USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=28 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 373 GLN :FLIP amide:sc= -0.055 F(o=-1.9!,f=-0.053) USER MOD Set 1.2: A 391 SER OG : rot -178:sc= 0.00176 USER MOD Set 2.1: A 362 THR OG1 : rot 38:sc= 0.192 USER MOD Set 2.2: A 370 SER OG : rot 180:sc= -2.29! USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 363 GLN : amide:sc= -0.888 K(o=-0.89,f=-5.1!) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 366 LYS NZ :NH3+ 168:sc= -0.0413 (180deg=-0.242) USER MOD Single : A 371 GLN :FLIP amide:sc= 0.0107 F(o=-0.77,f=0.011) USER MOD Single : A 372 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) 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= -3.34 F(o=-8.4!,f=-3.3) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -117:sc= -0.617 (180deg=-3.76!) USER MOD Single : A 386 GLN : amide:sc= -2.22! C(o=-2.2!,f=-5.9!) USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 390 LYS NZ :NH3+ 167:sc= -0.528 (180deg=-1.05) USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0.0106 (180deg=0.0106) USER MOD Single : A 396 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.29) USER MOD Single : A 397 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.697 F(o=-4.4!,f=-0.7) USER MOD Single : A 402 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.662) USER MOD Single : A 403 LYS NZ :NH3+ 167:sc= -0.0246 (180deg=-0.253) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 166:sc= -0.0434 (180deg=-0.28) USER MOD Single : A 413 LYS NZ :NH3+ 165:sc= -0.0323 (180deg=-0.264) USER MOD Single : A 418 THR OG1 : rot -77:sc=-0.00186 USER MOD Single : A 420 LYS NZ :NH3+ -131:sc= 0.167 (180deg=-1.73!) USER MOD Single : A 423 LYS NZ :NH3+ -145:sc= -2.99! (180deg=-5.76!) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.135 K(o=-0.14,f=-2.3!) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 53:sc= 0.0872 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 25.554 3.771 -0.876 1.00 0.00 N ATOM 2 CA GLY A 354 24.498 3.074 -1.660 1.00 0.00 C ATOM 3 C GLY A 354 25.012 2.537 -2.980 1.00 0.00 C ATOM 4 O GLY A 354 24.373 2.708 -4.018 1.00 0.00 O ATOM 0 HA2 GLY A 354 24.095 2.251 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 354 23.675 3.764 -1.848 1.00 0.00 H new ATOM 10 N SER A 355 26.171 1.885 -2.941 1.00 0.00 N ATOM 11 CA SER A 355 26.770 1.321 -4.145 1.00 0.00 C ATOM 12 C SER A 355 25.868 0.255 -4.755 1.00 0.00 C ATOM 13 O SER A 355 25.385 -0.638 -4.058 1.00 0.00 O ATOM 14 CB SER A 355 28.142 0.723 -3.825 1.00 0.00 C ATOM 15 OG SER A 355 29.020 1.708 -3.306 1.00 0.00 O ATOM 0 H SER A 355 26.713 1.735 -2.090 1.00 0.00 H new ATOM 0 HA SER A 355 26.891 2.125 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 355 28.030 -0.086 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 355 28.572 0.287 -4.727 1.00 0.00 H new ATOM 0 HG SER A 355 29.889 1.300 -3.108 1.00 0.00 H new ATOM 21 N HIS A 356 25.649 0.351 -6.063 1.00 0.00 N ATOM 22 CA HIS A 356 24.808 -0.605 -6.773 1.00 0.00 C ATOM 23 C HIS A 356 25.413 -2.004 -6.711 1.00 0.00 C ATOM 24 O HIS A 356 26.622 -2.173 -6.867 1.00 0.00 O ATOM 25 CB HIS A 356 24.630 -0.174 -8.231 1.00 0.00 C ATOM 26 CG HIS A 356 23.785 -1.109 -9.039 1.00 0.00 C ATOM 27 ND1 HIS A 356 22.481 -1.421 -8.714 1.00 0.00 N ATOM 28 CD2 HIS A 356 24.064 -1.802 -10.169 1.00 0.00 C ATOM 29 CE1 HIS A 356 21.996 -2.264 -9.609 1.00 0.00 C ATOM 30 NE2 HIS A 356 22.936 -2.510 -10.503 1.00 0.00 N ATOM 0 H HIS A 356 26.044 1.083 -6.653 1.00 0.00 H new ATOM 0 HA HIS A 356 23.832 -0.628 -6.289 1.00 0.00 H new ATOM 0 HB2 HIS A 356 24.181 0.819 -8.254 1.00 0.00 H new ATOM 0 HB3 HIS A 356 25.611 -0.091 -8.698 1.00 0.00 H new ATOM 0 HD2 HIS A 356 25.000 -1.798 -10.707 1.00 0.00 H new ATOM 0 HE1 HIS A 356 21.000 -2.681 -9.609 1.00 0.00 H new ATOM 0 HE2 HIS A 356 22.840 -3.126 -11.310 1.00 0.00 H new ATOM 39 N MET A 357 24.565 -3.002 -6.482 1.00 0.00 N ATOM 40 CA MET A 357 25.020 -4.386 -6.398 1.00 0.00 C ATOM 41 C MET A 357 23.839 -5.350 -6.392 1.00 0.00 C ATOM 42 O MET A 357 23.810 -6.316 -7.155 1.00 0.00 O ATOM 43 CB MET A 357 25.864 -4.587 -5.137 1.00 0.00 C ATOM 44 CG MET A 357 26.369 -6.010 -4.960 1.00 0.00 C ATOM 45 SD MET A 357 27.335 -6.219 -3.452 1.00 0.00 S ATOM 46 CE MET A 357 27.727 -7.964 -3.541 1.00 0.00 C ATOM 0 H MET A 357 23.561 -2.879 -6.351 1.00 0.00 H new ATOM 0 HA MET A 357 25.630 -4.597 -7.276 1.00 0.00 H new ATOM 0 HB2 MET A 357 26.717 -3.910 -5.170 1.00 0.00 H new ATOM 0 HB3 MET A 357 25.271 -4.310 -4.265 1.00 0.00 H new ATOM 0 HG2 MET A 357 25.520 -6.693 -4.941 1.00 0.00 H new ATOM 0 HG3 MET A 357 26.980 -6.285 -5.820 1.00 0.00 H new ATOM 0 HE1 MET A 357 28.324 -8.247 -2.674 1.00 0.00 H new ATOM 0 HE2 MET A 357 26.804 -8.544 -3.552 1.00 0.00 H new ATOM 0 HE3 MET A 357 28.292 -8.164 -4.452 1.00 0.00 H new ATOM 56 N LEU A 358 22.869 -5.081 -5.527 1.00 0.00 N ATOM 57 CA LEU A 358 21.685 -5.926 -5.423 1.00 0.00 C ATOM 58 C LEU A 358 20.823 -5.809 -6.674 1.00 0.00 C ATOM 59 O LEU A 358 20.458 -4.708 -7.089 1.00 0.00 O ATOM 60 CB LEU A 358 20.869 -5.547 -4.185 1.00 0.00 C ATOM 61 CG LEU A 358 21.611 -5.679 -2.855 1.00 0.00 C ATOM 62 CD1 LEU A 358 20.725 -5.230 -1.703 1.00 0.00 C ATOM 63 CD2 LEU A 358 22.079 -7.112 -2.642 1.00 0.00 C ATOM 0 H LEU A 358 22.878 -4.286 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 358 22.014 -6.961 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 358 20.530 -4.517 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 358 19.978 -6.174 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 358 22.488 -5.033 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 358 21.270 -5.331 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 358 20.441 -4.188 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 358 19.829 -5.849 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 358 22.605 -7.185 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 358 21.217 -7.779 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 358 22.751 -7.399 -3.451 1.00 0.00 H new ATOM 75 N GLU A 359 20.501 -6.951 -7.269 1.00 0.00 N ATOM 76 CA GLU A 359 19.681 -6.981 -8.476 1.00 0.00 C ATOM 77 C GLU A 359 18.203 -6.883 -8.133 1.00 0.00 C ATOM 78 O GLU A 359 17.438 -6.184 -8.799 1.00 0.00 O ATOM 79 CB GLU A 359 19.953 -8.258 -9.275 1.00 0.00 C ATOM 80 CG GLU A 359 19.179 -8.338 -10.581 1.00 0.00 C ATOM 81 CD GLU A 359 19.478 -9.602 -11.365 1.00 0.00 C ATOM 82 OE1 GLU A 359 20.280 -10.427 -10.880 1.00 0.00 O ATOM 83 OE2 GLU A 359 18.908 -9.766 -12.466 1.00 0.00 O ATOM 0 H GLU A 359 20.795 -7.869 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 359 19.949 -6.119 -9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 359 21.020 -8.321 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 359 19.701 -9.122 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 359 18.111 -8.292 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 359 19.420 -7.470 -11.195 1.00 0.00 H new ATOM 90 N VAL A 360 17.814 -7.595 -7.091 1.00 0.00 N ATOM 91 CA VAL A 360 16.428 -7.610 -6.637 1.00 0.00 C ATOM 92 C VAL A 360 16.003 -6.233 -6.124 1.00 0.00 C ATOM 93 O VAL A 360 16.705 -5.616 -5.321 1.00 0.00 O ATOM 94 CB VAL A 360 16.221 -8.670 -5.534 1.00 0.00 C ATOM 95 CG1 VAL A 360 17.056 -8.347 -4.304 1.00 0.00 C ATOM 96 CG2 VAL A 360 14.750 -8.792 -5.174 1.00 0.00 C ATOM 0 H VAL A 360 18.442 -8.177 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 360 15.804 -7.869 -7.493 1.00 0.00 H new ATOM 0 HB VAL A 360 16.556 -9.632 -5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 360 16.892 -9.109 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 360 18.111 -8.327 -4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 360 16.764 -7.373 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 360 14.627 -9.544 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 360 14.383 -7.832 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 360 14.183 -9.088 -6.057 1.00 0.00 H new ATOM 106 N LEU A 361 14.853 -5.754 -6.604 1.00 0.00 N ATOM 107 CA LEU A 361 14.325 -4.447 -6.213 1.00 0.00 C ATOM 108 C LEU A 361 15.272 -3.315 -6.616 1.00 0.00 C ATOM 109 O LEU A 361 16.487 -3.412 -6.448 1.00 0.00 O ATOM 110 CB LEU A 361 14.053 -4.397 -4.708 1.00 0.00 C ATOM 111 CG LEU A 361 12.693 -4.949 -4.263 1.00 0.00 C ATOM 112 CD1 LEU A 361 11.560 -4.131 -4.867 1.00 0.00 C ATOM 113 CD2 LEU A 361 12.548 -6.412 -4.646 1.00 0.00 C ATOM 0 H LEU A 361 14.266 -6.257 -7.269 1.00 0.00 H new ATOM 0 HA LEU A 361 13.384 -4.305 -6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 361 14.837 -4.955 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 361 14.131 -3.361 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 361 12.639 -4.873 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 361 10.603 -4.538 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 361 11.645 -3.095 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 361 11.620 -4.174 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 361 11.575 -6.779 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 361 12.630 -6.515 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 361 13.335 -6.994 -4.166 1.00 0.00 H new ATOM 125 N THR A 362 14.700 -2.241 -7.151 1.00 0.00 N ATOM 126 CA THR A 362 15.484 -1.089 -7.583 1.00 0.00 C ATOM 127 C THR A 362 16.216 -0.449 -6.409 1.00 0.00 C ATOM 128 O THR A 362 15.624 -0.189 -5.361 1.00 0.00 O ATOM 129 CB THR A 362 14.595 -0.027 -8.255 1.00 0.00 C ATOM 130 OG1 THR A 362 13.605 0.441 -7.331 1.00 0.00 O ATOM 131 CG2 THR A 362 13.910 -0.594 -9.490 1.00 0.00 C ATOM 0 H THR A 362 13.695 -2.144 -7.296 1.00 0.00 H new ATOM 0 HA THR A 362 16.212 -1.456 -8.306 1.00 0.00 H new ATOM 0 HB THR A 362 15.231 0.804 -8.560 1.00 0.00 H new ATOM 0 HG1 THR A 362 13.996 0.499 -6.434 1.00 0.00 H new ATOM 0 HG21 THR A 362 13.288 0.176 -9.947 1.00 0.00 H new ATOM 0 HG22 THR A 362 14.664 -0.923 -10.205 1.00 0.00 H new ATOM 0 HG23 THR A 362 13.287 -1.441 -9.204 1.00 0.00 H new ATOM 139 N GLN A 363 17.509 -0.196 -6.589 1.00 0.00 N ATOM 140 CA GLN A 363 18.321 0.416 -5.542 1.00 0.00 C ATOM 141 C GLN A 363 17.935 1.879 -5.342 1.00 0.00 C ATOM 142 O GLN A 363 17.858 2.645 -6.302 1.00 0.00 O ATOM 143 CB GLN A 363 19.808 0.310 -5.893 1.00 0.00 C ATOM 144 CG GLN A 363 20.733 0.842 -4.808 1.00 0.00 C ATOM 145 CD GLN A 363 20.624 0.064 -3.511 1.00 0.00 C ATOM 146 OE1 GLN A 363 19.567 0.027 -2.880 1.00 0.00 O ATOM 147 NE2 GLN A 363 21.720 -0.564 -3.105 1.00 0.00 N ATOM 0 H GLN A 363 18.017 -0.405 -7.449 1.00 0.00 H new ATOM 0 HA GLN A 363 18.137 -0.120 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 363 20.053 -0.734 -6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 363 19.994 0.858 -6.817 1.00 0.00 H new ATOM 0 HG2 GLN A 363 21.763 0.804 -5.164 1.00 0.00 H new ATOM 0 HG3 GLN A 363 20.499 1.890 -4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 363 22.575 -0.507 -3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 363 21.708 -1.104 -2.240 1.00 0.00 H new ATOM 156 N LYS A 364 17.699 2.257 -4.087 1.00 0.00 N ATOM 157 CA LYS A 364 17.321 3.629 -3.747 1.00 0.00 C ATOM 158 C LYS A 364 17.726 3.957 -2.314 1.00 0.00 C ATOM 159 O LYS A 364 16.904 3.892 -1.399 1.00 0.00 O ATOM 160 CB LYS A 364 15.809 3.826 -3.907 1.00 0.00 C ATOM 161 CG LYS A 364 15.318 3.762 -5.345 1.00 0.00 C ATOM 162 CD LYS A 364 15.864 4.914 -6.175 1.00 0.00 C ATOM 163 CE LYS A 364 15.349 4.862 -7.605 1.00 0.00 C ATOM 164 NZ LYS A 364 15.838 6.012 -8.415 1.00 0.00 N ATOM 0 H LYS A 364 17.763 1.630 -3.285 1.00 0.00 H new ATOM 0 HA LYS A 364 17.843 4.300 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 364 15.292 3.064 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 364 15.534 4.792 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 364 15.621 2.815 -5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 364 14.228 3.787 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 364 15.578 5.861 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 364 16.953 4.878 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 364 15.666 3.929 -8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 364 14.259 4.860 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 15.464 5.939 -9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 15.514 6.902 -7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 16.878 5.999 -8.443 1.00 0.00 H new ATOM 178 N HIS A 365 18.999 4.306 -2.130 1.00 0.00 N ATOM 179 CA HIS A 365 19.529 4.643 -0.809 1.00 0.00 C ATOM 180 C HIS A 365 19.474 3.435 0.124 1.00 0.00 C ATOM 181 O HIS A 365 18.424 2.816 0.273 1.00 0.00 O ATOM 182 CB HIS A 365 18.751 5.814 -0.201 1.00 0.00 C ATOM 183 CG HIS A 365 19.192 6.174 1.184 1.00 0.00 C ATOM 184 ND1 HIS A 365 20.478 6.572 1.486 1.00 0.00 N ATOM 185 CD2 HIS A 365 18.510 6.196 2.354 1.00 0.00 C ATOM 186 CE1 HIS A 365 20.568 6.822 2.781 1.00 0.00 C ATOM 187 NE2 HIS A 365 19.388 6.603 3.329 1.00 0.00 N ATOM 0 H HIS A 365 19.685 4.363 -2.883 1.00 0.00 H new ATOM 0 HA HIS A 365 20.571 4.938 -0.929 1.00 0.00 H new ATOM 0 HB2 HIS A 365 18.861 6.686 -0.846 1.00 0.00 H new ATOM 0 HB3 HIS A 365 17.690 5.563 -0.182 1.00 0.00 H new ATOM 0 HD2 HIS A 365 17.470 5.941 2.494 1.00 0.00 H new ATOM 0 HE1 HIS A 365 21.456 7.150 3.301 1.00 0.00 H new ATOM 0 HE2 HIS A 365 19.164 6.717 4.317 1.00 0.00 H new ATOM 196 N LYS A 366 20.619 3.121 0.738 1.00 0.00 N ATOM 197 CA LYS A 366 20.759 1.991 1.669 1.00 0.00 C ATOM 198 C LYS A 366 20.227 0.680 1.074 1.00 0.00 C ATOM 199 O LYS A 366 19.200 0.656 0.400 1.00 0.00 O ATOM 200 CB LYS A 366 20.088 2.283 3.021 1.00 0.00 C ATOM 201 CG LYS A 366 18.572 2.380 2.973 1.00 0.00 C ATOM 202 CD LYS A 366 17.987 2.640 4.351 1.00 0.00 C ATOM 203 CE LYS A 366 16.476 2.792 4.297 1.00 0.00 C ATOM 204 NZ LYS A 366 15.815 1.585 3.730 1.00 0.00 N ATOM 0 H LYS A 366 21.483 3.646 0.604 1.00 0.00 H new ATOM 0 HA LYS A 366 21.828 1.864 1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 366 20.366 1.499 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 366 20.486 3.219 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 366 18.279 3.182 2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 366 18.160 1.455 2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 366 18.247 1.818 5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 366 18.430 3.544 4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 366 16.094 2.977 5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 366 16.220 3.663 3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 14.790 1.641 3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 15.999 1.537 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 16.194 0.733 4.190 1.00 0.00 H new ATOM 218 N PRO A 367 20.926 -0.442 1.320 1.00 0.00 N ATOM 219 CA PRO A 367 20.510 -1.748 0.804 1.00 0.00 C ATOM 220 C PRO A 367 19.209 -2.231 1.434 1.00 0.00 C ATOM 221 O PRO A 367 19.131 -2.427 2.648 1.00 0.00 O ATOM 222 CB PRO A 367 21.666 -2.668 1.179 1.00 0.00 C ATOM 223 CG PRO A 367 22.327 -2.008 2.334 1.00 0.00 C ATOM 224 CD PRO A 367 22.160 -0.532 2.121 1.00 0.00 C ATOM 0 HA PRO A 367 20.310 -1.718 -0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 367 21.308 -3.662 1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 367 22.358 -2.791 0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 367 21.872 -2.320 3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 367 23.382 -2.277 2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 367 22.066 0.003 3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 367 23.013 -0.102 1.595 1.00 0.00 H new ATOM 232 N ALA A 368 18.194 -2.420 0.594 1.00 0.00 N ATOM 233 CA ALA A 368 16.884 -2.880 1.047 1.00 0.00 C ATOM 234 C ALA A 368 15.921 -3.008 -0.130 1.00 0.00 C ATOM 235 O ALA A 368 16.343 -3.223 -1.266 1.00 0.00 O ATOM 236 CB ALA A 368 16.322 -1.921 2.090 1.00 0.00 C ATOM 0 H ALA A 368 18.255 -2.260 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 368 17.001 -3.864 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 368 15.345 -2.274 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 368 16.999 -1.874 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 368 16.220 -0.928 1.653 1.00 0.00 H new ATOM 242 N GLU A 369 14.629 -2.871 0.148 1.00 0.00 N ATOM 243 CA GLU A 369 13.609 -2.965 -0.890 1.00 0.00 C ATOM 244 C GLU A 369 13.559 -1.669 -1.706 1.00 0.00 C ATOM 245 O GLU A 369 14.603 -1.119 -2.060 1.00 0.00 O ATOM 246 CB GLU A 369 12.247 -3.266 -0.258 1.00 0.00 C ATOM 247 CG GLU A 369 12.270 -4.445 0.706 1.00 0.00 C ATOM 248 CD GLU A 369 12.587 -5.765 0.024 1.00 0.00 C ATOM 249 OE1 GLU A 369 12.742 -5.777 -1.215 1.00 0.00 O ATOM 250 OE2 GLU A 369 12.674 -6.791 0.733 1.00 0.00 O ATOM 0 H GLU A 369 14.263 -2.694 1.084 1.00 0.00 H new ATOM 0 HA GLU A 369 13.863 -3.781 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 369 11.898 -2.380 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 369 11.525 -3.468 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 369 13.011 -4.257 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 369 11.302 -4.521 1.201 1.00 0.00 H new ATOM 257 N SER A 370 12.352 -1.182 -1.996 1.00 0.00 N ATOM 258 CA SER A 370 12.183 0.050 -2.762 1.00 0.00 C ATOM 259 C SER A 370 10.707 0.411 -2.881 1.00 0.00 C ATOM 260 O SER A 370 10.329 1.578 -2.782 1.00 0.00 O ATOM 261 CB SER A 370 12.796 -0.093 -4.158 1.00 0.00 C ATOM 262 OG SER A 370 12.191 -1.153 -4.876 1.00 0.00 O ATOM 0 H SER A 370 11.478 -1.623 -1.711 1.00 0.00 H new ATOM 0 HA SER A 370 12.700 0.849 -2.231 1.00 0.00 H new ATOM 0 HB2 SER A 370 12.674 0.839 -4.709 1.00 0.00 H new ATOM 0 HB3 SER A 370 13.867 -0.274 -4.071 1.00 0.00 H new ATOM 0 HG SER A 370 12.599 -1.221 -5.764 1.00 0.00 H new ATOM 268 N GLN A 371 9.885 -0.605 -3.094 1.00 0.00 N ATOM 269 CA GLN A 371 8.443 -0.421 -3.230 1.00 0.00 C ATOM 270 C GLN A 371 7.834 0.107 -1.933 1.00 0.00 C ATOM 271 O GLN A 371 8.260 -0.263 -0.839 1.00 0.00 O ATOM 272 CB GLN A 371 7.774 -1.741 -3.622 1.00 0.00 C ATOM 273 CG GLN A 371 6.267 -1.635 -3.799 1.00 0.00 C ATOM 274 CD GLN A 371 5.875 -0.653 -4.885 1.00 0.00 C ATOM 275 OE1 GLN A 371 5.116 0.371 -4.509 1.00 0.00 O flip ATOM 276 NE2 GLN A 371 6.249 -0.811 -6.047 1.00 0.00 N flip ATOM 0 H GLN A 371 10.192 -1.574 -3.177 1.00 0.00 H new ATOM 0 HA GLN A 371 8.269 0.314 -4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 371 8.216 -2.100 -4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 371 7.989 -2.488 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 371 5.863 -2.618 -4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 371 5.815 -1.328 -2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 371 6.831 -1.612 -6.291 1.00 0.00 H new ATOM 0 HE22 GLN A 371 5.977 -0.141 -6.766 1.00 0.00 H new ATOM 285 N GLN A 372 6.834 0.973 -2.067 1.00 0.00 N ATOM 286 CA GLN A 372 6.159 1.554 -0.911 1.00 0.00 C ATOM 287 C GLN A 372 4.743 1.990 -1.276 1.00 0.00 C ATOM 288 O GLN A 372 4.520 2.598 -2.323 1.00 0.00 O ATOM 289 CB GLN A 372 6.957 2.743 -0.370 1.00 0.00 C ATOM 290 CG GLN A 372 7.172 3.849 -1.392 1.00 0.00 C ATOM 291 CD GLN A 372 7.997 5.007 -0.854 1.00 0.00 C ATOM 292 OE1 GLN A 372 8.418 4.913 0.405 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 8.256 5.979 -1.564 1.00 0.00 N flip ATOM 0 H GLN A 372 6.472 1.289 -2.967 1.00 0.00 H new ATOM 0 HA GLN A 372 6.095 0.792 -0.134 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.437 3.155 0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 372 7.927 2.390 -0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 372 7.669 3.434 -2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 372 6.203 4.224 -1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 372 7.915 6.014 -2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 372 8.812 6.749 -1.192 1.00 0.00 H new ATOM 302 N GLN A 373 3.787 1.666 -0.409 1.00 0.00 N ATOM 303 CA GLN A 373 2.388 2.013 -0.640 1.00 0.00 C ATOM 304 C GLN A 373 2.212 3.520 -0.809 1.00 0.00 C ATOM 305 O GLN A 373 2.760 4.312 -0.043 1.00 0.00 O ATOM 306 CB GLN A 373 1.521 1.513 0.518 1.00 0.00 C ATOM 307 CG GLN A 373 0.039 1.796 0.338 1.00 0.00 C ATOM 308 CD GLN A 373 -0.798 1.280 1.494 1.00 0.00 C ATOM 309 OE1 GLN A 373 -1.744 0.398 1.193 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 -0.597 1.672 2.643 1.00 0.00 N flip ATOM 0 H GLN A 373 3.957 1.163 0.462 1.00 0.00 H new ATOM 0 HA GLN A 373 2.071 1.528 -1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.666 0.439 0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.861 1.979 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -0.112 2.871 0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.305 1.336 -0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.141 2.351 2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -1.169 1.318 3.410 1.00 0.00 H new ATOM 319 N ALA A 374 1.434 3.906 -1.818 1.00 0.00 N ATOM 320 CA ALA A 374 1.172 5.312 -2.093 1.00 0.00 C ATOM 321 C ALA A 374 -0.327 5.577 -2.145 1.00 0.00 C ATOM 322 O ALA A 374 -1.086 4.779 -2.696 1.00 0.00 O ATOM 323 CB ALA A 374 1.830 5.728 -3.400 1.00 0.00 C ATOM 0 H ALA A 374 0.974 3.260 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 374 1.598 5.906 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.625 6.781 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.907 5.575 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.430 5.126 -4.216 1.00 0.00 H new ATOM 329 N ALA A 375 -0.750 6.696 -1.567 1.00 0.00 N ATOM 330 CA ALA A 375 -2.162 7.056 -1.550 1.00 0.00 C ATOM 331 C ALA A 375 -2.741 7.058 -2.961 1.00 0.00 C ATOM 332 O ALA A 375 -2.534 7.996 -3.730 1.00 0.00 O ATOM 333 CB ALA A 375 -2.351 8.417 -0.897 1.00 0.00 C ATOM 0 H ALA A 375 -0.137 7.368 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.698 6.308 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.410 8.674 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.980 8.384 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.798 9.170 -1.459 1.00 0.00 H new ATOM 339 N GLU A 376 -3.467 5.993 -3.288 1.00 0.00 N ATOM 340 CA GLU A 376 -4.086 5.846 -4.598 1.00 0.00 C ATOM 341 C GLU A 376 -5.201 6.870 -4.793 1.00 0.00 C ATOM 342 O GLU A 376 -5.120 7.991 -4.292 1.00 0.00 O ATOM 343 CB GLU A 376 -4.619 4.420 -4.747 1.00 0.00 C ATOM 344 CG GLU A 376 -3.554 3.359 -4.533 1.00 0.00 C ATOM 345 CD GLU A 376 -2.443 3.431 -5.563 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.740 3.290 -6.768 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.276 3.630 -5.165 1.00 0.00 O ATOM 0 H GLU A 376 -3.641 5.212 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.338 6.030 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.427 4.264 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.047 4.301 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.128 3.473 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.016 2.373 -4.571 1.00 0.00 H new ATOM 354 N THR A 377 -6.235 6.484 -5.530 1.00 0.00 N ATOM 355 CA THR A 377 -7.356 7.372 -5.800 1.00 0.00 C ATOM 356 C THR A 377 -8.668 6.605 -5.814 1.00 0.00 C ATOM 357 O THR A 377 -8.681 5.388 -5.999 1.00 0.00 O ATOM 358 CB THR A 377 -7.176 8.104 -7.140 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.190 7.163 -8.221 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.867 8.876 -7.153 1.00 0.00 C ATOM 0 H THR A 377 -6.319 5.559 -5.952 1.00 0.00 H new ATOM 0 HA THR A 377 -7.384 8.109 -4.998 1.00 0.00 H new ATOM 0 HB THR A 377 -8.001 8.806 -7.262 1.00 0.00 H new ATOM 0 HG1 THR A 377 -7.076 7.639 -9.070 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.756 9.388 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.869 9.609 -6.347 1.00 0.00 H new ATOM 0 HG23 THR A 377 -5.036 8.185 -7.013 1.00 0.00 H new ATOM 368 N GLU A 378 -9.768 7.323 -5.601 1.00 0.00 N ATOM 369 CA GLU A 378 -11.092 6.712 -5.575 1.00 0.00 C ATOM 370 C GLU A 378 -11.269 5.743 -6.733 1.00 0.00 C ATOM 371 O GLU A 378 -11.828 4.661 -6.571 1.00 0.00 O ATOM 372 CB GLU A 378 -12.173 7.790 -5.632 1.00 0.00 C ATOM 373 CG GLU A 378 -13.584 7.239 -5.508 1.00 0.00 C ATOM 374 CD GLU A 378 -14.645 8.319 -5.606 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.278 9.499 -5.781 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.844 7.982 -5.506 1.00 0.00 O ATOM 0 H GLU A 378 -9.767 8.331 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.188 6.156 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -12.000 8.509 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -12.085 8.333 -6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.751 6.499 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.685 6.722 -4.554 1.00 0.00 H new ATOM 383 N GLY A 379 -10.792 6.144 -7.901 1.00 0.00 N ATOM 384 CA GLY A 379 -10.910 5.307 -9.076 1.00 0.00 C ATOM 385 C GLY A 379 -10.136 4.012 -8.964 1.00 0.00 C ATOM 386 O GLY A 379 -10.618 2.961 -9.384 1.00 0.00 O ATOM 0 H GLY A 379 -10.324 7.037 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.962 5.080 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.556 5.861 -9.946 1.00 0.00 H new ATOM 390 N SER A 380 -8.935 4.082 -8.407 1.00 0.00 N ATOM 391 CA SER A 380 -8.102 2.895 -8.258 1.00 0.00 C ATOM 392 C SER A 380 -8.687 1.923 -7.238 1.00 0.00 C ATOM 393 O SER A 380 -8.821 0.730 -7.507 1.00 0.00 O ATOM 394 CB SER A 380 -6.691 3.291 -7.843 1.00 0.00 C ATOM 395 OG SER A 380 -5.870 2.148 -7.675 1.00 0.00 O ATOM 0 H SER A 380 -8.517 4.942 -8.053 1.00 0.00 H new ATOM 0 HA SER A 380 -8.069 2.392 -9.224 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.257 3.947 -8.598 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.727 3.857 -6.912 1.00 0.00 H new ATOM 0 HG SER A 380 -4.969 2.428 -7.410 1.00 0.00 H new ATOM 401 N CYS A 381 -9.020 2.442 -6.062 1.00 0.00 N ATOM 402 CA CYS A 381 -9.570 1.626 -4.983 1.00 0.00 C ATOM 403 C CYS A 381 -10.816 0.853 -5.410 1.00 0.00 C ATOM 404 O CYS A 381 -10.937 -0.340 -5.128 1.00 0.00 O ATOM 405 CB CYS A 381 -9.896 2.507 -3.780 1.00 0.00 C ATOM 406 SG CYS A 381 -8.430 3.181 -2.945 1.00 0.00 S ATOM 0 H CYS A 381 -8.918 3.430 -5.829 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.810 0.892 -4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.528 3.333 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.476 1.926 -3.063 1.00 0.00 H new ATOM 411 N ASN A 382 -11.743 1.533 -6.075 1.00 0.00 N ATOM 412 CA ASN A 382 -12.982 0.899 -6.519 1.00 0.00 C ATOM 413 C ASN A 382 -12.702 -0.360 -7.331 1.00 0.00 C ATOM 414 O ASN A 382 -13.544 -1.254 -7.417 1.00 0.00 O ATOM 415 CB ASN A 382 -13.816 1.874 -7.354 1.00 0.00 C ATOM 416 CG ASN A 382 -14.184 3.141 -6.602 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.775 3.232 -5.343 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.833 4.030 -7.151 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.662 2.520 -6.319 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.543 0.617 -5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.260 2.141 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.728 1.375 -7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.128 3.921 -8.121 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.076 4.876 -6.636 1.00 0.00 H new ATOM 425 N LYS A 383 -11.524 -0.418 -7.940 1.00 0.00 N ATOM 426 CA LYS A 383 -11.140 -1.558 -8.760 1.00 0.00 C ATOM 427 C LYS A 383 -10.504 -2.662 -7.920 1.00 0.00 C ATOM 428 O LYS A 383 -10.671 -3.848 -8.207 1.00 0.00 O ATOM 429 CB LYS A 383 -10.169 -1.106 -9.849 1.00 0.00 C ATOM 430 CG LYS A 383 -10.603 0.169 -10.559 1.00 0.00 C ATOM 431 CD LYS A 383 -11.978 0.030 -11.196 1.00 0.00 C ATOM 432 CE LYS A 383 -11.986 -1.024 -12.294 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.328 -1.158 -12.925 1.00 0.00 N ATOM 0 H LYS A 383 -10.817 0.314 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.042 -1.964 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.186 -0.949 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.063 -1.904 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.616 0.994 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.872 0.423 -11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.708 -0.236 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.286 0.990 -11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.252 -0.761 -13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.683 -1.985 -11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.291 -1.885 -13.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -14.025 -1.434 -12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.606 -0.248 -13.345 1.00 0.00 H new ATOM 447 N LYS A 384 -9.760 -2.263 -6.894 1.00 0.00 N ATOM 448 CA LYS A 384 -9.078 -3.211 -6.023 1.00 0.00 C ATOM 449 C LYS A 384 -10.057 -4.079 -5.239 1.00 0.00 C ATOM 450 O LYS A 384 -10.976 -3.572 -4.595 1.00 0.00 O ATOM 451 CB LYS A 384 -8.166 -2.451 -5.062 1.00 0.00 C ATOM 452 CG LYS A 384 -6.831 -2.021 -5.664 1.00 0.00 C ATOM 453 CD LYS A 384 -6.974 -1.415 -7.053 1.00 0.00 C ATOM 454 CE LYS A 384 -6.768 -2.453 -8.145 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.906 -1.862 -9.505 1.00 0.00 N ATOM 0 H LYS A 384 -9.614 -1.285 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.487 -3.878 -6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.692 -1.565 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.973 -3.078 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.358 -1.295 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.167 -2.884 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.964 -0.971 -7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.249 -0.610 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.778 -2.898 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.494 -3.257 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.712 -2.301 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.067 -0.838 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -6.036 -2.034 -10.048 1.00 0.00 H new ATOM 469 N ASP A 385 -9.838 -5.391 -5.287 1.00 0.00 N ATOM 470 CA ASP A 385 -10.684 -6.339 -4.570 1.00 0.00 C ATOM 471 C ASP A 385 -10.365 -6.309 -3.080 1.00 0.00 C ATOM 472 O ASP A 385 -9.519 -5.533 -2.639 1.00 0.00 O ATOM 473 CB ASP A 385 -10.485 -7.755 -5.119 1.00 0.00 C ATOM 474 CG ASP A 385 -10.820 -7.857 -6.594 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.171 -7.159 -7.400 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.729 -8.639 -6.944 1.00 0.00 O ATOM 0 H ASP A 385 -9.080 -5.822 -5.816 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.725 -6.050 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.450 -8.060 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.110 -8.450 -4.559 1.00 0.00 H new ATOM 481 N GLN A 386 -11.040 -7.160 -2.312 1.00 0.00 N ATOM 482 CA GLN A 386 -10.825 -7.230 -0.869 1.00 0.00 C ATOM 483 C GLN A 386 -9.336 -7.314 -0.551 1.00 0.00 C ATOM 484 O GLN A 386 -8.824 -6.566 0.282 1.00 0.00 O ATOM 485 CB GLN A 386 -11.567 -8.440 -0.287 1.00 0.00 C ATOM 486 CG GLN A 386 -11.495 -8.557 1.232 1.00 0.00 C ATOM 487 CD GLN A 386 -10.283 -9.334 1.720 1.00 0.00 C ATOM 488 OE1 GLN A 386 -9.141 -8.906 1.559 1.00 0.00 O ATOM 489 NE2 GLN A 386 -10.530 -10.493 2.322 1.00 0.00 N ATOM 0 H GLN A 386 -11.741 -7.811 -2.665 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.219 -6.322 -0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.614 -8.386 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.157 -9.348 -0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.475 -7.557 1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.400 -9.044 1.595 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -11.492 -10.814 2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -9.758 -11.062 2.670 1.00 0.00 H new ATOM 498 N ASN A 387 -8.648 -8.226 -1.226 1.00 0.00 N ATOM 499 CA ASN A 387 -7.225 -8.418 -1.033 1.00 0.00 C ATOM 500 C ASN A 387 -6.428 -7.193 -1.467 1.00 0.00 C ATOM 501 O ASN A 387 -5.435 -6.833 -0.835 1.00 0.00 O ATOM 502 CB ASN A 387 -6.772 -9.632 -1.836 1.00 0.00 C ATOM 503 CG ASN A 387 -7.207 -10.941 -1.215 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.395 -11.179 -0.997 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.238 -11.804 -0.933 1.00 0.00 N ATOM 0 H ASN A 387 -9.063 -8.849 -1.919 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.042 -8.575 0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.174 -9.564 -2.847 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.686 -9.620 -1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.465 -12.708 -0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.267 -11.563 -1.131 1.00 0.00 H new ATOM 512 N GLU A 388 -6.854 -6.574 -2.562 1.00 0.00 N ATOM 513 CA GLU A 388 -6.163 -5.408 -3.096 1.00 0.00 C ATOM 514 C GLU A 388 -6.651 -4.117 -2.451 1.00 0.00 C ATOM 515 O GLU A 388 -6.160 -3.035 -2.774 1.00 0.00 O ATOM 516 CB GLU A 388 -6.344 -5.346 -4.612 1.00 0.00 C ATOM 517 CG GLU A 388 -5.962 -6.640 -5.315 1.00 0.00 C ATOM 518 CD GLU A 388 -6.006 -6.522 -6.825 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.273 -5.673 -7.376 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.773 -7.278 -7.458 1.00 0.00 O ATOM 0 H GLU A 388 -7.674 -6.860 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.103 -5.510 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.384 -5.111 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.739 -4.531 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.958 -6.933 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.638 -7.434 -4.997 1.00 0.00 H new ATOM 527 N CYS A 389 -7.607 -4.228 -1.534 1.00 0.00 N ATOM 528 CA CYS A 389 -8.131 -3.052 -0.855 1.00 0.00 C ATOM 529 C CYS A 389 -7.017 -2.400 -0.045 1.00 0.00 C ATOM 530 O CYS A 389 -6.687 -2.845 1.055 1.00 0.00 O ATOM 531 CB CYS A 389 -9.308 -3.428 0.047 1.00 0.00 C ATOM 532 SG CYS A 389 -10.410 -2.031 0.429 1.00 0.00 S ATOM 0 H CYS A 389 -8.030 -5.111 -1.247 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.496 -2.342 -1.597 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.887 -4.215 -0.435 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.923 -3.841 0.979 1.00 0.00 H new ATOM 537 N LYS A 390 -6.418 -1.364 -0.620 1.00 0.00 N ATOM 538 CA LYS A 390 -5.309 -0.660 0.010 1.00 0.00 C ATOM 539 C LYS A 390 -5.754 0.156 1.221 1.00 0.00 C ATOM 540 O LYS A 390 -6.934 0.463 1.383 1.00 0.00 O ATOM 541 CB LYS A 390 -4.615 0.222 -1.020 1.00 0.00 C ATOM 542 CG LYS A 390 -4.058 -0.572 -2.193 1.00 0.00 C ATOM 543 CD LYS A 390 -3.377 0.325 -3.212 1.00 0.00 C ATOM 544 CE LYS A 390 -2.830 -0.479 -4.380 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.172 0.390 -5.393 1.00 0.00 N ATOM 0 H LYS A 390 -6.686 -0.990 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.604 -1.404 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.321 0.964 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.804 0.767 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.345 -1.310 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.866 -1.122 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -4.087 1.066 -3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.565 0.872 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.114 -1.213 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.642 -1.034 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.626 -0.199 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.896 0.919 -5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.534 1.058 -4.915 1.00 0.00 H new ATOM 559 N SER A 391 -4.788 0.481 2.079 1.00 0.00 N ATOM 560 CA SER A 391 -5.047 1.235 3.295 1.00 0.00 C ATOM 561 C SER A 391 -5.778 2.551 3.013 1.00 0.00 C ATOM 562 O SER A 391 -6.828 2.809 3.601 1.00 0.00 O ATOM 563 CB SER A 391 -3.733 1.501 4.028 1.00 0.00 C ATOM 564 OG SER A 391 -3.085 0.288 4.370 1.00 0.00 O ATOM 0 H SER A 391 -3.809 0.228 1.948 1.00 0.00 H new ATOM 0 HA SER A 391 -5.702 0.634 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.077 2.102 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.927 2.080 4.931 1.00 0.00 H new ATOM 0 HG SER A 391 -2.262 0.485 4.864 1.00 0.00 H new ATOM 570 N PRO A 392 -5.249 3.408 2.111 1.00 0.00 N ATOM 571 CA PRO A 392 -5.888 4.680 1.783 1.00 0.00 C ATOM 572 C PRO A 392 -7.352 4.490 1.406 1.00 0.00 C ATOM 573 O PRO A 392 -8.183 5.373 1.624 1.00 0.00 O ATOM 574 CB PRO A 392 -5.085 5.201 0.582 1.00 0.00 C ATOM 575 CG PRO A 392 -4.215 4.079 0.143 1.00 0.00 C ATOM 576 CD PRO A 392 -4.009 3.221 1.345 1.00 0.00 C ATOM 0 HA PRO A 392 -5.887 5.369 2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.749 5.516 -0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.488 6.070 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.684 3.515 -0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.264 4.450 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.858 2.176 1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.133 3.531 1.915 1.00 0.00 H new ATOM 584 N CYS A 393 -7.655 3.328 0.834 1.00 0.00 N ATOM 585 CA CYS A 393 -9.012 3.004 0.416 1.00 0.00 C ATOM 586 C CYS A 393 -9.944 2.877 1.619 1.00 0.00 C ATOM 587 O CYS A 393 -9.640 3.353 2.712 1.00 0.00 O ATOM 588 CB CYS A 393 -9.007 1.691 -0.371 1.00 0.00 C ATOM 589 SG CYS A 393 -7.825 1.655 -1.757 1.00 0.00 S ATOM 0 H CYS A 393 -6.973 2.592 0.649 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.378 3.813 -0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.775 0.873 0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.009 1.509 -0.758 1.00 0.00 H new ATOM 594 N LYS A 394 -11.074 2.212 1.407 1.00 0.00 N ATOM 595 CA LYS A 394 -12.054 1.992 2.463 1.00 0.00 C ATOM 596 C LYS A 394 -12.929 0.794 2.123 1.00 0.00 C ATOM 597 O LYS A 394 -13.700 0.819 1.158 1.00 0.00 O ATOM 598 CB LYS A 394 -12.918 3.237 2.676 1.00 0.00 C ATOM 599 CG LYS A 394 -13.932 3.089 3.799 1.00 0.00 C ATOM 600 CD LYS A 394 -14.755 4.354 3.991 1.00 0.00 C ATOM 601 CE LYS A 394 -13.890 5.528 4.423 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.691 6.769 4.615 1.00 0.00 N ATOM 0 H LYS A 394 -11.335 1.813 0.505 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.518 1.789 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.270 4.086 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.445 3.466 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.597 2.253 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.413 2.849 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.265 4.601 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.527 4.176 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.379 5.279 5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.119 5.706 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.064 7.545 4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.159 7.022 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.410 6.608 5.349 1.00 0.00 H new ATOM 616 N TRP A 395 -12.780 -0.258 2.923 1.00 0.00 N ATOM 617 CA TRP A 395 -13.523 -1.495 2.731 1.00 0.00 C ATOM 618 C TRP A 395 -14.961 -1.374 3.224 1.00 0.00 C ATOM 619 O TRP A 395 -15.252 -0.617 4.151 1.00 0.00 O ATOM 620 CB TRP A 395 -12.818 -2.643 3.460 1.00 0.00 C ATOM 621 CG TRP A 395 -13.445 -3.983 3.219 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.921 -4.846 4.164 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.653 -4.621 1.953 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.419 -5.977 3.565 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.264 -5.863 2.207 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.385 -4.262 0.628 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.610 -6.746 1.188 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.728 -5.139 -0.382 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.336 -6.369 -0.097 1.00 0.00 C ATOM 0 H TRP A 395 -12.143 -0.275 3.719 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.555 -1.701 1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.775 -2.677 3.144 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.820 -2.438 4.531 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.908 -4.665 5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.836 -6.771 4.050 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.918 -3.316 0.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.078 -7.695 1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.524 -4.873 -1.409 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.593 -7.033 -0.909 1.00 0.00 H new ATOM 640 N HIS A 396 -15.852 -2.138 2.601 1.00 0.00 N ATOM 641 CA HIS A 396 -17.262 -2.143 2.972 1.00 0.00 C ATOM 642 C HIS A 396 -17.845 -3.542 2.811 1.00 0.00 C ATOM 643 O HIS A 396 -17.862 -4.098 1.710 1.00 0.00 O ATOM 644 CB HIS A 396 -18.051 -1.149 2.118 1.00 0.00 C ATOM 645 CG HIS A 396 -17.665 0.281 2.343 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.799 0.913 3.561 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.148 1.203 1.496 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.382 2.162 3.455 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.980 2.364 2.212 1.00 0.00 N ATOM 0 H HIS A 396 -15.620 -2.766 1.831 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.340 -1.842 4.017 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.906 -1.393 1.066 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.114 -1.266 2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.912 1.054 0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.371 2.894 4.249 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.606 3.239 1.844 1.00 0.00 H new ATOM 658 N ASN A 397 -18.316 -4.104 3.920 1.00 0.00 N ATOM 659 CA ASN A 397 -18.896 -5.443 3.926 1.00 0.00 C ATOM 660 C ASN A 397 -20.214 -5.480 3.161 1.00 0.00 C ATOM 661 O ASN A 397 -20.956 -4.497 3.132 1.00 0.00 O ATOM 662 CB ASN A 397 -19.113 -5.915 5.365 1.00 0.00 C ATOM 663 CG ASN A 397 -19.765 -7.283 5.435 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.213 -8.271 4.950 1.00 0.00 O ATOM 665 ND2 ASN A 397 -20.947 -7.344 6.037 1.00 0.00 N ATOM 0 H ASN A 397 -18.307 -3.649 4.833 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.197 -6.114 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.154 -5.946 5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -19.736 -5.192 5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -21.436 -8.236 6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -21.366 -6.499 6.424 1.00 0.00 H new ATOM 672 N ASP A 398 -20.496 -6.628 2.546 1.00 0.00 N ATOM 673 CA ASP A 398 -21.724 -6.816 1.780 1.00 0.00 C ATOM 674 C ASP A 398 -21.771 -5.883 0.570 1.00 0.00 C ATOM 675 O ASP A 398 -21.182 -6.181 -0.469 1.00 0.00 O ATOM 676 CB ASP A 398 -22.950 -6.597 2.675 1.00 0.00 C ATOM 677 CG ASP A 398 -24.253 -6.837 1.940 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.465 -7.969 1.458 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.065 -5.892 1.848 1.00 0.00 O ATOM 0 H ASP A 398 -19.886 -7.445 2.565 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.737 -7.842 1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.893 -7.265 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.937 -5.578 3.062 1.00 0.00 H new ATOM 684 N ALA A 399 -22.482 -4.764 0.705 1.00 0.00 N ATOM 685 CA ALA A 399 -22.614 -3.800 -0.384 1.00 0.00 C ATOM 686 C ALA A 399 -23.268 -4.448 -1.601 1.00 0.00 C ATOM 687 O ALA A 399 -23.779 -5.564 -1.519 1.00 0.00 O ATOM 688 CB ALA A 399 -21.251 -3.225 -0.754 1.00 0.00 C ATOM 0 H ALA A 399 -22.975 -4.504 1.559 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.254 -2.985 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.367 -2.508 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.820 -2.724 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.590 -4.031 -1.073 1.00 0.00 H new ATOM 694 N GLU A 400 -23.240 -3.747 -2.730 1.00 0.00 N ATOM 695 CA GLU A 400 -23.823 -4.269 -3.961 1.00 0.00 C ATOM 696 C GLU A 400 -23.018 -5.465 -4.455 1.00 0.00 C ATOM 697 O GLU A 400 -23.556 -6.388 -5.066 1.00 0.00 O ATOM 698 CB GLU A 400 -23.865 -3.180 -5.037 1.00 0.00 C ATOM 699 CG GLU A 400 -24.663 -1.949 -4.632 1.00 0.00 C ATOM 700 CD GLU A 400 -26.131 -2.250 -4.394 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.438 -3.026 -3.465 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.975 -1.709 -5.139 1.00 0.00 O ATOM 0 H GLU A 400 -22.822 -2.821 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.844 -4.591 -3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -22.845 -2.878 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.295 -3.598 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.232 -1.525 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.574 -1.192 -5.411 1.00 0.00 H new ATOM 709 N ASN A 401 -21.719 -5.428 -4.177 1.00 0.00 N ATOM 710 CA ASN A 401 -20.800 -6.486 -4.572 1.00 0.00 C ATOM 711 C ASN A 401 -19.416 -6.199 -4.003 1.00 0.00 C ATOM 712 O ASN A 401 -18.417 -6.214 -4.724 1.00 0.00 O ATOM 713 CB ASN A 401 -20.737 -6.606 -6.100 1.00 0.00 C ATOM 714 CG ASN A 401 -20.312 -5.319 -6.791 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.084 -4.260 -6.019 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.191 -5.276 -8.015 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.275 -4.662 -3.671 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.161 -7.434 -4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.039 -7.400 -6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.716 -6.904 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.374 -6.108 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -19.907 -4.408 -8.469 1.00 0.00 H new ATOM 723 N LYS A 402 -19.382 -5.908 -2.702 1.00 0.00 N ATOM 724 CA LYS A 402 -18.144 -5.579 -2.001 1.00 0.00 C ATOM 725 C LYS A 402 -17.642 -4.213 -2.447 1.00 0.00 C ATOM 726 O LYS A 402 -17.527 -3.947 -3.644 1.00 0.00 O ATOM 727 CB LYS A 402 -17.073 -6.647 -2.248 1.00 0.00 C ATOM 728 CG LYS A 402 -17.446 -8.020 -1.712 1.00 0.00 C ATOM 729 CD LYS A 402 -17.618 -8.003 -0.200 1.00 0.00 C ATOM 730 CE LYS A 402 -17.965 -9.382 0.339 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.122 -9.375 1.820 1.00 0.00 N ATOM 0 H LYS A 402 -20.211 -5.894 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.351 -5.551 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.888 -6.723 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.139 -6.327 -1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.371 -8.355 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.673 -8.739 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.699 -7.650 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.404 -7.298 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.889 -9.730 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.183 -10.088 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.822 -10.293 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.535 -8.620 2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.119 -9.207 2.063 1.00 0.00 H new ATOM 745 N LYS A 403 -17.364 -3.335 -1.485 1.00 0.00 N ATOM 746 CA LYS A 403 -16.901 -1.992 -1.809 1.00 0.00 C ATOM 747 C LYS A 403 -15.550 -1.669 -1.177 1.00 0.00 C ATOM 748 O LYS A 403 -15.285 -2.012 -0.026 1.00 0.00 O ATOM 749 CB LYS A 403 -17.937 -0.952 -1.376 1.00 0.00 C ATOM 750 CG LYS A 403 -19.215 -0.985 -2.198 1.00 0.00 C ATOM 751 CD LYS A 403 -18.949 -0.650 -3.658 1.00 0.00 C ATOM 752 CE LYS A 403 -20.227 -0.682 -4.480 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.239 0.285 -3.972 1.00 0.00 N ATOM 0 H LYS A 403 -17.451 -3.528 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.772 -1.956 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.186 -1.114 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.494 0.041 -1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.669 -1.974 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.932 -0.275 -1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.495 0.338 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.232 -1.360 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.995 -0.452 -5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.645 -1.688 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.998 0.395 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.641 -0.069 -3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.786 1.206 -3.805 1.00 0.00 H new ATOM 767 N CYS A 404 -14.714 -0.979 -1.947 1.00 0.00 N ATOM 768 CA CYS A 404 -13.388 -0.561 -1.497 1.00 0.00 C ATOM 769 C CYS A 404 -13.068 0.805 -2.093 1.00 0.00 C ATOM 770 O CYS A 404 -12.199 0.929 -2.952 1.00 0.00 O ATOM 771 CB CYS A 404 -12.311 -1.568 -1.913 1.00 0.00 C ATOM 772 SG CYS A 404 -10.633 -1.106 -1.368 1.00 0.00 S ATOM 0 H CYS A 404 -14.936 -0.693 -2.901 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.394 -0.508 -0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.561 -2.546 -1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.317 -1.667 -2.998 1.00 0.00 H new ATOM 777 N THR A 405 -13.801 1.820 -1.651 1.00 0.00 N ATOM 778 CA THR A 405 -13.620 3.177 -2.161 1.00 0.00 C ATOM 779 C THR A 405 -12.526 3.934 -1.415 1.00 0.00 C ATOM 780 O THR A 405 -12.356 3.776 -0.208 1.00 0.00 O ATOM 781 CB THR A 405 -14.932 3.979 -2.090 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.424 4.000 -0.744 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.984 3.377 -3.014 1.00 0.00 C ATOM 0 H THR A 405 -14.527 1.731 -0.940 1.00 0.00 H new ATOM 0 HA THR A 405 -13.315 3.073 -3.202 1.00 0.00 H new ATOM 0 HB THR A 405 -14.727 4.999 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.258 4.514 -0.708 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.903 3.960 -2.948 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.618 3.392 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.185 2.348 -2.715 1.00 0.00 H new ATOM 791 N LEU A 406 -11.791 4.765 -2.152 1.00 0.00 N ATOM 792 CA LEU A 406 -10.716 5.562 -1.577 1.00 0.00 C ATOM 793 C LEU A 406 -11.279 6.591 -0.609 1.00 0.00 C ATOM 794 O LEU A 406 -12.354 7.150 -0.831 1.00 0.00 O ATOM 795 CB LEU A 406 -9.919 6.248 -2.688 1.00 0.00 C ATOM 796 CG LEU A 406 -8.592 6.902 -2.277 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.823 8.205 -1.530 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.756 5.947 -1.444 1.00 0.00 C ATOM 0 H LEU A 406 -11.924 4.902 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.046 4.903 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.710 5.510 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.551 7.013 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.042 7.135 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.863 8.641 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.367 8.900 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.405 8.010 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.821 6.432 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.306 5.672 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.540 5.050 -2.025 1.00 0.00 H new ATOM 810 N ASP A 407 -10.541 6.836 0.460 1.00 0.00 N ATOM 811 CA ASP A 407 -10.949 7.802 1.473 1.00 0.00 C ATOM 812 C ASP A 407 -9.897 8.896 1.615 1.00 0.00 C ATOM 813 O ASP A 407 -8.706 8.608 1.716 1.00 0.00 O ATOM 814 CB ASP A 407 -11.166 7.096 2.817 1.00 0.00 C ATOM 815 CG ASP A 407 -11.614 8.046 3.915 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.860 9.233 3.616 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.728 7.596 5.075 1.00 0.00 O ATOM 0 H ASP A 407 -9.650 6.378 0.652 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.887 8.261 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.913 6.312 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.239 6.609 3.120 1.00 0.00 H new ATOM 822 N LYS A 408 -10.340 10.150 1.620 1.00 0.00 N ATOM 823 CA LYS A 408 -9.423 11.277 1.749 1.00 0.00 C ATOM 824 C LYS A 408 -8.709 11.244 3.096 1.00 0.00 C ATOM 825 O LYS A 408 -7.493 11.408 3.164 1.00 0.00 O ATOM 826 CB LYS A 408 -10.163 12.610 1.589 1.00 0.00 C ATOM 827 CG LYS A 408 -10.648 12.889 0.172 1.00 0.00 C ATOM 828 CD LYS A 408 -11.759 11.940 -0.252 1.00 0.00 C ATOM 829 CE LYS A 408 -13.008 12.127 0.595 1.00 0.00 C ATOM 830 NZ LYS A 408 -14.103 11.207 0.180 1.00 0.00 N ATOM 0 H LYS A 408 -11.323 10.410 1.537 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.682 11.190 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.020 12.620 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.503 13.419 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.006 13.917 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -9.811 12.799 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.002 12.108 -1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.411 10.910 -0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.765 11.953 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.350 13.159 0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -14.936 11.366 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -14.353 11.390 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -13.786 10.222 0.281 1.00 0.00 H new ATOM 844 N GLU A 409 -9.473 11.027 4.163 1.00 0.00 N ATOM 845 CA GLU A 409 -8.913 10.969 5.507 1.00 0.00 C ATOM 846 C GLU A 409 -7.809 9.921 5.592 1.00 0.00 C ATOM 847 O GLU A 409 -6.718 10.190 6.098 1.00 0.00 O ATOM 848 CB GLU A 409 -10.016 10.649 6.517 1.00 0.00 C ATOM 849 CG GLU A 409 -9.516 10.528 7.945 1.00 0.00 C ATOM 850 CD GLU A 409 -10.622 10.184 8.923 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.586 10.970 9.031 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.523 9.128 9.584 1.00 0.00 O ATOM 0 H GLU A 409 -10.483 10.888 4.121 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.480 11.942 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.776 11.429 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.500 9.716 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.743 9.761 7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.051 11.467 8.244 1.00 0.00 H new ATOM 859 N GLU A 410 -8.099 8.728 5.085 1.00 0.00 N ATOM 860 CA GLU A 410 -7.132 7.636 5.094 1.00 0.00 C ATOM 861 C GLU A 410 -5.937 7.972 4.212 1.00 0.00 C ATOM 862 O GLU A 410 -4.790 7.726 4.582 1.00 0.00 O ATOM 863 CB GLU A 410 -7.787 6.340 4.614 1.00 0.00 C ATOM 864 CG GLU A 410 -8.962 5.891 5.470 1.00 0.00 C ATOM 865 CD GLU A 410 -8.562 5.558 6.896 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.082 6.465 7.607 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.730 4.389 7.301 1.00 0.00 O ATOM 0 H GLU A 410 -8.997 8.492 4.662 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.783 7.497 6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.128 6.475 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.037 5.549 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.716 6.678 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.424 5.015 5.014 1.00 0.00 H new ATOM 874 N ALA A 411 -6.218 8.540 3.043 1.00 0.00 N ATOM 875 CA ALA A 411 -5.173 8.920 2.101 1.00 0.00 C ATOM 876 C ALA A 411 -4.176 9.871 2.750 1.00 0.00 C ATOM 877 O ALA A 411 -2.969 9.758 2.542 1.00 0.00 O ATOM 878 CB ALA A 411 -5.788 9.563 0.867 1.00 0.00 C ATOM 0 H ALA A 411 -7.165 8.747 2.726 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.638 8.019 1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.998 9.843 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.462 8.855 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.345 10.453 1.160 1.00 0.00 H new ATOM 884 N LYS A 412 -4.695 10.806 3.535 1.00 0.00 N ATOM 885 CA LYS A 412 -3.862 11.782 4.223 1.00 0.00 C ATOM 886 C LYS A 412 -2.939 11.097 5.225 1.00 0.00 C ATOM 887 O LYS A 412 -1.761 11.436 5.332 1.00 0.00 O ATOM 888 CB LYS A 412 -4.748 12.803 4.938 1.00 0.00 C ATOM 889 CG LYS A 412 -5.654 13.581 3.996 1.00 0.00 C ATOM 890 CD LYS A 412 -6.666 14.421 4.757 1.00 0.00 C ATOM 891 CE LYS A 412 -5.989 15.488 5.605 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.165 16.412 4.776 1.00 0.00 N ATOM 0 H LYS A 412 -5.694 10.909 3.711 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.244 12.293 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.361 12.287 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.115 13.504 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.049 14.227 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.178 12.887 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.348 14.896 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.267 13.775 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.746 16.059 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.357 15.011 6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.915 17.252 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.296 15.926 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.707 16.704 3.938 1.00 0.00 H new ATOM 906 N LYS A 413 -3.488 10.134 5.959 1.00 0.00 N ATOM 907 CA LYS A 413 -2.720 9.397 6.958 1.00 0.00 C ATOM 908 C LYS A 413 -1.594 8.604 6.305 1.00 0.00 C ATOM 909 O LYS A 413 -0.448 8.647 6.756 1.00 0.00 O ATOM 910 CB LYS A 413 -3.637 8.445 7.729 1.00 0.00 C ATOM 911 CG LYS A 413 -4.834 9.130 8.369 1.00 0.00 C ATOM 912 CD LYS A 413 -4.410 10.158 9.407 1.00 0.00 C ATOM 913 CE LYS A 413 -5.616 10.832 10.044 1.00 0.00 C ATOM 914 NZ LYS A 413 -6.495 9.854 10.744 1.00 0.00 N ATOM 0 H LYS A 413 -4.463 9.845 5.881 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.282 10.119 7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -3.994 7.670 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.057 7.947 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -5.429 9.618 7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.473 8.382 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -3.812 9.673 10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -3.776 10.911 8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.277 11.587 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -6.190 11.350 9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -7.152 10.363 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -7.036 9.310 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -5.911 9.205 11.310 1.00 0.00 H new ATOM 928 N VAL A 414 -1.928 7.880 5.242 1.00 0.00 N ATOM 929 CA VAL A 414 -0.948 7.073 4.526 1.00 0.00 C ATOM 930 C VAL A 414 0.134 7.949 3.903 1.00 0.00 C ATOM 931 O VAL A 414 1.324 7.660 4.020 1.00 0.00 O ATOM 932 CB VAL A 414 -1.615 6.233 3.419 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.588 5.364 2.710 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.738 5.383 3.997 1.00 0.00 C ATOM 0 H VAL A 414 -2.872 7.836 4.857 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.493 6.403 5.256 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.046 6.913 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.080 4.780 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.176 5.998 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.122 4.691 3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.197 4.797 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.333 4.712 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.489 6.031 4.450 1.00 0.00 H new ATOM 944 N ALA A 415 -0.291 9.020 3.240 1.00 0.00 N ATOM 945 CA ALA A 415 0.637 9.943 2.598 1.00 0.00 C ATOM 946 C ALA A 415 1.573 10.580 3.617 1.00 0.00 C ATOM 947 O ALA A 415 2.765 10.751 3.358 1.00 0.00 O ATOM 948 CB ALA A 415 -0.127 11.016 1.837 1.00 0.00 C ATOM 0 H ALA A 415 -1.274 9.270 3.134 1.00 0.00 H new ATOM 0 HA ALA A 415 1.244 9.375 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.579 11.698 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.748 10.548 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.760 11.572 2.529 1.00 0.00 H new ATOM 954 N ASP A 416 1.027 10.931 4.777 1.00 0.00 N ATOM 955 CA ASP A 416 1.818 11.552 5.834 1.00 0.00 C ATOM 956 C ASP A 416 2.875 10.596 6.352 1.00 0.00 C ATOM 957 O ASP A 416 4.074 10.846 6.233 1.00 0.00 O ATOM 958 CB ASP A 416 0.914 12.004 6.982 1.00 0.00 C ATOM 959 CG ASP A 416 1.687 12.693 8.089 1.00 0.00 C ATOM 960 OD1 ASP A 416 2.322 13.731 7.812 1.00 0.00 O ATOM 961 OD2 ASP A 416 1.657 12.193 9.232 1.00 0.00 O ATOM 0 H ASP A 416 0.043 10.797 5.009 1.00 0.00 H new ATOM 0 HA ASP A 416 2.318 12.424 5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.154 12.683 6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.391 11.140 7.391 1.00 0.00 H new ATOM 966 N GLU A 417 2.397 9.510 6.925 1.00 0.00 N ATOM 967 CA GLU A 417 3.248 8.463 7.490 1.00 0.00 C ATOM 968 C GLU A 417 4.395 9.067 8.289 1.00 0.00 C ATOM 969 O GLU A 417 5.525 8.577 8.253 1.00 0.00 O ATOM 970 CB GLU A 417 3.780 7.527 6.394 1.00 0.00 C ATOM 971 CG GLU A 417 4.688 8.199 5.377 1.00 0.00 C ATOM 972 CD GLU A 417 5.203 7.232 4.329 1.00 0.00 C ATOM 973 OE1 GLU A 417 5.875 6.249 4.707 1.00 0.00 O ATOM 974 OE2 GLU A 417 4.936 7.457 3.130 1.00 0.00 O ATOM 0 H GLU A 417 1.399 9.320 7.016 1.00 0.00 H new ATOM 0 HA GLU A 417 2.637 7.869 8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 417 4.326 6.710 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 417 2.933 7.084 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 417 4.144 9.006 4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 417 5.533 8.653 5.894 1.00 0.00 H new ATOM 981 N THR A 418 4.085 10.131 9.021 1.00 0.00 N ATOM 982 CA THR A 418 5.068 10.817 9.847 1.00 0.00 C ATOM 983 C THR A 418 4.398 11.416 11.076 1.00 0.00 C ATOM 984 O THR A 418 4.879 12.398 11.644 1.00 0.00 O ATOM 985 CB THR A 418 5.781 11.942 9.070 1.00 0.00 C ATOM 986 OG1 THR A 418 4.822 12.897 8.600 1.00 0.00 O ATOM 987 CG2 THR A 418 6.564 11.383 7.892 1.00 0.00 C ATOM 0 H THR A 418 3.151 10.539 9.058 1.00 0.00 H new ATOM 0 HA THR A 418 5.810 10.077 10.147 1.00 0.00 H new ATOM 0 HB THR A 418 6.480 12.430 9.749 1.00 0.00 H new ATOM 0 HG1 THR A 418 4.361 12.537 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 418 7.056 12.199 7.362 1.00 0.00 H new ATOM 0 HG22 THR A 418 7.314 10.680 8.254 1.00 0.00 H new ATOM 0 HG23 THR A 418 5.883 10.869 7.214 1.00 0.00 H new ATOM 995 N ALA A 419 3.283 10.815 11.480 1.00 0.00 N ATOM 996 CA ALA A 419 2.541 11.288 12.644 1.00 0.00 C ATOM 997 C ALA A 419 1.615 10.205 13.189 1.00 0.00 C ATOM 998 O ALA A 419 1.492 10.037 14.402 1.00 0.00 O ATOM 999 CB ALA A 419 1.745 12.535 12.291 1.00 0.00 C ATOM 0 H ALA A 419 2.874 10.002 11.020 1.00 0.00 H new ATOM 0 HA ALA A 419 3.262 11.536 13.423 1.00 0.00 H new ATOM 0 HB1 ALA A 419 1.196 12.877 13.169 1.00 0.00 H new ATOM 0 HB2 ALA A 419 2.426 13.320 11.960 1.00 0.00 H new ATOM 0 HB3 ALA A 419 1.042 12.303 11.491 1.00 0.00 H new ATOM 1005 N LYS A 420 0.964 9.477 12.284 1.00 0.00 N ATOM 1006 CA LYS A 420 0.045 8.411 12.674 1.00 0.00 C ATOM 1007 C LYS A 420 -1.077 8.954 13.555 1.00 0.00 C ATOM 1008 O LYS A 420 -1.370 8.400 14.615 1.00 0.00 O ATOM 1009 CB LYS A 420 0.790 7.289 13.410 1.00 0.00 C ATOM 1010 CG LYS A 420 1.750 6.495 12.534 1.00 0.00 C ATOM 1011 CD LYS A 420 2.947 7.329 12.102 1.00 0.00 C ATOM 1012 CE LYS A 420 3.915 6.515 11.259 1.00 0.00 C ATOM 1013 NZ LYS A 420 5.107 7.310 10.857 1.00 0.00 N ATOM 0 H LYS A 420 1.056 9.606 11.276 1.00 0.00 H new ATOM 0 HA LYS A 420 -0.393 8.002 11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 420 1.348 7.723 14.240 1.00 0.00 H new ATOM 0 HB3 LYS A 420 0.059 6.605 13.841 1.00 0.00 H new ATOM 0 HG2 LYS A 420 2.097 5.617 13.079 1.00 0.00 H new ATOM 0 HG3 LYS A 420 1.222 6.134 11.652 1.00 0.00 H new ATOM 0 HD2 LYS A 420 2.604 8.193 11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 420 3.462 7.712 12.983 1.00 0.00 H new ATOM 0 HE2 LYS A 420 4.237 5.638 11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 420 3.403 6.152 10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 5.267 7.203 9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 4.946 8.313 11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 5.942 6.970 11.376 1.00 0.00 H new ATOM 1027 N ASP A 421 -1.701 10.040 13.108 1.00 0.00 N ATOM 1028 CA ASP A 421 -2.792 10.657 13.855 1.00 0.00 C ATOM 1029 C ASP A 421 -3.912 9.655 14.112 1.00 0.00 C ATOM 1030 O ASP A 421 -4.330 8.932 13.207 1.00 0.00 O ATOM 1031 CB ASP A 421 -3.340 11.869 13.099 1.00 0.00 C ATOM 1032 CG ASP A 421 -2.305 12.964 12.929 1.00 0.00 C ATOM 1033 OD1 ASP A 421 -1.164 12.785 13.406 1.00 0.00 O ATOM 1034 OD2 ASP A 421 -2.636 14.004 12.321 1.00 0.00 O ATOM 0 H ASP A 421 -1.470 10.510 12.233 1.00 0.00 H new ATOM 0 HA ASP A 421 -2.396 10.987 14.815 1.00 0.00 H new ATOM 0 HB2 ASP A 421 -3.693 11.552 12.118 1.00 0.00 H new ATOM 0 HB3 ASP A 421 -4.202 12.268 13.634 1.00 0.00 H new ATOM 1039 N GLY A 422 -4.393 9.618 15.350 1.00 0.00 N ATOM 1040 CA GLY A 422 -5.457 8.699 15.704 1.00 0.00 C ATOM 1041 C GLY A 422 -5.909 8.859 17.142 1.00 0.00 C ATOM 1042 O GLY A 422 -5.086 8.986 18.049 1.00 0.00 O ATOM 0 H GLY A 422 -4.065 10.208 16.114 1.00 0.00 H new ATOM 0 HA2 GLY A 422 -6.306 8.859 15.040 1.00 0.00 H new ATOM 0 HA3 GLY A 422 -5.116 7.676 15.545 1.00 0.00 H new ATOM 1046 N LYS A 423 -7.222 8.849 17.348 1.00 0.00 N ATOM 1047 CA LYS A 423 -7.796 8.991 18.681 1.00 0.00 C ATOM 1048 C LYS A 423 -9.295 8.717 18.648 1.00 0.00 C ATOM 1049 O LYS A 423 -9.837 8.063 19.539 1.00 0.00 O ATOM 1050 CB LYS A 423 -7.531 10.393 19.236 1.00 0.00 C ATOM 1051 CG LYS A 423 -8.055 10.599 20.650 1.00 0.00 C ATOM 1052 CD LYS A 423 -7.700 11.975 21.200 1.00 0.00 C ATOM 1053 CE LYS A 423 -8.468 13.090 20.502 1.00 0.00 C ATOM 1054 NZ LYS A 423 -8.064 13.250 19.077 1.00 0.00 N ATOM 0 H LYS A 423 -7.912 8.743 16.604 1.00 0.00 H new ATOM 0 HA LYS A 423 -7.320 8.261 19.336 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -6.458 10.582 19.224 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -7.991 11.129 18.576 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -9.138 10.475 20.656 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -7.643 9.831 21.304 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -7.913 12.003 22.269 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -6.630 12.146 21.084 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -9.536 12.879 20.553 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -8.303 14.028 21.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -8.101 14.256 18.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -7.095 12.895 18.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -8.713 12.711 18.469 1.00 0.00 H new ATOM 1068 N THR A 424 -9.959 9.217 17.610 1.00 0.00 N ATOM 1069 CA THR A 424 -11.396 9.022 17.455 1.00 0.00 C ATOM 1070 C THR A 424 -11.734 7.536 17.360 1.00 0.00 C ATOM 1071 O THR A 424 -11.112 6.799 16.595 1.00 0.00 O ATOM 1072 CB THR A 424 -11.927 9.741 16.201 1.00 0.00 C ATOM 1073 OG1 THR A 424 -11.639 11.142 16.283 1.00 0.00 O ATOM 1074 CG2 THR A 424 -13.427 9.537 16.046 1.00 0.00 C ATOM 0 H THR A 424 -9.524 9.760 16.864 1.00 0.00 H new ATOM 0 HA THR A 424 -11.875 9.448 18.336 1.00 0.00 H new ATOM 0 HB THR A 424 -11.429 9.314 15.330 1.00 0.00 H new ATOM 0 HG1 THR A 424 -11.978 11.593 15.482 1.00 0.00 H new ATOM 0 HG21 THR A 424 -13.774 10.056 15.152 1.00 0.00 H new ATOM 0 HG22 THR A 424 -13.642 8.472 15.954 1.00 0.00 H new ATOM 0 HG23 THR A 424 -13.941 9.937 16.920 1.00 0.00 H new ATOM 1082 N GLY A 425 -12.719 7.106 18.141 1.00 0.00 N ATOM 1083 CA GLY A 425 -13.118 5.711 18.131 1.00 0.00 C ATOM 1084 C GLY A 425 -11.986 4.783 18.530 1.00 0.00 C ATOM 1085 O GLY A 425 -11.236 5.073 19.463 1.00 0.00 O ATOM 0 H GLY A 425 -13.248 7.699 18.781 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -13.957 5.571 18.813 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -13.469 5.444 17.134 1.00 0.00 H new ATOM 1089 N ASN A 426 -11.863 3.665 17.822 1.00 0.00 N ATOM 1090 CA ASN A 426 -10.817 2.690 18.105 1.00 0.00 C ATOM 1091 C ASN A 426 -9.439 3.245 17.752 1.00 0.00 C ATOM 1092 O ASN A 426 -9.249 3.828 16.685 1.00 0.00 O ATOM 1093 CB ASN A 426 -11.073 1.397 17.329 1.00 0.00 C ATOM 1094 CG ASN A 426 -12.404 0.764 17.685 1.00 0.00 C ATOM 1095 OD1 ASN A 426 -13.461 1.363 17.491 1.00 0.00 O ATOM 1096 ND2 ASN A 426 -12.356 -0.454 18.210 1.00 0.00 N ATOM 0 H ASN A 426 -12.476 3.412 17.047 1.00 0.00 H new ATOM 0 HA ASN A 426 -10.837 2.476 19.174 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -11.048 1.607 16.260 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -10.270 0.689 17.534 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -13.219 -0.931 18.471 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -11.456 -0.913 18.353 1.00 0.00 H new ATOM 1103 N THR A 427 -8.481 3.053 18.654 1.00 0.00 N ATOM 1104 CA THR A 427 -7.120 3.529 18.437 1.00 0.00 C ATOM 1105 C THR A 427 -6.483 2.837 17.235 1.00 0.00 C ATOM 1106 O THR A 427 -5.916 3.490 16.360 1.00 0.00 O ATOM 1107 CB THR A 427 -6.240 3.295 19.680 1.00 0.00 C ATOM 1108 OG1 THR A 427 -6.800 3.974 20.810 1.00 0.00 O ATOM 1109 CG2 THR A 427 -4.819 3.787 19.444 1.00 0.00 C ATOM 0 H THR A 427 -8.623 2.571 19.542 1.00 0.00 H new ATOM 0 HA THR A 427 -7.183 4.600 18.244 1.00 0.00 H new ATOM 0 HB THR A 427 -6.208 2.223 19.875 1.00 0.00 H new ATOM 0 HG1 THR A 427 -6.236 3.819 21.597 1.00 0.00 H new ATOM 0 HG21 THR A 427 -4.220 3.610 20.337 1.00 0.00 H new ATOM 0 HG22 THR A 427 -4.383 3.250 18.602 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.835 4.854 19.224 1.00 0.00 H new ATOM 1117 N ASN A 428 -6.594 1.510 17.198 1.00 0.00 N ATOM 1118 CA ASN A 428 -6.042 0.716 16.108 1.00 0.00 C ATOM 1119 C ASN A 428 -6.339 -0.757 16.341 1.00 0.00 C ATOM 1120 O ASN A 428 -6.894 -1.439 15.480 1.00 0.00 O ATOM 1121 CB ASN A 428 -4.531 0.933 15.984 1.00 0.00 C ATOM 1122 CG ASN A 428 -3.927 0.146 14.837 1.00 0.00 C ATOM 1123 OD1 ASN A 428 -4.299 0.332 13.677 1.00 0.00 O ATOM 1124 ND2 ASN A 428 -2.987 -0.738 15.153 1.00 0.00 N ATOM 0 H ASN A 428 -7.065 0.961 17.917 1.00 0.00 H new ATOM 0 HA ASN A 428 -6.510 1.036 15.177 1.00 0.00 H new ATOM 0 HB2 ASN A 428 -4.330 1.994 15.839 1.00 0.00 H new ATOM 0 HB3 ASN A 428 -4.047 0.641 16.916 1.00 0.00 H new ATOM 0 HD21 ASN A 428 -2.544 -1.294 14.422 1.00 0.00 H new ATOM 0 HD22 ASN A 428 -2.709 -0.860 16.127 1.00 0.00 H new ATOM 1131 N THR A 429 -5.984 -1.231 17.529 1.00 0.00 N ATOM 1132 CA THR A 429 -6.228 -2.612 17.908 1.00 0.00 C ATOM 1133 C THR A 429 -7.728 -2.847 18.047 1.00 0.00 C ATOM 1134 O THR A 429 -8.502 -1.891 18.109 1.00 0.00 O ATOM 1135 CB THR A 429 -5.525 -2.953 19.238 1.00 0.00 C ATOM 1136 OG1 THR A 429 -4.138 -2.608 19.156 1.00 0.00 O ATOM 1137 CG2 THR A 429 -5.657 -4.433 19.569 1.00 0.00 C ATOM 0 H THR A 429 -5.524 -0.673 18.248 1.00 0.00 H new ATOM 0 HA THR A 429 -5.823 -3.259 17.130 1.00 0.00 H new ATOM 0 HB THR A 429 -6.006 -2.378 20.029 1.00 0.00 H new ATOM 0 HG1 THR A 429 -3.696 -2.825 20.004 1.00 0.00 H new ATOM 0 HG21 THR A 429 -5.151 -4.641 20.512 1.00 0.00 H new ATOM 0 HG22 THR A 429 -6.712 -4.693 19.658 1.00 0.00 H new ATOM 0 HG23 THR A 429 -5.203 -5.025 18.775 1.00 0.00 H new ATOM 1145 N THR A 430 -8.140 -4.109 18.084 1.00 0.00 N ATOM 1146 CA THR A 430 -9.553 -4.446 18.213 1.00 0.00 C ATOM 1147 C THR A 430 -10.061 -4.193 19.634 1.00 0.00 C ATOM 1148 O THR A 430 -10.778 -5.020 20.200 1.00 0.00 O ATOM 1149 CB THR A 430 -9.817 -5.917 17.840 1.00 0.00 C ATOM 1150 OG1 THR A 430 -9.073 -6.784 18.704 1.00 0.00 O ATOM 1151 CG2 THR A 430 -9.434 -6.187 16.392 1.00 0.00 C ATOM 0 H THR A 430 -7.517 -4.915 18.027 1.00 0.00 H new ATOM 0 HA THR A 430 -10.092 -3.799 17.521 1.00 0.00 H new ATOM 0 HB THR A 430 -10.883 -6.112 17.960 1.00 0.00 H new ATOM 0 HG1 THR A 430 -9.248 -7.717 18.461 1.00 0.00 H new ATOM 0 HG21 THR A 430 -9.630 -7.232 16.153 1.00 0.00 H new ATOM 0 HG22 THR A 430 -10.023 -5.548 15.735 1.00 0.00 H new ATOM 0 HG23 THR A 430 -8.374 -5.975 16.250 1.00 0.00 H new ATOM 1159 N GLY A 431 -9.692 -3.044 20.207 1.00 0.00 N ATOM 1160 CA GLY A 431 -10.128 -2.713 21.552 1.00 0.00 C ATOM 1161 C GLY A 431 -9.698 -3.746 22.576 1.00 0.00 C ATOM 1162 O GLY A 431 -10.511 -4.211 23.375 1.00 0.00 O ATOM 0 H GLY A 431 -9.101 -2.341 19.763 1.00 0.00 H new ATOM 0 HA2 GLY A 431 -9.724 -1.740 21.832 1.00 0.00 H new ATOM 0 HA3 GLY A 431 -11.214 -2.623 21.566 1.00 0.00 H new ATOM 1166 N SER A 432 -8.418 -4.107 22.547 1.00 0.00 N ATOM 1167 CA SER A 432 -7.873 -5.094 23.476 1.00 0.00 C ATOM 1168 C SER A 432 -7.684 -4.498 24.870 1.00 0.00 C ATOM 1169 O SER A 432 -6.559 -4.386 25.359 1.00 0.00 O ATOM 1170 CB SER A 432 -6.539 -5.630 22.953 1.00 0.00 C ATOM 1171 OG SER A 432 -5.582 -4.593 22.836 1.00 0.00 O ATOM 0 H SER A 432 -7.737 -3.730 21.888 1.00 0.00 H new ATOM 0 HA SER A 432 -8.587 -5.914 23.551 1.00 0.00 H new ATOM 0 HB2 SER A 432 -6.164 -6.400 23.627 1.00 0.00 H new ATOM 0 HB3 SER A 432 -6.689 -6.102 21.982 1.00 0.00 H new ATOM 0 HG SER A 432 -5.513 -4.114 23.688 1.00 0.00 H new ATOM 1177 N SER A 433 -8.789 -4.120 25.507 1.00 0.00 N ATOM 1178 CA SER A 433 -8.740 -3.540 26.845 1.00 0.00 C ATOM 1179 C SER A 433 -8.193 -4.545 27.855 1.00 0.00 C ATOM 1180 O SER A 433 -7.042 -4.365 28.301 1.00 0.00 O ATOM 1181 CB SER A 433 -10.135 -3.077 27.271 1.00 0.00 C ATOM 1182 OG SER A 433 -10.638 -2.093 26.385 1.00 0.00 O ATOM 1183 OXT SER A 433 -8.922 -5.501 28.190 1.00 0.00 O ATOM 0 H SER A 433 -9.728 -4.205 25.118 1.00 0.00 H new ATOM 0 HA SER A 433 -8.070 -2.680 26.819 1.00 0.00 H new ATOM 0 HB2 SER A 433 -10.813 -3.930 27.295 1.00 0.00 H new ATOM 0 HB3 SER A 433 -10.094 -2.673 28.283 1.00 0.00 H new ATOM 0 HG SER A 433 -11.531 -1.815 26.678 1.00 0.00 H new TER 1189 SER A 433