USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HE2:sc= 0.129 K(o=0.27,f=-0.58) USER MOD Set 1.2: A 405 THR OG1 : rot -85:sc= 0.137 USER MOD Set 2.1: A 373 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Set 2.2: A 391 SER OG : rot -140:sc= 0 USER MOD Single : A 355 SER OG : rot 180:sc= -0.34 USER MOD Single : A 356 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 357 MET CE :methyl -159:sc= -0.229 (180deg=-0.852) USER MOD Single : A 362 THR OG1 : rot -61:sc= 0.965 USER MOD Single : A 363 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.3!) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 365 HIS : no HD1:sc= -0.382 K(o=-0.38,f=-1.5) USER MOD Single : A 366 LYS NZ :NH3+ -165:sc= -0.0757 (180deg=-0.352) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot -172:sc= 0.00522 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.49 F(o=-5.7!,f=-1.5) USER MOD Single : A 383 LYS NZ :NH3+ -176:sc= 0.0239 (180deg=0.0176) USER MOD Single : A 384 LYS NZ :NH3+ -128:sc= -0.0187 (180deg=-1.94!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= -0.066 X(o=-0.066,f=-0.063) USER MOD Single : A 390 LYS NZ :NH3+ -175:sc= -0.3 (180deg=-0.342) USER MOD Single : A 394 LYS NZ :NH3+ -165:sc= -0.0249 (180deg=-0.243) USER MOD Single : A 397 ASN : amide:sc= -0.422 K(o=-0.42,f=-2.2!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.622 F(o=-4.2!,f=-0.62) USER MOD Single : A 402 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.304) USER MOD Single : A 403 LYS NZ :NH3+ -168:sc= -0.0333 (180deg=-0.184) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ -171:sc=-0.00976 (180deg=-0.0986) USER MOD Single : A 413 LYS NZ :NH3+ 157:sc= 0.274 (180deg=0.104) USER MOD Single : A 418 THR OG1 : rot 8:sc= 0.671 USER MOD Single : A 420 LYS NZ :NH3+ -163:sc= -0.0534 (180deg=-0.393) USER MOD Single : A 423 LYS NZ :NH3+ -166:sc= -0.0309 (180deg=-0.228) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= 0.0559 K(o=0.056,f=-2.5!) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.4!) USER MOD Single : A 429 THR OG1 : rot 180:sc= -2.09! USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot -60:sc= 0.259 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 25.566 -5.811 -3.885 1.00 0.00 N ATOM 2 CA GLY A 354 24.318 -6.499 -3.455 1.00 0.00 C ATOM 3 C GLY A 354 23.224 -6.429 -4.502 1.00 0.00 C ATOM 4 O GLY A 354 23.481 -6.619 -5.691 1.00 0.00 O ATOM 0 HA2 GLY A 354 24.540 -7.543 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 354 23.960 -6.049 -2.529 1.00 0.00 H new ATOM 10 N SER A 355 22.000 -6.159 -4.058 1.00 0.00 N ATOM 11 CA SER A 355 20.856 -6.066 -4.961 1.00 0.00 C ATOM 12 C SER A 355 20.812 -4.706 -5.657 1.00 0.00 C ATOM 13 O SER A 355 19.744 -4.109 -5.807 1.00 0.00 O ATOM 14 CB SER A 355 19.556 -6.306 -4.191 1.00 0.00 C ATOM 15 OG SER A 355 18.434 -6.269 -5.055 1.00 0.00 O ATOM 0 H SER A 355 21.774 -6.000 -3.076 1.00 0.00 H new ATOM 0 HA SER A 355 20.965 -6.835 -5.726 1.00 0.00 H new ATOM 0 HB2 SER A 355 19.600 -7.273 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 355 19.445 -5.549 -3.414 1.00 0.00 H new ATOM 0 HG SER A 355 17.617 -6.427 -4.537 1.00 0.00 H new ATOM 21 N HIS A 356 21.974 -4.223 -6.083 1.00 0.00 N ATOM 22 CA HIS A 356 22.065 -2.937 -6.763 1.00 0.00 C ATOM 23 C HIS A 356 21.389 -2.999 -8.131 1.00 0.00 C ATOM 24 O HIS A 356 21.614 -3.935 -8.900 1.00 0.00 O ATOM 25 CB HIS A 356 23.530 -2.525 -6.921 1.00 0.00 C ATOM 26 CG HIS A 356 23.712 -1.165 -7.520 1.00 0.00 C ATOM 27 ND1 HIS A 356 23.227 -0.014 -6.936 1.00 0.00 N ATOM 28 CD2 HIS A 356 24.338 -0.773 -8.656 1.00 0.00 C ATOM 29 CE1 HIS A 356 23.545 1.025 -7.688 1.00 0.00 C ATOM 30 NE2 HIS A 356 24.219 0.591 -8.736 1.00 0.00 N ATOM 0 H HIS A 356 22.867 -4.703 -5.969 1.00 0.00 H new ATOM 0 HA HIS A 356 21.550 -2.192 -6.156 1.00 0.00 H new ATOM 0 HB2 HIS A 356 24.012 -2.549 -5.944 1.00 0.00 H new ATOM 0 HB3 HIS A 356 24.039 -3.259 -7.546 1.00 0.00 H new ATOM 0 HD2 HIS A 356 24.838 -1.415 -9.366 1.00 0.00 H new ATOM 0 HE1 HIS A 356 23.295 2.055 -7.480 1.00 0.00 H new ATOM 0 HE2 HIS A 356 24.591 1.175 -9.485 1.00 0.00 H new ATOM 39 N MET A 357 20.564 -1.997 -8.427 1.00 0.00 N ATOM 40 CA MET A 357 19.857 -1.932 -9.702 1.00 0.00 C ATOM 41 C MET A 357 19.006 -3.187 -9.913 1.00 0.00 C ATOM 42 O MET A 357 19.064 -3.826 -10.965 1.00 0.00 O ATOM 43 CB MET A 357 20.856 -1.761 -10.852 1.00 0.00 C ATOM 44 CG MET A 357 20.204 -1.487 -12.199 1.00 0.00 C ATOM 45 SD MET A 357 21.407 -1.318 -13.530 1.00 0.00 S ATOM 46 CE MET A 357 22.377 0.067 -12.937 1.00 0.00 C ATOM 0 H MET A 357 20.369 -1.218 -7.799 1.00 0.00 H new ATOM 0 HA MET A 357 19.192 -1.069 -9.686 1.00 0.00 H new ATOM 0 HB2 MET A 357 21.533 -0.941 -10.613 1.00 0.00 H new ATOM 0 HB3 MET A 357 21.463 -2.663 -10.930 1.00 0.00 H new ATOM 0 HG2 MET A 357 19.516 -2.298 -12.437 1.00 0.00 H new ATOM 0 HG3 MET A 357 19.611 -0.575 -12.132 1.00 0.00 H new ATOM 0 HE1 MET A 357 22.900 0.530 -13.774 1.00 0.00 H new ATOM 0 HE2 MET A 357 21.718 0.800 -12.471 1.00 0.00 H new ATOM 0 HE3 MET A 357 23.104 -0.285 -12.205 1.00 0.00 H new ATOM 56 N LEU A 358 18.224 -3.537 -8.897 1.00 0.00 N ATOM 57 CA LEU A 358 17.364 -4.715 -8.958 1.00 0.00 C ATOM 58 C LEU A 358 16.320 -4.581 -10.064 1.00 0.00 C ATOM 59 O LEU A 358 15.739 -3.513 -10.260 1.00 0.00 O ATOM 60 CB LEU A 358 16.671 -4.954 -7.608 1.00 0.00 C ATOM 61 CG LEU A 358 15.596 -3.933 -7.218 1.00 0.00 C ATOM 62 CD1 LEU A 358 14.885 -4.373 -5.947 1.00 0.00 C ATOM 63 CD2 LEU A 358 16.201 -2.549 -7.029 1.00 0.00 C ATOM 0 H LEU A 358 18.168 -3.021 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 358 17.997 -5.573 -9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 358 16.215 -5.944 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 358 17.432 -4.967 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 358 14.870 -3.880 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 358 14.125 -3.638 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 358 14.412 -5.341 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 358 15.608 -4.455 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 358 15.417 -1.844 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 358 16.952 -2.585 -6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 358 16.668 -2.226 -7.959 1.00 0.00 H new ATOM 75 N GLU A 359 16.089 -5.676 -10.785 1.00 0.00 N ATOM 76 CA GLU A 359 15.118 -5.693 -11.874 1.00 0.00 C ATOM 77 C GLU A 359 13.708 -5.421 -11.356 1.00 0.00 C ATOM 78 O GLU A 359 13.315 -5.925 -10.305 1.00 0.00 O ATOM 79 CB GLU A 359 15.154 -7.042 -12.596 1.00 0.00 C ATOM 80 CG GLU A 359 16.506 -7.375 -13.209 1.00 0.00 C ATOM 81 CD GLU A 359 16.918 -6.399 -14.297 1.00 0.00 C ATOM 82 OE1 GLU A 359 17.085 -5.200 -13.989 1.00 0.00 O ATOM 83 OE2 GLU A 359 17.072 -6.835 -15.456 1.00 0.00 O ATOM 0 H GLU A 359 16.564 -6.566 -10.633 1.00 0.00 H new ATOM 0 HA GLU A 359 15.386 -4.903 -12.575 1.00 0.00 H new ATOM 0 HB2 GLU A 359 14.882 -7.828 -11.892 1.00 0.00 H new ATOM 0 HB3 GLU A 359 14.399 -7.043 -13.382 1.00 0.00 H new ATOM 0 HG2 GLU A 359 17.264 -7.379 -12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 359 16.473 -8.382 -13.625 1.00 0.00 H new ATOM 90 N VAL A 360 12.953 -4.620 -12.103 1.00 0.00 N ATOM 91 CA VAL A 360 11.586 -4.279 -11.721 1.00 0.00 C ATOM 92 C VAL A 360 10.710 -5.526 -11.628 1.00 0.00 C ATOM 93 O VAL A 360 10.794 -6.421 -12.470 1.00 0.00 O ATOM 94 CB VAL A 360 10.955 -3.288 -12.718 1.00 0.00 C ATOM 95 CG1 VAL A 360 11.745 -1.989 -12.751 1.00 0.00 C ATOM 96 CG2 VAL A 360 10.873 -3.901 -14.107 1.00 0.00 C ATOM 0 H VAL A 360 13.265 -4.195 -12.976 1.00 0.00 H new ATOM 0 HA VAL A 360 11.640 -3.808 -10.740 1.00 0.00 H new ATOM 0 HB VAL A 360 9.942 -3.065 -12.384 1.00 0.00 H new ATOM 0 HG11 VAL A 360 11.285 -1.301 -13.460 1.00 0.00 H new ATOM 0 HG12 VAL A 360 11.747 -1.539 -11.758 1.00 0.00 H new ATOM 0 HG13 VAL A 360 12.770 -2.195 -13.058 1.00 0.00 H new ATOM 0 HG21 VAL A 360 10.424 -3.184 -14.795 1.00 0.00 H new ATOM 0 HG22 VAL A 360 11.875 -4.157 -14.452 1.00 0.00 H new ATOM 0 HG23 VAL A 360 10.261 -4.802 -14.071 1.00 0.00 H new ATOM 106 N LEU A 361 9.873 -5.577 -10.596 1.00 0.00 N ATOM 107 CA LEU A 361 8.981 -6.714 -10.386 1.00 0.00 C ATOM 108 C LEU A 361 7.954 -6.818 -11.511 1.00 0.00 C ATOM 109 O LEU A 361 7.341 -5.824 -11.899 1.00 0.00 O ATOM 110 CB LEU A 361 8.270 -6.604 -9.034 1.00 0.00 C ATOM 111 CG LEU A 361 9.167 -6.781 -7.802 1.00 0.00 C ATOM 112 CD1 LEU A 361 10.166 -5.639 -7.687 1.00 0.00 C ATOM 113 CD2 LEU A 361 8.323 -6.880 -6.541 1.00 0.00 C ATOM 0 H LEU A 361 9.793 -4.844 -9.891 1.00 0.00 H new ATOM 0 HA LEU A 361 9.589 -7.619 -10.388 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.788 -5.628 -8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.479 -7.353 -8.997 1.00 0.00 H new ATOM 0 HG LEU A 361 9.727 -7.709 -7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 361 10.790 -5.788 -6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.795 -5.615 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.630 -4.694 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 361 8.974 -7.005 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.736 -5.969 -6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 361 7.653 -7.736 -6.618 1.00 0.00 H new ATOM 125 N THR A 362 7.778 -8.035 -12.023 1.00 0.00 N ATOM 126 CA THR A 362 6.831 -8.293 -13.105 1.00 0.00 C ATOM 127 C THR A 362 6.875 -9.763 -13.521 1.00 0.00 C ATOM 128 O THR A 362 6.935 -10.085 -14.707 1.00 0.00 O ATOM 129 CB THR A 362 7.123 -7.407 -14.334 1.00 0.00 C ATOM 130 OG1 THR A 362 6.203 -7.709 -15.390 1.00 0.00 O ATOM 131 CG2 THR A 362 8.551 -7.606 -14.821 1.00 0.00 C ATOM 0 H THR A 362 8.282 -8.862 -11.703 1.00 0.00 H new ATOM 0 HA THR A 362 5.837 -8.051 -12.729 1.00 0.00 H new ATOM 0 HB THR A 362 7.001 -6.365 -14.038 1.00 0.00 H new ATOM 0 HG1 THR A 362 6.301 -8.649 -15.651 1.00 0.00 H new ATOM 0 HG21 THR A 362 8.732 -6.970 -15.688 1.00 0.00 H new ATOM 0 HG22 THR A 362 9.247 -7.341 -14.025 1.00 0.00 H new ATOM 0 HG23 THR A 362 8.698 -8.650 -15.099 1.00 0.00 H new ATOM 139 N GLN A 363 6.849 -10.652 -12.533 1.00 0.00 N ATOM 140 CA GLN A 363 6.892 -12.088 -12.789 1.00 0.00 C ATOM 141 C GLN A 363 5.970 -12.844 -11.838 1.00 0.00 C ATOM 142 O GLN A 363 6.399 -13.761 -11.136 1.00 0.00 O ATOM 143 CB GLN A 363 8.325 -12.609 -12.654 1.00 0.00 C ATOM 144 CG GLN A 363 9.266 -12.104 -13.737 1.00 0.00 C ATOM 145 CD GLN A 363 8.911 -12.639 -15.112 1.00 0.00 C ATOM 146 OE1 GLN A 363 7.825 -12.386 -15.631 1.00 0.00 O ATOM 147 NE2 GLN A 363 9.832 -13.386 -15.710 1.00 0.00 N ATOM 0 H GLN A 363 6.798 -10.403 -11.545 1.00 0.00 H new ATOM 0 HA GLN A 363 6.545 -12.258 -13.808 1.00 0.00 H new ATOM 0 HB2 GLN A 363 8.717 -12.317 -11.680 1.00 0.00 H new ATOM 0 HB3 GLN A 363 8.309 -13.699 -12.678 1.00 0.00 H new ATOM 0 HG2 GLN A 363 9.240 -11.014 -13.757 1.00 0.00 H new ATOM 0 HG3 GLN A 363 10.287 -12.394 -13.490 1.00 0.00 H new ATOM 0 HE21 GLN A 363 10.720 -13.571 -15.244 1.00 0.00 H new ATOM 0 HE22 GLN A 363 9.651 -13.774 -16.636 1.00 0.00 H new ATOM 156 N LYS A 364 4.698 -12.459 -11.828 1.00 0.00 N ATOM 157 CA LYS A 364 3.705 -13.100 -10.974 1.00 0.00 C ATOM 158 C LYS A 364 2.330 -13.058 -11.630 1.00 0.00 C ATOM 159 O LYS A 364 1.504 -12.203 -11.312 1.00 0.00 O ATOM 160 CB LYS A 364 3.644 -12.414 -9.604 1.00 0.00 C ATOM 161 CG LYS A 364 4.927 -12.537 -8.795 1.00 0.00 C ATOM 162 CD LYS A 364 4.789 -11.883 -7.427 1.00 0.00 C ATOM 163 CE LYS A 364 3.724 -12.566 -6.584 1.00 0.00 C ATOM 164 NZ LYS A 364 3.583 -11.932 -5.244 1.00 0.00 N ATOM 0 H LYS A 364 4.330 -11.703 -12.405 1.00 0.00 H new ATOM 0 HA LYS A 364 4.002 -14.140 -10.835 1.00 0.00 H new ATOM 0 HB2 LYS A 364 3.416 -11.358 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 364 2.822 -12.842 -9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 364 5.181 -13.590 -8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 364 5.748 -12.072 -9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 364 5.746 -11.922 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 364 4.536 -10.830 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 364 2.768 -12.527 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 364 3.978 -13.619 -6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 2.847 -12.427 -4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 4.488 -11.992 -4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 3.315 -10.934 -5.359 1.00 0.00 H new ATOM 178 N HIS A 365 2.098 -13.988 -12.552 1.00 0.00 N ATOM 179 CA HIS A 365 0.827 -14.065 -13.263 1.00 0.00 C ATOM 180 C HIS A 365 0.546 -12.759 -14.006 1.00 0.00 C ATOM 181 O HIS A 365 1.438 -12.201 -14.647 1.00 0.00 O ATOM 182 CB HIS A 365 -0.307 -14.382 -12.284 1.00 0.00 C ATOM 183 CG HIS A 365 -0.120 -15.672 -11.548 1.00 0.00 C ATOM 184 ND1 HIS A 365 0.965 -15.926 -10.735 1.00 0.00 N ATOM 185 CD2 HIS A 365 -0.890 -16.786 -11.504 1.00 0.00 C ATOM 186 CE1 HIS A 365 0.856 -17.139 -10.224 1.00 0.00 C ATOM 187 NE2 HIS A 365 -0.260 -17.681 -10.674 1.00 0.00 N ATOM 0 H HIS A 365 2.776 -14.700 -12.824 1.00 0.00 H new ATOM 0 HA HIS A 365 0.888 -14.868 -13.998 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -0.390 -13.570 -11.562 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -1.249 -14.419 -12.832 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -1.824 -16.941 -12.024 1.00 0.00 H new ATOM 0 HE1 HIS A 365 1.560 -17.608 -9.552 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -0.600 -18.614 -10.443 1.00 0.00 H new ATOM 196 N LYS A 366 -0.691 -12.271 -13.917 1.00 0.00 N ATOM 197 CA LYS A 366 -1.069 -11.029 -14.581 1.00 0.00 C ATOM 198 C LYS A 366 -0.226 -9.872 -14.042 1.00 0.00 C ATOM 199 O LYS A 366 -0.179 -9.643 -12.834 1.00 0.00 O ATOM 200 CB LYS A 366 -2.565 -10.758 -14.365 1.00 0.00 C ATOM 201 CG LYS A 366 -3.138 -9.643 -15.231 1.00 0.00 C ATOM 202 CD LYS A 366 -2.713 -8.265 -14.748 1.00 0.00 C ATOM 203 CE LYS A 366 -3.280 -7.167 -15.631 1.00 0.00 C ATOM 204 NZ LYS A 366 -2.842 -7.314 -17.046 1.00 0.00 N ATOM 0 H LYS A 366 -1.444 -12.717 -13.393 1.00 0.00 H new ATOM 0 HA LYS A 366 -0.884 -11.121 -15.651 1.00 0.00 H new ATOM 0 HB2 LYS A 366 -3.119 -11.675 -14.563 1.00 0.00 H new ATOM 0 HB3 LYS A 366 -2.728 -10.507 -13.317 1.00 0.00 H new ATOM 0 HG2 LYS A 366 -2.812 -9.782 -16.262 1.00 0.00 H new ATOM 0 HG3 LYS A 366 -4.226 -9.707 -15.230 1.00 0.00 H new ATOM 0 HD2 LYS A 366 -3.049 -8.118 -13.722 1.00 0.00 H new ATOM 0 HD3 LYS A 366 -1.625 -8.201 -14.739 1.00 0.00 H new ATOM 0 HE2 LYS A 366 -4.369 -7.188 -15.583 1.00 0.00 H new ATOM 0 HE3 LYS A 366 -2.963 -6.196 -15.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 -3.028 -6.430 -17.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 -1.824 -7.523 -17.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 -3.368 -8.092 -17.493 1.00 0.00 H new ATOM 218 N PRO A 367 0.454 -9.125 -14.934 1.00 0.00 N ATOM 219 CA PRO A 367 1.295 -7.994 -14.534 1.00 0.00 C ATOM 220 C PRO A 367 0.480 -6.778 -14.112 1.00 0.00 C ATOM 221 O PRO A 367 -0.432 -6.353 -14.822 1.00 0.00 O ATOM 222 CB PRO A 367 2.095 -7.691 -15.791 1.00 0.00 C ATOM 223 CG PRO A 367 1.225 -8.134 -16.909 1.00 0.00 C ATOM 224 CD PRO A 367 0.459 -9.323 -16.397 1.00 0.00 C ATOM 0 HA PRO A 367 1.910 -8.232 -13.666 1.00 0.00 H new ATOM 0 HB2 PRO A 367 2.326 -6.628 -15.866 1.00 0.00 H new ATOM 0 HB3 PRO A 367 3.045 -8.225 -15.794 1.00 0.00 H new ATOM 0 HG2 PRO A 367 0.548 -7.337 -17.215 1.00 0.00 H new ATOM 0 HG3 PRO A 367 1.819 -8.400 -17.783 1.00 0.00 H new ATOM 0 HD2 PRO A 367 -0.553 -9.353 -16.801 1.00 0.00 H new ATOM 0 HD3 PRO A 367 0.941 -10.261 -16.674 1.00 0.00 H new ATOM 232 N ALA A 368 0.817 -6.220 -12.954 1.00 0.00 N ATOM 233 CA ALA A 368 0.117 -5.050 -12.434 1.00 0.00 C ATOM 234 C ALA A 368 0.832 -4.479 -11.216 1.00 0.00 C ATOM 235 O ALA A 368 0.191 -4.120 -10.232 1.00 0.00 O ATOM 236 CB ALA A 368 -1.315 -5.411 -12.073 1.00 0.00 C ATOM 0 H ALA A 368 1.571 -6.559 -12.357 1.00 0.00 H new ATOM 0 HA ALA A 368 0.109 -4.289 -13.214 1.00 0.00 H new ATOM 0 HB1 ALA A 368 -1.826 -4.529 -11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 368 -1.834 -5.771 -12.961 1.00 0.00 H new ATOM 0 HB3 ALA A 368 -1.313 -6.192 -11.312 1.00 0.00 H new ATOM 242 N GLU A 369 2.163 -4.408 -11.305 1.00 0.00 N ATOM 243 CA GLU A 369 3.022 -3.888 -10.233 1.00 0.00 C ATOM 244 C GLU A 369 2.705 -4.518 -8.873 1.00 0.00 C ATOM 245 O GLU A 369 1.567 -4.498 -8.404 1.00 0.00 O ATOM 246 CB GLU A 369 2.948 -2.354 -10.148 1.00 0.00 C ATOM 247 CG GLU A 369 1.607 -1.806 -9.687 1.00 0.00 C ATOM 248 CD GLU A 369 1.588 -0.291 -9.623 1.00 0.00 C ATOM 249 OE1 GLU A 369 2.394 0.282 -8.860 1.00 0.00 O ATOM 250 OE2 GLU A 369 0.768 0.322 -10.338 1.00 0.00 O ATOM 0 H GLU A 369 2.681 -4.712 -12.130 1.00 0.00 H new ATOM 0 HA GLU A 369 4.043 -4.170 -10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 369 3.722 -2.004 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 369 3.177 -1.938 -11.129 1.00 0.00 H new ATOM 0 HG2 GLU A 369 0.826 -2.147 -10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 369 1.372 -2.211 -8.703 1.00 0.00 H new ATOM 257 N SER A 370 3.734 -5.073 -8.242 1.00 0.00 N ATOM 258 CA SER A 370 3.589 -5.710 -6.935 1.00 0.00 C ATOM 259 C SER A 370 2.884 -4.782 -5.949 1.00 0.00 C ATOM 260 O SER A 370 3.086 -3.569 -5.970 1.00 0.00 O ATOM 261 CB SER A 370 4.959 -6.109 -6.385 1.00 0.00 C ATOM 262 OG SER A 370 4.839 -6.747 -5.125 1.00 0.00 O ATOM 0 H SER A 370 4.683 -5.095 -8.616 1.00 0.00 H new ATOM 0 HA SER A 370 2.980 -6.605 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 370 5.456 -6.777 -7.088 1.00 0.00 H new ATOM 0 HB3 SER A 370 5.587 -5.224 -6.289 1.00 0.00 H new ATOM 0 HG SER A 370 5.729 -6.993 -4.797 1.00 0.00 H new ATOM 268 N GLN A 371 2.051 -5.367 -5.092 1.00 0.00 N ATOM 269 CA GLN A 371 1.304 -4.601 -4.099 1.00 0.00 C ATOM 270 C GLN A 371 2.234 -3.755 -3.233 1.00 0.00 C ATOM 271 O GLN A 371 3.264 -4.234 -2.756 1.00 0.00 O ATOM 272 CB GLN A 371 0.481 -5.541 -3.216 1.00 0.00 C ATOM 273 CG GLN A 371 1.317 -6.586 -2.493 1.00 0.00 C ATOM 274 CD GLN A 371 0.475 -7.521 -1.647 1.00 0.00 C ATOM 275 OE1 GLN A 371 -0.203 -7.091 -0.714 1.00 0.00 O ATOM 276 NE2 GLN A 371 0.512 -8.807 -1.972 1.00 0.00 N ATOM 0 H GLN A 371 1.876 -6.372 -5.066 1.00 0.00 H new ATOM 0 HA GLN A 371 0.633 -3.928 -4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 371 -0.063 -4.950 -2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 371 -0.263 -6.046 -3.832 1.00 0.00 H new ATOM 0 HG2 GLN A 371 1.877 -7.169 -3.225 1.00 0.00 H new ATOM 0 HG3 GLN A 371 2.048 -6.086 -1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 371 1.088 -9.119 -2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 371 -0.036 -9.483 -1.440 1.00 0.00 H new ATOM 285 N GLN A 372 1.854 -2.494 -3.033 1.00 0.00 N ATOM 286 CA GLN A 372 2.640 -1.564 -2.224 1.00 0.00 C ATOM 287 C GLN A 372 1.741 -0.488 -1.623 1.00 0.00 C ATOM 288 O GLN A 372 0.874 0.059 -2.306 1.00 0.00 O ATOM 289 CB GLN A 372 3.735 -0.901 -3.067 1.00 0.00 C ATOM 290 CG GLN A 372 4.796 -1.865 -3.575 1.00 0.00 C ATOM 291 CD GLN A 372 5.876 -1.182 -4.399 1.00 0.00 C ATOM 292 OE1 GLN A 372 5.778 0.136 -4.547 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 6.793 -1.836 -4.895 1.00 0.00 N flip ATOM 0 H GLN A 372 1.002 -2.091 -3.423 1.00 0.00 H new ATOM 0 HA GLN A 372 3.107 -2.133 -1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 372 3.272 -0.405 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 372 4.218 -0.126 -2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 372 5.259 -2.368 -2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 372 4.319 -2.636 -4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 372 6.831 -2.846 -4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 372 7.515 -1.368 -5.443 1.00 0.00 H new ATOM 302 N GLN A 373 1.952 -0.189 -0.345 1.00 0.00 N ATOM 303 CA GLN A 373 1.159 0.822 0.343 1.00 0.00 C ATOM 304 C GLN A 373 1.395 2.205 -0.257 1.00 0.00 C ATOM 305 O GLN A 373 2.248 2.962 0.210 1.00 0.00 O ATOM 306 CB GLN A 373 1.487 0.836 1.835 1.00 0.00 C ATOM 307 CG GLN A 373 0.697 1.873 2.615 1.00 0.00 C ATOM 308 CD GLN A 373 1.044 1.883 4.091 1.00 0.00 C ATOM 309 OE1 GLN A 373 2.193 2.114 4.468 1.00 0.00 O ATOM 310 NE2 GLN A 373 0.050 1.634 4.934 1.00 0.00 N ATOM 0 H GLN A 373 2.665 -0.632 0.234 1.00 0.00 H new ATOM 0 HA GLN A 373 0.107 0.567 0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.289 -0.151 2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 373 2.552 1.029 1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 373 0.887 2.861 2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.369 1.676 2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -0.887 1.448 4.577 1.00 0.00 H new ATOM 0 HE22 GLN A 373 0.223 1.629 5.939 1.00 0.00 H new ATOM 319 N ALA A 374 0.635 2.522 -1.296 1.00 0.00 N ATOM 320 CA ALA A 374 0.751 3.811 -1.971 1.00 0.00 C ATOM 321 C ALA A 374 -0.599 4.517 -2.044 1.00 0.00 C ATOM 322 O ALA A 374 -1.627 3.885 -2.283 1.00 0.00 O ATOM 323 CB ALA A 374 1.328 3.621 -3.365 1.00 0.00 C ATOM 0 H ALA A 374 -0.072 1.903 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 374 1.426 4.440 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.410 4.589 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.316 3.166 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.672 2.972 -3.945 1.00 0.00 H new ATOM 329 N ALA A 375 -0.588 5.833 -1.839 1.00 0.00 N ATOM 330 CA ALA A 375 -1.813 6.625 -1.886 1.00 0.00 C ATOM 331 C ALA A 375 -2.463 6.547 -3.265 1.00 0.00 C ATOM 332 O ALA A 375 -2.140 7.327 -4.162 1.00 0.00 O ATOM 333 CB ALA A 375 -1.519 8.072 -1.518 1.00 0.00 C ATOM 0 H ALA A 375 0.255 6.371 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.513 6.213 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -2.441 8.652 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.106 8.114 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -0.799 8.488 -2.223 1.00 0.00 H new ATOM 339 N GLU A 376 -3.377 5.595 -3.425 1.00 0.00 N ATOM 340 CA GLU A 376 -4.076 5.399 -4.688 1.00 0.00 C ATOM 341 C GLU A 376 -5.074 6.527 -4.941 1.00 0.00 C ATOM 342 O GLU A 376 -4.863 7.661 -4.511 1.00 0.00 O ATOM 343 CB GLU A 376 -4.786 4.043 -4.671 1.00 0.00 C ATOM 344 CG GLU A 376 -3.865 2.885 -4.322 1.00 0.00 C ATOM 345 CD GLU A 376 -2.757 2.696 -5.340 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.074 2.449 -6.524 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.572 2.795 -4.956 1.00 0.00 O ATOM 0 H GLU A 376 -3.651 4.944 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.349 5.413 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.603 4.078 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.231 3.862 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.426 3.058 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.450 1.968 -4.252 1.00 0.00 H new ATOM 354 N THR A 377 -6.156 6.210 -5.645 1.00 0.00 N ATOM 355 CA THR A 377 -7.186 7.191 -5.965 1.00 0.00 C ATOM 356 C THR A 377 -8.557 6.533 -5.996 1.00 0.00 C ATOM 357 O THR A 377 -8.664 5.315 -6.135 1.00 0.00 O ATOM 358 CB THR A 377 -6.916 7.863 -7.323 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.943 6.883 -8.368 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.567 8.565 -7.319 1.00 0.00 C ATOM 0 H THR A 377 -6.342 5.275 -6.007 1.00 0.00 H new ATOM 0 HA THR A 377 -7.164 7.953 -5.186 1.00 0.00 H new ATOM 0 HB THR A 377 -7.696 8.604 -7.498 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.772 7.318 -9.229 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.397 9.033 -8.289 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.556 9.328 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.779 7.838 -7.124 1.00 0.00 H new ATOM 368 N GLU A 378 -9.603 7.341 -5.843 1.00 0.00 N ATOM 369 CA GLU A 378 -10.970 6.830 -5.834 1.00 0.00 C ATOM 370 C GLU A 378 -11.207 5.880 -6.998 1.00 0.00 C ATOM 371 O GLU A 378 -11.805 4.818 -6.833 1.00 0.00 O ATOM 372 CB GLU A 378 -11.970 7.987 -5.891 1.00 0.00 C ATOM 373 CG GLU A 378 -13.421 7.544 -5.787 1.00 0.00 C ATOM 374 CD GLU A 378 -14.391 8.706 -5.861 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.384 9.422 -6.885 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.161 8.899 -4.896 1.00 0.00 O ATOM 0 H GLU A 378 -9.530 8.351 -5.724 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.116 6.277 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.753 8.684 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.831 8.531 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.641 6.840 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.568 7.012 -4.847 1.00 0.00 H new ATOM 383 N GLY A 379 -10.732 6.267 -8.172 1.00 0.00 N ATOM 384 CA GLY A 379 -10.901 5.436 -9.346 1.00 0.00 C ATOM 385 C GLY A 379 -10.199 4.101 -9.224 1.00 0.00 C ATOM 386 O GLY A 379 -10.722 3.077 -9.660 1.00 0.00 O ATOM 0 H GLY A 379 -10.232 7.142 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.964 5.268 -9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.517 5.965 -10.218 1.00 0.00 H new ATOM 390 N SER A 380 -9.011 4.110 -8.633 1.00 0.00 N ATOM 391 CA SER A 380 -8.239 2.886 -8.462 1.00 0.00 C ATOM 392 C SER A 380 -8.884 1.956 -7.439 1.00 0.00 C ATOM 393 O SER A 380 -9.064 0.768 -7.698 1.00 0.00 O ATOM 394 CB SER A 380 -6.815 3.217 -8.036 1.00 0.00 C ATOM 395 OG SER A 380 -6.052 2.039 -7.842 1.00 0.00 O ATOM 0 H SER A 380 -8.562 4.949 -8.265 1.00 0.00 H new ATOM 0 HA SER A 380 -8.219 2.370 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.341 3.840 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.834 3.797 -7.114 1.00 0.00 H new ATOM 0 HG SER A 380 -5.186 2.272 -7.447 1.00 0.00 H new ATOM 401 N CYS A 381 -9.219 2.501 -6.274 1.00 0.00 N ATOM 402 CA CYS A 381 -9.828 1.720 -5.199 1.00 0.00 C ATOM 403 C CYS A 381 -11.062 0.961 -5.674 1.00 0.00 C ATOM 404 O CYS A 381 -11.250 -0.205 -5.330 1.00 0.00 O ATOM 405 CB CYS A 381 -10.197 2.628 -4.028 1.00 0.00 C ATOM 406 SG CYS A 381 -8.776 3.484 -3.276 1.00 0.00 S ATOM 0 H CYS A 381 -9.079 3.486 -6.048 1.00 0.00 H new ATOM 0 HA CYS A 381 -9.091 0.986 -4.873 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.916 3.372 -4.371 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.695 2.032 -3.263 1.00 0.00 H new ATOM 411 N ASN A 382 -11.902 1.626 -6.461 1.00 0.00 N ATOM 412 CA ASN A 382 -13.121 1.005 -6.977 1.00 0.00 C ATOM 413 C ASN A 382 -12.811 -0.316 -7.668 1.00 0.00 C ATOM 414 O ASN A 382 -13.635 -1.231 -7.682 1.00 0.00 O ATOM 415 CB ASN A 382 -13.822 1.939 -7.964 1.00 0.00 C ATOM 416 CG ASN A 382 -14.196 3.272 -7.350 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.895 3.446 -6.069 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.754 4.141 -8.020 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.763 2.593 -6.756 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.779 0.814 -6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.170 2.109 -8.821 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.722 1.453 -8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.968 3.969 -9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -15.002 5.034 -7.593 1.00 0.00 H new ATOM 425 N LYS A 383 -11.623 -0.401 -8.251 1.00 0.00 N ATOM 426 CA LYS A 383 -11.203 -1.599 -8.959 1.00 0.00 C ATOM 427 C LYS A 383 -10.566 -2.605 -8.008 1.00 0.00 C ATOM 428 O LYS A 383 -10.679 -3.816 -8.201 1.00 0.00 O ATOM 429 CB LYS A 383 -10.220 -1.223 -10.068 1.00 0.00 C ATOM 430 CG LYS A 383 -10.697 -0.067 -10.936 1.00 0.00 C ATOM 431 CD LYS A 383 -12.059 -0.352 -11.548 1.00 0.00 C ATOM 432 CE LYS A 383 -12.434 0.689 -12.591 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.504 2.058 -12.014 1.00 0.00 N ATOM 0 H LYS A 383 -10.932 0.349 -8.246 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.084 -2.067 -9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.262 -0.959 -9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.047 -2.094 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.750 0.842 -10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.972 0.116 -11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.053 -1.341 -12.006 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.815 -0.369 -10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.702 0.673 -13.398 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.398 0.431 -13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.828 2.726 -12.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.171 2.065 -11.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.561 2.342 -11.679 1.00 0.00 H new ATOM 447 N LYS A 384 -9.888 -2.096 -6.986 1.00 0.00 N ATOM 448 CA LYS A 384 -9.222 -2.942 -6.011 1.00 0.00 C ATOM 449 C LYS A 384 -10.212 -3.821 -5.253 1.00 0.00 C ATOM 450 O LYS A 384 -11.162 -3.326 -4.645 1.00 0.00 O ATOM 451 CB LYS A 384 -8.438 -2.064 -5.036 1.00 0.00 C ATOM 452 CG LYS A 384 -7.064 -1.628 -5.540 1.00 0.00 C ATOM 453 CD LYS A 384 -7.078 -1.163 -6.990 1.00 0.00 C ATOM 454 CE LYS A 384 -6.744 -2.294 -7.952 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.744 -1.837 -9.370 1.00 0.00 N ATOM 0 H LYS A 384 -9.787 -1.096 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.541 -3.607 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.028 -1.175 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.312 -2.607 -4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.692 -0.820 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.366 -2.459 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -8.061 -0.759 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.360 -0.353 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.766 -2.705 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.468 -3.100 -7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.352 -2.463 -9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.106 -0.863 -9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.774 -1.866 -9.744 1.00 0.00 H new ATOM 469 N ASP A 385 -9.972 -5.131 -5.282 1.00 0.00 N ATOM 470 CA ASP A 385 -10.831 -6.080 -4.586 1.00 0.00 C ATOM 471 C ASP A 385 -10.581 -6.011 -3.083 1.00 0.00 C ATOM 472 O ASP A 385 -9.941 -5.079 -2.604 1.00 0.00 O ATOM 473 CB ASP A 385 -10.581 -7.500 -5.097 1.00 0.00 C ATOM 474 CG ASP A 385 -10.900 -7.651 -6.573 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.317 -6.653 -7.198 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.733 -8.769 -7.105 1.00 0.00 O ATOM 0 H ASP A 385 -9.190 -5.556 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.870 -5.817 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.538 -7.766 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.188 -8.201 -4.524 1.00 0.00 H new ATOM 481 N GLN A 386 -11.079 -6.996 -2.345 1.00 0.00 N ATOM 482 CA GLN A 386 -10.899 -7.023 -0.897 1.00 0.00 C ATOM 483 C GLN A 386 -9.423 -6.912 -0.524 1.00 0.00 C ATOM 484 O GLN A 386 -9.021 -6.000 0.200 1.00 0.00 O ATOM 485 CB GLN A 386 -11.488 -8.310 -0.313 1.00 0.00 C ATOM 486 CG GLN A 386 -11.359 -8.410 1.198 1.00 0.00 C ATOM 487 CD GLN A 386 -11.974 -9.680 1.753 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.566 -10.787 1.401 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.961 -9.524 2.627 1.00 0.00 N ATOM 0 H GLN A 386 -11.608 -7.783 -2.722 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.424 -6.165 -0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.542 -8.372 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -10.991 -9.166 -0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.305 -8.371 1.472 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.840 -7.547 1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.266 -8.587 2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.414 -10.341 3.036 1.00 0.00 H new ATOM 498 N ASN A 387 -8.622 -7.842 -1.029 1.00 0.00 N ATOM 499 CA ASN A 387 -7.193 -7.857 -0.758 1.00 0.00 C ATOM 500 C ASN A 387 -6.495 -6.653 -1.387 1.00 0.00 C ATOM 501 O ASN A 387 -5.417 -6.251 -0.949 1.00 0.00 O ATOM 502 CB ASN A 387 -6.583 -9.154 -1.287 1.00 0.00 C ATOM 503 CG ASN A 387 -5.078 -9.186 -1.144 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.542 -9.093 -0.039 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.387 -9.319 -2.266 1.00 0.00 N ATOM 0 H ASN A 387 -8.942 -8.600 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.049 -7.800 0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.014 -10.000 -0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -6.848 -9.274 -2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.368 -9.348 -2.237 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.874 -9.393 -3.159 1.00 0.00 H new ATOM 512 N GLU A 388 -7.109 -6.089 -2.422 1.00 0.00 N ATOM 513 CA GLU A 388 -6.540 -4.942 -3.119 1.00 0.00 C ATOM 514 C GLU A 388 -6.964 -3.626 -2.479 1.00 0.00 C ATOM 515 O GLU A 388 -6.333 -2.595 -2.707 1.00 0.00 O ATOM 516 CB GLU A 388 -6.937 -4.970 -4.593 1.00 0.00 C ATOM 517 CG GLU A 388 -6.464 -6.214 -5.327 1.00 0.00 C ATOM 518 CD GLU A 388 -6.868 -6.224 -6.790 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.514 -5.253 -7.235 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.538 -7.204 -7.489 1.00 0.00 O ATOM 0 H GLU A 388 -8.002 -6.409 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.455 -5.010 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.022 -4.904 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.528 -4.089 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.379 -6.282 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.873 -7.097 -4.836 1.00 0.00 H new ATOM 527 N CYS A 389 -8.029 -3.658 -1.679 1.00 0.00 N ATOM 528 CA CYS A 389 -8.502 -2.448 -1.018 1.00 0.00 C ATOM 529 C CYS A 389 -7.373 -1.880 -0.167 1.00 0.00 C ATOM 530 O CYS A 389 -7.100 -2.360 0.934 1.00 0.00 O ATOM 531 CB CYS A 389 -9.739 -2.749 -0.167 1.00 0.00 C ATOM 532 SG CYS A 389 -10.751 -1.282 0.230 1.00 0.00 S ATOM 0 H CYS A 389 -8.572 -4.497 -1.476 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.793 -1.709 -1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.361 -3.473 -0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.420 -3.219 0.763 1.00 0.00 H new ATOM 537 N LYS A 390 -6.692 -0.884 -0.718 1.00 0.00 N ATOM 538 CA LYS A 390 -5.549 -0.263 -0.059 1.00 0.00 C ATOM 539 C LYS A 390 -5.946 0.568 1.157 1.00 0.00 C ATOM 540 O LYS A 390 -7.109 0.930 1.333 1.00 0.00 O ATOM 541 CB LYS A 390 -4.789 0.589 -1.066 1.00 0.00 C ATOM 542 CG LYS A 390 -4.221 -0.216 -2.228 1.00 0.00 C ATOM 543 CD LYS A 390 -3.074 -1.108 -1.783 1.00 0.00 C ATOM 544 CE LYS A 390 -2.511 -1.906 -2.948 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.374 -2.774 -2.532 1.00 0.00 N ATOM 0 H LYS A 390 -6.914 -0.485 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.908 -1.062 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.455 1.358 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.974 1.102 -0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -5.009 -0.828 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.874 0.463 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.286 -0.498 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.421 -1.790 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.299 -2.523 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.178 -1.222 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.965 -3.236 -3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.647 -2.194 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.715 -3.499 -1.869 1.00 0.00 H new ATOM 559 N SER A 391 -4.951 0.851 1.999 1.00 0.00 N ATOM 560 CA SER A 391 -5.145 1.622 3.218 1.00 0.00 C ATOM 561 C SER A 391 -5.853 2.955 2.959 1.00 0.00 C ATOM 562 O SER A 391 -6.799 3.296 3.670 1.00 0.00 O ATOM 563 CB SER A 391 -3.793 1.865 3.887 1.00 0.00 C ATOM 564 OG SER A 391 -3.162 0.641 4.220 1.00 0.00 O ATOM 0 H SER A 391 -3.988 0.549 1.851 1.00 0.00 H new ATOM 0 HA SER A 391 -5.790 1.042 3.878 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.151 2.439 3.219 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.932 2.463 4.788 1.00 0.00 H new ATOM 0 HG SER A 391 -2.730 0.723 5.096 1.00 0.00 H new ATOM 570 N PRO A 392 -5.430 3.730 1.936 1.00 0.00 N ATOM 571 CA PRO A 392 -6.065 5.008 1.614 1.00 0.00 C ATOM 572 C PRO A 392 -7.522 4.808 1.263 1.00 0.00 C ATOM 573 O PRO A 392 -8.372 5.652 1.547 1.00 0.00 O ATOM 574 CB PRO A 392 -5.283 5.496 0.390 1.00 0.00 C ATOM 575 CG PRO A 392 -3.991 4.785 0.463 1.00 0.00 C ATOM 576 CD PRO A 392 -4.337 3.435 0.997 1.00 0.00 C ATOM 0 HA PRO A 392 -6.045 5.713 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.811 5.264 -0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -5.142 6.577 0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.520 4.715 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.289 5.303 1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.655 2.756 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.489 2.967 1.497 1.00 0.00 H new ATOM 584 N CYS A 393 -7.795 3.671 0.639 1.00 0.00 N ATOM 585 CA CYS A 393 -9.148 3.327 0.233 1.00 0.00 C ATOM 586 C CYS A 393 -10.040 3.112 1.451 1.00 0.00 C ATOM 587 O CYS A 393 -9.696 3.502 2.567 1.00 0.00 O ATOM 588 CB CYS A 393 -9.133 2.057 -0.619 1.00 0.00 C ATOM 589 SG CYS A 393 -7.978 2.100 -2.028 1.00 0.00 S ATOM 0 H CYS A 393 -7.094 2.969 0.403 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.548 4.154 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.876 1.211 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.139 1.877 -0.997 1.00 0.00 H new ATOM 594 N LYS A 394 -11.180 2.473 1.223 1.00 0.00 N ATOM 595 CA LYS A 394 -12.131 2.176 2.285 1.00 0.00 C ATOM 596 C LYS A 394 -12.936 0.937 1.934 1.00 0.00 C ATOM 597 O LYS A 394 -13.665 0.913 0.942 1.00 0.00 O ATOM 598 CB LYS A 394 -13.067 3.365 2.525 1.00 0.00 C ATOM 599 CG LYS A 394 -12.416 4.516 3.273 1.00 0.00 C ATOM 600 CD LYS A 394 -12.014 4.119 4.685 1.00 0.00 C ATOM 601 CE LYS A 394 -13.228 3.786 5.534 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.130 4.959 5.703 1.00 0.00 N ATOM 0 H LYS A 394 -11.470 2.147 0.301 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.574 1.989 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -13.432 3.728 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.936 3.024 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -11.535 4.853 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.106 5.358 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -11.348 3.257 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -11.456 4.933 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.780 2.968 5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.901 3.436 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.798 4.775 6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.564 5.803 5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.659 5.120 4.822 1.00 0.00 H new ATOM 616 N TRP A 395 -12.786 -0.096 2.751 1.00 0.00 N ATOM 617 CA TRP A 395 -13.483 -1.352 2.527 1.00 0.00 C ATOM 618 C TRP A 395 -14.952 -1.243 2.916 1.00 0.00 C ATOM 619 O TRP A 395 -15.292 -0.658 3.945 1.00 0.00 O ATOM 620 CB TRP A 395 -12.811 -2.479 3.313 1.00 0.00 C ATOM 621 CG TRP A 395 -13.375 -3.836 3.013 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.801 -4.764 3.919 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.564 -4.421 1.717 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.250 -5.888 3.267 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.114 -5.702 1.916 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.325 -3.986 0.407 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.428 -6.549 0.856 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.637 -4.829 -0.641 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.184 -6.098 -0.412 1.00 0.00 C ATOM 0 H TRP A 395 -12.186 -0.088 3.576 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.431 -1.581 1.463 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.744 -2.480 3.091 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.914 -2.279 4.380 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.787 -4.634 4.991 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.624 -6.724 3.716 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.904 -3.009 0.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.850 -7.528 1.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.456 -4.504 -1.655 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.418 -6.733 -1.254 1.00 0.00 H new ATOM 640 N HIS A 396 -15.817 -1.818 2.089 1.00 0.00 N ATOM 641 CA HIS A 396 -17.251 -1.796 2.344 1.00 0.00 C ATOM 642 C HIS A 396 -17.807 -3.212 2.407 1.00 0.00 C ATOM 643 O HIS A 396 -17.917 -3.898 1.384 1.00 0.00 O ATOM 644 CB HIS A 396 -17.976 -0.996 1.259 1.00 0.00 C ATOM 645 CG HIS A 396 -17.622 0.459 1.251 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.819 1.288 2.335 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.082 1.235 0.280 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.418 2.510 2.033 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.966 2.504 0.793 1.00 0.00 N ATOM 0 H HIS A 396 -15.549 -2.306 1.234 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.417 -1.313 3.307 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.740 -1.424 0.285 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.052 -1.099 1.401 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.213 1.002 3.231 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.796 0.916 -0.711 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.454 3.367 2.689 1.00 0.00 H new ATOM 658 N ASN A 397 -18.150 -3.637 3.621 1.00 0.00 N ATOM 659 CA ASN A 397 -18.696 -4.968 3.855 1.00 0.00 C ATOM 660 C ASN A 397 -20.203 -4.990 3.621 1.00 0.00 C ATOM 661 O ASN A 397 -20.847 -3.943 3.557 1.00 0.00 O ATOM 662 CB ASN A 397 -18.381 -5.428 5.281 1.00 0.00 C ATOM 663 CG ASN A 397 -18.934 -4.487 6.335 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.145 -4.286 6.431 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.045 -3.904 7.130 1.00 0.00 N ATOM 0 H ASN A 397 -18.057 -3.071 4.464 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.229 -5.653 3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.794 -6.425 5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.301 -5.508 5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.356 -3.260 7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.051 -4.100 7.014 1.00 0.00 H new ATOM 672 N ASP A 398 -20.755 -6.194 3.492 1.00 0.00 N ATOM 673 CA ASP A 398 -22.186 -6.366 3.262 1.00 0.00 C ATOM 674 C ASP A 398 -22.619 -5.646 1.991 1.00 0.00 C ATOM 675 O ASP A 398 -23.782 -5.272 1.837 1.00 0.00 O ATOM 676 CB ASP A 398 -22.984 -5.842 4.459 1.00 0.00 C ATOM 677 CG ASP A 398 -22.637 -6.563 5.749 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.788 -7.479 5.709 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.215 -6.212 6.798 1.00 0.00 O ATOM 0 H ASP A 398 -20.230 -7.067 3.543 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.386 -7.431 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.793 -4.776 4.580 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.050 -5.955 4.259 1.00 0.00 H new ATOM 684 N ALA A 399 -21.671 -5.465 1.078 1.00 0.00 N ATOM 685 CA ALA A 399 -21.939 -4.801 -0.190 1.00 0.00 C ATOM 686 C ALA A 399 -22.591 -5.766 -1.174 1.00 0.00 C ATOM 687 O ALA A 399 -22.391 -6.978 -1.086 1.00 0.00 O ATOM 688 CB ALA A 399 -20.653 -4.233 -0.771 1.00 0.00 C ATOM 0 H ALA A 399 -20.705 -5.771 1.195 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.631 -3.978 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.869 -3.740 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.227 -3.511 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.941 -5.041 -0.937 1.00 0.00 H new ATOM 694 N GLU A 400 -23.368 -5.225 -2.110 1.00 0.00 N ATOM 695 CA GLU A 400 -24.041 -6.043 -3.114 1.00 0.00 C ATOM 696 C GLU A 400 -23.051 -6.996 -3.772 1.00 0.00 C ATOM 697 O GLU A 400 -23.427 -8.060 -4.265 1.00 0.00 O ATOM 698 CB GLU A 400 -24.696 -5.157 -4.175 1.00 0.00 C ATOM 699 CG GLU A 400 -25.725 -4.189 -3.614 1.00 0.00 C ATOM 700 CD GLU A 400 -26.353 -3.320 -4.686 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.963 -3.878 -5.622 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.234 -2.079 -4.590 1.00 0.00 O ATOM 0 H GLU A 400 -23.546 -4.224 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.816 -6.627 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.921 -4.590 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.176 -5.792 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.507 -4.751 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.250 -3.552 -2.867 1.00 0.00 H new ATOM 709 N ASN A 401 -21.781 -6.603 -3.769 1.00 0.00 N ATOM 710 CA ASN A 401 -20.722 -7.411 -4.357 1.00 0.00 C ATOM 711 C ASN A 401 -19.350 -6.887 -3.941 1.00 0.00 C ATOM 712 O ASN A 401 -18.438 -6.788 -4.762 1.00 0.00 O ATOM 713 CB ASN A 401 -20.847 -7.417 -5.883 1.00 0.00 C ATOM 714 CG ASN A 401 -20.738 -6.031 -6.504 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.624 -4.998 -5.674 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -20.762 -5.891 -7.727 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.461 -5.724 -3.363 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.825 -8.433 -3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.070 -8.057 -6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.805 -7.857 -6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -20.851 -6.707 -8.332 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.693 -4.959 -8.135 1.00 0.00 H new ATOM 723 N LYS A 402 -19.221 -6.548 -2.657 1.00 0.00 N ATOM 724 CA LYS A 402 -17.970 -6.022 -2.111 1.00 0.00 C ATOM 725 C LYS A 402 -17.635 -4.672 -2.738 1.00 0.00 C ATOM 726 O LYS A 402 -17.652 -4.526 -3.960 1.00 0.00 O ATOM 727 CB LYS A 402 -16.814 -7.006 -2.336 1.00 0.00 C ATOM 728 CG LYS A 402 -16.915 -8.285 -1.514 1.00 0.00 C ATOM 729 CD LYS A 402 -18.045 -9.185 -1.990 1.00 0.00 C ATOM 730 CE LYS A 402 -17.777 -9.730 -3.383 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.872 -10.624 -3.849 1.00 0.00 N ATOM 0 H LYS A 402 -19.973 -6.629 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.106 -5.888 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.776 -7.269 -3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -15.875 -6.507 -2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -15.971 -8.828 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.072 -8.030 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -18.170 -10.013 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.981 -8.626 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.663 -8.901 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -16.835 -10.279 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.892 -10.636 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.708 -11.588 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.783 -10.274 -3.489 1.00 0.00 H new ATOM 745 N LYS A 403 -17.340 -3.679 -1.900 1.00 0.00 N ATOM 746 CA LYS A 403 -17.021 -2.346 -2.403 1.00 0.00 C ATOM 747 C LYS A 403 -15.786 -1.756 -1.725 1.00 0.00 C ATOM 748 O LYS A 403 -15.495 -2.052 -0.569 1.00 0.00 O ATOM 749 CB LYS A 403 -18.213 -1.410 -2.210 1.00 0.00 C ATOM 750 CG LYS A 403 -19.468 -1.862 -2.941 1.00 0.00 C ATOM 751 CD LYS A 403 -19.261 -1.912 -4.449 1.00 0.00 C ATOM 752 CE LYS A 403 -18.934 -0.542 -5.020 1.00 0.00 C ATOM 753 NZ LYS A 403 -20.031 0.436 -4.781 1.00 0.00 N ATOM 0 H LYS A 403 -17.315 -3.770 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.800 -2.446 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.432 -1.329 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.941 -0.413 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.762 -2.848 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.288 -1.182 -2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.453 -2.605 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.161 -2.299 -4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -18.013 -0.172 -4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.752 -0.629 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.866 1.289 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.941 0.010 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.053 0.693 -3.774 1.00 0.00 H new ATOM 767 N CYS A 404 -15.075 -0.909 -2.462 1.00 0.00 N ATOM 768 CA CYS A 404 -13.875 -0.248 -1.957 1.00 0.00 C ATOM 769 C CYS A 404 -13.691 1.094 -2.662 1.00 0.00 C ATOM 770 O CYS A 404 -13.714 1.163 -3.891 1.00 0.00 O ATOM 771 CB CYS A 404 -12.639 -1.134 -2.172 1.00 0.00 C ATOM 772 SG CYS A 404 -11.076 -0.402 -1.579 1.00 0.00 S ATOM 0 H CYS A 404 -15.312 -0.662 -3.423 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.992 -0.078 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.796 -2.086 -1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.544 -1.352 -3.236 1.00 0.00 H new ATOM 777 N THR A 405 -13.531 2.162 -1.882 1.00 0.00 N ATOM 778 CA THR A 405 -13.369 3.500 -2.444 1.00 0.00 C ATOM 779 C THR A 405 -12.313 4.304 -1.691 1.00 0.00 C ATOM 780 O THR A 405 -12.192 4.203 -0.471 1.00 0.00 O ATOM 781 CB THR A 405 -14.696 4.281 -2.425 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.167 4.417 -1.078 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.753 3.580 -3.267 1.00 0.00 C ATOM 0 H THR A 405 -13.510 2.126 -0.863 1.00 0.00 H new ATOM 0 HA THR A 405 -13.044 3.364 -3.475 1.00 0.00 H new ATOM 0 HB THR A 405 -14.514 5.269 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.683 3.622 -0.830 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.680 4.152 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.406 3.505 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.930 2.580 -2.870 1.00 0.00 H new ATOM 791 N LEU A 406 -11.552 5.099 -2.436 1.00 0.00 N ATOM 792 CA LEU A 406 -10.500 5.925 -1.862 1.00 0.00 C ATOM 793 C LEU A 406 -11.075 6.969 -0.917 1.00 0.00 C ATOM 794 O LEU A 406 -12.146 7.527 -1.157 1.00 0.00 O ATOM 795 CB LEU A 406 -9.694 6.594 -2.975 1.00 0.00 C ATOM 796 CG LEU A 406 -8.379 7.252 -2.551 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.639 8.565 -1.837 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.569 6.307 -1.674 1.00 0.00 C ATOM 0 H LEU A 406 -11.647 5.188 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.837 5.282 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.473 5.846 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.321 7.352 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.798 7.468 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.690 9.015 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.171 9.243 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.243 8.382 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.637 6.791 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.143 6.056 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.346 5.396 -2.230 1.00 0.00 H new ATOM 810 N ASP A 407 -10.344 7.223 0.158 1.00 0.00 N ATOM 811 CA ASP A 407 -10.755 8.199 1.160 1.00 0.00 C ATOM 812 C ASP A 407 -9.643 9.211 1.423 1.00 0.00 C ATOM 813 O ASP A 407 -8.470 8.853 1.514 1.00 0.00 O ATOM 814 CB ASP A 407 -11.132 7.486 2.455 1.00 0.00 C ATOM 815 CG ASP A 407 -11.634 8.443 3.519 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.643 9.135 3.267 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.019 8.499 4.605 1.00 0.00 O ATOM 0 H ASP A 407 -9.456 6.764 0.361 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.623 8.738 0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.902 6.743 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.264 6.947 2.835 1.00 0.00 H new ATOM 822 N LYS A 408 -10.025 10.480 1.536 1.00 0.00 N ATOM 823 CA LYS A 408 -9.070 11.557 1.778 1.00 0.00 C ATOM 824 C LYS A 408 -8.394 11.416 3.142 1.00 0.00 C ATOM 825 O LYS A 408 -7.181 11.587 3.263 1.00 0.00 O ATOM 826 CB LYS A 408 -9.775 12.912 1.693 1.00 0.00 C ATOM 827 CG LYS A 408 -10.433 13.180 0.348 1.00 0.00 C ATOM 828 CD LYS A 408 -9.409 13.293 -0.773 1.00 0.00 C ATOM 829 CE LYS A 408 -8.494 14.491 -0.576 1.00 0.00 C ATOM 830 NZ LYS A 408 -7.503 14.623 -1.680 1.00 0.00 N ATOM 0 H LYS A 408 -10.994 10.789 1.463 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.299 11.493 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.533 12.966 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.051 13.701 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.133 12.377 0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.012 14.102 0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -8.812 12.382 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.924 13.381 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -9.094 15.399 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -7.968 14.393 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -6.899 15.452 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -6.913 13.767 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -8.004 14.742 -2.584 1.00 0.00 H new ATOM 844 N GLU A 409 -9.189 11.125 4.167 1.00 0.00 N ATOM 845 CA GLU A 409 -8.678 10.981 5.525 1.00 0.00 C ATOM 846 C GLU A 409 -7.655 9.852 5.631 1.00 0.00 C ATOM 847 O GLU A 409 -6.583 10.026 6.212 1.00 0.00 O ATOM 848 CB GLU A 409 -9.838 10.728 6.490 1.00 0.00 C ATOM 849 CG GLU A 409 -9.402 10.494 7.925 1.00 0.00 C ATOM 850 CD GLU A 409 -8.752 11.712 8.557 1.00 0.00 C ATOM 851 OE1 GLU A 409 -8.671 12.763 7.887 1.00 0.00 O ATOM 852 OE2 GLU A 409 -8.329 11.615 9.729 1.00 0.00 O ATOM 0 H GLU A 409 -10.196 10.984 4.081 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.173 11.909 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.515 11.581 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.402 9.861 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.269 10.203 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -8.701 9.660 7.954 1.00 0.00 H new ATOM 859 N GLU A 410 -7.994 8.692 5.082 1.00 0.00 N ATOM 860 CA GLU A 410 -7.107 7.536 5.134 1.00 0.00 C ATOM 861 C GLU A 410 -5.837 7.763 4.317 1.00 0.00 C ATOM 862 O GLU A 410 -4.736 7.475 4.781 1.00 0.00 O ATOM 863 CB GLU A 410 -7.835 6.288 4.630 1.00 0.00 C ATOM 864 CG GLU A 410 -9.041 5.903 5.474 1.00 0.00 C ATOM 865 CD GLU A 410 -8.670 5.567 6.905 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.873 4.626 7.106 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.178 6.243 7.824 1.00 0.00 O ATOM 0 H GLU A 410 -8.876 8.527 4.596 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.815 7.390 6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.160 6.457 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.135 5.453 4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.758 6.724 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.538 5.045 5.021 1.00 0.00 H new ATOM 874 N ALA A 411 -5.997 8.265 3.098 1.00 0.00 N ATOM 875 CA ALA A 411 -4.861 8.514 2.214 1.00 0.00 C ATOM 876 C ALA A 411 -3.864 9.494 2.822 1.00 0.00 C ATOM 877 O ALA A 411 -2.659 9.238 2.829 1.00 0.00 O ATOM 878 CB ALA A 411 -5.348 9.024 0.866 1.00 0.00 C ATOM 0 H ALA A 411 -6.903 8.508 2.697 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.340 7.566 2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.493 9.206 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.000 8.279 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -5.901 9.953 1.007 1.00 0.00 H new ATOM 884 N LYS A 412 -4.363 10.618 3.323 1.00 0.00 N ATOM 885 CA LYS A 412 -3.499 11.628 3.922 1.00 0.00 C ATOM 886 C LYS A 412 -2.756 11.062 5.128 1.00 0.00 C ATOM 887 O LYS A 412 -1.603 11.414 5.377 1.00 0.00 O ATOM 888 CB LYS A 412 -4.310 12.866 4.322 1.00 0.00 C ATOM 889 CG LYS A 412 -5.281 12.627 5.466 1.00 0.00 C ATOM 890 CD LYS A 412 -6.146 13.852 5.734 1.00 0.00 C ATOM 891 CE LYS A 412 -5.305 15.078 6.062 1.00 0.00 C ATOM 892 NZ LYS A 412 -4.450 14.864 7.261 1.00 0.00 N ATOM 0 H LYS A 412 -5.356 10.852 3.327 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.761 11.926 3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.622 13.663 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.867 13.218 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.919 11.775 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -4.725 12.369 6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.764 14.059 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.824 13.644 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -4.675 15.325 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.960 15.932 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -4.011 15.765 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -5.033 14.506 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -3.707 14.171 7.038 1.00 0.00 H new ATOM 906 N LYS A 413 -3.419 10.180 5.872 1.00 0.00 N ATOM 907 CA LYS A 413 -2.824 9.565 7.044 1.00 0.00 C ATOM 908 C LYS A 413 -1.719 8.581 6.656 1.00 0.00 C ATOM 909 O LYS A 413 -0.644 8.578 7.255 1.00 0.00 O ATOM 910 CB LYS A 413 -3.905 8.852 7.854 1.00 0.00 C ATOM 911 CG LYS A 413 -3.345 8.004 8.976 1.00 0.00 C ATOM 912 CD LYS A 413 -4.441 7.265 9.730 1.00 0.00 C ATOM 913 CE LYS A 413 -5.140 6.243 8.847 1.00 0.00 C ATOM 914 NZ LYS A 413 -6.198 5.500 9.585 1.00 0.00 N ATOM 0 H LYS A 413 -4.374 9.877 5.678 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.372 10.349 7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.586 9.594 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.492 8.220 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -2.636 7.284 8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -2.792 8.638 9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -4.012 6.764 10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -5.171 7.982 10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.583 6.748 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -4.406 5.538 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.891 5.119 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -5.766 4.717 10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -6.678 6.144 10.246 1.00 0.00 H new ATOM 928 N VAL A 414 -1.995 7.744 5.657 1.00 0.00 N ATOM 929 CA VAL A 414 -1.026 6.751 5.197 1.00 0.00 C ATOM 930 C VAL A 414 0.298 7.405 4.815 1.00 0.00 C ATOM 931 O VAL A 414 1.369 6.933 5.197 1.00 0.00 O ATOM 932 CB VAL A 414 -1.560 5.958 3.988 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.515 4.975 3.485 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.847 5.232 4.350 1.00 0.00 C ATOM 0 H VAL A 414 -2.881 7.734 5.151 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.863 6.066 6.029 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.778 6.664 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.913 4.426 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.380 5.519 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.262 4.275 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.208 4.678 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.656 4.539 5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.600 5.958 4.656 1.00 0.00 H new ATOM 944 N ALA A 415 0.219 8.492 4.062 1.00 0.00 N ATOM 945 CA ALA A 415 1.412 9.211 3.635 1.00 0.00 C ATOM 946 C ALA A 415 2.031 9.978 4.795 1.00 0.00 C ATOM 947 O ALA A 415 3.253 10.089 4.900 1.00 0.00 O ATOM 948 CB ALA A 415 1.076 10.165 2.500 1.00 0.00 C ATOM 0 H ALA A 415 -0.658 8.896 3.734 1.00 0.00 H new ATOM 0 HA ALA A 415 2.138 8.479 3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.977 10.695 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 415 0.680 9.601 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 415 0.330 10.884 2.838 1.00 0.00 H new ATOM 954 N ASP A 416 1.175 10.522 5.654 1.00 0.00 N ATOM 955 CA ASP A 416 1.631 11.299 6.800 1.00 0.00 C ATOM 956 C ASP A 416 1.700 10.441 8.062 1.00 0.00 C ATOM 957 O ASP A 416 1.277 10.861 9.138 1.00 0.00 O ATOM 958 CB ASP A 416 0.697 12.487 7.026 1.00 0.00 C ATOM 959 CG ASP A 416 1.312 13.569 7.898 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.633 13.282 9.070 1.00 0.00 O ATOM 961 OD2 ASP A 416 1.473 14.703 7.405 1.00 0.00 O ATOM 0 H ASP A 416 0.161 10.439 5.578 1.00 0.00 H new ATOM 0 HA ASP A 416 2.636 11.662 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.425 12.916 6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.224 12.135 7.490 1.00 0.00 H new ATOM 966 N GLU A 417 2.241 9.238 7.926 1.00 0.00 N ATOM 967 CA GLU A 417 2.370 8.329 9.065 1.00 0.00 C ATOM 968 C GLU A 417 3.439 8.812 10.042 1.00 0.00 C ATOM 969 O GLU A 417 3.825 8.081 10.956 1.00 0.00 O ATOM 970 CB GLU A 417 2.706 6.913 8.592 1.00 0.00 C ATOM 971 CG GLU A 417 1.522 6.165 8.007 1.00 0.00 C ATOM 972 CD GLU A 417 0.432 5.911 9.030 1.00 0.00 C ATOM 973 OE1 GLU A 417 0.723 5.264 10.058 1.00 0.00 O ATOM 974 OE2 GLU A 417 -0.711 6.358 8.803 1.00 0.00 O ATOM 0 H GLU A 417 2.597 8.867 7.045 1.00 0.00 H new ATOM 0 HA GLU A 417 1.410 8.315 9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 417 3.495 6.968 7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 417 3.104 6.344 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 417 1.110 6.737 7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.863 5.213 7.600 1.00 0.00 H new ATOM 981 N THR A 418 3.908 10.044 9.848 1.00 0.00 N ATOM 982 CA THR A 418 4.927 10.631 10.714 1.00 0.00 C ATOM 983 C THR A 418 6.098 9.672 10.916 1.00 0.00 C ATOM 984 O THR A 418 6.523 9.424 12.045 1.00 0.00 O ATOM 985 CB THR A 418 4.345 11.024 12.087 1.00 0.00 C ATOM 986 OG1 THR A 418 3.902 9.856 12.790 1.00 0.00 O ATOM 987 CG2 THR A 418 3.182 11.989 11.920 1.00 0.00 C ATOM 0 H THR A 418 3.596 10.657 9.095 1.00 0.00 H new ATOM 0 HA THR A 418 5.285 11.531 10.215 1.00 0.00 H new ATOM 0 HB THR A 418 5.131 11.515 12.662 1.00 0.00 H new ATOM 0 HG1 THR A 418 4.177 9.054 12.298 1.00 0.00 H new ATOM 0 HG21 THR A 418 2.785 12.254 12.900 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.527 12.890 11.412 1.00 0.00 H new ATOM 0 HG23 THR A 418 2.399 11.516 11.328 1.00 0.00 H new ATOM 995 N ALA A 419 6.610 9.134 9.814 1.00 0.00 N ATOM 996 CA ALA A 419 7.727 8.198 9.865 1.00 0.00 C ATOM 997 C ALA A 419 8.328 7.982 8.481 1.00 0.00 C ATOM 998 O ALA A 419 9.548 7.989 8.317 1.00 0.00 O ATOM 999 CB ALA A 419 7.271 6.873 10.455 1.00 0.00 C ATOM 0 H ALA A 419 6.268 9.331 8.873 1.00 0.00 H new ATOM 0 HA ALA A 419 8.500 8.625 10.504 1.00 0.00 H new ATOM 0 HB1 ALA A 419 8.112 6.181 10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.894 7.035 11.465 1.00 0.00 H new ATOM 0 HB3 ALA A 419 6.480 6.452 9.835 1.00 0.00 H new ATOM 1005 N LYS A 420 7.461 7.793 7.489 1.00 0.00 N ATOM 1006 CA LYS A 420 7.901 7.576 6.113 1.00 0.00 C ATOM 1007 C LYS A 420 8.823 6.363 6.021 1.00 0.00 C ATOM 1008 O LYS A 420 9.841 6.396 5.331 1.00 0.00 O ATOM 1009 CB LYS A 420 8.619 8.818 5.570 1.00 0.00 C ATOM 1010 CG LYS A 420 7.729 10.046 5.423 1.00 0.00 C ATOM 1011 CD LYS A 420 7.274 10.586 6.770 1.00 0.00 C ATOM 1012 CE LYS A 420 6.454 11.856 6.613 1.00 0.00 C ATOM 1013 NZ LYS A 420 7.231 12.938 5.947 1.00 0.00 N ATOM 0 H LYS A 420 6.449 7.786 7.613 1.00 0.00 H new ATOM 0 HA LYS A 420 7.015 7.388 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 420 9.448 9.063 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 420 9.049 8.578 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 420 8.271 10.824 4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 420 6.857 9.791 4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 420 6.681 9.830 7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 420 8.144 10.788 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 420 5.558 11.640 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 420 6.122 12.198 7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 6.764 13.852 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 8.194 12.966 6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 7.279 12.752 4.925 1.00 0.00 H new ATOM 1027 N ASP A 421 8.454 5.292 6.719 1.00 0.00 N ATOM 1028 CA ASP A 421 9.243 4.062 6.720 1.00 0.00 C ATOM 1029 C ASP A 421 8.367 2.858 7.047 1.00 0.00 C ATOM 1030 O ASP A 421 8.460 1.816 6.399 1.00 0.00 O ATOM 1031 CB ASP A 421 10.384 4.157 7.738 1.00 0.00 C ATOM 1032 CG ASP A 421 11.399 5.225 7.383 1.00 0.00 C ATOM 1033 OD1 ASP A 421 12.015 5.125 6.301 1.00 0.00 O ATOM 1034 OD2 ASP A 421 11.579 6.163 8.189 1.00 0.00 O ATOM 0 H ASP A 421 7.612 5.251 7.293 1.00 0.00 H new ATOM 0 HA ASP A 421 9.663 3.933 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 421 9.969 4.369 8.723 1.00 0.00 H new ATOM 0 HB3 ASP A 421 10.887 3.192 7.805 1.00 0.00 H new ATOM 1039 N GLY A 422 7.519 3.012 8.058 1.00 0.00 N ATOM 1040 CA GLY A 422 6.639 1.931 8.460 1.00 0.00 C ATOM 1041 C GLY A 422 7.397 0.734 8.998 1.00 0.00 C ATOM 1042 O GLY A 422 7.099 -0.408 8.644 1.00 0.00 O ATOM 0 H GLY A 422 7.425 3.867 8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 422 5.950 2.293 9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 422 6.036 1.621 7.606 1.00 0.00 H new ATOM 1046 N LYS A 423 8.380 0.994 9.854 1.00 0.00 N ATOM 1047 CA LYS A 423 9.183 -0.071 10.445 1.00 0.00 C ATOM 1048 C LYS A 423 8.314 -0.989 11.297 1.00 0.00 C ATOM 1049 O LYS A 423 8.463 -2.211 11.264 1.00 0.00 O ATOM 1050 CB LYS A 423 10.307 0.519 11.299 1.00 0.00 C ATOM 1051 CG LYS A 423 11.244 1.437 10.530 1.00 0.00 C ATOM 1052 CD LYS A 423 12.350 1.979 11.422 1.00 0.00 C ATOM 1053 CE LYS A 423 13.286 2.899 10.653 1.00 0.00 C ATOM 1054 NZ LYS A 423 13.932 2.202 9.506 1.00 0.00 N ATOM 0 H LYS A 423 8.640 1.934 10.154 1.00 0.00 H new ATOM 0 HA LYS A 423 9.622 -0.655 9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 423 9.868 1.075 12.128 1.00 0.00 H new ATOM 0 HB3 LYS A 423 10.887 -0.296 11.733 1.00 0.00 H new ATOM 0 HG2 LYS A 423 11.683 0.893 9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 423 10.677 2.266 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 423 11.911 2.522 12.259 1.00 0.00 H new ATOM 0 HD3 LYS A 423 12.918 1.150 11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 423 12.728 3.761 10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 423 14.054 3.280 11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 14.727 2.774 9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 14.283 1.274 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 13.237 2.071 8.743 1.00 0.00 H new ATOM 1068 N THR A 424 7.410 -0.388 12.064 1.00 0.00 N ATOM 1069 CA THR A 424 6.513 -1.140 12.932 1.00 0.00 C ATOM 1070 C THR A 424 5.631 -2.092 12.130 1.00 0.00 C ATOM 1071 O THR A 424 5.365 -3.215 12.559 1.00 0.00 O ATOM 1072 CB THR A 424 5.616 -0.200 13.758 1.00 0.00 C ATOM 1073 OG1 THR A 424 4.808 0.599 12.887 1.00 0.00 O ATOM 1074 CG2 THR A 424 6.457 0.705 14.646 1.00 0.00 C ATOM 0 H THR A 424 7.280 0.623 12.101 1.00 0.00 H new ATOM 0 HA THR A 424 7.142 -1.720 13.607 1.00 0.00 H new ATOM 0 HB THR A 424 4.972 -0.811 14.391 1.00 0.00 H new ATOM 0 HG1 THR A 424 4.240 1.192 13.421 1.00 0.00 H new ATOM 0 HG21 THR A 424 5.803 1.361 15.221 1.00 0.00 H new ATOM 0 HG22 THR A 424 7.050 0.096 15.328 1.00 0.00 H new ATOM 0 HG23 THR A 424 7.121 1.308 14.026 1.00 0.00 H new ATOM 1082 N GLY A 425 5.179 -1.634 10.966 1.00 0.00 N ATOM 1083 CA GLY A 425 4.329 -2.457 10.125 1.00 0.00 C ATOM 1084 C GLY A 425 2.961 -2.685 10.736 1.00 0.00 C ATOM 1085 O GLY A 425 2.327 -1.744 11.215 1.00 0.00 O ATOM 0 H GLY A 425 5.386 -0.708 10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 425 4.215 -1.980 9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 425 4.813 -3.419 9.954 1.00 0.00 H new ATOM 1089 N ASN A 426 2.506 -3.934 10.722 1.00 0.00 N ATOM 1090 CA ASN A 426 1.206 -4.278 11.284 1.00 0.00 C ATOM 1091 C ASN A 426 1.133 -3.885 12.754 1.00 0.00 C ATOM 1092 O ASN A 426 2.094 -4.064 13.503 1.00 0.00 O ATOM 1093 CB ASN A 426 0.935 -5.776 11.134 1.00 0.00 C ATOM 1094 CG ASN A 426 0.903 -6.217 9.684 1.00 0.00 C ATOM 1095 OD1 ASN A 426 1.894 -6.091 8.964 1.00 0.00 O ATOM 1096 ND2 ASN A 426 -0.238 -6.737 9.250 1.00 0.00 N ATOM 0 H ASN A 426 3.018 -4.723 10.328 1.00 0.00 H new ATOM 0 HA ASN A 426 0.445 -3.724 10.735 1.00 0.00 H new ATOM 0 HB2 ASN A 426 1.705 -6.336 11.664 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -0.017 -6.019 11.606 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -0.320 -7.052 8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -1.033 -6.822 9.883 1.00 0.00 H new ATOM 1103 N THR A 427 -0.009 -3.340 13.158 1.00 0.00 N ATOM 1104 CA THR A 427 -0.212 -2.912 14.538 1.00 0.00 C ATOM 1105 C THR A 427 -0.503 -4.098 15.457 1.00 0.00 C ATOM 1106 O THR A 427 -1.443 -4.060 16.252 1.00 0.00 O ATOM 1107 CB THR A 427 -1.367 -1.899 14.641 1.00 0.00 C ATOM 1108 OG1 THR A 427 -2.585 -2.494 14.178 1.00 0.00 O ATOM 1109 CG2 THR A 427 -1.066 -0.651 13.824 1.00 0.00 C ATOM 0 H THR A 427 -0.811 -3.184 12.548 1.00 0.00 H new ATOM 0 HA THR A 427 0.715 -2.436 14.859 1.00 0.00 H new ATOM 0 HB THR A 427 -1.477 -1.613 15.687 1.00 0.00 H new ATOM 0 HG1 THR A 427 -3.314 -1.843 14.249 1.00 0.00 H new ATOM 0 HG21 THR A 427 -1.896 0.050 13.912 1.00 0.00 H new ATOM 0 HG22 THR A 427 -0.155 -0.183 14.197 1.00 0.00 H new ATOM 0 HG23 THR A 427 -0.932 -0.925 12.778 1.00 0.00 H new ATOM 1117 N ASN A 428 0.311 -5.147 15.351 1.00 0.00 N ATOM 1118 CA ASN A 428 0.140 -6.333 16.177 1.00 0.00 C ATOM 1119 C ASN A 428 1.294 -7.314 15.977 1.00 0.00 C ATOM 1120 O ASN A 428 1.933 -7.736 16.941 1.00 0.00 O ATOM 1121 CB ASN A 428 -1.192 -7.018 15.856 1.00 0.00 C ATOM 1122 CG ASN A 428 -1.451 -8.232 16.730 1.00 0.00 C ATOM 1123 OD1 ASN A 428 -0.703 -9.210 16.696 1.00 0.00 O ATOM 1124 ND2 ASN A 428 -2.517 -8.173 17.519 1.00 0.00 N ATOM 0 H ASN A 428 1.095 -5.196 14.700 1.00 0.00 H new ATOM 0 HA ASN A 428 0.136 -6.018 17.220 1.00 0.00 H new ATOM 0 HB2 ASN A 428 -2.004 -6.303 15.985 1.00 0.00 H new ATOM 0 HB3 ASN A 428 -1.197 -7.321 14.809 1.00 0.00 H new ATOM 0 HD21 ASN A 428 -2.744 -8.958 18.129 1.00 0.00 H new ATOM 0 HD22 ASN A 428 -3.109 -7.343 17.515 1.00 0.00 H new ATOM 1131 N THR A 429 1.557 -7.675 14.724 1.00 0.00 N ATOM 1132 CA THR A 429 2.635 -8.607 14.410 1.00 0.00 C ATOM 1133 C THR A 429 3.997 -7.923 14.484 1.00 0.00 C ATOM 1134 O THR A 429 4.190 -6.851 13.908 1.00 0.00 O ATOM 1135 CB THR A 429 2.460 -9.224 13.010 1.00 0.00 C ATOM 1136 OG1 THR A 429 2.537 -8.202 12.011 1.00 0.00 O ATOM 1137 CG2 THR A 429 1.124 -9.945 12.902 1.00 0.00 C ATOM 0 H THR A 429 1.040 -7.337 13.912 1.00 0.00 H new ATOM 0 HA THR A 429 2.589 -9.400 15.156 1.00 0.00 H new ATOM 0 HB THR A 429 3.261 -9.947 12.852 1.00 0.00 H new ATOM 0 HG1 THR A 429 2.426 -8.603 11.124 1.00 0.00 H new ATOM 0 HG21 THR A 429 1.021 -10.373 11.905 1.00 0.00 H new ATOM 0 HG22 THR A 429 1.079 -10.741 13.645 1.00 0.00 H new ATOM 0 HG23 THR A 429 0.314 -9.238 13.078 1.00 0.00 H new ATOM 1145 N THR A 430 4.933 -8.559 15.192 1.00 0.00 N ATOM 1146 CA THR A 430 6.291 -8.036 15.355 1.00 0.00 C ATOM 1147 C THR A 430 6.331 -6.844 16.314 1.00 0.00 C ATOM 1148 O THR A 430 7.220 -6.752 17.160 1.00 0.00 O ATOM 1149 CB THR A 430 6.909 -7.620 14.003 1.00 0.00 C ATOM 1150 OG1 THR A 430 6.923 -8.739 13.109 1.00 0.00 O ATOM 1151 CG2 THR A 430 8.326 -7.097 14.188 1.00 0.00 C ATOM 0 H THR A 430 4.772 -9.447 15.667 1.00 0.00 H new ATOM 0 HA THR A 430 6.880 -8.849 15.779 1.00 0.00 H new ATOM 0 HB THR A 430 6.298 -6.821 13.581 1.00 0.00 H new ATOM 0 HG1 THR A 430 7.315 -8.468 12.252 1.00 0.00 H new ATOM 0 HG21 THR A 430 8.738 -6.811 13.220 1.00 0.00 H new ATOM 0 HG22 THR A 430 8.310 -6.228 14.846 1.00 0.00 H new ATOM 0 HG23 THR A 430 8.947 -7.876 14.630 1.00 0.00 H new ATOM 1159 N GLY A 431 5.369 -5.936 16.178 1.00 0.00 N ATOM 1160 CA GLY A 431 5.320 -4.769 17.039 1.00 0.00 C ATOM 1161 C GLY A 431 5.165 -5.131 18.503 1.00 0.00 C ATOM 1162 O GLY A 431 4.367 -6.001 18.854 1.00 0.00 O ATOM 0 H GLY A 431 4.622 -5.988 15.486 1.00 0.00 H new ATOM 0 HA2 GLY A 431 6.232 -4.186 16.907 1.00 0.00 H new ATOM 0 HA3 GLY A 431 4.488 -4.133 16.736 1.00 0.00 H new ATOM 1166 N SER A 432 5.936 -4.463 19.357 1.00 0.00 N ATOM 1167 CA SER A 432 5.893 -4.710 20.795 1.00 0.00 C ATOM 1168 C SER A 432 4.655 -4.074 21.427 1.00 0.00 C ATOM 1169 O SER A 432 4.764 -3.159 22.245 1.00 0.00 O ATOM 1170 CB SER A 432 7.160 -4.165 21.459 1.00 0.00 C ATOM 1171 OG SER A 432 7.141 -4.391 22.858 1.00 0.00 O ATOM 0 H SER A 432 6.601 -3.743 19.076 1.00 0.00 H new ATOM 0 HA SER A 432 5.839 -5.787 20.953 1.00 0.00 H new ATOM 0 HB2 SER A 432 8.037 -4.642 21.022 1.00 0.00 H new ATOM 0 HB3 SER A 432 7.247 -3.097 21.261 1.00 0.00 H new ATOM 0 HG SER A 432 6.364 -3.942 23.251 1.00 0.00 H new ATOM 1177 N SER A 433 3.479 -4.563 21.044 1.00 0.00 N ATOM 1178 CA SER A 433 2.224 -4.042 21.574 1.00 0.00 C ATOM 1179 C SER A 433 2.148 -4.232 23.086 1.00 0.00 C ATOM 1180 O SER A 433 2.906 -5.073 23.614 1.00 0.00 O ATOM 1181 CB SER A 433 1.037 -4.733 20.899 1.00 0.00 C ATOM 1182 OG SER A 433 1.072 -6.133 21.114 1.00 0.00 O ATOM 1183 OXT SER A 433 1.334 -3.537 23.728 1.00 0.00 O ATOM 0 H SER A 433 3.369 -5.319 20.368 1.00 0.00 H new ATOM 0 HA SER A 433 2.184 -2.974 21.361 1.00 0.00 H new ATOM 0 HB2 SER A 433 0.105 -4.325 21.290 1.00 0.00 H new ATOM 0 HB3 SER A 433 1.052 -4.526 19.829 1.00 0.00 H new ATOM 0 HG SER A 433 0.302 -6.551 20.674 1.00 0.00 H new TER 1189 SER A 433