 -7.372 -3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.349 -7.318 -6.003 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.021 -6.808 -5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.962 -6.001 -8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.473 -4.304 -8.074 1.00 0.00 H new ATOM 723 N LYS A 402 -19.192 -5.860 -2.447 1.00 0.00 N ATOM 724 CA LYS A 402 -17.870 -5.534 -1.918 1.00 0.00 C ATOM 725 C LYS A 402 -17.448 -4.153 -2.402 1.00 0.00 C ATOM 726 O LYS A 402 -17.311 -3.923 -3.604 1.00 0.00 O ATOM 727 CB LYS A 402 -16.833 -6.581 -2.338 1.00 0.00 C ATOM 728 CG LYS A 402 -17.171 -7.995 -1.889 1.00 0.00 C ATOM 729 CD LYS A 402 -17.232 -8.104 -0.374 1.00 0.00 C ATOM 730 CE LYS A 402 -17.551 -9.522 0.070 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.517 -10.492 -0.385 1.00 0.00 N ATOM 0 H LYS A 402 -19.932 -5.856 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 402 -17.926 -5.534 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.736 -6.568 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -15.862 -6.302 -1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.130 -8.293 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.423 -8.688 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.278 -7.794 0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -17.990 -7.422 0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.625 -9.554 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.523 -9.816 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -16.624 -11.385 0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -16.633 -10.671 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -15.571 -10.099 -0.208 1.00 0.00 H new ATOM 745 N LYS A 403 -17.258 -3.229 -1.465 1.00 0.00 N ATOM 746 CA LYS A 403 -16.870 -1.868 -1.814 1.00 0.00 C ATOM 747 C LYS A 403 -15.493 -1.505 -1.267 1.00 0.00 C ATOM 748 O LYS A 403 -15.143 -1.855 -0.144 1.00 0.00 O ATOM 749 CB LYS A 403 -17.910 -0.867 -1.308 1.00 0.00 C ATOM 750 CG LYS A 403 -19.201 -0.867 -2.111 1.00 0.00 C ATOM 751 CD LYS A 403 -18.965 -0.422 -3.547 1.00 0.00 C ATOM 752 CE LYS A 403 -20.259 -0.394 -4.343 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.256 0.540 -3.750 1.00 0.00 N ATOM 0 H LYS A 403 -17.366 -3.397 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.819 -1.820 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.141 -1.092 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.479 0.134 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.634 -1.867 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.925 -0.204 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.513 0.570 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.257 -1.098 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.047 -0.095 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.682 -1.398 -4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.020 0.713 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.654 0.120 -2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.791 1.440 -3.515 1.00 0.00 H new ATOM 767 N CYS A 404 -14.730 -0.784 -2.080 1.00 0.00 N ATOM 768 CA CYS A 404 -13.391 -0.336 -1.710 1.00 0.00 C ATOM 769 C CYS A 404 -13.135 1.039 -2.311 1.00 0.00 C ATOM 770 O CYS A 404 -12.290 1.197 -3.189 1.00 0.00 O ATOM 771 CB CYS A 404 -12.329 -1.327 -2.198 1.00 0.00 C ATOM 772 SG CYS A 404 -10.619 -0.834 -1.800 1.00 0.00 S ATOM 0 H CYS A 404 -15.021 -0.493 -3.013 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.328 -0.279 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.527 -2.304 -1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.422 -1.441 -3.278 1.00 0.00 H new ATOM 777 N THR A 405 -13.893 2.030 -1.849 1.00 0.00 N ATOM 778 CA THR A 405 -13.765 3.389 -2.363 1.00 0.00 C ATOM 779 C THR A 405 -12.691 4.176 -1.625 1.00 0.00 C ATOM 780 O THR A 405 -12.667 4.215 -0.399 1.00 0.00 O ATOM 781 CB THR A 405 -15.096 4.154 -2.283 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.556 4.202 -0.927 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.150 3.497 -3.164 1.00 0.00 C ATOM 0 H THR A 405 -14.600 1.917 -1.122 1.00 0.00 H new ATOM 0 HA THR A 405 -13.473 3.292 -3.409 1.00 0.00 H new ATOM 0 HB THR A 405 -14.929 5.170 -2.641 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.789 4.300 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.084 4.055 -3.092 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.808 3.494 -4.199 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.314 2.472 -2.832 1.00 0.00 H new ATOM 791 N LEU A 406 -11.811 4.807 -2.392 1.00 0.00 N ATOM 792 CA LEU A 406 -10.726 5.602 -1.836 1.00 0.00 C ATOM 793 C LEU A 406 -11.265 6.680 -0.908 1.00 0.00 C ATOM 794 O LEU A 406 -12.315 7.271 -1.161 1.00 0.00 O ATOM 795 CB LEU A 406 -9.910 6.228 -2.970 1.00 0.00 C ATOM 796 CG LEU A 406 -8.586 6.885 -2.573 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.816 8.231 -1.909 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.784 5.969 -1.666 1.00 0.00 C ATOM 0 H LEU A 406 -11.830 4.782 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.079 4.949 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.699 5.453 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.529 6.978 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.012 7.057 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.857 8.672 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.338 8.893 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.419 8.095 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.847 6.455 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.357 5.758 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.572 5.036 -2.187 1.00 0.00 H new ATOM 810 N ASP A 407 -10.529 6.933 0.164 1.00 0.00 N ATOM 811 CA ASP A 407 -10.915 7.946 1.138 1.00 0.00 C ATOM 812 C ASP A 407 -9.807 8.983 1.280 1.00 0.00 C ATOM 813 O ASP A 407 -8.644 8.635 1.477 1.00 0.00 O ATOM 814 CB ASP A 407 -11.203 7.300 2.497 1.00 0.00 C ATOM 815 CG ASP A 407 -11.713 8.299 3.521 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.903 9.480 3.159 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.928 7.899 4.683 1.00 0.00 O ATOM 0 H ASP A 407 -9.658 6.449 0.383 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.822 8.438 0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.940 6.507 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.293 6.832 2.873 1.00 0.00 H new ATOM 822 N LYS A 408 -10.173 10.256 1.179 1.00 0.00 N ATOM 823 CA LYS A 408 -9.199 11.333 1.298 1.00 0.00 C ATOM 824 C LYS A 408 -8.635 11.390 2.713 1.00 0.00 C ATOM 825 O LYS A 408 -7.422 11.477 2.903 1.00 0.00 O ATOM 826 CB LYS A 408 -9.831 12.674 0.934 1.00 0.00 C ATOM 827 CG LYS A 408 -10.384 12.721 -0.483 1.00 0.00 C ATOM 828 CD LYS A 408 -10.987 14.080 -0.807 1.00 0.00 C ATOM 829 CE LYS A 408 -12.183 14.389 0.079 1.00 0.00 C ATOM 830 NZ LYS A 408 -13.275 13.391 -0.096 1.00 0.00 N ATOM 0 H LYS A 408 -11.131 10.566 1.016 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.384 11.131 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.636 12.890 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.086 13.461 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.587 12.498 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.143 11.948 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.230 14.854 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.293 14.102 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.868 14.404 1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.560 15.385 -0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -14.150 13.755 0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -13.431 13.221 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.008 12.499 0.367 1.00 0.00 H new ATOM 844 N GLU A 409 -9.522 11.336 3.702 1.00 0.00 N ATOM 845 CA GLU A 409 -9.113 11.376 5.100 1.00 0.00 C ATOM 846 C GLU A 409 -8.164 10.224 5.416 1.00 0.00 C ATOM 847 O GLU A 409 -7.155 10.405 6.097 1.00 0.00 O ATOM 848 CB GLU A 409 -10.340 11.309 6.012 1.00 0.00 C ATOM 849 CG GLU A 409 -11.321 12.450 5.796 1.00 0.00 C ATOM 850 CD GLU A 409 -12.526 12.370 6.715 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.602 11.413 7.515 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.394 13.264 6.633 1.00 0.00 O ATOM 0 H GLU A 409 -10.529 11.264 3.560 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.590 12.315 5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.854 10.362 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.011 11.315 7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.809 13.399 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.659 12.442 4.760 1.00 0.00 H new ATOM 859 N GLU A 410 -8.497 9.041 4.909 1.00 0.00 N ATOM 860 CA GLU A 410 -7.675 7.856 5.127 1.00 0.00 C ATOM 861 C GLU A 410 -6.331 8.005 4.426 1.00 0.00 C ATOM 862 O GLU A 410 -5.283 7.718 5.004 1.00 0.00 O ATOM 863 CB GLU A 410 -8.400 6.607 4.616 1.00 0.00 C ATOM 864 CG GLU A 410 -7.627 5.314 4.829 1.00 0.00 C ATOM 865 CD GLU A 410 -7.406 4.993 6.296 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.722 5.782 6.982 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.919 3.953 6.759 1.00 0.00 O ATOM 0 H GLU A 410 -9.331 8.878 4.344 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.500 7.748 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.365 6.529 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.602 6.726 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.168 4.492 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.661 5.387 4.329 1.00 0.00 H new ATOM 874 N ALA A 411 -6.374 8.462 3.179 1.00 0.00 N ATOM 875 CA ALA A 411 -5.165 8.663 2.390 1.00 0.00 C ATOM 876 C ALA A 411 -4.184 9.569 3.120 1.00 0.00 C ATOM 877 O ALA A 411 -2.977 9.322 3.122 1.00 0.00 O ATOM 878 CB ALA A 411 -5.519 9.255 1.034 1.00 0.00 C ATOM 0 H ALA A 411 -7.238 8.701 2.692 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.687 7.695 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.609 9.401 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.184 8.575 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.018 10.214 1.175 1.00 0.00 H new ATOM 884 N LYS A 412 -4.711 10.618 3.739 1.00 0.00 N ATOM 885 CA LYS A 412 -3.888 11.565 4.478 1.00 0.00 C ATOM 886 C LYS A 412 -3.168 10.874 5.630 1.00 0.00 C ATOM 887 O LYS A 412 -1.961 11.031 5.803 1.00 0.00 O ATOM 888 CB LYS A 412 -4.755 12.704 5.013 1.00 0.00 C ATOM 889 CG LYS A 412 -5.441 13.511 3.922 1.00 0.00 C ATOM 890 CD LYS A 412 -6.424 14.515 4.501 1.00 0.00 C ATOM 891 CE LYS A 412 -5.723 15.550 5.369 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.699 16.313 4.604 1.00 0.00 N ATOM 0 H LYS A 412 -5.708 10.834 3.743 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.139 11.972 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.513 12.291 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.135 13.371 5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -4.691 14.036 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.966 12.836 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.952 15.017 3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.174 13.991 5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.460 16.241 5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.249 15.053 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.415 17.153 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.868 15.710 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.098 16.610 3.691 1.00 0.00 H new ATOM 906 N LYS A 413 -3.920 10.110 6.417 1.00 0.00 N ATOM 907 CA LYS A 413 -3.365 9.397 7.552 1.00 0.00 C ATOM 908 C LYS A 413 -2.282 8.413 7.115 1.00 0.00 C ATOM 909 O LYS A 413 -1.211 8.347 7.717 1.00 0.00 O ATOM 910 CB LYS A 413 -4.479 8.652 8.281 1.00 0.00 C ATOM 911 CG LYS A 413 -4.065 8.150 9.644 1.00 0.00 C ATOM 912 CD LYS A 413 -5.195 7.408 10.339 1.00 0.00 C ATOM 913 CE LYS A 413 -4.758 6.875 11.694 1.00 0.00 C ATOM 914 NZ LYS A 413 -4.325 7.970 12.607 1.00 0.00 N ATOM 0 H LYS A 413 -4.922 9.971 6.284 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.907 10.125 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -5.339 9.313 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.802 7.807 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -3.205 7.489 9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -3.749 8.991 10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -6.047 8.076 10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -5.529 6.582 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.581 6.325 12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -3.939 6.169 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -4.246 7.603 13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -3.401 8.334 12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -5.025 8.739 12.584 1.00 0.00 H new ATOM 928 N VAL A 414 -2.573 7.647 6.067 1.00 0.00 N ATOM 929 CA VAL A 414 -1.627 6.663 5.554 1.00 0.00 C ATOM 930 C VAL A 414 -0.349 7.329 5.052 1.00 0.00 C ATOM 931 O VAL A 414 0.754 6.864 5.329 1.00 0.00 O ATOM 932 CB VAL A 414 -2.247 5.834 4.414 1.00 0.00 C ATOM 933 CG1 VAL A 414 -1.262 4.791 3.909 1.00 0.00 C ATOM 934 CG2 VAL A 414 -3.540 5.178 4.875 1.00 0.00 C ATOM 0 H VAL A 414 -3.456 7.689 5.558 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.380 6.001 6.384 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.480 6.506 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.721 4.217 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -0.366 5.287 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.992 4.120 4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.965 4.596 4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -3.333 4.520 5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -4.250 5.947 5.180 1.00 0.00 H new ATOM 944 N ALA A 415 -0.510 8.417 4.309 1.00 0.00 N ATOM 945 CA ALA A 415 0.627 9.150 3.762 1.00 0.00 C ATOM 946 C ALA A 415 1.448 9.813 4.864 1.00 0.00 C ATOM 947 O ALA A 415 2.671 9.911 4.767 1.00 0.00 O ATOM 948 CB ALA A 415 0.149 10.192 2.764 1.00 0.00 C ATOM 0 H ALA A 415 -1.419 8.813 4.070 1.00 0.00 H new ATOM 0 HA ALA A 415 1.271 8.434 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.007 10.732 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.382 9.699 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.521 10.893 3.262 1.00 0.00 H new ATOM 954 N ASP A 416 0.764 10.276 5.906 1.00 0.00 N ATOM 955 CA ASP A 416 1.424 10.944 7.026 1.00 0.00 C ATOM 956 C ASP A 416 2.065 9.939 7.978 1.00 0.00 C ATOM 957 O ASP A 416 2.054 10.127 9.195 1.00 0.00 O ATOM 958 CB ASP A 416 0.425 11.813 7.788 1.00 0.00 C ATOM 959 CG ASP A 416 -0.142 12.933 6.937 1.00 0.00 C ATOM 960 OD1 ASP A 416 0.240 13.032 5.751 1.00 0.00 O ATOM 961 OD2 ASP A 416 -0.966 13.713 7.456 1.00 0.00 O ATOM 0 H ASP A 416 -0.249 10.201 5.999 1.00 0.00 H new ATOM 0 HA ASP A 416 2.213 11.574 6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.391 11.189 8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.914 12.239 8.664 1.00 0.00 H new ATOM 966 N GLU A 417 2.627 8.876 7.417 1.00 0.00 N ATOM 967 CA GLU A 417 3.276 7.845 8.219 1.00 0.00 C ATOM 968 C GLU A 417 4.111 6.905 7.351 1.00 0.00 C ATOM 969 O GLU A 417 5.169 6.440 7.772 1.00 0.00 O ATOM 970 CB GLU A 417 2.235 7.050 9.006 1.00 0.00 C ATOM 971 CG GLU A 417 1.277 6.256 8.135 1.00 0.00 C ATOM 972 CD GLU A 417 0.271 5.464 8.947 1.00 0.00 C ATOM 973 OE1 GLU A 417 0.698 4.606 9.747 1.00 0.00 O ATOM 974 OE2 GLU A 417 -0.944 5.703 8.783 1.00 0.00 O ATOM 0 H GLU A 417 2.647 8.705 6.412 1.00 0.00 H new ATOM 0 HA GLU A 417 3.948 8.342 8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.749 6.365 9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 417 1.661 7.738 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 417 0.746 6.938 7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.846 5.574 7.503 1.00 0.00 H new ATOM 981 N THR A 418 3.626 6.622 6.143 1.00 0.00 N ATOM 982 CA THR A 418 4.331 5.730 5.227 1.00 0.00 C ATOM 983 C THR A 418 5.531 6.420 4.574 1.00 0.00 C ATOM 984 O THR A 418 5.808 6.214 3.391 1.00 0.00 O ATOM 985 CB THR A 418 3.390 5.201 4.131 1.00 0.00 C ATOM 986 OG1 THR A 418 4.087 4.288 3.276 1.00 0.00 O ATOM 987 CG2 THR A 418 2.837 6.347 3.309 1.00 0.00 C ATOM 0 H THR A 418 2.750 6.997 5.778 1.00 0.00 H new ATOM 0 HA THR A 418 4.693 4.893 5.824 1.00 0.00 H new ATOM 0 HB THR A 418 2.563 4.679 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 418 4.915 4.705 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 418 2.173 5.955 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 418 2.280 7.024 3.957 1.00 0.00 H new ATOM 0 HG23 THR A 418 3.659 6.888 2.839 1.00 0.00 H new ATOM 995 N ALA A 419 6.249 7.231 5.351 1.00 0.00 N ATOM 996 CA ALA A 419 7.420 7.938 4.843 1.00 0.00 C ATOM 997 C ALA A 419 8.135 8.700 5.954 1.00 0.00 C ATOM 998 O ALA A 419 9.334 8.519 6.169 1.00 0.00 O ATOM 999 CB ALA A 419 7.021 8.891 3.725 1.00 0.00 C ATOM 0 H ALA A 419 6.039 7.413 6.332 1.00 0.00 H new ATOM 0 HA ALA A 419 8.111 7.194 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 419 7.906 9.411 3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.567 8.327 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 419 6.305 9.619 4.106 1.00 0.00 H new ATOM 1005 N LYS A 420 7.396 9.554 6.655 1.00 0.00 N ATOM 1006 CA LYS A 420 7.966 10.344 7.742 1.00 0.00 C ATOM 1007 C LYS A 420 8.155 9.500 8.997 1.00 0.00 C ATOM 1008 O LYS A 420 9.208 9.544 9.634 1.00 0.00 O ATOM 1009 CB LYS A 420 7.080 11.555 8.057 1.00 0.00 C ATOM 1010 CG LYS A 420 7.043 12.604 6.953 1.00 0.00 C ATOM 1011 CD LYS A 420 6.323 12.103 5.709 1.00 0.00 C ATOM 1012 CE LYS A 420 4.858 11.811 5.990 1.00 0.00 C ATOM 1013 NZ LYS A 420 4.137 13.015 6.490 1.00 0.00 N ATOM 0 H LYS A 420 6.403 9.717 6.491 1.00 0.00 H new ATOM 0 HA LYS A 420 8.943 10.697 7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 420 6.064 11.208 8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 420 7.435 12.022 8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.546 13.501 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 420 8.062 12.890 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 420 6.401 12.849 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 420 6.811 11.199 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 420 4.378 11.453 5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 420 4.782 11.011 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 3.913 12.892 7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 4.738 13.855 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 3.255 13.140 5.953 1.00 0.00 H new ATOM 1027 N ASP A 421 7.126 8.740 9.351 1.00 0.00 N ATOM 1028 CA ASP A 421 7.169 7.889 10.535 1.00 0.00 C ATOM 1029 C ASP A 421 8.149 6.728 10.334 1.00 0.00 C ATOM 1030 O ASP A 421 9.271 6.930 9.868 1.00 0.00 O ATOM 1031 CB ASP A 421 5.762 7.370 10.852 1.00 0.00 C ATOM 1032 CG ASP A 421 5.663 6.736 12.229 1.00 0.00 C ATOM 1033 OD1 ASP A 421 6.683 6.715 12.950 1.00 0.00 O ATOM 1034 OD2 ASP A 421 4.564 6.264 12.586 1.00 0.00 O ATOM 0 H ASP A 421 6.248 8.695 8.833 1.00 0.00 H new ATOM 0 HA ASP A 421 7.523 8.478 11.381 1.00 0.00 H new ATOM 0 HB2 ASP A 421 5.052 8.195 10.785 1.00 0.00 H new ATOM 0 HB3 ASP A 421 5.472 6.638 10.099 1.00 0.00 H new ATOM 1039 N GLY A 422 7.726 5.514 10.684 1.00 0.00 N ATOM 1040 CA GLY A 422 8.585 4.352 10.532 1.00 0.00 C ATOM 1041 C GLY A 422 9.852 4.449 11.360 1.00 0.00 C ATOM 1042 O GLY A 422 9.826 4.934 12.492 1.00 0.00 O ATOM 0 H GLY A 422 6.803 5.316 11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 422 8.034 3.457 10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 422 8.850 4.236 9.481 1.00 0.00 H new ATOM 1046 N LYS A 423 10.962 3.985 10.790 1.00 0.00 N ATOM 1047 CA LYS A 423 12.252 4.013 11.473 1.00 0.00 C ATOM 1048 C LYS A 423 12.178 3.305 12.822 1.00 0.00 C ATOM 1049 O LYS A 423 12.765 3.760 13.805 1.00 0.00 O ATOM 1050 CB LYS A 423 12.723 5.458 11.664 1.00 0.00 C ATOM 1051 CG LYS A 423 12.922 6.208 10.357 1.00 0.00 C ATOM 1052 CD LYS A 423 13.422 7.624 10.597 1.00 0.00 C ATOM 1053 CE LYS A 423 13.633 8.369 9.289 1.00 0.00 C ATOM 1054 NZ LYS A 423 14.636 7.693 8.420 1.00 0.00 N ATOM 0 H LYS A 423 10.993 3.584 9.853 1.00 0.00 H new ATOM 0 HA LYS A 423 12.972 3.483 10.849 1.00 0.00 H new ATOM 0 HB2 LYS A 423 11.994 5.992 12.273 1.00 0.00 H new ATOM 0 HB3 LYS A 423 13.661 5.456 12.219 1.00 0.00 H new ATOM 0 HG2 LYS A 423 13.635 5.670 9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 423 11.981 6.242 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 423 12.704 8.165 11.213 1.00 0.00 H new ATOM 0 HD3 LYS A 423 14.359 7.591 11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 423 12.684 8.445 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 423 13.962 9.386 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 14.928 8.339 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 15.467 7.430 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 14.215 6.837 8.005 1.00 0.00 H new ATOM 1068 N THR A 424 11.457 2.189 12.863 1.00 0.00 N ATOM 1069 CA THR A 424 11.311 1.422 14.093 1.00 0.00 C ATOM 1070 C THR A 424 12.613 0.715 14.462 1.00 0.00 C ATOM 1071 O THR A 424 13.237 0.062 13.627 1.00 0.00 O ATOM 1072 CB THR A 424 10.185 0.376 13.978 1.00 0.00 C ATOM 1073 OG1 THR A 424 10.103 -0.391 15.185 1.00 0.00 O ATOM 1074 CG2 THR A 424 10.421 -0.553 12.796 1.00 0.00 C ATOM 0 H THR A 424 10.966 1.797 12.060 1.00 0.00 H new ATOM 0 HA THR A 424 11.054 2.134 14.877 1.00 0.00 H new ATOM 0 HB THR A 424 9.246 0.906 13.819 1.00 0.00 H new ATOM 0 HG1 THR A 424 9.384 -1.052 15.104 1.00 0.00 H new ATOM 0 HG21 THR A 424 9.612 -1.281 12.738 1.00 0.00 H new ATOM 0 HG22 THR A 424 10.451 0.030 11.875 1.00 0.00 H new ATOM 0 HG23 THR A 424 11.369 -1.074 12.927 1.00 0.00 H new ATOM 1082 N GLY A 425 13.014 0.849 15.724 1.00 0.00 N ATOM 1083 CA GLY A 425 14.235 0.215 16.186 1.00 0.00 C ATOM 1084 C GLY A 425 14.633 0.668 17.578 1.00 0.00 C ATOM 1085 O GLY A 425 15.820 0.768 17.888 1.00 0.00 O ATOM 0 H GLY A 425 12.515 1.385 16.434 1.00 0.00 H new ATOM 0 HA2 GLY A 425 14.102 -0.867 16.183 1.00 0.00 H new ATOM 0 HA3 GLY A 425 15.043 0.439 15.489 1.00 0.00 H new ATOM 1089 N ASN A 426 13.636 0.939 18.416 1.00 0.00 N ATOM 1090 CA ASN A 426 13.881 1.381 19.785 1.00 0.00 C ATOM 1091 C ASN A 426 12.580 1.430 20.580 1.00 0.00 C ATOM 1092 O ASN A 426 11.603 2.046 20.154 1.00 0.00 O ATOM 1093 CB ASN A 426 14.553 2.756 19.784 1.00 0.00 C ATOM 1094 CG ASN A 426 13.749 3.795 19.027 1.00 0.00 C ATOM 1095 OD1 ASN A 426 13.453 3.627 17.844 1.00 0.00 O ATOM 1096 ND2 ASN A 426 13.397 4.880 19.705 1.00 0.00 N ATOM 0 H ASN A 426 12.649 0.860 18.170 1.00 0.00 H new ATOM 0 HA ASN A 426 14.547 0.662 20.263 1.00 0.00 H new ATOM 0 HB2 ASN A 426 14.694 3.089 20.812 1.00 0.00 H new ATOM 0 HB3 ASN A 426 15.544 2.672 19.338 1.00 0.00 H new ATOM 0 HD21 ASN A 426 12.860 5.616 19.247 1.00 0.00 H new ATOM 0 HD22 ASN A 426 13.664 4.978 20.685 1.00 0.00 H new ATOM 1103 N THR A 427 12.576 0.777 21.738 1.00 0.00 N ATOM 1104 CA THR A 427 11.395 0.741 22.595 1.00 0.00 C ATOM 1105 C THR A 427 11.200 2.068 23.324 1.00 0.00 C ATOM 1106 O THR A 427 12.144 2.617 23.888 1.00 0.00 O ATOM 1107 CB THR A 427 11.492 -0.396 23.632 1.00 0.00 C ATOM 1108 OG1 THR A 427 11.709 -1.646 22.966 1.00 0.00 O ATOM 1109 CG2 THR A 427 10.224 -0.480 24.468 1.00 0.00 C ATOM 0 H THR A 427 13.378 0.265 22.105 1.00 0.00 H new ATOM 0 HA THR A 427 10.538 0.561 21.947 1.00 0.00 H new ATOM 0 HB THR A 427 12.331 -0.182 24.294 1.00 0.00 H new ATOM 0 HG1 THR A 427 11.771 -2.364 23.630 1.00 0.00 H new ATOM 0 HG21 THR A 427 10.318 -1.290 25.192 1.00 0.00 H new ATOM 0 HG22 THR A 427 10.073 0.462 24.995 1.00 0.00 H new ATOM 0 HG23 THR A 427 9.371 -0.672 23.817 1.00 0.00 H new ATOM 1117 N ASN A 428 9.961 2.562 23.316 1.00 0.00 N ATOM 1118 CA ASN A 428 9.607 3.813 23.975 1.00 0.00 C ATOM 1119 C ASN A 428 8.093 3.949 24.067 1.00 0.00 C ATOM 1120 O ASN A 428 7.546 4.198 25.141 1.00 0.00 O ATOM 1121 CB ASN A 428 10.183 5.020 23.223 1.00 0.00 C ATOM 1122 CG ASN A 428 11.682 5.169 23.395 1.00 0.00 C ATOM 1123 OD1 ASN A 428 12.412 5.108 22.289 1.00 0.00 O flip ATOM 1124 ND2 ASN A 428 12.177 5.336 24.510 1.00 0.00 N flip ATOM 0 H ASN A 428 9.177 2.104 22.852 1.00 0.00 H new ATOM 0 HA ASN A 428 10.034 3.793 24.978 1.00 0.00 H new ATOM 0 HB2 ASN A 428 9.953 4.923 22.162 1.00 0.00 H new ATOM 0 HB3 ASN A 428 9.691 5.927 23.574 1.00 0.00 H new ATOM 0 HD21 ASN A 428 11.577 5.377 25.334 1.00 0.00 H new ATOM 0 HD22 ASN A 428 13.187 5.434 24.610 1.00 0.00 H new ATOM 1131 N THR A 429 7.421 3.773 22.932 1.00 0.00 N ATOM 1132 CA THR A 429 5.967 3.866 22.884 1.00 0.00 C ATOM 1133 C THR A 429 5.331 2.724 23.665 1.00 0.00 C ATOM 1134 O THR A 429 5.643 1.556 23.435 1.00 0.00 O ATOM 1135 CB THR A 429 5.448 3.834 21.434 1.00 0.00 C ATOM 1136 OG1 THR A 429 5.840 2.611 20.799 1.00 0.00 O ATOM 1137 CG2 THR A 429 5.984 5.017 20.642 1.00 0.00 C ATOM 0 H THR A 429 7.861 3.566 22.035 1.00 0.00 H new ATOM 0 HA THR A 429 5.690 4.819 23.335 1.00 0.00 H new ATOM 0 HB THR A 429 4.360 3.896 21.459 1.00 0.00 H new ATOM 0 HG1 THR A 429 5.896 1.898 21.469 1.00 0.00 H new ATOM 0 HG21 THR A 429 5.604 4.973 19.621 1.00 0.00 H new ATOM 0 HG22 THR A 429 5.659 5.946 21.111 1.00 0.00 H new ATOM 0 HG23 THR A 429 7.073 4.980 20.626 1.00 0.00 H new ATOM 1145 N THR A 430 4.444 3.074 24.594 1.00 0.00 N ATOM 1146 CA THR A 430 3.760 2.087 25.424 1.00 0.00 C ATOM 1147 C THR A 430 4.745 1.092 26.030 1.00 0.00 C ATOM 1148 O THR A 430 4.393 -0.054 26.311 1.00 0.00 O ATOM 1149 CB THR A 430 2.687 1.318 24.626 1.00 0.00 C ATOM 1150 OG1 THR A 430 3.292 0.593 23.549 1.00 0.00 O ATOM 1151 CG2 THR A 430 1.638 2.272 24.073 1.00 0.00 C ATOM 0 H THR A 430 4.182 4.040 24.791 1.00 0.00 H new ATOM 0 HA THR A 430 3.272 2.640 26.227 1.00 0.00 H new ATOM 0 HB THR A 430 2.201 0.616 25.304 1.00 0.00 H new ATOM 0 HG1 THR A 430 4.265 0.584 23.666 1.00 0.00 H new ATOM 0 HG21 THR A 430 0.892 1.708 23.514 1.00 0.00 H new ATOM 0 HG22 THR A 430 1.154 2.797 24.896 1.00 0.00 H new ATOM 0 HG23 THR A 430 2.116 2.995 23.412 1.00 0.00 H new ATOM 1159 N GLY A 431 5.982 1.539 26.233 1.00 0.00 N ATOM 1160 CA GLY A 431 6.998 0.675 26.807 1.00 0.00 C ATOM 1161 C GLY A 431 8.252 1.435 27.194 1.00 0.00 C ATOM 1162 O GLY A 431 9.364 0.990 26.917 1.00 0.00 O ATOM 0 H GLY A 431 6.298 2.483 26.010 1.00 0.00 H new ATOM 0 HA2 GLY A 431 6.592 0.177 27.687 1.00 0.00 H new ATOM 0 HA3 GLY A 431 7.256 -0.104 26.090 1.00 0.00 H new ATOM 1166 N SER A 432 8.071 2.585 27.838 1.00 0.00 N ATOM 1167 CA SER A 432 9.198 3.405 28.264 1.00 0.00 C ATOM 1168 C SER A 432 10.094 2.640 29.233 1.00 0.00 C ATOM 1169 O SER A 432 9.620 2.085 30.223 1.00 0.00 O ATOM 1170 CB SER A 432 8.697 4.693 28.921 1.00 0.00 C ATOM 1171 OG SER A 432 7.903 4.408 30.060 1.00 0.00 O ATOM 0 H SER A 432 7.156 2.968 28.075 1.00 0.00 H new ATOM 0 HA SER A 432 9.785 3.659 27.381 1.00 0.00 H new ATOM 0 HB2 SER A 432 9.546 5.311 29.211 1.00 0.00 H new ATOM 0 HB3 SER A 432 8.114 5.269 28.202 1.00 0.00 H new ATOM 0 HG SER A 432 8.195 3.562 30.459 1.00 0.00 H new ATOM 1177 N SER A 433 11.392 2.621 28.939 1.00 0.00 N ATOM 1178 CA SER A 433 12.365 1.928 29.779 1.00 0.00 C ATOM 1179 C SER A 433 13.785 2.369 29.439 1.00 0.00 C ATOM 1180 O SER A 433 14.650 2.317 30.337 1.00 0.00 O ATOM 1181 CB SER A 433 12.242 0.411 29.606 1.00 0.00 C ATOM 1182 OG SER A 433 10.972 -0.056 30.024 1.00 0.00 O ATOM 1183 OXT SER A 433 14.019 2.761 28.277 1.00 0.00 O ATOM 0 H SER A 433 11.795 3.080 28.122 1.00 0.00 H new ATOM 0 HA SER A 433 12.155 2.186 30.817 1.00 0.00 H new ATOM 0 HB2 SER A 433 12.402 0.149 28.560 1.00 0.00 H new ATOM 0 HB3 SER A 433 13.022 -0.087 30.182 1.00 0.00 H new ATOM 0 HG SER A 433 10.497 0.662 30.492 1.00 0.00 H new TER 1189 SER A 433