USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 429 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 430 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 396 HIS : no HD1:sc= 0 X(o=0.2,f=0.16) USER MOD Set 2.2: A 405 THR OG1 : rot 29:sc= 0.199 USER MOD Set 3.1: A 373 GLN :FLIP amide:sc= -1.15 F(o=-2.4,f=-1.2) USER MOD Set 3.2: A 391 SER OG : rot 151:sc=-0.00414 USER MOD Set 4.1: A 377 THR OG1 : rot -20:sc= 0.227 USER MOD Set 4.2: A 380 SER OG : rot -23:sc= 0.754 USER MOD Set 5.1: A 370 SER OG : rot 180:sc= -0.0166 USER MOD Set 5.2: A 371 GLN : amide:sc= -0.0816 X(o=-0.098,f=-0.098) USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc=-0.00601 X(o=-0.006,f=-0.006) USER MOD Single : A 357 MET CE :methyl -161:sc= -0.166 (180deg=-0.664) USER MOD Single : A 362 THR OG1 : rot -15:sc= 0.582 USER MOD Single : A 363 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 364 LYS NZ :NH3+ 168:sc= -0.0166 (180deg=-0.193) USER MOD Single : A 365 HIS : no HD1:sc= 0.199 K(o=0.2,f=-2.9!) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 382 ASN :FLIP amide:sc= -0.829 F(o=-3.9!,f=-0.83) USER MOD Single : A 383 LYS NZ :NH3+ -168:sc= -0.0301 (180deg=-0.202) USER MOD Single : A 384 LYS NZ :NH3+ -128:sc=-0.00246 (180deg=-1.7!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 390 LYS NZ :NH3+ -168:sc= -0.0191 (180deg=-0.198) USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= -1.53 K(o=-1.5,f=-4.7!) USER MOD Single : A 401 ASN :FLIP amide:sc= -1.33 F(o=-5.8!,f=-1.3) USER MOD Single : A 402 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.34!) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 143:sc= -3.37! (180deg=-5.85!) USER MOD Single : A 413 LYS NZ :NH3+ -167:sc= -0.0335 (180deg=-0.237) USER MOD Single : A 418 THR OG1 : rot -57:sc= 1.08 USER MOD Single : A 420 LYS NZ :NH3+ -166:sc= -0.0496 (180deg=-0.264) USER MOD Single : A 423 LYS NZ :NH3+ 167:sc= -0.0413 (180deg=-0.257) USER MOD Single : A 424 THR OG1 : rot 180:sc= -0.0615 USER MOD Single : A 426 ASN :FLIP amide:sc= -0.974 F(o=-3!,f=-0.97) 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 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot -30:sc= 0.315 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 18.763 -28.464 2.252 1.00 0.00 N ATOM 2 CA GLY A 354 17.818 -29.269 3.074 1.00 0.00 C ATOM 3 C GLY A 354 16.451 -28.624 3.184 1.00 0.00 C ATOM 4 O GLY A 354 16.346 -27.415 3.397 1.00 0.00 O ATOM 0 HA2 GLY A 354 17.714 -30.261 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 354 18.234 -29.404 4.072 1.00 0.00 H new ATOM 10 N SER A 355 15.405 -29.435 3.035 1.00 0.00 N ATOM 11 CA SER A 355 14.028 -28.950 3.113 1.00 0.00 C ATOM 12 C SER A 355 13.716 -27.997 1.963 1.00 0.00 C ATOM 13 O SER A 355 14.492 -27.089 1.664 1.00 0.00 O ATOM 14 CB SER A 355 13.776 -28.255 4.453 1.00 0.00 C ATOM 15 OG SER A 355 13.975 -29.147 5.535 1.00 0.00 O ATOM 0 H SER A 355 15.486 -30.436 2.859 1.00 0.00 H new ATOM 0 HA SER A 355 13.367 -29.813 3.034 1.00 0.00 H new ATOM 0 HB2 SER A 355 14.445 -27.400 4.554 1.00 0.00 H new ATOM 0 HB3 SER A 355 12.758 -27.868 4.479 1.00 0.00 H new ATOM 0 HG SER A 355 13.810 -28.679 6.380 1.00 0.00 H new ATOM 21 N HIS A 356 12.573 -28.214 1.321 1.00 0.00 N ATOM 22 CA HIS A 356 12.150 -27.381 0.201 1.00 0.00 C ATOM 23 C HIS A 356 11.934 -25.937 0.644 1.00 0.00 C ATOM 24 O HIS A 356 11.392 -25.683 1.719 1.00 0.00 O ATOM 25 CB HIS A 356 10.863 -27.934 -0.413 1.00 0.00 C ATOM 26 CG HIS A 356 10.985 -29.348 -0.892 1.00 0.00 C ATOM 27 ND1 HIS A 356 11.875 -29.740 -1.871 1.00 0.00 N ATOM 28 CD2 HIS A 356 10.321 -30.469 -0.520 1.00 0.00 C ATOM 29 CE1 HIS A 356 11.751 -31.039 -2.082 1.00 0.00 C ATOM 30 NE2 HIS A 356 10.816 -31.505 -1.274 1.00 0.00 N ATOM 0 H HIS A 356 11.921 -28.962 1.558 1.00 0.00 H new ATOM 0 HA HIS A 356 12.941 -27.397 -0.549 1.00 0.00 H new ATOM 0 HB2 HIS A 356 10.064 -27.878 0.327 1.00 0.00 H new ATOM 0 HB3 HIS A 356 10.568 -27.300 -1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 356 9.547 -30.536 0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 356 12.318 -31.620 -2.794 1.00 0.00 H new ATOM 0 HE2 HIS A 356 10.511 -32.477 -1.219 1.00 0.00 H new ATOM 39 N MET A 357 12.359 -24.996 -0.194 1.00 0.00 N ATOM 40 CA MET A 357 12.212 -23.574 0.104 1.00 0.00 C ATOM 41 C MET A 357 10.742 -23.205 0.297 1.00 0.00 C ATOM 42 O MET A 357 9.868 -23.723 -0.399 1.00 0.00 O ATOM 43 CB MET A 357 12.817 -22.734 -1.023 1.00 0.00 C ATOM 44 CG MET A 357 12.173 -22.979 -2.379 1.00 0.00 C ATOM 45 SD MET A 357 12.941 -22.020 -3.699 1.00 0.00 S ATOM 46 CE MET A 357 12.645 -20.348 -3.126 1.00 0.00 C ATOM 0 H MET A 357 12.809 -25.193 -1.088 1.00 0.00 H new ATOM 0 HA MET A 357 12.743 -23.365 1.032 1.00 0.00 H new ATOM 0 HB2 MET A 357 12.720 -21.678 -0.770 1.00 0.00 H new ATOM 0 HB3 MET A 357 13.883 -22.949 -1.093 1.00 0.00 H new ATOM 0 HG2 MET A 357 12.238 -24.040 -2.621 1.00 0.00 H new ATOM 0 HG3 MET A 357 11.113 -22.729 -2.324 1.00 0.00 H new ATOM 0 HE1 MET A 357 12.747 -19.654 -3.960 1.00 0.00 H new ATOM 0 HE2 MET A 357 11.638 -20.277 -2.716 1.00 0.00 H new ATOM 0 HE3 MET A 357 13.370 -20.095 -2.353 1.00 0.00 H new ATOM 56 N LEU A 358 10.476 -22.306 1.243 1.00 0.00 N ATOM 57 CA LEU A 358 9.110 -21.870 1.522 1.00 0.00 C ATOM 58 C LEU A 358 9.103 -20.600 2.372 1.00 0.00 C ATOM 59 O LEU A 358 8.313 -20.467 3.308 1.00 0.00 O ATOM 60 CB LEU A 358 8.318 -22.983 2.227 1.00 0.00 C ATOM 61 CG LEU A 358 8.742 -23.299 3.667 1.00 0.00 C ATOM 62 CD1 LEU A 358 7.795 -24.316 4.285 1.00 0.00 C ATOM 63 CD2 LEU A 358 10.173 -23.813 3.714 1.00 0.00 C ATOM 0 H LEU A 358 11.187 -21.866 1.828 1.00 0.00 H new ATOM 0 HA LEU A 358 8.630 -21.649 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 358 7.264 -22.705 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 358 8.404 -23.894 1.635 1.00 0.00 H new ATOM 0 HG LEU A 358 8.694 -22.376 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 358 8.108 -24.531 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 358 6.782 -23.912 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 358 7.815 -25.235 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 358 10.448 -24.029 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 358 10.253 -24.723 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 358 10.845 -23.056 3.310 1.00 0.00 H new ATOM 75 N GLU A 359 9.987 -19.667 2.033 1.00 0.00 N ATOM 76 CA GLU A 359 10.089 -18.404 2.758 1.00 0.00 C ATOM 77 C GLU A 359 8.749 -17.673 2.780 1.00 0.00 C ATOM 78 O GLU A 359 8.031 -17.641 1.780 1.00 0.00 O ATOM 79 CB GLU A 359 11.160 -17.508 2.126 1.00 0.00 C ATOM 80 CG GLU A 359 10.843 -17.074 0.701 1.00 0.00 C ATOM 81 CD GLU A 359 10.797 -18.234 -0.275 1.00 0.00 C ATOM 82 OE1 GLU A 359 11.823 -18.932 -0.417 1.00 0.00 O ATOM 83 OE2 GLU A 359 9.735 -18.444 -0.897 1.00 0.00 O ATOM 0 H GLU A 359 10.645 -19.762 1.259 1.00 0.00 H new ATOM 0 HA GLU A 359 10.375 -18.632 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 359 11.288 -16.620 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 359 12.112 -18.039 2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 359 9.883 -16.558 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 359 11.594 -16.357 0.370 1.00 0.00 H new ATOM 90 N VAL A 360 8.418 -17.087 3.927 1.00 0.00 N ATOM 91 CA VAL A 360 7.165 -16.356 4.078 1.00 0.00 C ATOM 92 C VAL A 360 7.102 -15.177 3.112 1.00 0.00 C ATOM 93 O VAL A 360 8.047 -14.395 3.013 1.00 0.00 O ATOM 94 CB VAL A 360 6.986 -15.834 5.517 1.00 0.00 C ATOM 95 CG1 VAL A 360 5.657 -15.107 5.663 1.00 0.00 C ATOM 96 CG2 VAL A 360 7.088 -16.977 6.516 1.00 0.00 C ATOM 0 H VAL A 360 9.000 -17.104 4.765 1.00 0.00 H new ATOM 0 HA VAL A 360 6.360 -17.056 3.852 1.00 0.00 H new ATOM 0 HB VAL A 360 7.786 -15.124 5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 360 5.550 -14.746 6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 360 5.627 -14.262 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 360 4.841 -15.791 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 360 6.959 -16.590 7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 360 6.311 -17.713 6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 360 8.067 -17.449 6.430 1.00 0.00 H new ATOM 106 N LEU A 361 5.979 -15.059 2.407 1.00 0.00 N ATOM 107 CA LEU A 361 5.775 -13.978 1.445 1.00 0.00 C ATOM 108 C LEU A 361 6.836 -14.010 0.343 1.00 0.00 C ATOM 109 O LEU A 361 6.601 -14.562 -0.732 1.00 0.00 O ATOM 110 CB LEU A 361 5.778 -12.621 2.161 1.00 0.00 C ATOM 111 CG LEU A 361 5.634 -11.399 1.250 1.00 0.00 C ATOM 112 CD1 LEU A 361 4.283 -11.408 0.549 1.00 0.00 C ATOM 113 CD2 LEU A 361 5.816 -10.118 2.051 1.00 0.00 C ATOM 0 H LEU A 361 5.192 -15.703 2.485 1.00 0.00 H new ATOM 0 HA LEU A 361 4.803 -14.122 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 361 4.965 -12.610 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.708 -12.527 2.722 1.00 0.00 H new ATOM 0 HG LEU A 361 6.412 -11.443 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 361 4.201 -10.531 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 361 4.193 -12.311 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 361 3.487 -11.388 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 361 5.711 -9.258 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 361 5.060 -10.068 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 361 6.808 -10.109 2.503 1.00 0.00 H new ATOM 125 N THR A 362 8.002 -13.425 0.615 1.00 0.00 N ATOM 126 CA THR A 362 9.093 -13.392 -0.355 1.00 0.00 C ATOM 127 C THR A 362 10.402 -12.998 0.321 1.00 0.00 C ATOM 128 O THR A 362 10.413 -12.164 1.227 1.00 0.00 O ATOM 129 CB THR A 362 8.806 -12.397 -1.501 1.00 0.00 C ATOM 130 OG1 THR A 362 7.584 -12.742 -2.163 1.00 0.00 O ATOM 131 CG2 THR A 362 9.944 -12.389 -2.512 1.00 0.00 C ATOM 0 H THR A 362 8.214 -12.967 1.501 1.00 0.00 H new ATOM 0 HA THR A 362 9.178 -14.396 -0.772 1.00 0.00 H new ATOM 0 HB THR A 362 8.715 -11.402 -1.066 1.00 0.00 H new ATOM 0 HG1 THR A 362 7.322 -13.652 -1.912 1.00 0.00 H new ATOM 0 HG21 THR A 362 9.718 -11.681 -3.309 1.00 0.00 H new ATOM 0 HG22 THR A 362 10.869 -12.094 -2.016 1.00 0.00 H new ATOM 0 HG23 THR A 362 10.061 -13.386 -2.936 1.00 0.00 H new ATOM 139 N GLN A 363 11.503 -13.601 -0.124 1.00 0.00 N ATOM 140 CA GLN A 363 12.817 -13.307 0.439 1.00 0.00 C ATOM 141 C GLN A 363 13.067 -11.803 0.462 1.00 0.00 C ATOM 142 O GLN A 363 12.764 -11.100 -0.502 1.00 0.00 O ATOM 143 CB GLN A 363 13.914 -14.008 -0.365 1.00 0.00 C ATOM 144 CG GLN A 363 13.800 -15.524 -0.359 1.00 0.00 C ATOM 145 CD GLN A 363 14.897 -16.209 -1.158 1.00 0.00 C ATOM 146 OE1 GLN A 363 15.792 -15.423 -1.751 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 14.940 -17.437 -1.241 1.00 0.00 N flip ATOM 0 H GLN A 363 11.510 -14.295 -0.872 1.00 0.00 H new ATOM 0 HA GLN A 363 12.839 -13.680 1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 363 13.880 -13.654 -1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 363 14.886 -13.724 0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 363 13.832 -15.880 0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 363 12.830 -15.811 -0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 363 14.235 -18.005 -0.771 1.00 0.00 H new ATOM 0 HE22 GLN A 363 15.681 -17.886 -1.779 1.00 0.00 H new ATOM 156 N LYS A 364 13.609 -11.315 1.572 1.00 0.00 N ATOM 157 CA LYS A 364 13.884 -9.893 1.722 1.00 0.00 C ATOM 158 C LYS A 364 14.955 -9.644 2.782 1.00 0.00 C ATOM 159 O LYS A 364 14.648 -9.385 3.946 1.00 0.00 O ATOM 160 CB LYS A 364 12.595 -9.147 2.074 1.00 0.00 C ATOM 161 CG LYS A 364 11.833 -9.759 3.240 1.00 0.00 C ATOM 162 CD LYS A 364 10.533 -9.017 3.506 1.00 0.00 C ATOM 163 CE LYS A 364 9.758 -9.644 4.654 1.00 0.00 C ATOM 164 NZ LYS A 364 10.532 -9.622 5.926 1.00 0.00 N ATOM 0 H LYS A 364 13.866 -11.883 2.379 1.00 0.00 H new ATOM 0 HA LYS A 364 14.265 -9.516 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 364 12.839 -8.112 2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 364 11.947 -9.127 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 364 11.618 -10.806 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 364 12.455 -9.737 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 364 10.749 -7.974 3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 364 9.919 -9.022 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 364 8.818 -9.109 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 364 9.505 -10.674 4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 9.905 -9.867 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 11.308 -10.313 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 10.925 -8.671 6.077 1.00 0.00 H new ATOM 178 N HIS A 365 16.214 -9.723 2.362 1.00 0.00 N ATOM 179 CA HIS A 365 17.342 -9.504 3.262 1.00 0.00 C ATOM 180 C HIS A 365 17.187 -8.182 4.006 1.00 0.00 C ATOM 181 O HIS A 365 17.533 -8.074 5.182 1.00 0.00 O ATOM 182 CB HIS A 365 18.655 -9.510 2.477 1.00 0.00 C ATOM 183 CG HIS A 365 18.900 -10.781 1.725 1.00 0.00 C ATOM 184 ND1 HIS A 365 18.046 -11.255 0.752 1.00 0.00 N ATOM 185 CD2 HIS A 365 19.913 -11.677 1.803 1.00 0.00 C ATOM 186 CE1 HIS A 365 18.521 -12.387 0.264 1.00 0.00 C ATOM 187 NE2 HIS A 365 19.653 -12.665 0.884 1.00 0.00 N ATOM 0 H HIS A 365 16.480 -9.938 1.401 1.00 0.00 H new ATOM 0 HA HIS A 365 17.360 -10.314 3.991 1.00 0.00 H new ATOM 0 HB2 HIS A 365 18.652 -8.677 1.774 1.00 0.00 H new ATOM 0 HB3 HIS A 365 19.482 -9.341 3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 365 20.766 -11.625 2.464 1.00 0.00 H new ATOM 0 HE1 HIS A 365 18.062 -12.983 -0.510 1.00 0.00 H new ATOM 0 HE2 HIS A 365 20.240 -13.481 0.709 1.00 0.00 H new ATOM 196 N LYS A 366 16.661 -7.181 3.306 1.00 0.00 N ATOM 197 CA LYS A 366 16.449 -5.860 3.886 1.00 0.00 C ATOM 198 C LYS A 366 15.616 -5.961 5.164 1.00 0.00 C ATOM 199 O LYS A 366 14.660 -6.733 5.226 1.00 0.00 O ATOM 200 CB LYS A 366 15.747 -4.953 2.870 1.00 0.00 C ATOM 201 CG LYS A 366 15.583 -3.514 3.334 1.00 0.00 C ATOM 202 CD LYS A 366 14.887 -2.669 2.279 1.00 0.00 C ATOM 203 CE LYS A 366 14.763 -1.219 2.718 1.00 0.00 C ATOM 204 NZ LYS A 366 14.051 -0.392 1.704 1.00 0.00 N ATOM 0 H LYS A 366 16.373 -7.261 2.331 1.00 0.00 H new ATOM 0 HA LYS A 366 17.418 -5.431 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 366 16.314 -4.961 1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 366 14.763 -5.367 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 366 15.007 -3.491 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 366 16.561 -3.088 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 366 15.445 -2.721 1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 366 13.895 -3.076 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 366 14.228 -1.171 3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 366 15.757 -0.806 2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 13.987 0.590 2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 14.575 -0.417 0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 13.094 -0.771 1.557 1.00 0.00 H new ATOM 218 N PRO A 367 15.980 -5.189 6.209 1.00 0.00 N ATOM 219 CA PRO A 367 15.266 -5.201 7.493 1.00 0.00 C ATOM 220 C PRO A 367 13.908 -4.504 7.422 1.00 0.00 C ATOM 221 O PRO A 367 13.587 -3.665 8.266 1.00 0.00 O ATOM 222 CB PRO A 367 16.208 -4.440 8.425 1.00 0.00 C ATOM 223 CG PRO A 367 16.973 -3.531 7.535 1.00 0.00 C ATOM 224 CD PRO A 367 17.122 -4.254 6.225 1.00 0.00 C ATOM 0 HA PRO A 367 15.041 -6.216 7.820 1.00 0.00 H new ATOM 0 HB2 PRO A 367 15.652 -3.881 9.178 1.00 0.00 H new ATOM 0 HB3 PRO A 367 16.871 -5.121 8.959 1.00 0.00 H new ATOM 0 HG2 PRO A 367 16.448 -2.585 7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 367 17.948 -3.296 7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 367 17.087 -3.565 5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 367 18.073 -4.783 6.166 1.00 0.00 H new ATOM 232 N ALA A 368 13.114 -4.857 6.416 1.00 0.00 N ATOM 233 CA ALA A 368 11.791 -4.271 6.234 1.00 0.00 C ATOM 234 C ALA A 368 11.019 -5.008 5.146 1.00 0.00 C ATOM 235 O ALA A 368 11.580 -5.365 4.109 1.00 0.00 O ATOM 236 CB ALA A 368 11.905 -2.793 5.892 1.00 0.00 C ATOM 0 H ALA A 368 13.366 -5.550 5.711 1.00 0.00 H new ATOM 0 HA ALA A 368 11.243 -4.370 7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 368 10.908 -2.372 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 368 12.415 -2.271 6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 368 12.474 -2.676 4.969 1.00 0.00 H new ATOM 242 N GLU A 369 9.732 -5.237 5.392 1.00 0.00 N ATOM 243 CA GLU A 369 8.878 -5.935 4.440 1.00 0.00 C ATOM 244 C GLU A 369 8.982 -5.306 3.056 1.00 0.00 C ATOM 245 O GLU A 369 8.934 -4.084 2.911 1.00 0.00 O ATOM 246 CB GLU A 369 7.425 -5.909 4.917 1.00 0.00 C ATOM 247 CG GLU A 369 7.220 -6.558 6.276 1.00 0.00 C ATOM 248 CD GLU A 369 5.771 -6.525 6.724 1.00 0.00 C ATOM 249 OE1 GLU A 369 5.210 -5.415 6.837 1.00 0.00 O ATOM 250 OE2 GLU A 369 5.199 -7.609 6.962 1.00 0.00 O ATOM 0 H GLU A 369 9.257 -4.947 6.247 1.00 0.00 H new ATOM 0 HA GLU A 369 9.215 -6.970 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 369 7.085 -4.875 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 369 6.801 -6.418 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 369 7.561 -7.593 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 369 7.837 -6.048 7.015 1.00 0.00 H new ATOM 257 N SER A 370 9.129 -6.153 2.044 1.00 0.00 N ATOM 258 CA SER A 370 9.244 -5.688 0.666 1.00 0.00 C ATOM 259 C SER A 370 8.049 -4.826 0.287 1.00 0.00 C ATOM 260 O SER A 370 8.194 -3.782 -0.348 1.00 0.00 O ATOM 261 CB SER A 370 9.356 -6.876 -0.292 1.00 0.00 C ATOM 262 OG SER A 370 8.191 -7.682 -0.246 1.00 0.00 O ATOM 0 H SER A 370 9.171 -7.166 2.151 1.00 0.00 H new ATOM 0 HA SER A 370 10.148 -5.084 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 370 9.511 -6.514 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 370 10.228 -7.476 -0.031 1.00 0.00 H new ATOM 0 HG SER A 370 8.288 -8.433 -0.868 1.00 0.00 H new ATOM 268 N GLN A 371 6.871 -5.273 0.692 1.00 0.00 N ATOM 269 CA GLN A 371 5.635 -4.552 0.412 1.00 0.00 C ATOM 270 C GLN A 371 5.597 -3.228 1.169 1.00 0.00 C ATOM 271 O GLN A 371 6.030 -3.149 2.319 1.00 0.00 O ATOM 272 CB GLN A 371 4.425 -5.408 0.791 1.00 0.00 C ATOM 273 CG GLN A 371 4.358 -6.731 0.045 1.00 0.00 C ATOM 274 CD GLN A 371 4.282 -6.549 -1.459 1.00 0.00 C ATOM 275 OE1 GLN A 371 3.340 -5.948 -1.977 1.00 0.00 O ATOM 276 NE2 GLN A 371 5.277 -7.069 -2.169 1.00 0.00 N ATOM 0 H GLN A 371 6.742 -6.137 1.219 1.00 0.00 H new ATOM 0 HA GLN A 371 5.599 -4.339 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 371 4.452 -5.606 1.863 1.00 0.00 H new ATOM 0 HB3 GLN A 371 3.514 -4.843 0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 371 5.236 -7.328 0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 371 3.487 -7.291 0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 371 6.038 -7.559 -1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 371 5.280 -6.978 -3.185 1.00 0.00 H new ATOM 285 N GLN A 372 5.078 -2.192 0.519 1.00 0.00 N ATOM 286 CA GLN A 372 4.987 -0.872 1.134 1.00 0.00 C ATOM 287 C GLN A 372 3.629 -0.234 0.857 1.00 0.00 C ATOM 288 O GLN A 372 3.182 -0.178 -0.289 1.00 0.00 O ATOM 289 CB GLN A 372 6.101 0.036 0.609 1.00 0.00 C ATOM 290 CG GLN A 372 7.500 -0.490 0.884 1.00 0.00 C ATOM 291 CD GLN A 372 8.581 0.425 0.345 1.00 0.00 C ATOM 292 OE1 GLN A 372 8.686 1.584 0.745 1.00 0.00 O ATOM 293 NE2 GLN A 372 9.392 -0.092 -0.572 1.00 0.00 N ATOM 0 H GLN A 372 4.714 -2.240 -0.433 1.00 0.00 H new ATOM 0 HA GLN A 372 5.100 -0.994 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 372 5.976 0.165 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 372 5.998 1.022 1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 372 7.634 -0.611 1.959 1.00 0.00 H new ATOM 0 HG3 GLN A 372 7.608 -1.478 0.436 1.00 0.00 H new ATOM 0 HE21 GLN A 372 9.269 -1.058 -0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 372 10.137 0.477 -0.973 1.00 0.00 H new ATOM 302 N GLN A 373 2.980 0.247 1.913 1.00 0.00 N ATOM 303 CA GLN A 373 1.675 0.883 1.784 1.00 0.00 C ATOM 304 C GLN A 373 1.787 2.182 0.993 1.00 0.00 C ATOM 305 O GLN A 373 2.618 3.037 1.303 1.00 0.00 O ATOM 306 CB GLN A 373 1.083 1.159 3.168 1.00 0.00 C ATOM 307 CG GLN A 373 -0.314 1.756 3.127 1.00 0.00 C ATOM 308 CD GLN A 373 -0.869 2.035 4.510 1.00 0.00 C ATOM 309 OE1 GLN A 373 -1.208 3.292 4.769 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 -0.993 1.130 5.336 1.00 0.00 N flip ATOM 0 H GLN A 373 3.337 0.208 2.868 1.00 0.00 H new ATOM 0 HA GLN A 373 1.013 0.205 1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.054 0.228 3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.743 1.839 3.707 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -0.292 2.683 2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.982 1.073 2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -0.720 0.178 5.094 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -1.369 1.333 6.262 1.00 0.00 H new ATOM 319 N ALA A 374 0.950 2.326 -0.029 1.00 0.00 N ATOM 320 CA ALA A 374 0.960 3.522 -0.861 1.00 0.00 C ATOM 321 C ALA A 374 -0.424 4.152 -0.934 1.00 0.00 C ATOM 322 O ALA A 374 -1.418 3.464 -1.168 1.00 0.00 O ATOM 323 CB ALA A 374 1.465 3.188 -2.257 1.00 0.00 C ATOM 0 H ALA A 374 0.257 1.629 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 374 1.635 4.246 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.467 4.090 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.478 2.791 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.812 2.443 -2.712 1.00 0.00 H new ATOM 329 N ALA A 375 -0.481 5.465 -0.738 1.00 0.00 N ATOM 330 CA ALA A 375 -1.743 6.188 -0.789 1.00 0.00 C ATOM 331 C ALA A 375 -2.383 6.054 -2.165 1.00 0.00 C ATOM 332 O ALA A 375 -2.028 6.771 -3.100 1.00 0.00 O ATOM 333 CB ALA A 375 -1.527 7.654 -0.445 1.00 0.00 C ATOM 0 H ALA A 375 0.332 6.048 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.419 5.753 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -2.480 8.182 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.112 7.735 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -0.834 8.097 -1.160 1.00 0.00 H new ATOM 339 N GLU A 376 -3.325 5.125 -2.280 1.00 0.00 N ATOM 340 CA GLU A 376 -4.018 4.884 -3.537 1.00 0.00 C ATOM 341 C GLU A 376 -4.919 6.065 -3.893 1.00 0.00 C ATOM 342 O GLU A 376 -4.643 7.204 -3.515 1.00 0.00 O ATOM 343 CB GLU A 376 -4.837 3.593 -3.431 1.00 0.00 C ATOM 344 CG GLU A 376 -4.024 2.399 -2.961 1.00 0.00 C ATOM 345 CD GLU A 376 -2.897 2.048 -3.913 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.186 1.746 -5.090 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.725 2.076 -3.481 1.00 0.00 O ATOM 0 H GLU A 376 -3.626 4.524 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.281 4.774 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.666 3.753 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.272 3.366 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.609 2.612 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.682 1.537 -2.850 1.00 0.00 H new ATOM 354 N THR A 377 -5.994 5.785 -4.620 1.00 0.00 N ATOM 355 CA THR A 377 -6.939 6.814 -5.035 1.00 0.00 C ATOM 356 C THR A 377 -8.335 6.226 -5.160 1.00 0.00 C ATOM 357 O THR A 377 -8.487 5.034 -5.412 1.00 0.00 O ATOM 358 CB THR A 377 -6.538 7.444 -6.383 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.502 6.438 -7.403 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.178 8.120 -6.287 1.00 0.00 C ATOM 0 H THR A 377 -6.234 4.845 -4.936 1.00 0.00 H new ATOM 0 HA THR A 377 -6.928 7.591 -4.271 1.00 0.00 H new ATOM 0 HB THR A 377 -7.283 8.198 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.426 5.554 -6.988 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.920 8.556 -7.252 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.215 8.905 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.424 7.383 -6.008 1.00 0.00 H new ATOM 368 N GLU A 378 -9.349 7.060 -4.968 1.00 0.00 N ATOM 369 CA GLU A 378 -10.731 6.606 -5.049 1.00 0.00 C ATOM 370 C GLU A 378 -10.958 5.787 -6.311 1.00 0.00 C ATOM 371 O GLU A 378 -11.644 4.766 -6.288 1.00 0.00 O ATOM 372 CB GLU A 378 -11.689 7.795 -5.027 1.00 0.00 C ATOM 373 CG GLU A 378 -13.153 7.389 -4.967 1.00 0.00 C ATOM 374 CD GLU A 378 -14.094 8.579 -4.993 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.603 9.725 -5.070 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.323 8.363 -4.935 1.00 0.00 O ATOM 0 H GLU A 378 -9.241 8.052 -4.756 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.927 5.976 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.458 8.423 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.524 8.402 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.379 6.734 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.329 6.812 -4.059 1.00 0.00 H new ATOM 383 N GLY A 379 -10.376 6.247 -7.410 1.00 0.00 N ATOM 384 CA GLY A 379 -10.525 5.553 -8.671 1.00 0.00 C ATOM 385 C GLY A 379 -9.903 4.174 -8.666 1.00 0.00 C ATOM 386 O GLY A 379 -10.493 3.223 -9.180 1.00 0.00 O ATOM 0 H GLY A 379 -9.803 7.090 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.585 5.466 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.069 6.148 -9.462 1.00 0.00 H new ATOM 390 N SER A 380 -8.714 4.058 -8.092 1.00 0.00 N ATOM 391 CA SER A 380 -8.029 2.773 -8.038 1.00 0.00 C ATOM 392 C SER A 380 -8.720 1.830 -7.059 1.00 0.00 C ATOM 393 O SER A 380 -8.998 0.679 -7.383 1.00 0.00 O ATOM 394 CB SER A 380 -6.567 2.965 -7.633 1.00 0.00 C ATOM 395 OG SER A 380 -6.465 3.549 -6.347 1.00 0.00 O ATOM 0 H SER A 380 -8.207 4.830 -7.660 1.00 0.00 H new ATOM 0 HA SER A 380 -8.067 2.328 -9.032 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.055 2.003 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.064 3.598 -8.364 1.00 0.00 H new ATOM 0 HG SER A 380 -7.292 4.032 -6.140 1.00 0.00 H new ATOM 401 N CYS A 381 -8.987 2.334 -5.860 1.00 0.00 N ATOM 402 CA CYS A 381 -9.633 1.551 -4.811 1.00 0.00 C ATOM 403 C CYS A 381 -10.895 0.852 -5.310 1.00 0.00 C ATOM 404 O CYS A 381 -11.083 -0.343 -5.078 1.00 0.00 O ATOM 405 CB CYS A 381 -9.974 2.453 -3.627 1.00 0.00 C ATOM 406 SG CYS A 381 -8.526 3.216 -2.830 1.00 0.00 S ATOM 0 H CYS A 381 -8.764 3.291 -5.587 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.931 0.778 -4.499 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.645 3.242 -3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.518 1.869 -2.884 1.00 0.00 H new ATOM 411 N ASN A 382 -11.757 1.599 -5.991 1.00 0.00 N ATOM 412 CA ASN A 382 -13.003 1.045 -6.515 1.00 0.00 C ATOM 413 C ASN A 382 -12.737 -0.178 -7.386 1.00 0.00 C ATOM 414 O ASN A 382 -13.583 -1.065 -7.503 1.00 0.00 O ATOM 415 CB ASN A 382 -13.757 2.097 -7.334 1.00 0.00 C ATOM 416 CG ASN A 382 -14.127 3.331 -6.529 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.733 3.365 -5.262 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.764 4.249 -7.046 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.617 2.589 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.613 0.744 -5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.142 2.396 -8.183 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.665 1.650 -7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -15.049 4.185 -8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.007 5.074 -6.497 1.00 0.00 H new ATOM 425 N LYS A 383 -11.564 -0.209 -8.007 1.00 0.00 N ATOM 426 CA LYS A 383 -11.189 -1.309 -8.883 1.00 0.00 C ATOM 427 C LYS A 383 -10.577 -2.460 -8.095 1.00 0.00 C ATOM 428 O LYS A 383 -10.736 -3.627 -8.456 1.00 0.00 O ATOM 429 CB LYS A 383 -10.204 -0.811 -9.940 1.00 0.00 C ATOM 430 CG LYS A 383 -10.650 0.476 -10.623 1.00 0.00 C ATOM 431 CD LYS A 383 -12.007 0.323 -11.295 1.00 0.00 C ATOM 432 CE LYS A 383 -11.978 -0.730 -12.391 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.002 -0.389 -13.463 1.00 0.00 N ATOM 0 H LYS A 383 -10.855 0.519 -7.919 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.090 -1.681 -9.371 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.233 -0.648 -9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.069 -1.586 -10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.698 1.279 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.908 0.768 -11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.754 0.051 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.313 1.280 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.720 -1.697 -11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.973 -0.830 -12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.153 -1.013 -14.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -11.136 0.601 -13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.034 -0.517 -13.105 1.00 0.00 H new ATOM 447 N LYS A 384 -9.868 -2.123 -7.025 1.00 0.00 N ATOM 448 CA LYS A 384 -9.219 -3.118 -6.189 1.00 0.00 C ATOM 449 C LYS A 384 -10.232 -4.040 -5.520 1.00 0.00 C ATOM 450 O LYS A 384 -11.149 -3.581 -4.839 1.00 0.00 O ATOM 451 CB LYS A 384 -8.370 -2.411 -5.133 1.00 0.00 C ATOM 452 CG LYS A 384 -6.992 -1.961 -5.616 1.00 0.00 C ATOM 453 CD LYS A 384 -7.018 -1.327 -6.999 1.00 0.00 C ATOM 454 CE LYS A 384 -6.747 -2.348 -8.095 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.750 -1.725 -9.447 1.00 0.00 N ATOM 0 H LYS A 384 -9.729 -1.161 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.584 -3.738 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.916 -1.539 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.241 -3.081 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.580 -1.246 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.321 -2.820 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.990 -0.862 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.272 -0.534 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.783 -2.824 -7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.503 -3.133 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.393 -2.253 -10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.071 -0.739 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.788 -1.747 -9.842 1.00 0.00 H new ATOM 469 N ASP A 385 -10.048 -5.345 -5.707 1.00 0.00 N ATOM 470 CA ASP A 385 -10.935 -6.335 -5.108 1.00 0.00 C ATOM 471 C ASP A 385 -10.720 -6.382 -3.601 1.00 0.00 C ATOM 472 O ASP A 385 -9.916 -5.624 -3.066 1.00 0.00 O ATOM 473 CB ASP A 385 -10.687 -7.715 -5.718 1.00 0.00 C ATOM 474 CG ASP A 385 -10.955 -7.745 -7.210 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.107 -7.475 -7.611 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.013 -8.036 -7.977 1.00 0.00 O ATOM 0 H ASP A 385 -9.293 -5.740 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.966 -6.047 -5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.655 -8.011 -5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.324 -8.448 -5.223 1.00 0.00 H new ATOM 481 N GLN A 386 -11.435 -7.275 -2.922 1.00 0.00 N ATOM 482 CA GLN A 386 -11.308 -7.405 -1.474 1.00 0.00 C ATOM 483 C GLN A 386 -9.840 -7.480 -1.066 1.00 0.00 C ATOM 484 O GLN A 386 -9.385 -6.731 -0.202 1.00 0.00 O ATOM 485 CB GLN A 386 -12.053 -8.650 -0.984 1.00 0.00 C ATOM 486 CG GLN A 386 -12.002 -8.835 0.525 1.00 0.00 C ATOM 487 CD GLN A 386 -12.783 -10.048 0.992 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.984 -10.160 0.745 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.104 -10.961 1.676 1.00 0.00 N ATOM 0 H GLN A 386 -12.104 -7.916 -3.348 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.752 -6.523 -1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.095 -8.588 -1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.627 -9.531 -1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.963 -8.933 0.840 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.399 -7.943 1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -11.109 -10.827 1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.577 -11.797 2.020 1.00 0.00 H new ATOM 498 N ASN A 387 -9.104 -8.382 -1.702 1.00 0.00 N ATOM 499 CA ASN A 387 -7.693 -8.559 -1.422 1.00 0.00 C ATOM 500 C ASN A 387 -6.886 -7.330 -1.831 1.00 0.00 C ATOM 501 O ASN A 387 -5.919 -6.960 -1.165 1.00 0.00 O ATOM 502 CB ASN A 387 -7.182 -9.784 -2.161 1.00 0.00 C ATOM 503 CG ASN A 387 -7.918 -11.048 -1.766 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.914 -11.445 -0.600 1.00 0.00 O ATOM 505 ND2 ASN A 387 -8.556 -11.689 -2.738 1.00 0.00 N ATOM 0 H ASN A 387 -9.469 -9.006 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.570 -8.696 -0.348 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.287 -9.627 -3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.118 -9.909 -1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -9.069 -12.546 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -8.533 -11.324 -3.690 1.00 0.00 H new ATOM 512 N GLU A 388 -7.285 -6.710 -2.937 1.00 0.00 N ATOM 513 CA GLU A 388 -6.598 -5.530 -3.450 1.00 0.00 C ATOM 514 C GLU A 388 -6.998 -4.272 -2.689 1.00 0.00 C ATOM 515 O GLU A 388 -6.370 -3.225 -2.845 1.00 0.00 O ATOM 516 CB GLU A 388 -6.884 -5.362 -4.944 1.00 0.00 C ATOM 517 CG GLU A 388 -6.403 -6.532 -5.789 1.00 0.00 C ATOM 518 CD GLU A 388 -6.651 -6.325 -7.271 1.00 0.00 C ATOM 519 OE1 GLU A 388 -6.104 -5.354 -7.835 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.392 -7.134 -7.868 1.00 0.00 O ATOM 0 H GLU A 388 -8.084 -7.007 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.528 -5.677 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.957 -5.237 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.406 -4.448 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.337 -6.682 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.908 -7.442 -5.464 1.00 0.00 H new ATOM 527 N CYS A 389 -8.038 -4.371 -1.863 1.00 0.00 N ATOM 528 CA CYS A 389 -8.491 -3.222 -1.088 1.00 0.00 C ATOM 529 C CYS A 389 -7.361 -2.749 -0.178 1.00 0.00 C ATOM 530 O CYS A 389 -7.133 -3.308 0.895 1.00 0.00 O ATOM 531 CB CYS A 389 -9.734 -3.580 -0.271 1.00 0.00 C ATOM 532 SG CYS A 389 -10.670 -2.133 0.324 1.00 0.00 S ATOM 0 H CYS A 389 -8.576 -5.225 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.762 -2.414 -1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.391 -4.200 -0.881 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.432 -4.182 0.586 1.00 0.00 H new ATOM 537 N LYS A 390 -6.636 -1.738 -0.643 1.00 0.00 N ATOM 538 CA LYS A 390 -5.494 -1.198 0.089 1.00 0.00 C ATOM 539 C LYS A 390 -5.909 -0.430 1.342 1.00 0.00 C ATOM 540 O LYS A 390 -7.066 -0.037 1.495 1.00 0.00 O ATOM 541 CB LYS A 390 -4.664 -0.319 -0.837 1.00 0.00 C ATOM 542 CG LYS A 390 -4.062 -1.089 -2.006 1.00 0.00 C ATOM 543 CD LYS A 390 -3.046 -2.122 -1.537 1.00 0.00 C ATOM 544 CE LYS A 390 -1.864 -1.470 -0.834 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.140 -0.524 -1.727 1.00 0.00 N ATOM 0 H LYS A 390 -6.820 -1.272 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.891 -2.039 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.290 0.486 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.862 0.147 -0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.857 -1.587 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.582 -0.392 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.529 -2.826 -0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.689 -2.696 -2.392 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.216 -0.938 0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.176 -2.242 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.235 -0.257 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.960 -0.981 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.719 0.328 -1.872 1.00 0.00 H new ATOM 559 N SER A 391 -4.944 -0.245 2.243 1.00 0.00 N ATOM 560 CA SER A 391 -5.176 0.447 3.511 1.00 0.00 C ATOM 561 C SER A 391 -5.871 1.795 3.316 1.00 0.00 C ATOM 562 O SER A 391 -6.927 2.029 3.902 1.00 0.00 O ATOM 563 CB SER A 391 -3.859 0.637 4.266 1.00 0.00 C ATOM 564 OG SER A 391 -4.074 1.271 5.516 1.00 0.00 O ATOM 0 H SER A 391 -3.985 -0.568 2.116 1.00 0.00 H new ATOM 0 HA SER A 391 -5.842 -0.182 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.383 -0.331 4.423 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.174 1.235 3.664 1.00 0.00 H new ATOM 0 HG SER A 391 -3.385 0.984 6.151 1.00 0.00 H new ATOM 570 N PRO A 392 -5.310 2.709 2.491 1.00 0.00 N ATOM 571 CA PRO A 392 -5.923 4.012 2.249 1.00 0.00 C ATOM 572 C PRO A 392 -7.381 3.858 1.857 1.00 0.00 C ATOM 573 O PRO A 392 -8.232 4.666 2.230 1.00 0.00 O ATOM 574 CB PRO A 392 -5.109 4.589 1.079 1.00 0.00 C ATOM 575 CG PRO A 392 -4.310 3.451 0.550 1.00 0.00 C ATOM 576 CD PRO A 392 -4.064 2.568 1.726 1.00 0.00 C ATOM 0 HA PRO A 392 -5.911 4.652 3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.764 4.999 0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.462 5.400 1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.850 2.921 -0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.373 3.797 0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.885 1.535 1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.195 2.889 2.301 1.00 0.00 H new ATOM 584 N CYS A 393 -7.655 2.800 1.104 1.00 0.00 N ATOM 585 CA CYS A 393 -9.003 2.507 0.652 1.00 0.00 C ATOM 586 C CYS A 393 -9.868 2.039 1.814 1.00 0.00 C ATOM 587 O CYS A 393 -9.376 1.427 2.762 1.00 0.00 O ATOM 588 CB CYS A 393 -8.977 1.431 -0.427 1.00 0.00 C ATOM 589 SG CYS A 393 -7.740 1.704 -1.736 1.00 0.00 S ATOM 0 H CYS A 393 -6.953 2.128 0.793 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.428 3.422 0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.783 0.467 0.043 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.964 1.369 -0.885 1.00 0.00 H new ATOM 594 N LYS A 394 -11.158 2.324 1.727 1.00 0.00 N ATOM 595 CA LYS A 394 -12.101 1.926 2.763 1.00 0.00 C ATOM 596 C LYS A 394 -12.928 0.734 2.304 1.00 0.00 C ATOM 597 O LYS A 394 -13.644 0.806 1.300 1.00 0.00 O ATOM 598 CB LYS A 394 -13.017 3.094 3.138 1.00 0.00 C ATOM 599 CG LYS A 394 -14.014 2.756 4.236 1.00 0.00 C ATOM 600 CD LYS A 394 -14.873 3.956 4.604 1.00 0.00 C ATOM 601 CE LYS A 394 -14.036 5.089 5.177 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.874 6.262 5.551 1.00 0.00 N ATOM 0 H LYS A 394 -11.578 2.831 0.948 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.533 1.635 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.405 3.936 3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.562 3.417 2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.654 1.937 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.479 2.407 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.406 4.307 3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.626 3.655 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.496 4.734 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.289 5.395 4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.267 7.013 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.370 6.617 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.571 5.976 6.268 1.00 0.00 H new ATOM 616 N TRP A 395 -12.814 -0.360 3.047 1.00 0.00 N ATOM 617 CA TRP A 395 -13.532 -1.584 2.733 1.00 0.00 C ATOM 618 C TRP A 395 -14.992 -1.500 3.167 1.00 0.00 C ATOM 619 O TRP A 395 -15.323 -0.836 4.150 1.00 0.00 O ATOM 620 CB TRP A 395 -12.856 -2.780 3.408 1.00 0.00 C ATOM 621 CG TRP A 395 -13.474 -4.096 3.047 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.926 -5.052 3.909 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.703 -4.603 1.727 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.425 -6.123 3.207 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.299 -5.871 1.866 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.462 -4.109 0.440 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.659 -6.648 0.768 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.820 -4.882 -0.648 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.412 -6.139 -0.477 1.00 0.00 C ATOM 0 H TRP A 395 -12.225 -0.422 3.878 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.507 -1.717 1.651 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.802 -2.795 3.132 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.901 -2.651 4.489 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.896 -4.978 4.986 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.824 -6.967 3.617 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -13.004 -3.141 0.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.117 -7.618 0.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.640 -4.511 -1.646 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.680 -6.720 -1.348 1.00 0.00 H new ATOM 640 N HIS A 396 -15.857 -2.187 2.430 1.00 0.00 N ATOM 641 CA HIS A 396 -17.281 -2.206 2.737 1.00 0.00 C ATOM 642 C HIS A 396 -17.847 -3.611 2.575 1.00 0.00 C ATOM 643 O HIS A 396 -17.941 -4.132 1.461 1.00 0.00 O ATOM 644 CB HIS A 396 -18.037 -1.232 1.832 1.00 0.00 C ATOM 645 CG HIS A 396 -17.767 0.209 2.142 1.00 0.00 C ATOM 646 ND1 HIS A 396 -18.071 0.787 3.356 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.218 1.191 1.387 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.723 2.061 3.335 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.203 2.331 2.153 1.00 0.00 N ATOM 0 H HIS A 396 -15.595 -2.739 1.613 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.408 -1.895 3.774 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.766 -1.429 0.795 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.107 -1.420 1.923 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.859 1.095 0.373 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.844 2.762 4.147 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.847 3.240 1.856 1.00 0.00 H new ATOM 658 N ASN A 397 -18.227 -4.211 3.700 1.00 0.00 N ATOM 659 CA ASN A 397 -18.793 -5.554 3.709 1.00 0.00 C ATOM 660 C ASN A 397 -20.143 -5.566 3.003 1.00 0.00 C ATOM 661 O ASN A 397 -20.825 -4.542 2.940 1.00 0.00 O ATOM 662 CB ASN A 397 -18.939 -6.056 5.148 1.00 0.00 C ATOM 663 CG ASN A 397 -19.476 -7.473 5.227 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.612 -7.745 4.839 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.656 -8.388 5.733 1.00 0.00 N ATOM 0 H ASN A 397 -18.152 -3.783 4.623 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.118 -6.221 3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.969 -6.012 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -19.606 -5.389 5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.961 -9.358 5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.722 -8.120 6.043 1.00 0.00 H new ATOM 672 N ASP A 398 -20.515 -6.724 2.465 1.00 0.00 N ATOM 673 CA ASP A 398 -21.779 -6.868 1.753 1.00 0.00 C ATOM 674 C ASP A 398 -21.748 -6.060 0.457 1.00 0.00 C ATOM 675 O ASP A 398 -20.987 -6.384 -0.456 1.00 0.00 O ATOM 676 CB ASP A 398 -22.955 -6.438 2.642 1.00 0.00 C ATOM 677 CG ASP A 398 -24.304 -6.707 2.002 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.334 -7.251 0.877 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.333 -6.376 2.628 1.00 0.00 O ATOM 0 H ASP A 398 -19.957 -7.577 2.509 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.920 -7.919 1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.897 -6.966 3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.868 -5.374 2.862 1.00 0.00 H new ATOM 684 N ALA A 399 -22.571 -5.012 0.375 1.00 0.00 N ATOM 685 CA ALA A 399 -22.624 -4.171 -0.818 1.00 0.00 C ATOM 686 C ALA A 399 -23.115 -4.968 -2.025 1.00 0.00 C ATOM 687 O ALA A 399 -23.029 -6.196 -2.045 1.00 0.00 O ATOM 688 CB ALA A 399 -21.259 -3.550 -1.098 1.00 0.00 C ATOM 0 H ALA A 399 -23.207 -4.728 1.120 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.335 -3.365 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.319 -2.927 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.956 -2.938 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.525 -4.340 -1.256 1.00 0.00 H new ATOM 694 N GLU A 400 -23.636 -4.263 -3.027 1.00 0.00 N ATOM 695 CA GLU A 400 -24.144 -4.905 -4.235 1.00 0.00 C ATOM 696 C GLU A 400 -23.119 -5.879 -4.803 1.00 0.00 C ATOM 697 O GLU A 400 -23.474 -6.863 -5.452 1.00 0.00 O ATOM 698 CB GLU A 400 -24.507 -3.853 -5.286 1.00 0.00 C ATOM 699 CG GLU A 400 -23.337 -2.978 -5.707 1.00 0.00 C ATOM 700 CD GLU A 400 -23.726 -1.950 -6.751 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.622 -1.127 -6.469 1.00 0.00 O ATOM 702 OE2 GLU A 400 -23.134 -1.967 -7.851 1.00 0.00 O ATOM 0 H GLU A 400 -23.717 -3.246 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.041 -5.464 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.908 -4.355 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.300 -3.218 -4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -22.936 -2.468 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -22.540 -3.608 -6.102 1.00 0.00 H new ATOM 709 N ASN A 401 -21.846 -5.595 -4.550 1.00 0.00 N ATOM 710 CA ASN A 401 -20.762 -6.441 -5.030 1.00 0.00 C ATOM 711 C ASN A 401 -19.443 -6.058 -4.363 1.00 0.00 C ATOM 712 O ASN A 401 -18.407 -5.964 -5.022 1.00 0.00 O ATOM 713 CB ASN A 401 -20.641 -6.327 -6.552 1.00 0.00 C ATOM 714 CG ASN A 401 -20.327 -4.916 -7.029 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.262 -3.962 -6.104 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.151 -4.685 -8.225 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.540 -4.783 -4.014 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.989 -7.475 -4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -19.859 -7.002 -6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.573 -6.658 -7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.209 -5.443 -8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -19.947 -3.735 -8.536 1.00 0.00 H new ATOM 723 N LYS A 402 -19.500 -5.834 -3.049 1.00 0.00 N ATOM 724 CA LYS A 402 -18.321 -5.454 -2.271 1.00 0.00 C ATOM 725 C LYS A 402 -17.818 -4.075 -2.690 1.00 0.00 C ATOM 726 O LYS A 402 -17.656 -3.801 -3.879 1.00 0.00 O ATOM 727 CB LYS A 402 -17.208 -6.493 -2.442 1.00 0.00 C ATOM 728 CG LYS A 402 -17.577 -7.877 -1.931 1.00 0.00 C ATOM 729 CD LYS A 402 -17.795 -7.879 -0.427 1.00 0.00 C ATOM 730 CE LYS A 402 -18.112 -9.273 0.088 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.315 -9.288 1.563 1.00 0.00 N ATOM 0 H LYS A 402 -20.356 -5.910 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.607 -5.414 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.948 -6.563 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.317 -6.148 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.483 -8.220 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.786 -8.582 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.903 -7.500 0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.612 -7.203 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.009 -9.647 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.299 -9.950 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.846 -10.122 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.908 -8.426 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.333 -9.327 1.773 1.00 0.00 H new ATOM 745 N LYS A 403 -17.575 -3.205 -1.712 1.00 0.00 N ATOM 746 CA LYS A 403 -17.096 -1.858 -2.010 1.00 0.00 C ATOM 747 C LYS A 403 -15.768 -1.558 -1.319 1.00 0.00 C ATOM 748 O LYS A 403 -15.515 -2.013 -0.206 1.00 0.00 O ATOM 749 CB LYS A 403 -18.132 -0.807 -1.610 1.00 0.00 C ATOM 750 CG LYS A 403 -19.433 -0.903 -2.391 1.00 0.00 C ATOM 751 CD LYS A 403 -20.352 0.279 -2.109 1.00 0.00 C ATOM 752 CE LYS A 403 -20.652 0.421 -0.625 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.630 1.512 -0.357 1.00 0.00 N ATOM 0 H LYS A 403 -17.700 -3.405 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.937 -1.813 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.348 -0.909 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.704 0.185 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.214 -0.946 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.944 -1.830 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.888 1.195 -2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -21.285 0.153 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.045 -0.521 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.727 0.623 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.807 1.576 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.244 2.415 -0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.522 1.308 -0.851 1.00 0.00 H new ATOM 767 N CYS A 404 -14.934 -0.776 -1.996 1.00 0.00 N ATOM 768 CA CYS A 404 -13.628 -0.382 -1.476 1.00 0.00 C ATOM 769 C CYS A 404 -13.309 1.042 -1.931 1.00 0.00 C ATOM 770 O CYS A 404 -12.484 1.249 -2.818 1.00 0.00 O ATOM 771 CB CYS A 404 -12.540 -1.349 -1.961 1.00 0.00 C ATOM 772 SG CYS A 404 -10.870 -0.971 -1.335 1.00 0.00 S ATOM 0 H CYS A 404 -15.143 -0.397 -2.920 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.654 -0.417 -0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.808 -2.361 -1.659 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.519 -1.337 -3.051 1.00 0.00 H new ATOM 777 N THR A 405 -13.999 2.017 -1.338 1.00 0.00 N ATOM 778 CA THR A 405 -13.818 3.425 -1.704 1.00 0.00 C ATOM 779 C THR A 405 -12.704 4.093 -0.903 1.00 0.00 C ATOM 780 O THR A 405 -12.655 3.984 0.319 1.00 0.00 O ATOM 781 CB THR A 405 -15.117 4.227 -1.509 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.492 4.226 -0.126 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.246 3.641 -2.345 1.00 0.00 C ATOM 0 H THR A 405 -14.688 1.859 -0.603 1.00 0.00 H new ATOM 0 HA THR A 405 -13.540 3.427 -2.758 1.00 0.00 H new ATOM 0 HB THR A 405 -14.937 5.251 -1.836 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.689 4.146 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.154 4.224 -2.191 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.971 3.670 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.423 2.608 -2.045 1.00 0.00 H new ATOM 791 N LEU A 406 -11.822 4.801 -1.607 1.00 0.00 N ATOM 792 CA LEU A 406 -10.707 5.503 -0.979 1.00 0.00 C ATOM 793 C LEU A 406 -11.208 6.552 0.005 1.00 0.00 C ATOM 794 O LEU A 406 -12.214 7.219 -0.235 1.00 0.00 O ATOM 795 CB LEU A 406 -9.829 6.150 -2.053 1.00 0.00 C ATOM 796 CG LEU A 406 -8.502 6.754 -1.579 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.714 8.122 -0.954 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.802 5.821 -0.604 1.00 0.00 C ATOM 0 H LEU A 406 -11.860 4.903 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.111 4.780 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.610 5.399 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.407 6.936 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.862 6.880 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.755 8.525 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.158 8.793 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.380 8.031 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.863 6.270 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.441 5.654 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.599 4.869 -1.094 1.00 0.00 H new ATOM 810 N ASP A 407 -10.493 6.687 1.112 1.00 0.00 N ATOM 811 CA ASP A 407 -10.851 7.651 2.147 1.00 0.00 C ATOM 812 C ASP A 407 -9.885 8.833 2.144 1.00 0.00 C ATOM 813 O ASP A 407 -8.670 8.651 2.083 1.00 0.00 O ATOM 814 CB ASP A 407 -10.848 6.975 3.521 1.00 0.00 C ATOM 815 CG ASP A 407 -11.340 7.889 4.629 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.727 9.038 4.328 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.344 7.452 5.799 1.00 0.00 O ATOM 0 H ASP A 407 -9.658 6.140 1.319 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.853 8.024 1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.477 6.085 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.837 6.641 3.754 1.00 0.00 H new ATOM 822 N LYS A 408 -10.433 10.042 2.211 1.00 0.00 N ATOM 823 CA LYS A 408 -9.618 11.253 2.215 1.00 0.00 C ATOM 824 C LYS A 408 -8.701 11.294 3.434 1.00 0.00 C ATOM 825 O LYS A 408 -7.537 11.675 3.330 1.00 0.00 O ATOM 826 CB LYS A 408 -10.510 12.497 2.189 1.00 0.00 C ATOM 827 CG LYS A 408 -11.465 12.594 3.369 1.00 0.00 C ATOM 828 CD LYS A 408 -12.326 13.844 3.288 1.00 0.00 C ATOM 829 CE LYS A 408 -13.277 13.943 4.470 1.00 0.00 C ATOM 830 NZ LYS A 408 -14.136 15.157 4.393 1.00 0.00 N ATOM 0 H LYS A 408 -11.438 10.210 2.263 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.997 11.242 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.878 13.385 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -11.088 12.499 1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.104 11.712 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.896 12.602 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.687 14.726 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.897 13.834 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.907 13.054 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.703 13.963 5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -14.770 15.187 5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -13.536 16.007 4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.703 15.126 3.522 1.00 0.00 H new ATOM 844 N GLU A 409 -9.237 10.907 4.588 1.00 0.00 N ATOM 845 CA GLU A 409 -8.474 10.906 5.831 1.00 0.00 C ATOM 846 C GLU A 409 -7.289 9.943 5.757 1.00 0.00 C ATOM 847 O GLU A 409 -6.180 10.278 6.172 1.00 0.00 O ATOM 848 CB GLU A 409 -9.382 10.529 7.003 1.00 0.00 C ATOM 849 CG GLU A 409 -8.674 10.531 8.346 1.00 0.00 C ATOM 850 CD GLU A 409 -9.596 10.158 9.491 1.00 0.00 C ATOM 851 OE1 GLU A 409 -10.600 10.871 9.702 1.00 0.00 O ATOM 852 OE2 GLU A 409 -9.315 9.152 10.175 1.00 0.00 O ATOM 0 H GLU A 409 -10.201 10.589 4.687 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.082 11.911 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.219 11.226 7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.800 9.539 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -7.839 9.831 8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -8.254 11.520 8.530 1.00 0.00 H new ATOM 859 N GLU A 410 -7.529 8.745 5.237 1.00 0.00 N ATOM 860 CA GLU A 410 -6.477 7.739 5.121 1.00 0.00 C ATOM 861 C GLU A 410 -5.426 8.154 4.096 1.00 0.00 C ATOM 862 O GLU A 410 -4.226 8.048 4.349 1.00 0.00 O ATOM 863 CB GLU A 410 -7.075 6.384 4.737 1.00 0.00 C ATOM 864 CG GLU A 410 -8.045 5.829 5.769 1.00 0.00 C ATOM 865 CD GLU A 410 -7.377 5.516 7.096 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.853 6.453 7.735 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.376 4.332 7.494 1.00 0.00 O ATOM 0 H GLU A 410 -8.440 8.446 4.889 1.00 0.00 H new ATOM 0 HA GLU A 410 -5.990 7.652 6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -7.591 6.482 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.266 5.668 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.846 6.550 5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -8.506 4.923 5.377 1.00 0.00 H new ATOM 874 N ALA A 411 -5.883 8.618 2.939 1.00 0.00 N ATOM 875 CA ALA A 411 -4.980 9.040 1.873 1.00 0.00 C ATOM 876 C ALA A 411 -4.091 10.199 2.315 1.00 0.00 C ATOM 877 O ALA A 411 -2.878 10.168 2.108 1.00 0.00 O ATOM 878 CB ALA A 411 -5.772 9.415 0.631 1.00 0.00 C ATOM 0 H ALA A 411 -6.873 8.712 2.714 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.327 8.200 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.087 9.728 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.346 8.553 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.452 10.234 0.867 1.00 0.00 H new ATOM 884 N LYS A 412 -4.691 11.216 2.927 1.00 0.00 N ATOM 885 CA LYS A 412 -3.932 12.371 3.395 1.00 0.00 C ATOM 886 C LYS A 412 -2.908 11.941 4.440 1.00 0.00 C ATOM 887 O LYS A 412 -1.786 12.443 4.467 1.00 0.00 O ATOM 888 CB LYS A 412 -4.863 13.442 3.974 1.00 0.00 C ATOM 889 CG LYS A 412 -5.627 12.993 5.210 1.00 0.00 C ATOM 890 CD LYS A 412 -6.486 14.110 5.790 1.00 0.00 C ATOM 891 CE LYS A 412 -5.646 15.190 6.461 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.797 15.934 5.489 1.00 0.00 N ATOM 0 H LYS A 412 -5.693 11.264 3.109 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.408 12.802 2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.274 14.325 4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.577 13.742 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.261 12.144 4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -4.922 12.649 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.083 14.557 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.183 13.691 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -6.304 15.891 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.010 14.733 7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.752 16.936 5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -3.838 15.532 5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.208 15.854 4.537 1.00 0.00 H new ATOM 906 N LYS A 413 -3.306 11.005 5.298 1.00 0.00 N ATOM 907 CA LYS A 413 -2.432 10.498 6.344 1.00 0.00 C ATOM 908 C LYS A 413 -1.178 9.877 5.732 1.00 0.00 C ATOM 909 O LYS A 413 -0.057 10.209 6.118 1.00 0.00 O ATOM 910 CB LYS A 413 -3.181 9.458 7.180 1.00 0.00 C ATOM 911 CG LYS A 413 -2.623 9.272 8.581 1.00 0.00 C ATOM 912 CD LYS A 413 -1.227 8.662 8.573 1.00 0.00 C ATOM 913 CE LYS A 413 -1.228 7.264 7.973 1.00 0.00 C ATOM 914 NZ LYS A 413 -2.100 6.332 8.740 1.00 0.00 N ATOM 0 H LYS A 413 -4.234 10.582 5.286 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.130 11.325 6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.228 9.752 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.154 8.501 6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -2.592 10.236 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -3.293 8.632 9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -0.553 9.302 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -0.842 8.621 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -1.569 7.313 6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -0.210 6.876 7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -1.908 5.354 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -1.904 6.430 9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -3.098 6.560 8.557 1.00 0.00 H new ATOM 928 N VAL A 414 -1.381 8.977 4.774 1.00 0.00 N ATOM 929 CA VAL A 414 -0.271 8.310 4.102 1.00 0.00 C ATOM 930 C VAL A 414 0.643 9.325 3.427 1.00 0.00 C ATOM 931 O VAL A 414 1.864 9.277 3.581 1.00 0.00 O ATOM 932 CB VAL A 414 -0.774 7.305 3.047 1.00 0.00 C ATOM 933 CG1 VAL A 414 0.397 6.596 2.380 1.00 0.00 C ATOM 934 CG2 VAL A 414 -1.725 6.300 3.678 1.00 0.00 C ATOM 0 H VAL A 414 -2.304 8.693 4.446 1.00 0.00 H new ATOM 0 HA VAL A 414 0.287 7.770 4.866 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.319 7.855 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 414 0.021 5.891 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 414 1.036 7.331 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.973 6.058 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.070 5.599 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.207 5.755 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -2.581 6.825 4.102 1.00 0.00 H new ATOM 944 N ALA A 415 0.041 10.250 2.688 1.00 0.00 N ATOM 945 CA ALA A 415 0.794 11.288 1.997 1.00 0.00 C ATOM 946 C ALA A 415 1.544 12.159 2.996 1.00 0.00 C ATOM 947 O ALA A 415 2.615 12.688 2.698 1.00 0.00 O ATOM 948 CB ALA A 415 -0.136 12.136 1.143 1.00 0.00 C ATOM 0 H ALA A 415 -0.969 10.302 2.552 1.00 0.00 H new ATOM 0 HA ALA A 415 1.524 10.809 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.441 12.907 0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.629 11.504 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.887 12.605 1.779 1.00 0.00 H new ATOM 954 N ASP A 416 0.966 12.304 4.185 1.00 0.00 N ATOM 955 CA ASP A 416 1.569 13.110 5.242 1.00 0.00 C ATOM 956 C ASP A 416 2.694 12.346 5.936 1.00 0.00 C ATOM 957 O ASP A 416 2.881 12.451 7.149 1.00 0.00 O ATOM 958 CB ASP A 416 0.504 13.516 6.261 1.00 0.00 C ATOM 959 CG ASP A 416 1.022 14.512 7.282 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.437 15.618 6.875 1.00 0.00 O ATOM 961 OD2 ASP A 416 1.013 14.186 8.487 1.00 0.00 O ATOM 0 H ASP A 416 0.078 11.872 4.441 1.00 0.00 H new ATOM 0 HA ASP A 416 1.994 14.006 4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.348 13.949 5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.143 12.627 6.777 1.00 0.00 H new ATOM 966 N GLU A 417 3.442 11.577 5.155 1.00 0.00 N ATOM 967 CA GLU A 417 4.554 10.791 5.682 1.00 0.00 C ATOM 968 C GLU A 417 5.683 10.699 4.661 1.00 0.00 C ATOM 969 O GLU A 417 6.848 10.922 4.988 1.00 0.00 O ATOM 970 CB GLU A 417 4.086 9.383 6.060 1.00 0.00 C ATOM 971 CG GLU A 417 3.055 9.356 7.177 1.00 0.00 C ATOM 972 CD GLU A 417 2.629 7.947 7.544 1.00 0.00 C ATOM 973 OE1 GLU A 417 3.128 6.991 6.913 1.00 0.00 O ATOM 974 OE2 GLU A 417 1.796 7.800 8.462 1.00 0.00 O ATOM 0 H GLU A 417 3.299 11.480 4.150 1.00 0.00 H new ATOM 0 HA GLU A 417 4.926 11.294 6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 417 3.664 8.902 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 417 4.951 8.792 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 417 3.466 9.848 8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 417 2.179 9.929 6.872 1.00 0.00 H new ATOM 981 N THR A 418 5.328 10.371 3.421 1.00 0.00 N ATOM 982 CA THR A 418 6.310 10.253 2.349 1.00 0.00 C ATOM 983 C THR A 418 6.683 11.625 1.790 1.00 0.00 C ATOM 984 O THR A 418 6.843 11.795 0.580 1.00 0.00 O ATOM 985 CB THR A 418 5.789 9.353 1.213 1.00 0.00 C ATOM 986 OG1 THR A 418 6.764 9.259 0.167 1.00 0.00 O ATOM 987 CG2 THR A 418 4.490 9.900 0.658 1.00 0.00 C ATOM 0 H THR A 418 4.367 10.182 3.135 1.00 0.00 H new ATOM 0 HA THR A 418 7.201 9.795 2.777 1.00 0.00 H new ATOM 0 HB THR A 418 5.607 8.358 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 418 6.976 10.157 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 418 4.136 9.252 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.743 9.938 1.451 1.00 0.00 H new ATOM 0 HG23 THR A 418 4.655 10.904 0.267 1.00 0.00 H new ATOM 995 N ALA A 419 6.822 12.600 2.684 1.00 0.00 N ATOM 996 CA ALA A 419 7.176 13.961 2.296 1.00 0.00 C ATOM 997 C ALA A 419 7.372 14.844 3.523 1.00 0.00 C ATOM 998 O ALA A 419 8.305 15.645 3.581 1.00 0.00 O ATOM 999 CB ALA A 419 6.105 14.553 1.391 1.00 0.00 C ATOM 0 H ALA A 419 6.694 12.471 3.688 1.00 0.00 H new ATOM 0 HA ALA A 419 8.117 13.920 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 419 6.386 15.568 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.009 13.943 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 419 5.152 14.572 1.920 1.00 0.00 H new ATOM 1005 N LYS A 420 6.483 14.691 4.499 1.00 0.00 N ATOM 1006 CA LYS A 420 6.545 15.467 5.725 1.00 0.00 C ATOM 1007 C LYS A 420 7.874 15.258 6.443 1.00 0.00 C ATOM 1008 O LYS A 420 8.465 16.204 6.963 1.00 0.00 O ATOM 1009 CB LYS A 420 5.387 15.076 6.642 1.00 0.00 C ATOM 1010 CG LYS A 420 5.352 15.861 7.936 1.00 0.00 C ATOM 1011 CD LYS A 420 4.183 15.442 8.812 1.00 0.00 C ATOM 1012 CE LYS A 420 4.150 16.232 10.110 1.00 0.00 C ATOM 1013 NZ LYS A 420 5.388 16.034 10.914 1.00 0.00 N ATOM 0 H LYS A 420 5.707 14.030 4.460 1.00 0.00 H new ATOM 0 HA LYS A 420 6.464 16.523 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 420 4.447 15.224 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 420 5.459 14.013 6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.286 15.712 8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 420 5.278 16.926 7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 420 3.249 15.591 8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 420 4.256 14.377 9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 420 4.028 17.292 9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 420 3.283 15.928 10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 5.235 16.387 11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 5.621 15.021 10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 6.174 16.555 10.475 1.00 0.00 H new ATOM 1027 N ASP A 421 8.334 14.011 6.470 1.00 0.00 N ATOM 1028 CA ASP A 421 9.591 13.672 7.128 1.00 0.00 C ATOM 1029 C ASP A 421 10.748 14.470 6.533 1.00 0.00 C ATOM 1030 O ASP A 421 11.541 15.067 7.262 1.00 0.00 O ATOM 1031 CB ASP A 421 9.867 12.172 7.001 1.00 0.00 C ATOM 1032 CG ASP A 421 11.128 11.745 7.731 1.00 0.00 C ATOM 1033 OD1 ASP A 421 12.221 12.226 7.364 1.00 0.00 O ATOM 1034 OD2 ASP A 421 11.021 10.931 8.672 1.00 0.00 O ATOM 0 H ASP A 421 7.855 13.218 6.044 1.00 0.00 H new ATOM 0 HA ASP A 421 9.503 13.929 8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 421 9.017 11.616 7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 421 9.956 11.911 5.946 1.00 0.00 H new ATOM 1039 N GLY A 422 10.837 14.478 5.207 1.00 0.00 N ATOM 1040 CA GLY A 422 11.901 15.208 4.543 1.00 0.00 C ATOM 1041 C GLY A 422 11.869 15.052 3.036 1.00 0.00 C ATOM 1042 O GLY A 422 10.803 15.102 2.421 1.00 0.00 O ATOM 0 H GLY A 422 10.193 13.993 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 422 11.823 16.265 4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 422 12.863 14.861 4.919 1.00 0.00 H new ATOM 1046 N LYS A 423 13.044 14.865 2.440 1.00 0.00 N ATOM 1047 CA LYS A 423 13.158 14.703 0.995 1.00 0.00 C ATOM 1048 C LYS A 423 12.483 13.415 0.534 1.00 0.00 C ATOM 1049 O LYS A 423 12.678 12.355 1.128 1.00 0.00 O ATOM 1050 CB LYS A 423 14.632 14.693 0.580 1.00 0.00 C ATOM 1051 CG LYS A 423 15.420 15.891 1.088 1.00 0.00 C ATOM 1052 CD LYS A 423 14.883 17.198 0.526 1.00 0.00 C ATOM 1053 CE LYS A 423 15.650 18.393 1.069 1.00 0.00 C ATOM 1054 NZ LYS A 423 17.098 18.324 0.729 1.00 0.00 N ATOM 0 H LYS A 423 13.933 14.822 2.938 1.00 0.00 H new ATOM 0 HA LYS A 423 12.655 15.545 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 423 15.098 13.780 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 423 14.694 14.664 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 423 15.378 15.919 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 423 16.469 15.780 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 423 14.952 17.183 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 423 13.827 17.297 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 423 15.225 19.312 0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 423 15.533 18.438 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 17.543 19.245 0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 17.556 17.592 1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 17.207 18.087 -0.278 1.00 0.00 H new ATOM 1068 N THR A 424 11.692 13.513 -0.531 1.00 0.00 N ATOM 1069 CA THR A 424 10.994 12.352 -1.072 1.00 0.00 C ATOM 1070 C THR A 424 11.982 11.333 -1.630 1.00 0.00 C ATOM 1071 O THR A 424 11.889 10.140 -1.339 1.00 0.00 O ATOM 1072 CB THR A 424 10.007 12.755 -2.184 1.00 0.00 C ATOM 1073 OG1 THR A 424 10.703 13.437 -3.234 1.00 0.00 O ATOM 1074 CG2 THR A 424 8.906 13.649 -1.634 1.00 0.00 C ATOM 0 H THR A 424 11.519 14.383 -1.035 1.00 0.00 H new ATOM 0 HA THR A 424 10.436 11.905 -0.249 1.00 0.00 H new ATOM 0 HB THR A 424 9.551 11.848 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 424 10.069 13.688 -3.938 1.00 0.00 H new ATOM 0 HG21 THR A 424 8.222 13.920 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 424 8.359 13.116 -0.856 1.00 0.00 H new ATOM 0 HG23 THR A 424 9.347 14.552 -1.213 1.00 0.00 H new ATOM 1082 N GLY A 425 12.929 11.813 -2.430 1.00 0.00 N ATOM 1083 CA GLY A 425 13.925 10.934 -3.015 1.00 0.00 C ATOM 1084 C GLY A 425 14.833 11.655 -3.992 1.00 0.00 C ATOM 1085 O GLY A 425 15.138 11.135 -5.066 1.00 0.00 O ATOM 0 H GLY A 425 13.024 12.796 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 425 14.528 10.494 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 425 13.424 10.113 -3.528 1.00 0.00 H new ATOM 1089 N ASN A 426 15.265 12.857 -3.621 1.00 0.00 N ATOM 1090 CA ASN A 426 16.142 13.652 -4.474 1.00 0.00 C ATOM 1091 C ASN A 426 17.495 12.969 -4.656 1.00 0.00 C ATOM 1092 O ASN A 426 18.125 12.548 -3.686 1.00 0.00 O ATOM 1093 CB ASN A 426 16.339 15.048 -3.881 1.00 0.00 C ATOM 1094 CG ASN A 426 15.038 15.819 -3.778 1.00 0.00 C ATOM 1095 OD1 ASN A 426 14.687 16.227 -2.564 1.00 0.00 O flip ATOM 1096 ND2 ASN A 426 14.358 16.048 -4.778 1.00 0.00 N flip ATOM 0 H ASN A 426 15.022 13.301 -2.736 1.00 0.00 H new ATOM 0 HA ASN A 426 15.668 13.743 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 426 16.786 14.960 -2.891 1.00 0.00 H new ATOM 0 HB3 ASN A 426 17.042 15.607 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 426 14.666 15.715 -5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 426 13.486 16.571 -4.693 1.00 0.00 H new ATOM 1103 N THR A 427 17.934 12.867 -5.907 1.00 0.00 N ATOM 1104 CA THR A 427 19.212 12.239 -6.221 1.00 0.00 C ATOM 1105 C THR A 427 20.379 13.066 -5.688 1.00 0.00 C ATOM 1106 O THR A 427 20.367 14.295 -5.767 1.00 0.00 O ATOM 1107 CB THR A 427 19.384 12.039 -7.739 1.00 0.00 C ATOM 1108 OG1 THR A 427 20.662 11.455 -8.016 1.00 0.00 O ATOM 1109 CG2 THR A 427 19.253 13.361 -8.482 1.00 0.00 C ATOM 0 H THR A 427 17.423 13.212 -6.720 1.00 0.00 H new ATOM 0 HA THR A 427 19.212 11.264 -5.734 1.00 0.00 H new ATOM 0 HB THR A 427 18.596 11.369 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 427 20.762 11.330 -8.983 1.00 0.00 H new ATOM 0 HG21 THR A 427 19.379 13.191 -9.551 1.00 0.00 H new ATOM 0 HG22 THR A 427 18.267 13.787 -8.295 1.00 0.00 H new ATOM 0 HG23 THR A 427 20.019 14.053 -8.132 1.00 0.00 H new ATOM 1117 N ASN A 428 21.386 12.382 -5.149 1.00 0.00 N ATOM 1118 CA ASN A 428 22.562 13.045 -4.604 1.00 0.00 C ATOM 1119 C ASN A 428 23.603 12.026 -4.150 1.00 0.00 C ATOM 1120 O ASN A 428 24.784 12.145 -4.476 1.00 0.00 O ATOM 1121 CB ASN A 428 22.174 13.950 -3.432 1.00 0.00 C ATOM 1122 CG ASN A 428 23.370 14.657 -2.824 1.00 0.00 C ATOM 1123 OD1 ASN A 428 24.066 15.417 -3.498 1.00 0.00 O ATOM 1124 ND2 ASN A 428 23.616 14.410 -1.542 1.00 0.00 N ATOM 0 H ASN A 428 21.408 11.365 -5.079 1.00 0.00 H new ATOM 0 HA ASN A 428 22.997 13.656 -5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 428 21.452 14.692 -3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 428 21.680 13.354 -2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 428 24.407 14.857 -1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 428 23.014 13.773 -1.021 1.00 0.00 H new ATOM 1131 N THR A 429 23.157 11.026 -3.396 1.00 0.00 N ATOM 1132 CA THR A 429 24.054 9.988 -2.899 1.00 0.00 C ATOM 1133 C THR A 429 24.631 9.165 -4.045 1.00 0.00 C ATOM 1134 O THR A 429 23.903 8.749 -4.947 1.00 0.00 O ATOM 1135 CB THR A 429 23.338 9.044 -1.912 1.00 0.00 C ATOM 1136 OG1 THR A 429 24.234 8.009 -1.490 1.00 0.00 O ATOM 1137 CG2 THR A 429 22.102 8.426 -2.548 1.00 0.00 C ATOM 0 H THR A 429 22.183 10.912 -3.116 1.00 0.00 H new ATOM 0 HA THR A 429 24.864 10.497 -2.376 1.00 0.00 H new ATOM 0 HB THR A 429 23.024 9.629 -1.047 1.00 0.00 H new ATOM 0 HG1 THR A 429 23.774 7.414 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 429 21.616 7.765 -1.831 1.00 0.00 H new ATOM 0 HG22 THR A 429 21.410 9.216 -2.841 1.00 0.00 H new ATOM 0 HG23 THR A 429 22.393 7.854 -3.429 1.00 0.00 H new ATOM 1145 N THR A 430 25.945 8.937 -3.994 1.00 0.00 N ATOM 1146 CA THR A 430 26.653 8.164 -5.016 1.00 0.00 C ATOM 1147 C THR A 430 26.820 8.958 -6.312 1.00 0.00 C ATOM 1148 O THR A 430 27.892 8.950 -6.916 1.00 0.00 O ATOM 1149 CB THR A 430 25.938 6.833 -5.326 1.00 0.00 C ATOM 1150 OG1 THR A 430 25.808 6.057 -4.129 1.00 0.00 O ATOM 1151 CG2 THR A 430 26.708 6.036 -6.369 1.00 0.00 C ATOM 0 H THR A 430 26.546 9.282 -3.246 1.00 0.00 H new ATOM 0 HA THR A 430 27.638 7.947 -4.604 1.00 0.00 H new ATOM 0 HB THR A 430 24.948 7.061 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 430 25.352 5.214 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 430 26.185 5.101 -6.572 1.00 0.00 H new ATOM 0 HG22 THR A 430 26.783 6.617 -7.288 1.00 0.00 H new ATOM 0 HG23 THR A 430 27.708 5.818 -5.995 1.00 0.00 H new ATOM 1159 N GLY A 431 25.758 9.637 -6.738 1.00 0.00 N ATOM 1160 CA GLY A 431 25.818 10.413 -7.961 1.00 0.00 C ATOM 1161 C GLY A 431 25.688 9.543 -9.192 1.00 0.00 C ATOM 1162 O GLY A 431 26.301 8.478 -9.272 1.00 0.00 O ATOM 0 H GLY A 431 24.859 9.663 -6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 431 25.022 11.157 -7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 431 26.762 10.957 -7.999 1.00 0.00 H new ATOM 1166 N SER A 432 24.884 9.991 -10.150 1.00 0.00 N ATOM 1167 CA SER A 432 24.675 9.237 -11.378 1.00 0.00 C ATOM 1168 C SER A 432 26.002 8.946 -12.069 1.00 0.00 C ATOM 1169 O SER A 432 26.653 9.849 -12.595 1.00 0.00 O ATOM 1170 CB SER A 432 23.750 10.005 -12.323 1.00 0.00 C ATOM 1171 OG SER A 432 22.475 10.205 -11.738 1.00 0.00 O ATOM 0 H SER A 432 24.368 10.870 -10.099 1.00 0.00 H new ATOM 0 HA SER A 432 24.207 8.288 -11.117 1.00 0.00 H new ATOM 0 HB2 SER A 432 24.196 10.969 -12.569 1.00 0.00 H new ATOM 0 HB3 SER A 432 23.642 9.455 -13.258 1.00 0.00 H new ATOM 0 HG SER A 432 21.903 10.700 -12.361 1.00 0.00 H new ATOM 1177 N SER A 433 26.394 7.677 -12.061 1.00 0.00 N ATOM 1178 CA SER A 433 27.643 7.253 -12.684 1.00 0.00 C ATOM 1179 C SER A 433 27.620 7.517 -14.186 1.00 0.00 C ATOM 1180 O SER A 433 28.698 7.447 -14.814 1.00 0.00 O ATOM 1181 CB SER A 433 27.887 5.767 -12.419 1.00 0.00 C ATOM 1182 OG SER A 433 29.091 5.331 -13.027 1.00 0.00 O ATOM 1183 OXT SER A 433 26.526 7.789 -14.723 1.00 0.00 O ATOM 0 H SER A 433 25.863 6.921 -11.628 1.00 0.00 H new ATOM 0 HA SER A 433 28.455 7.833 -12.245 1.00 0.00 H new ATOM 0 HB2 SER A 433 27.933 5.589 -11.345 1.00 0.00 H new ATOM 0 HB3 SER A 433 27.050 5.184 -12.803 1.00 0.00 H new ATOM 0 HG SER A 433 29.257 5.857 -13.837 1.00 0.00 H new TER 1189 SER A 433