USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HD1:sc= -2.08! C(o=-1.4!,f=-5.7!) USER MOD Set 1.2: A 405 THR OG1 : rot 180:sc= 0.661 USER MOD Set 2.1: A 384 LYS NZ :NH3+ -174:sc= -1.47 (180deg=0) USER MOD Set 2.2: A 390 LYS NZ :NH3+ 144:sc= -1.63 (180deg=-0.243) USER MOD Set 3.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 355 SER OG : rot -13:sc= 0.81 USER MOD Single : A 356 HIS : no HD1:sc= -0.145 K(o=-0.15,f=-1.7) USER MOD Single : A 357 MET CE :methyl -124:sc= -1.87 (180deg=-3.47!) USER MOD Single : A 362 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 GLN : amide:sc= -0.995 K(o=-1,f=-3.2!) USER MOD Single : A 364 LYS NZ :NH3+ -165:sc= -0.052 (180deg=-0.288) USER MOD Single : A 365 HIS : no HD1:sc= 0.6 K(o=0.6,f=-3.4!) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -2.39! C(o=-2.4!,f=-2.5!) USER MOD Single : A 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 373 GLN :FLIP amide:sc= -3.48! C(o=-4.4!,f=-3.5!) USER MOD Single : A 382 ASN :FLIP amide:sc= -2.81! C(o=-7!,f=-2.8!) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN :FLIP amide:sc= 0.608 F(o=0,f=0.61) USER MOD Single : A 387 ASN : amide:sc= -1 K(o=-1,f=-3.3!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -148:sc= 0.0487 (180deg=0) USER MOD Single : A 397 ASN :FLIP amide:sc= -0.622 F(o=-6.2!,f=-0.62) USER MOD Single : A 401 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.076) USER MOD Single : A 402 LYS NZ :NH3+ 167:sc= -0.0312 (180deg=-0.211) USER MOD Single : A 403 LYS NZ :NH3+ -169:sc=-0.00482 (180deg=-0.172) USER MOD Single : A 408 LYS NZ :NH3+ 167:sc= -0.0218 (180deg=-0.256) USER MOD Single : A 412 LYS NZ :NH3+ -168:sc= -0.0188 (180deg=-0.173) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=0.061) USER MOD Single : A 427 THR OG1 : rot 180:sc= -2.43! USER MOD Single : A 428 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.5!) USER MOD Single : A 429 THR OG1 : rot 34:sc= 0.475 USER MOD Single : A 430 THR OG1 : rot 10:sc= 0.632 USER MOD Single : A 432 SER OG : rot -58:sc= 0.247 USER MOD Single : A 433 SER OG : rot -160:sc= -0.848 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 5.758 6.231 -28.484 1.00 0.00 N ATOM 2 CA GLY A 354 5.608 5.088 -29.426 1.00 0.00 C ATOM 3 C GLY A 354 4.663 4.025 -28.902 1.00 0.00 C ATOM 4 O GLY A 354 3.809 3.528 -29.638 1.00 0.00 O ATOM 0 HA2 GLY A 354 5.240 5.456 -30.384 1.00 0.00 H new ATOM 0 HA3 GLY A 354 6.585 4.642 -29.610 1.00 0.00 H new ATOM 10 N SER A 355 4.814 3.677 -27.627 1.00 0.00 N ATOM 11 CA SER A 355 3.969 2.666 -27.000 1.00 0.00 C ATOM 12 C SER A 355 4.035 2.774 -25.480 1.00 0.00 C ATOM 13 O SER A 355 4.142 1.766 -24.780 1.00 0.00 O ATOM 14 CB SER A 355 4.399 1.264 -27.441 1.00 0.00 C ATOM 15 OG SER A 355 4.259 1.099 -28.840 1.00 0.00 O ATOM 0 H SER A 355 5.516 4.082 -27.007 1.00 0.00 H new ATOM 0 HA SER A 355 2.941 2.839 -27.318 1.00 0.00 H new ATOM 0 HB2 SER A 355 5.437 1.093 -27.155 1.00 0.00 H new ATOM 0 HB3 SER A 355 3.798 0.517 -26.923 1.00 0.00 H new ATOM 0 HG SER A 355 3.725 1.835 -29.204 1.00 0.00 H new ATOM 21 N HIS A 356 3.970 4.003 -24.976 1.00 0.00 N ATOM 22 CA HIS A 356 4.022 4.243 -23.539 1.00 0.00 C ATOM 23 C HIS A 356 2.834 3.597 -22.838 1.00 0.00 C ATOM 24 O HIS A 356 1.693 3.717 -23.287 1.00 0.00 O ATOM 25 CB HIS A 356 4.048 5.743 -23.251 1.00 0.00 C ATOM 26 CG HIS A 356 5.252 6.435 -23.812 1.00 0.00 C ATOM 27 ND1 HIS A 356 5.561 6.434 -25.155 1.00 0.00 N ATOM 28 CD2 HIS A 356 6.225 7.153 -23.203 1.00 0.00 C ATOM 29 CE1 HIS A 356 6.673 7.119 -25.351 1.00 0.00 C ATOM 30 NE2 HIS A 356 7.096 7.567 -24.181 1.00 0.00 N ATOM 0 H HIS A 356 3.881 4.847 -25.542 1.00 0.00 H new ATOM 0 HA HIS A 356 4.937 3.793 -23.153 1.00 0.00 H new ATOM 0 HB2 HIS A 356 3.149 6.201 -23.665 1.00 0.00 H new ATOM 0 HB3 HIS A 356 4.018 5.899 -22.173 1.00 0.00 H new ATOM 0 HD2 HIS A 356 6.302 7.361 -22.146 1.00 0.00 H new ATOM 0 HE1 HIS A 356 7.154 7.285 -26.303 1.00 0.00 H new ATOM 0 HE2 HIS A 356 7.934 8.129 -24.029 1.00 0.00 H new ATOM 39 N MET A 357 3.112 2.910 -21.736 1.00 0.00 N ATOM 40 CA MET A 357 2.073 2.236 -20.966 1.00 0.00 C ATOM 41 C MET A 357 2.648 1.687 -19.667 1.00 0.00 C ATOM 42 O MET A 357 1.994 1.715 -18.624 1.00 0.00 O ATOM 43 CB MET A 357 1.452 1.105 -21.797 1.00 0.00 C ATOM 44 CG MET A 357 0.212 0.479 -21.172 1.00 0.00 C ATOM 45 SD MET A 357 0.583 -0.585 -19.763 1.00 0.00 S ATOM 46 CE MET A 357 1.573 -1.855 -20.548 1.00 0.00 C ATOM 0 H MET A 357 4.052 2.805 -21.354 1.00 0.00 H new ATOM 0 HA MET A 357 1.294 2.958 -20.720 1.00 0.00 H new ATOM 0 HB2 MET A 357 1.192 1.493 -22.782 1.00 0.00 H new ATOM 0 HB3 MET A 357 2.201 0.327 -21.949 1.00 0.00 H new ATOM 0 HG2 MET A 357 -0.465 1.271 -20.852 1.00 0.00 H new ATOM 0 HG3 MET A 357 -0.314 -0.103 -21.929 1.00 0.00 H new ATOM 0 HE1 MET A 357 1.129 -2.832 -20.358 1.00 0.00 H new ATOM 0 HE2 MET A 357 1.610 -1.676 -21.623 1.00 0.00 H new ATOM 0 HE3 MET A 357 2.584 -1.831 -20.142 1.00 0.00 H new ATOM 56 N LEU A 358 3.878 1.187 -19.740 1.00 0.00 N ATOM 57 CA LEU A 358 4.554 0.625 -18.575 1.00 0.00 C ATOM 58 C LEU A 358 5.095 1.729 -17.665 1.00 0.00 C ATOM 59 O LEU A 358 6.235 1.663 -17.204 1.00 0.00 O ATOM 60 CB LEU A 358 5.698 -0.301 -19.007 1.00 0.00 C ATOM 61 CG LEU A 358 5.286 -1.510 -19.856 1.00 0.00 C ATOM 62 CD1 LEU A 358 4.880 -1.077 -21.258 1.00 0.00 C ATOM 63 CD2 LEU A 358 6.417 -2.525 -19.917 1.00 0.00 C ATOM 0 H LEU A 358 4.429 1.160 -20.598 1.00 0.00 H new ATOM 0 HA LEU A 358 3.820 0.045 -18.016 1.00 0.00 H new ATOM 0 HB2 LEU A 358 6.424 0.286 -19.570 1.00 0.00 H new ATOM 0 HB3 LEU A 358 6.206 -0.663 -18.113 1.00 0.00 H new ATOM 0 HG LEU A 358 4.423 -1.979 -19.384 1.00 0.00 H new ATOM 0 HD11 LEU A 358 4.592 -1.952 -21.840 1.00 0.00 H new ATOM 0 HD12 LEU A 358 4.037 -0.389 -21.196 1.00 0.00 H new ATOM 0 HD13 LEU A 358 5.720 -0.579 -21.743 1.00 0.00 H new ATOM 0 HD21 LEU A 358 6.109 -3.377 -20.523 1.00 0.00 H new ATOM 0 HD22 LEU A 358 7.298 -2.062 -20.363 1.00 0.00 H new ATOM 0 HD23 LEU A 358 6.656 -2.864 -18.909 1.00 0.00 H new ATOM 75 N GLU A 359 4.269 2.739 -17.406 1.00 0.00 N ATOM 76 CA GLU A 359 4.661 3.853 -16.549 1.00 0.00 C ATOM 77 C GLU A 359 4.979 3.371 -15.140 1.00 0.00 C ATOM 78 O GLU A 359 5.827 3.937 -14.450 1.00 0.00 O ATOM 79 CB GLU A 359 3.552 4.905 -16.508 1.00 0.00 C ATOM 80 CG GLU A 359 2.213 4.358 -16.039 1.00 0.00 C ATOM 81 CD GLU A 359 1.121 5.410 -16.037 1.00 0.00 C ATOM 82 OE1 GLU A 359 1.273 6.422 -15.320 1.00 0.00 O ATOM 83 OE2 GLU A 359 0.114 5.221 -16.751 1.00 0.00 O ATOM 0 H GLU A 359 3.322 2.808 -17.778 1.00 0.00 H new ATOM 0 HA GLU A 359 5.561 4.303 -16.967 1.00 0.00 H new ATOM 0 HB2 GLU A 359 3.856 5.716 -15.846 1.00 0.00 H new ATOM 0 HB3 GLU A 359 3.432 5.334 -17.503 1.00 0.00 H new ATOM 0 HG2 GLU A 359 1.916 3.532 -16.686 1.00 0.00 H new ATOM 0 HG3 GLU A 359 2.323 3.952 -15.033 1.00 0.00 H new ATOM 90 N VAL A 360 4.289 2.321 -14.729 1.00 0.00 N ATOM 91 CA VAL A 360 4.481 1.739 -13.406 1.00 0.00 C ATOM 92 C VAL A 360 5.924 1.288 -13.210 1.00 0.00 C ATOM 93 O VAL A 360 6.569 0.823 -14.150 1.00 0.00 O ATOM 94 CB VAL A 360 3.539 0.541 -13.175 1.00 0.00 C ATOM 95 CG1 VAL A 360 2.087 0.980 -13.268 1.00 0.00 C ATOM 96 CG2 VAL A 360 3.832 -0.570 -14.171 1.00 0.00 C ATOM 0 H VAL A 360 3.585 1.849 -15.296 1.00 0.00 H new ATOM 0 HA VAL A 360 4.246 2.517 -12.680 1.00 0.00 H new ATOM 0 HB VAL A 360 3.715 0.152 -12.172 1.00 0.00 H new ATOM 0 HG11 VAL A 360 1.436 0.122 -13.102 1.00 0.00 H new ATOM 0 HG12 VAL A 360 1.887 1.738 -12.511 1.00 0.00 H new ATOM 0 HG13 VAL A 360 1.895 1.395 -14.257 1.00 0.00 H new ATOM 0 HG21 VAL A 360 3.157 -1.407 -13.992 1.00 0.00 H new ATOM 0 HG22 VAL A 360 3.687 -0.197 -15.185 1.00 0.00 H new ATOM 0 HG23 VAL A 360 4.863 -0.903 -14.051 1.00 0.00 H new ATOM 106 N LEU A 361 6.427 1.435 -11.987 1.00 0.00 N ATOM 107 CA LEU A 361 7.797 1.047 -11.670 1.00 0.00 C ATOM 108 C LEU A 361 8.077 -0.384 -12.120 1.00 0.00 C ATOM 109 O LEU A 361 7.291 -1.293 -11.855 1.00 0.00 O ATOM 110 CB LEU A 361 8.054 1.180 -10.166 1.00 0.00 C ATOM 111 CG LEU A 361 9.473 0.827 -9.712 1.00 0.00 C ATOM 112 CD1 LEU A 361 10.488 1.779 -10.329 1.00 0.00 C ATOM 113 CD2 LEU A 361 9.569 0.855 -8.195 1.00 0.00 C ATOM 0 H LEU A 361 5.906 1.820 -11.200 1.00 0.00 H new ATOM 0 HA LEU A 361 8.469 1.716 -12.207 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.839 2.206 -9.866 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.350 0.539 -9.636 1.00 0.00 H new ATOM 0 HG LEU A 361 9.700 -0.183 -10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 361 11.490 1.510 -9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.439 1.709 -11.416 1.00 0.00 H new ATOM 0 HD13 LEU A 361 10.264 2.800 -10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 361 10.584 0.602 -7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 361 9.319 1.852 -7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 361 8.872 0.131 -7.773 1.00 0.00 H new ATOM 125 N THR A 362 9.202 -0.572 -12.805 1.00 0.00 N ATOM 126 CA THR A 362 9.596 -1.886 -13.303 1.00 0.00 C ATOM 127 C THR A 362 11.120 -2.004 -13.379 1.00 0.00 C ATOM 128 O THR A 362 11.821 -1.622 -12.440 1.00 0.00 O ATOM 129 CB THR A 362 8.989 -2.167 -14.696 1.00 0.00 C ATOM 130 OG1 THR A 362 9.315 -1.103 -15.597 1.00 0.00 O ATOM 131 CG2 THR A 362 7.478 -2.327 -14.619 1.00 0.00 C ATOM 0 H THR A 362 9.860 0.174 -13.029 1.00 0.00 H new ATOM 0 HA THR A 362 9.212 -2.625 -12.600 1.00 0.00 H new ATOM 0 HB THR A 362 9.414 -3.101 -15.064 1.00 0.00 H new ATOM 0 HG1 THR A 362 8.928 -1.290 -16.478 1.00 0.00 H new ATOM 0 HG21 THR A 362 7.082 -2.524 -15.615 1.00 0.00 H new ATOM 0 HG22 THR A 362 7.233 -3.160 -13.960 1.00 0.00 H new ATOM 0 HG23 THR A 362 7.035 -1.412 -14.226 1.00 0.00 H new ATOM 139 N GLN A 363 11.628 -2.533 -14.493 1.00 0.00 N ATOM 140 CA GLN A 363 13.066 -2.697 -14.681 1.00 0.00 C ATOM 141 C GLN A 363 13.653 -3.604 -13.598 1.00 0.00 C ATOM 142 O GLN A 363 14.676 -3.289 -12.989 1.00 0.00 O ATOM 143 CB GLN A 363 13.763 -1.330 -14.681 1.00 0.00 C ATOM 144 CG GLN A 363 15.243 -1.386 -15.034 1.00 0.00 C ATOM 145 CD GLN A 363 15.498 -1.936 -16.426 1.00 0.00 C ATOM 146 OE1 GLN A 363 15.183 -3.089 -16.720 1.00 0.00 O ATOM 147 NE2 GLN A 363 16.070 -1.109 -17.294 1.00 0.00 N ATOM 0 H GLN A 363 11.062 -2.855 -15.278 1.00 0.00 H new ATOM 0 HA GLN A 363 13.236 -3.171 -15.648 1.00 0.00 H new ATOM 0 HB2 GLN A 363 13.256 -0.676 -15.390 1.00 0.00 H new ATOM 0 HB3 GLN A 363 13.653 -0.878 -13.695 1.00 0.00 H new ATOM 0 HG2 GLN A 363 15.667 -0.384 -14.961 1.00 0.00 H new ATOM 0 HG3 GLN A 363 15.762 -2.006 -14.303 1.00 0.00 H new ATOM 0 HE21 GLN A 363 16.315 -0.161 -17.009 1.00 0.00 H new ATOM 0 HE22 GLN A 363 16.264 -1.422 -18.245 1.00 0.00 H new ATOM 156 N LYS A 364 12.994 -4.736 -13.371 1.00 0.00 N ATOM 157 CA LYS A 364 13.434 -5.701 -12.377 1.00 0.00 C ATOM 158 C LYS A 364 12.993 -7.095 -12.793 1.00 0.00 C ATOM 159 O LYS A 364 12.120 -7.245 -13.649 1.00 0.00 O ATOM 160 CB LYS A 364 12.862 -5.362 -10.996 1.00 0.00 C ATOM 161 CG LYS A 364 13.430 -4.089 -10.391 1.00 0.00 C ATOM 162 CD LYS A 364 12.818 -3.797 -9.030 1.00 0.00 C ATOM 163 CE LYS A 364 13.416 -2.548 -8.404 1.00 0.00 C ATOM 164 NZ LYS A 364 14.881 -2.685 -8.181 1.00 0.00 N ATOM 0 H LYS A 364 12.146 -5.006 -13.869 1.00 0.00 H new ATOM 0 HA LYS A 364 14.522 -5.665 -12.313 1.00 0.00 H new ATOM 0 HB2 LYS A 364 11.779 -5.263 -11.076 1.00 0.00 H new ATOM 0 HB3 LYS A 364 13.057 -6.193 -10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 364 14.511 -4.183 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 364 13.243 -3.251 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 364 11.740 -3.672 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 364 12.978 -4.648 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 364 13.226 -1.691 -9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 364 12.922 -2.346 -7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 15.205 -1.938 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 15.083 -3.616 -7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 15.380 -2.597 -9.089 1.00 0.00 H new ATOM 178 N HIS A 365 13.602 -8.108 -12.199 1.00 0.00 N ATOM 179 CA HIS A 365 13.268 -9.490 -12.519 1.00 0.00 C ATOM 180 C HIS A 365 11.911 -9.886 -11.936 1.00 0.00 C ATOM 181 O HIS A 365 11.712 -11.036 -11.542 1.00 0.00 O ATOM 182 CB HIS A 365 14.358 -10.429 -11.998 1.00 0.00 C ATOM 183 CG HIS A 365 14.619 -10.289 -10.530 1.00 0.00 C ATOM 184 ND1 HIS A 365 15.049 -9.114 -9.950 1.00 0.00 N ATOM 185 CD2 HIS A 365 14.506 -11.185 -9.520 1.00 0.00 C ATOM 186 CE1 HIS A 365 15.191 -9.293 -8.648 1.00 0.00 C ATOM 187 NE2 HIS A 365 14.867 -10.541 -8.363 1.00 0.00 N ATOM 0 H HIS A 365 14.330 -8.002 -11.493 1.00 0.00 H new ATOM 0 HA HIS A 365 13.206 -9.577 -13.604 1.00 0.00 H new ATOM 0 HB2 HIS A 365 14.071 -11.459 -12.211 1.00 0.00 H new ATOM 0 HB3 HIS A 365 15.282 -10.237 -12.543 1.00 0.00 H new ATOM 0 HD2 HIS A 365 14.191 -12.214 -9.609 1.00 0.00 H new ATOM 0 HE1 HIS A 365 15.516 -8.546 -7.939 1.00 0.00 H new ATOM 0 HE2 HIS A 365 14.883 -10.959 -7.433 1.00 0.00 H new ATOM 196 N LYS A 366 10.977 -8.932 -11.892 1.00 0.00 N ATOM 197 CA LYS A 366 9.639 -9.194 -11.364 1.00 0.00 C ATOM 198 C LYS A 366 8.768 -7.938 -11.428 1.00 0.00 C ATOM 199 O LYS A 366 9.232 -6.837 -11.128 1.00 0.00 O ATOM 200 CB LYS A 366 9.714 -9.698 -9.920 1.00 0.00 C ATOM 201 CG LYS A 366 10.357 -8.713 -8.955 1.00 0.00 C ATOM 202 CD LYS A 366 10.342 -9.238 -7.527 1.00 0.00 C ATOM 203 CE LYS A 366 8.922 -9.450 -7.025 1.00 0.00 C ATOM 204 NZ LYS A 366 8.896 -9.985 -5.636 1.00 0.00 N ATOM 0 H LYS A 366 11.123 -7.976 -12.215 1.00 0.00 H new ATOM 0 HA LYS A 366 9.185 -9.966 -11.985 1.00 0.00 H new ATOM 0 HB2 LYS A 366 8.706 -9.926 -9.573 1.00 0.00 H new ATOM 0 HB3 LYS A 366 10.277 -10.631 -9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 366 11.385 -8.520 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 366 9.828 -7.761 -8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 366 10.890 -10.179 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 366 10.858 -8.534 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 366 8.380 -8.505 -7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 366 8.402 -10.140 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 7.910 -10.115 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 9.391 -10.899 -5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 9.369 -9.315 -4.997 1.00 0.00 H new ATOM 218 N PRO A 367 7.486 -8.087 -11.814 1.00 0.00 N ATOM 219 CA PRO A 367 6.554 -6.962 -11.907 1.00 0.00 C ATOM 220 C PRO A 367 6.076 -6.497 -10.536 1.00 0.00 C ATOM 221 O PRO A 367 5.748 -7.314 -9.676 1.00 0.00 O ATOM 222 CB PRO A 367 5.396 -7.535 -12.709 1.00 0.00 C ATOM 223 CG PRO A 367 5.401 -8.985 -12.395 1.00 0.00 C ATOM 224 CD PRO A 367 6.840 -9.365 -12.180 1.00 0.00 C ATOM 0 HA PRO A 367 7.012 -6.084 -12.362 1.00 0.00 H new ATOM 0 HB2 PRO A 367 4.451 -7.072 -12.426 1.00 0.00 H new ATOM 0 HB3 PRO A 367 5.529 -7.361 -13.777 1.00 0.00 H new ATOM 0 HG2 PRO A 367 4.807 -9.192 -11.505 1.00 0.00 H new ATOM 0 HG3 PRO A 367 4.964 -9.561 -13.211 1.00 0.00 H new ATOM 0 HD2 PRO A 367 6.945 -10.108 -11.389 1.00 0.00 H new ATOM 0 HD3 PRO A 367 7.280 -9.793 -13.080 1.00 0.00 H new ATOM 232 N ALA A 368 6.039 -5.183 -10.339 1.00 0.00 N ATOM 233 CA ALA A 368 5.599 -4.614 -9.069 1.00 0.00 C ATOM 234 C ALA A 368 5.435 -3.101 -9.163 1.00 0.00 C ATOM 235 O ALA A 368 6.334 -2.396 -9.625 1.00 0.00 O ATOM 236 CB ALA A 368 6.587 -4.968 -7.967 1.00 0.00 C ATOM 0 H ALA A 368 6.308 -4.493 -11.041 1.00 0.00 H new ATOM 0 HA ALA A 368 4.625 -5.041 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 368 6.249 -4.539 -7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 368 6.651 -6.052 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 368 7.570 -4.567 -8.217 1.00 0.00 H new ATOM 242 N GLU A 369 4.283 -2.610 -8.716 1.00 0.00 N ATOM 243 CA GLU A 369 3.990 -1.180 -8.738 1.00 0.00 C ATOM 244 C GLU A 369 4.636 -0.475 -7.547 1.00 0.00 C ATOM 245 O GLU A 369 3.942 0.106 -6.710 1.00 0.00 O ATOM 246 CB GLU A 369 2.479 -0.944 -8.729 1.00 0.00 C ATOM 247 CG GLU A 369 1.759 -1.561 -9.917 1.00 0.00 C ATOM 248 CD GLU A 369 0.265 -1.310 -9.886 1.00 0.00 C ATOM 249 OE1 GLU A 369 -0.387 -1.724 -8.904 1.00 0.00 O ATOM 250 OE2 GLU A 369 -0.255 -0.697 -10.843 1.00 0.00 O ATOM 0 H GLU A 369 3.533 -3.185 -8.332 1.00 0.00 H new ATOM 0 HA GLU A 369 4.407 -0.764 -9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 369 2.061 -1.353 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 369 2.287 0.129 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 369 2.173 -1.154 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 369 1.943 -2.635 -9.931 1.00 0.00 H new ATOM 257 N SER A 370 5.964 -0.542 -7.474 1.00 0.00 N ATOM 258 CA SER A 370 6.716 0.077 -6.385 1.00 0.00 C ATOM 259 C SER A 370 6.446 -0.637 -5.063 1.00 0.00 C ATOM 260 O SER A 370 5.297 -0.912 -4.715 1.00 0.00 O ATOM 261 CB SER A 370 6.367 1.564 -6.262 1.00 0.00 C ATOM 262 OG SER A 370 6.681 2.262 -7.454 1.00 0.00 O ATOM 0 H SER A 370 6.544 -1.022 -8.162 1.00 0.00 H new ATOM 0 HA SER A 370 7.777 -0.014 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 370 5.305 1.674 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 370 6.914 2.001 -5.426 1.00 0.00 H new ATOM 0 HG SER A 370 6.447 3.208 -7.350 1.00 0.00 H new ATOM 268 N GLN A 371 7.516 -0.942 -4.334 1.00 0.00 N ATOM 269 CA GLN A 371 7.399 -1.631 -3.054 1.00 0.00 C ATOM 270 C GLN A 371 6.644 -0.779 -2.038 1.00 0.00 C ATOM 271 O GLN A 371 5.688 -1.243 -1.417 1.00 0.00 O ATOM 272 CB GLN A 371 8.784 -1.988 -2.507 1.00 0.00 C ATOM 273 CG GLN A 371 9.565 -2.955 -3.387 1.00 0.00 C ATOM 274 CD GLN A 371 9.937 -2.363 -4.733 1.00 0.00 C ATOM 275 OE1 GLN A 371 10.628 -1.349 -4.808 1.00 0.00 O ATOM 276 NE2 GLN A 371 9.477 -2.997 -5.806 1.00 0.00 N ATOM 0 H GLN A 371 8.474 -0.723 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 371 6.835 -2.549 -3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 371 9.363 -1.073 -2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 371 8.670 -2.426 -1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 371 10.473 -3.259 -2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 371 8.971 -3.855 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 371 8.907 -3.836 -5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 371 9.694 -2.645 -6.738 1.00 0.00 H new ATOM 285 N GLN A 372 7.075 0.468 -1.875 1.00 0.00 N ATOM 286 CA GLN A 372 6.432 1.377 -0.934 1.00 0.00 C ATOM 287 C GLN A 372 5.019 1.717 -1.391 1.00 0.00 C ATOM 288 O GLN A 372 4.812 2.170 -2.517 1.00 0.00 O ATOM 289 CB GLN A 372 7.250 2.661 -0.781 1.00 0.00 C ATOM 290 CG GLN A 372 8.643 2.437 -0.214 1.00 0.00 C ATOM 291 CD GLN A 372 9.399 3.734 -0.005 1.00 0.00 C ATOM 292 OE1 GLN A 372 8.969 4.601 0.757 1.00 0.00 O ATOM 293 NE2 GLN A 372 10.534 3.876 -0.681 1.00 0.00 N ATOM 0 H GLN A 372 7.864 0.871 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 372 6.377 0.876 0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 372 7.337 3.143 -1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 372 6.710 3.350 -0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 372 8.565 1.909 0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 372 9.208 1.795 -0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 372 10.854 3.133 -1.302 1.00 0.00 H new ATOM 0 HE22 GLN A 372 11.085 4.728 -0.579 1.00 0.00 H new ATOM 302 N GLN A 373 4.049 1.501 -0.509 1.00 0.00 N ATOM 303 CA GLN A 373 2.657 1.790 -0.822 1.00 0.00 C ATOM 304 C GLN A 373 2.444 3.293 -0.963 1.00 0.00 C ATOM 305 O GLN A 373 2.999 4.080 -0.197 1.00 0.00 O ATOM 306 CB GLN A 373 1.739 1.224 0.263 1.00 0.00 C ATOM 307 CG GLN A 373 0.260 1.426 -0.020 1.00 0.00 C ATOM 308 CD GLN A 373 -0.621 0.808 1.045 1.00 0.00 C ATOM 309 OE1 GLN A 373 -1.471 -0.130 0.640 1.00 0.00 O flip ATOM 310 NE2 GLN A 373 -0.539 1.166 2.220 1.00 0.00 N flip ATOM 0 H GLN A 373 4.202 1.127 0.427 1.00 0.00 H new ATOM 0 HA GLN A 373 2.410 1.314 -1.771 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.936 0.158 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.985 1.694 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 373 0.048 2.493 -0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 373 0.015 0.990 -0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.128 1.890 2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -1.138 0.739 2.926 1.00 0.00 H new ATOM 319 N ALA A 374 1.643 3.685 -1.948 1.00 0.00 N ATOM 320 CA ALA A 374 1.364 5.094 -2.185 1.00 0.00 C ATOM 321 C ALA A 374 -0.134 5.359 -2.184 1.00 0.00 C ATOM 322 O ALA A 374 -0.909 4.583 -2.744 1.00 0.00 O ATOM 323 CB ALA A 374 1.982 5.541 -3.502 1.00 0.00 C ATOM 0 H ALA A 374 1.177 3.047 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 374 1.811 5.671 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.765 6.597 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 374 3.061 5.394 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.563 4.953 -4.319 1.00 0.00 H new ATOM 329 N ALA A 375 -0.533 6.456 -1.547 1.00 0.00 N ATOM 330 CA ALA A 375 -1.940 6.823 -1.471 1.00 0.00 C ATOM 331 C ALA A 375 -2.568 6.845 -2.857 1.00 0.00 C ATOM 332 O ALA A 375 -2.395 7.800 -3.615 1.00 0.00 O ATOM 333 CB ALA A 375 -2.099 8.178 -0.797 1.00 0.00 C ATOM 0 H ALA A 375 0.099 7.104 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.457 6.072 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.156 8.438 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.689 8.133 0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.565 8.935 -1.372 1.00 0.00 H new ATOM 339 N GLU A 376 -3.295 5.782 -3.181 1.00 0.00 N ATOM 340 CA GLU A 376 -3.952 5.664 -4.472 1.00 0.00 C ATOM 341 C GLU A 376 -5.072 6.692 -4.599 1.00 0.00 C ATOM 342 O GLU A 376 -4.986 7.787 -4.042 1.00 0.00 O ATOM 343 CB GLU A 376 -4.497 4.244 -4.644 1.00 0.00 C ATOM 344 CG GLU A 376 -3.446 3.165 -4.442 1.00 0.00 C ATOM 345 CD GLU A 376 -2.340 3.211 -5.481 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.417 4.053 -6.401 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.398 2.397 -5.378 1.00 0.00 O ATOM 0 H GLU A 376 -3.443 4.986 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.226 5.861 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.310 4.086 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.922 4.144 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.009 3.273 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.927 2.187 -4.474 1.00 0.00 H new ATOM 354 N THR A 377 -6.116 6.340 -5.335 1.00 0.00 N ATOM 355 CA THR A 377 -7.242 7.238 -5.538 1.00 0.00 C ATOM 356 C THR A 377 -8.546 6.461 -5.625 1.00 0.00 C ATOM 357 O THR A 377 -8.544 5.255 -5.870 1.00 0.00 O ATOM 358 CB THR A 377 -7.064 8.080 -6.814 1.00 0.00 C ATOM 359 OG1 THR A 377 -7.044 7.229 -7.966 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.773 8.885 -6.752 1.00 0.00 C ATOM 0 H THR A 377 -6.206 5.438 -5.802 1.00 0.00 H new ATOM 0 HA THR A 377 -7.279 7.907 -4.678 1.00 0.00 H new ATOM 0 HB THR A 377 -7.905 8.770 -6.888 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.932 7.774 -8.773 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.667 9.473 -7.664 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.802 9.553 -5.891 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.925 8.206 -6.657 1.00 0.00 H new ATOM 368 N GLU A 378 -9.654 7.160 -5.403 1.00 0.00 N ATOM 369 CA GLU A 378 -10.974 6.542 -5.438 1.00 0.00 C ATOM 370 C GLU A 378 -11.119 5.631 -6.648 1.00 0.00 C ATOM 371 O GLU A 378 -11.694 4.548 -6.559 1.00 0.00 O ATOM 372 CB GLU A 378 -12.061 7.617 -5.462 1.00 0.00 C ATOM 373 CG GLU A 378 -13.474 7.058 -5.377 1.00 0.00 C ATOM 374 CD GLU A 378 -14.535 8.143 -5.400 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.168 9.334 -5.466 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.735 7.799 -5.351 1.00 0.00 O ATOM 0 H GLU A 378 -9.663 8.159 -5.196 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.087 5.938 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.900 8.303 -4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.964 8.199 -6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.641 6.375 -6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.576 6.475 -4.461 1.00 0.00 H new ATOM 383 N GLY A 379 -10.596 6.086 -7.778 1.00 0.00 N ATOM 384 CA GLY A 379 -10.679 5.309 -8.999 1.00 0.00 C ATOM 385 C GLY A 379 -9.940 3.990 -8.922 1.00 0.00 C ATOM 386 O GLY A 379 -10.428 2.975 -9.420 1.00 0.00 O ATOM 0 H GLY A 379 -10.115 6.981 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.727 5.117 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.274 5.896 -9.823 1.00 0.00 H new ATOM 390 N SER A 380 -8.761 3.996 -8.312 1.00 0.00 N ATOM 391 CA SER A 380 -7.965 2.778 -8.193 1.00 0.00 C ATOM 392 C SER A 380 -8.619 1.777 -7.246 1.00 0.00 C ATOM 393 O SER A 380 -8.758 0.597 -7.570 1.00 0.00 O ATOM 394 CB SER A 380 -6.561 3.106 -7.704 1.00 0.00 C ATOM 395 OG SER A 380 -5.948 4.083 -8.525 1.00 0.00 O ATOM 0 H SER A 380 -8.336 4.824 -7.894 1.00 0.00 H new ATOM 0 HA SER A 380 -7.905 2.325 -9.183 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.606 3.467 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.955 2.200 -7.697 1.00 0.00 H new ATOM 0 HG SER A 380 -5.048 4.276 -8.188 1.00 0.00 H new ATOM 401 N CYS A 381 -9.005 2.259 -6.070 1.00 0.00 N ATOM 402 CA CYS A 381 -9.632 1.419 -5.053 1.00 0.00 C ATOM 403 C CYS A 381 -10.855 0.684 -5.593 1.00 0.00 C ATOM 404 O CYS A 381 -10.998 -0.523 -5.394 1.00 0.00 O ATOM 405 CB CYS A 381 -10.028 2.270 -3.851 1.00 0.00 C ATOM 406 SG CYS A 381 -8.625 3.117 -3.062 1.00 0.00 S ATOM 0 H CYS A 381 -8.894 3.235 -5.795 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.903 0.667 -4.751 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.758 3.014 -4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.519 1.635 -3.114 1.00 0.00 H new ATOM 411 N ASN A 382 -11.736 1.413 -6.272 1.00 0.00 N ATOM 412 CA ASN A 382 -12.945 0.819 -6.833 1.00 0.00 C ATOM 413 C ASN A 382 -12.596 -0.384 -7.695 1.00 0.00 C ATOM 414 O ASN A 382 -13.320 -1.380 -7.721 1.00 0.00 O ATOM 415 CB ASN A 382 -13.710 1.847 -7.671 1.00 0.00 C ATOM 416 CG ASN A 382 -14.113 3.077 -6.877 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.782 3.096 -5.591 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.718 4.003 -7.418 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.636 2.413 -6.447 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.577 0.494 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.091 2.153 -8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.604 1.379 -8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.953 3.949 -8.409 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.984 4.825 -6.875 1.00 0.00 H new ATOM 425 N LYS A 383 -11.482 -0.277 -8.404 1.00 0.00 N ATOM 426 CA LYS A 383 -11.023 -1.343 -9.278 1.00 0.00 C ATOM 427 C LYS A 383 -10.403 -2.483 -8.479 1.00 0.00 C ATOM 428 O LYS A 383 -10.524 -3.649 -8.854 1.00 0.00 O ATOM 429 CB LYS A 383 -10.014 -0.793 -10.286 1.00 0.00 C ATOM 430 CG LYS A 383 -10.536 0.397 -11.079 1.00 0.00 C ATOM 431 CD LYS A 383 -11.812 0.055 -11.837 1.00 0.00 C ATOM 432 CE LYS A 383 -11.578 -1.044 -12.863 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.822 -1.378 -13.610 1.00 0.00 N ATOM 0 H LYS A 383 -10.877 0.544 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.885 -1.740 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.108 -0.498 -9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.735 -1.587 -10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.727 1.229 -10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.772 0.728 -11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.580 -0.263 -11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.188 0.947 -12.338 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.807 -0.727 -13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.205 -1.937 -12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.622 -2.131 -14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.550 -1.704 -12.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.164 -0.533 -14.110 1.00 0.00 H new ATOM 447 N LYS A 384 -9.728 -2.143 -7.382 1.00 0.00 N ATOM 448 CA LYS A 384 -9.084 -3.141 -6.553 1.00 0.00 C ATOM 449 C LYS A 384 -10.078 -4.095 -5.931 1.00 0.00 C ATOM 450 O LYS A 384 -11.218 -3.740 -5.632 1.00 0.00 O ATOM 451 CB LYS A 384 -8.268 -2.474 -5.460 1.00 0.00 C ATOM 452 CG LYS A 384 -7.126 -1.674 -6.016 1.00 0.00 C ATOM 453 CD LYS A 384 -6.195 -2.544 -6.801 1.00 0.00 C ATOM 454 CE LYS A 384 -5.722 -1.801 -8.015 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.404 -1.140 -7.801 1.00 0.00 N ATOM 0 H LYS A 384 -9.617 -1.184 -7.053 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.427 -3.719 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.914 -1.822 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.881 -3.235 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.511 -0.878 -6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.582 -1.195 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.344 -2.834 -6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.701 -3.462 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.646 -2.493 -8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.462 -1.049 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.169 -0.558 -8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.452 -0.536 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.670 -1.864 -7.667 1.00 0.00 H new ATOM 469 N ASP A 385 -9.605 -5.301 -5.714 1.00 0.00 N ATOM 470 CA ASP A 385 -10.405 -6.347 -5.087 1.00 0.00 C ATOM 471 C ASP A 385 -10.185 -6.300 -3.587 1.00 0.00 C ATOM 472 O ASP A 385 -9.339 -5.547 -3.116 1.00 0.00 O ATOM 473 CB ASP A 385 -10.038 -7.726 -5.636 1.00 0.00 C ATOM 474 CG ASP A 385 -10.197 -7.812 -7.141 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.319 -7.580 -7.635 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.198 -8.113 -7.827 1.00 0.00 O ATOM 0 H ASP A 385 -8.659 -5.591 -5.963 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.457 -6.174 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.007 -7.957 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.667 -8.481 -5.164 1.00 0.00 H new ATOM 481 N GLN A 386 -10.936 -7.095 -2.837 1.00 0.00 N ATOM 482 CA GLN A 386 -10.792 -7.108 -1.383 1.00 0.00 C ATOM 483 C GLN A 386 -9.316 -7.200 -0.998 1.00 0.00 C ATOM 484 O GLN A 386 -8.811 -6.383 -0.228 1.00 0.00 O ATOM 485 CB GLN A 386 -11.577 -8.275 -0.775 1.00 0.00 C ATOM 486 CG GLN A 386 -11.638 -8.243 0.745 1.00 0.00 C ATOM 487 CD GLN A 386 -12.411 -9.412 1.325 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.736 -10.230 2.125 1.00 0.00 O flip ATOM 489 NE2 GLN A 386 -13.601 -9.579 1.056 1.00 0.00 N flip ATOM 0 H GLN A 386 -11.643 -7.733 -3.203 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.198 -6.178 -0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.592 -8.264 -1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.121 -9.213 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.624 -8.249 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.102 -7.311 1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -14.080 -8.926 0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.107 -10.371 1.453 1.00 0.00 H new ATOM 498 N ASN A 387 -8.626 -8.187 -1.560 1.00 0.00 N ATOM 499 CA ASN A 387 -7.205 -8.383 -1.295 1.00 0.00 C ATOM 500 C ASN A 387 -6.367 -7.232 -1.849 1.00 0.00 C ATOM 501 O ASN A 387 -5.374 -6.829 -1.242 1.00 0.00 O ATOM 502 CB ASN A 387 -6.738 -9.706 -1.907 1.00 0.00 C ATOM 503 CG ASN A 387 -5.230 -9.872 -1.865 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.490 -9.106 -2.483 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.765 -10.877 -1.138 1.00 0.00 N ATOM 0 H ASN A 387 -9.030 -8.866 -2.205 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.067 -8.410 -0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.205 -10.533 -1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.077 -9.762 -2.941 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.760 -11.039 -1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.412 -11.489 -0.641 1.00 0.00 H new ATOM 512 N GLU A 388 -6.759 -6.718 -3.011 1.00 0.00 N ATOM 513 CA GLU A 388 -6.027 -5.632 -3.654 1.00 0.00 C ATOM 514 C GLU A 388 -6.398 -4.279 -3.077 1.00 0.00 C ATOM 515 O GLU A 388 -5.759 -3.274 -3.392 1.00 0.00 O ATOM 516 CB GLU A 388 -6.266 -5.651 -5.163 1.00 0.00 C ATOM 517 CG GLU A 388 -5.792 -6.932 -5.830 1.00 0.00 C ATOM 518 CD GLU A 388 -5.931 -6.892 -7.339 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.359 -5.974 -7.963 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.605 -7.782 -7.897 1.00 0.00 O ATOM 0 H GLU A 388 -7.580 -7.036 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.967 -5.791 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.331 -5.521 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.753 -4.802 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.748 -7.107 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.364 -7.774 -5.439 1.00 0.00 H new ATOM 527 N CYS A 389 -7.412 -4.240 -2.220 1.00 0.00 N ATOM 528 CA CYS A 389 -7.801 -2.980 -1.618 1.00 0.00 C ATOM 529 C CYS A 389 -6.658 -2.474 -0.761 1.00 0.00 C ATOM 530 O CYS A 389 -6.346 -3.047 0.282 1.00 0.00 O ATOM 531 CB CYS A 389 -9.061 -3.121 -0.780 1.00 0.00 C ATOM 532 SG CYS A 389 -9.674 -1.524 -0.177 1.00 0.00 S ATOM 0 H CYS A 389 -7.965 -5.048 -1.934 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.020 -2.268 -2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.837 -3.604 -1.374 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.858 -3.773 0.069 1.00 0.00 H new ATOM 537 N LYS A 390 -6.016 -1.419 -1.226 1.00 0.00 N ATOM 538 CA LYS A 390 -4.877 -0.853 -0.521 1.00 0.00 C ATOM 539 C LYS A 390 -5.293 -0.087 0.731 1.00 0.00 C ATOM 540 O LYS A 390 -6.463 0.250 0.912 1.00 0.00 O ATOM 541 CB LYS A 390 -4.059 0.007 -1.471 1.00 0.00 C ATOM 542 CG LYS A 390 -3.417 -0.815 -2.584 1.00 0.00 C ATOM 543 CD LYS A 390 -2.597 0.052 -3.524 1.00 0.00 C ATOM 544 CE LYS A 390 -1.917 -0.781 -4.599 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.899 -1.562 -5.401 1.00 0.00 N ATOM 0 H LYS A 390 -6.263 -0.935 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.251 -1.674 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.700 0.771 -1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.282 0.526 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -2.778 -1.582 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.193 -1.331 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.243 0.795 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -1.845 0.597 -2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.348 -0.127 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.205 -1.462 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.582 -1.606 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -2.972 -2.526 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.830 -1.100 -5.356 1.00 0.00 H new ATOM 559 N SER A 391 -4.321 0.148 1.610 1.00 0.00 N ATOM 560 CA SER A 391 -4.560 0.838 2.879 1.00 0.00 C ATOM 561 C SER A 391 -5.343 2.140 2.696 1.00 0.00 C ATOM 562 O SER A 391 -6.380 2.325 3.331 1.00 0.00 O ATOM 563 CB SER A 391 -3.234 1.114 3.594 1.00 0.00 C ATOM 564 OG SER A 391 -3.449 1.759 4.837 1.00 0.00 O ATOM 0 H SER A 391 -3.351 -0.132 1.466 1.00 0.00 H new ATOM 0 HA SER A 391 -5.171 0.177 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.702 0.176 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.600 1.736 2.963 1.00 0.00 H new ATOM 0 HG SER A 391 -2.587 1.923 5.274 1.00 0.00 H new ATOM 570 N PRO A 392 -4.874 3.067 1.832 1.00 0.00 N ATOM 571 CA PRO A 392 -5.561 4.335 1.595 1.00 0.00 C ATOM 572 C PRO A 392 -7.049 4.130 1.337 1.00 0.00 C ATOM 573 O PRO A 392 -7.878 4.965 1.701 1.00 0.00 O ATOM 574 CB PRO A 392 -4.865 4.893 0.342 1.00 0.00 C ATOM 575 CG PRO A 392 -4.012 3.788 -0.176 1.00 0.00 C ATOM 576 CD PRO A 392 -3.657 2.976 1.020 1.00 0.00 C ATOM 0 HA PRO A 392 -5.505 5.003 2.454 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.595 5.205 -0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.264 5.769 0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.547 3.190 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.120 4.176 -0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.420 1.945 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.789 3.379 1.542 1.00 0.00 H new ATOM 584 N CYS A 393 -7.373 3.007 0.709 1.00 0.00 N ATOM 585 CA CYS A 393 -8.752 2.663 0.393 1.00 0.00 C ATOM 586 C CYS A 393 -9.541 2.347 1.665 1.00 0.00 C ATOM 587 O CYS A 393 -9.125 2.699 2.769 1.00 0.00 O ATOM 588 CB CYS A 393 -8.766 1.455 -0.545 1.00 0.00 C ATOM 589 SG CYS A 393 -7.715 1.644 -2.018 1.00 0.00 S ATOM 0 H CYS A 393 -6.690 2.312 0.406 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.225 3.515 -0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.441 0.575 0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.791 1.269 -0.865 1.00 0.00 H new ATOM 594 N LYS A 394 -10.679 1.672 1.502 1.00 0.00 N ATOM 595 CA LYS A 394 -11.523 1.295 2.635 1.00 0.00 C ATOM 596 C LYS A 394 -12.579 0.276 2.209 1.00 0.00 C ATOM 597 O LYS A 394 -13.322 0.495 1.252 1.00 0.00 O ATOM 598 CB LYS A 394 -12.185 2.537 3.240 1.00 0.00 C ATOM 599 CG LYS A 394 -12.995 2.250 4.496 1.00 0.00 C ATOM 600 CD LYS A 394 -13.454 3.533 5.175 1.00 0.00 C ATOM 601 CE LYS A 394 -14.362 4.357 4.275 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.800 5.621 4.932 1.00 0.00 N ATOM 0 H LYS A 394 -11.038 1.375 0.595 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.893 0.832 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.414 3.270 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.838 2.990 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.863 1.644 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.393 1.665 5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.982 3.287 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.584 4.127 5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.838 4.592 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.237 3.767 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -15.754 5.872 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -14.815 5.489 5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.138 6.385 4.690 1.00 0.00 H new ATOM 616 N TRP A 395 -12.615 -0.855 2.915 1.00 0.00 N ATOM 617 CA TRP A 395 -13.550 -1.938 2.608 1.00 0.00 C ATOM 618 C TRP A 395 -14.968 -1.620 3.071 1.00 0.00 C ATOM 619 O TRP A 395 -15.170 -1.089 4.164 1.00 0.00 O ATOM 620 CB TRP A 395 -13.075 -3.239 3.262 1.00 0.00 C ATOM 621 CG TRP A 395 -13.784 -4.469 2.766 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.390 -5.430 3.524 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.940 -4.878 1.402 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.916 -6.408 2.712 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.650 -6.091 1.405 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.548 -4.334 0.181 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.973 -6.766 0.228 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.866 -4.998 -0.984 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.573 -6.205 -0.956 1.00 0.00 C ATOM 0 H TRP A 395 -12.003 -1.045 3.708 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.572 -2.052 1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -12.005 -3.353 3.085 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.213 -3.163 4.340 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.448 -5.423 4.602 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.422 -7.235 3.031 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -13.001 -3.403 0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.519 -7.698 0.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.565 -4.580 -1.933 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.808 -6.704 -1.885 1.00 0.00 H new ATOM 640 N HIS A 396 -15.947 -1.965 2.238 1.00 0.00 N ATOM 641 CA HIS A 396 -17.347 -1.737 2.569 1.00 0.00 C ATOM 642 C HIS A 396 -18.134 -3.040 2.522 1.00 0.00 C ATOM 643 O HIS A 396 -18.557 -3.481 1.448 1.00 0.00 O ATOM 644 CB HIS A 396 -17.977 -0.726 1.608 1.00 0.00 C ATOM 645 CG HIS A 396 -17.348 0.628 1.675 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.346 1.399 2.818 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.695 1.352 0.735 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.721 2.536 2.578 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.316 2.533 1.322 1.00 0.00 N ATOM 0 H HIS A 396 -15.794 -2.403 1.330 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.384 -1.335 3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.897 -1.106 0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.040 -0.636 1.832 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.507 1.055 -0.286 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.567 3.334 3.289 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -15.804 3.286 0.862 1.00 0.00 H new ATOM 658 N ASN A 397 -18.340 -3.641 3.693 1.00 0.00 N ATOM 659 CA ASN A 397 -19.094 -4.883 3.790 1.00 0.00 C ATOM 660 C ASN A 397 -20.585 -4.578 3.924 1.00 0.00 C ATOM 661 O ASN A 397 -21.116 -4.478 5.031 1.00 0.00 O ATOM 662 CB ASN A 397 -18.608 -5.720 4.979 1.00 0.00 C ATOM 663 CG ASN A 397 -18.615 -4.967 6.304 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.016 -3.699 6.282 1.00 0.00 O flip ATOM 665 ND2 ASN A 397 -18.260 -5.526 7.342 1.00 0.00 N flip ATOM 0 H ASN A 397 -17.995 -3.286 4.585 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.933 -5.461 2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.239 -6.604 5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.596 -6.070 4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.959 -6.500 7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -18.267 -5.015 8.225 1.00 0.00 H new ATOM 672 N ASP A 398 -21.246 -4.427 2.783 1.00 0.00 N ATOM 673 CA ASP A 398 -22.674 -4.120 2.741 1.00 0.00 C ATOM 674 C ASP A 398 -23.113 -3.930 1.297 1.00 0.00 C ATOM 675 O ASP A 398 -24.258 -4.210 0.938 1.00 0.00 O ATOM 676 CB ASP A 398 -22.979 -2.854 3.551 1.00 0.00 C ATOM 677 CG ASP A 398 -24.462 -2.534 3.596 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.046 -2.258 2.528 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.040 -2.563 4.703 1.00 0.00 O ATOM 0 H ASP A 398 -20.812 -4.513 1.864 1.00 0.00 H new ATOM 0 HA ASP A 398 -23.224 -4.951 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.607 -2.979 4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.442 -2.011 3.117 1.00 0.00 H new ATOM 684 N ALA A 399 -22.179 -3.453 0.476 1.00 0.00 N ATOM 685 CA ALA A 399 -22.429 -3.215 -0.939 1.00 0.00 C ATOM 686 C ALA A 399 -23.120 -4.414 -1.584 1.00 0.00 C ATOM 687 O ALA A 399 -23.048 -5.530 -1.069 1.00 0.00 O ATOM 688 CB ALA A 399 -21.119 -2.904 -1.653 1.00 0.00 C ATOM 0 H ALA A 399 -21.231 -3.222 0.775 1.00 0.00 H new ATOM 0 HA ALA A 399 -23.095 -2.357 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.314 -2.727 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.667 -2.014 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.437 -3.748 -1.546 1.00 0.00 H new ATOM 694 N GLU A 400 -23.794 -4.173 -2.707 1.00 0.00 N ATOM 695 CA GLU A 400 -24.506 -5.227 -3.428 1.00 0.00 C ATOM 696 C GLU A 400 -23.648 -6.482 -3.548 1.00 0.00 C ATOM 697 O GLU A 400 -24.164 -7.596 -3.636 1.00 0.00 O ATOM 698 CB GLU A 400 -24.912 -4.739 -4.820 1.00 0.00 C ATOM 699 CG GLU A 400 -25.818 -3.518 -4.801 1.00 0.00 C ATOM 700 CD GLU A 400 -27.159 -3.788 -4.141 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.174 -4.114 -2.936 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.192 -3.671 -4.831 1.00 0.00 O ATOM 0 H GLU A 400 -23.862 -3.252 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.403 -5.475 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.013 -4.504 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.419 -5.548 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.316 -2.707 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.984 -3.179 -5.823 1.00 0.00 H new ATOM 709 N ASN A 401 -22.336 -6.288 -3.541 1.00 0.00 N ATOM 710 CA ASN A 401 -21.392 -7.391 -3.638 1.00 0.00 C ATOM 711 C ASN A 401 -20.066 -6.993 -3.010 1.00 0.00 C ATOM 712 O ASN A 401 -19.000 -7.436 -3.440 1.00 0.00 O ATOM 713 CB ASN A 401 -21.191 -7.778 -5.103 1.00 0.00 C ATOM 714 CG ASN A 401 -20.580 -6.654 -5.915 1.00 0.00 C ATOM 715 OD1 ASN A 401 -19.395 -6.343 -5.781 1.00 0.00 O ATOM 716 ND2 ASN A 401 -21.394 -6.022 -6.748 1.00 0.00 N ATOM 0 H ASN A 401 -21.900 -5.369 -3.468 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.790 -8.252 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.547 -8.656 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.151 -8.058 -5.538 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.046 -5.245 -7.310 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.368 -6.313 -6.828 1.00 0.00 H new ATOM 723 N LYS A 402 -20.153 -6.145 -1.985 1.00 0.00 N ATOM 724 CA LYS A 402 -18.976 -5.656 -1.272 1.00 0.00 C ATOM 725 C LYS A 402 -18.100 -4.820 -2.202 1.00 0.00 C ATOM 726 O LYS A 402 -17.775 -5.248 -3.310 1.00 0.00 O ATOM 727 CB LYS A 402 -18.169 -6.821 -0.686 1.00 0.00 C ATOM 728 CG LYS A 402 -18.898 -7.608 0.398 1.00 0.00 C ATOM 729 CD LYS A 402 -20.048 -8.431 -0.166 1.00 0.00 C ATOM 730 CE LYS A 402 -20.754 -9.226 0.921 1.00 0.00 C ATOM 731 NZ LYS A 402 -21.335 -8.343 1.968 1.00 0.00 N ATOM 0 H LYS A 402 -21.036 -5.780 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 402 -19.314 -5.027 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.898 -7.502 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -17.239 -6.431 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.193 -8.269 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -19.281 -6.918 1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -20.763 -7.770 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.669 -9.112 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -21.545 -9.828 0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -20.048 -9.918 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -21.987 -8.893 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.571 -7.955 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -21.854 -7.563 1.516 1.00 0.00 H new ATOM 745 N LYS A 403 -17.736 -3.616 -1.764 1.00 0.00 N ATOM 746 CA LYS A 403 -16.920 -2.731 -2.596 1.00 0.00 C ATOM 747 C LYS A 403 -15.920 -1.918 -1.776 1.00 0.00 C ATOM 748 O LYS A 403 -16.232 -1.451 -0.681 1.00 0.00 O ATOM 749 CB LYS A 403 -17.828 -1.778 -3.375 1.00 0.00 C ATOM 750 CG LYS A 403 -18.774 -2.478 -4.336 1.00 0.00 C ATOM 751 CD LYS A 403 -18.030 -3.109 -5.507 1.00 0.00 C ATOM 752 CE LYS A 403 -17.270 -2.068 -6.316 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.173 -1.021 -6.867 1.00 0.00 N ATOM 0 H LYS A 403 -17.988 -3.234 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.351 -3.362 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.413 -1.190 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.208 -1.078 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.330 -3.248 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.504 -1.762 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.333 -3.860 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.739 -3.626 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -16.514 -1.600 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -16.743 -2.559 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -17.653 -0.443 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.984 -1.473 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -18.513 -0.414 -6.094 1.00 0.00 H new ATOM 767 N CYS A 404 -14.719 -1.734 -2.328 1.00 0.00 N ATOM 768 CA CYS A 404 -13.682 -0.951 -1.663 1.00 0.00 C ATOM 769 C CYS A 404 -13.504 0.390 -2.365 1.00 0.00 C ATOM 770 O CYS A 404 -13.519 0.463 -3.593 1.00 0.00 O ATOM 771 CB CYS A 404 -12.349 -1.705 -1.624 1.00 0.00 C ATOM 772 SG CYS A 404 -11.646 -1.821 0.055 1.00 0.00 S ATOM 0 H CYS A 404 -14.443 -2.117 -3.232 1.00 0.00 H new ATOM 0 HA CYS A 404 -14.001 -0.779 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.494 -2.709 -2.022 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -11.635 -1.204 -2.277 1.00 0.00 H new ATOM 777 N THR A 405 -13.347 1.453 -1.580 1.00 0.00 N ATOM 778 CA THR A 405 -13.180 2.790 -2.135 1.00 0.00 C ATOM 779 C THR A 405 -12.154 3.597 -1.349 1.00 0.00 C ATOM 780 O THR A 405 -11.972 3.397 -0.146 1.00 0.00 O ATOM 781 CB THR A 405 -14.512 3.564 -2.158 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.015 3.713 -0.827 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.544 2.850 -3.018 1.00 0.00 C ATOM 0 H THR A 405 -13.332 1.413 -0.561 1.00 0.00 H new ATOM 0 HA THR A 405 -12.826 2.657 -3.157 1.00 0.00 H new ATOM 0 HB THR A 405 -14.324 4.548 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.861 4.207 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.474 3.418 -3.017 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.172 2.766 -4.039 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.726 1.854 -2.615 1.00 0.00 H new ATOM 791 N LEU A 406 -11.485 4.508 -2.047 1.00 0.00 N ATOM 792 CA LEU A 406 -10.470 5.360 -1.448 1.00 0.00 C ATOM 793 C LEU A 406 -11.085 6.294 -0.416 1.00 0.00 C ATOM 794 O LEU A 406 -12.203 6.780 -0.586 1.00 0.00 O ATOM 795 CB LEU A 406 -9.762 6.159 -2.542 1.00 0.00 C ATOM 796 CG LEU A 406 -8.479 6.885 -2.129 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.792 8.125 -1.312 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.558 5.948 -1.364 1.00 0.00 C ATOM 0 H LEU A 406 -11.632 4.675 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.741 4.732 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.523 5.480 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.462 6.897 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.964 7.206 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.862 8.621 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.403 8.806 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.336 7.840 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.651 6.482 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.065 5.590 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.296 5.099 -1.996 1.00 0.00 H new ATOM 810 N ASP A 407 -10.340 6.537 0.652 1.00 0.00 N ATOM 811 CA ASP A 407 -10.797 7.413 1.724 1.00 0.00 C ATOM 812 C ASP A 407 -9.885 8.629 1.857 1.00 0.00 C ATOM 813 O ASP A 407 -8.660 8.502 1.837 1.00 0.00 O ATOM 814 CB ASP A 407 -10.849 6.646 3.045 1.00 0.00 C ATOM 815 CG ASP A 407 -11.428 7.474 4.176 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.583 7.929 4.046 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.727 7.665 5.191 1.00 0.00 O ATOM 0 H ASP A 407 -9.413 6.139 0.801 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.799 7.762 1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.449 5.745 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.843 6.323 3.314 1.00 0.00 H new ATOM 822 N LYS A 408 -10.489 9.807 1.986 1.00 0.00 N ATOM 823 CA LYS A 408 -9.731 11.047 2.116 1.00 0.00 C ATOM 824 C LYS A 408 -8.971 11.095 3.438 1.00 0.00 C ATOM 825 O LYS A 408 -7.793 11.452 3.474 1.00 0.00 O ATOM 826 CB LYS A 408 -10.656 12.265 2.007 1.00 0.00 C ATOM 827 CG LYS A 408 -11.319 12.427 0.645 1.00 0.00 C ATOM 828 CD LYS A 408 -12.374 11.359 0.395 1.00 0.00 C ATOM 829 CE LYS A 408 -13.018 11.520 -0.973 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.023 11.388 -2.073 1.00 0.00 N ATOM 0 H LYS A 408 -11.502 9.929 2.003 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.009 11.075 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.432 12.187 2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.081 13.164 2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.779 13.413 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.560 12.377 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.918 10.372 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -13.141 11.416 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -13.799 10.770 -1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.501 12.495 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.520 11.283 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.424 12.238 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.429 10.551 -1.905 1.00 0.00 H new ATOM 844 N GLU A 409 -9.652 10.743 4.524 1.00 0.00 N ATOM 845 CA GLU A 409 -9.044 10.754 5.849 1.00 0.00 C ATOM 846 C GLU A 409 -7.891 9.757 5.940 1.00 0.00 C ATOM 847 O GLU A 409 -6.856 10.045 6.541 1.00 0.00 O ATOM 848 CB GLU A 409 -10.096 10.437 6.912 1.00 0.00 C ATOM 849 CG GLU A 409 -9.549 10.446 8.328 1.00 0.00 C ATOM 850 CD GLU A 409 -10.605 10.117 9.363 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.602 10.865 9.451 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.436 9.113 10.085 1.00 0.00 O ATOM 0 H GLU A 409 -10.628 10.446 4.512 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.642 11.751 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.905 11.164 6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.527 9.458 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.735 9.725 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.127 11.427 8.544 1.00 0.00 H new ATOM 859 N GLU A 410 -8.079 8.582 5.352 1.00 0.00 N ATOM 860 CA GLU A 410 -7.056 7.544 5.378 1.00 0.00 C ATOM 861 C GLU A 410 -5.850 7.940 4.529 1.00 0.00 C ATOM 862 O GLU A 410 -4.705 7.787 4.951 1.00 0.00 O ATOM 863 CB GLU A 410 -7.635 6.219 4.878 1.00 0.00 C ATOM 864 CG GLU A 410 -6.658 5.053 4.948 1.00 0.00 C ATOM 865 CD GLU A 410 -6.283 4.681 6.372 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.820 5.305 7.314 1.00 0.00 O ATOM 867 OE2 GLU A 410 -5.455 3.763 6.545 1.00 0.00 O ATOM 0 H GLU A 410 -8.930 8.324 4.852 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.723 7.423 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.519 5.975 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.963 6.344 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.099 4.186 4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -5.754 5.309 4.395 1.00 0.00 H new ATOM 874 N ALA A 411 -6.118 8.439 3.327 1.00 0.00 N ATOM 875 CA ALA A 411 -5.059 8.845 2.409 1.00 0.00 C ATOM 876 C ALA A 411 -4.220 9.987 2.972 1.00 0.00 C ATOM 877 O ALA A 411 -2.993 9.958 2.892 1.00 0.00 O ATOM 878 CB ALA A 411 -5.653 9.245 1.068 1.00 0.00 C ATOM 0 H ALA A 411 -7.062 8.572 2.965 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.398 7.989 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.853 9.546 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.190 8.398 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.342 10.078 1.209 1.00 0.00 H new ATOM 884 N LYS A 412 -4.880 10.997 3.528 1.00 0.00 N ATOM 885 CA LYS A 412 -4.173 12.145 4.085 1.00 0.00 C ATOM 886 C LYS A 412 -3.250 11.720 5.225 1.00 0.00 C ATOM 887 O LYS A 412 -2.112 12.180 5.316 1.00 0.00 O ATOM 888 CB LYS A 412 -5.164 13.211 4.565 1.00 0.00 C ATOM 889 CG LYS A 412 -6.075 12.747 5.690 1.00 0.00 C ATOM 890 CD LYS A 412 -7.046 13.839 6.115 1.00 0.00 C ATOM 891 CE LYS A 412 -6.321 15.059 6.664 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.512 14.730 7.868 1.00 0.00 N ATOM 0 H LYS A 412 -5.896 11.045 3.605 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.559 12.576 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.607 14.086 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.778 13.528 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.634 11.869 5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.471 12.444 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.658 14.133 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.724 13.447 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.672 15.473 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -7.049 15.831 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.201 15.609 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.089 14.176 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.680 14.174 7.586 1.00 0.00 H new ATOM 906 N LYS A 413 -3.746 10.846 6.096 1.00 0.00 N ATOM 907 CA LYS A 413 -2.969 10.369 7.227 1.00 0.00 C ATOM 908 C LYS A 413 -1.733 9.594 6.771 1.00 0.00 C ATOM 909 O LYS A 413 -0.630 9.824 7.266 1.00 0.00 O ATOM 910 CB LYS A 413 -3.836 9.478 8.112 1.00 0.00 C ATOM 911 CG LYS A 413 -3.265 9.291 9.502 1.00 0.00 C ATOM 912 CD LYS A 413 -4.091 8.322 10.333 1.00 0.00 C ATOM 913 CE LYS A 413 -4.087 6.926 9.733 1.00 0.00 C ATOM 914 NZ LYS A 413 -4.871 5.964 10.555 1.00 0.00 N ATOM 0 H LYS A 413 -4.686 10.455 6.037 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.634 11.238 7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.833 9.912 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.949 8.503 7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -2.242 8.923 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -3.220 10.255 10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -3.695 8.283 11.348 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -5.116 8.685 10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -4.501 6.963 8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -3.060 6.573 9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -4.843 5.024 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -4.461 5.908 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -5.858 6.286 10.620 1.00 0.00 H new ATOM 928 N VAL A 414 -1.927 8.668 5.834 1.00 0.00 N ATOM 929 CA VAL A 414 -0.825 7.854 5.325 1.00 0.00 C ATOM 930 C VAL A 414 0.212 8.706 4.598 1.00 0.00 C ATOM 931 O VAL A 414 1.412 8.584 4.847 1.00 0.00 O ATOM 932 CB VAL A 414 -1.335 6.756 4.373 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.178 5.924 3.840 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.352 5.871 5.078 1.00 0.00 C ATOM 0 H VAL A 414 -2.833 8.463 5.413 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.354 7.387 6.190 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.825 7.237 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.561 5.155 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.513 6.568 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.345 5.452 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.702 5.101 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.887 5.401 5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.197 6.477 5.405 1.00 0.00 H new ATOM 944 N ALA A 415 -0.258 9.566 3.700 1.00 0.00 N ATOM 945 CA ALA A 415 0.626 10.437 2.935 1.00 0.00 C ATOM 946 C ALA A 415 1.452 11.326 3.856 1.00 0.00 C ATOM 947 O ALA A 415 2.620 11.604 3.585 1.00 0.00 O ATOM 948 CB ALA A 415 -0.180 11.286 1.966 1.00 0.00 C ATOM 0 H ALA A 415 -1.249 9.678 3.484 1.00 0.00 H new ATOM 0 HA ALA A 415 1.312 9.808 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.493 11.932 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.723 10.637 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.889 11.899 2.522 1.00 0.00 H new ATOM 954 N ASP A 416 0.834 11.771 4.946 1.00 0.00 N ATOM 955 CA ASP A 416 1.508 12.632 5.911 1.00 0.00 C ATOM 956 C ASP A 416 2.386 11.804 6.846 1.00 0.00 C ATOM 957 O ASP A 416 2.473 12.071 8.044 1.00 0.00 O ATOM 958 CB ASP A 416 0.475 13.425 6.715 1.00 0.00 C ATOM 959 CG ASP A 416 1.070 14.635 7.413 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.954 14.456 8.276 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.648 15.768 7.096 1.00 0.00 O ATOM 0 H ASP A 416 -0.133 11.549 5.183 1.00 0.00 H new ATOM 0 HA ASP A 416 2.147 13.330 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.323 13.753 6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.021 12.770 7.459 1.00 0.00 H new ATOM 966 N GLU A 417 3.029 10.787 6.287 1.00 0.00 N ATOM 967 CA GLU A 417 3.888 9.911 7.049 1.00 0.00 C ATOM 968 C GLU A 417 4.941 9.260 6.153 1.00 0.00 C ATOM 969 O GLU A 417 6.136 9.320 6.441 1.00 0.00 O ATOM 970 CB GLU A 417 3.051 8.838 7.735 1.00 0.00 C ATOM 971 CG GLU A 417 3.895 7.730 8.310 1.00 0.00 C ATOM 972 CD GLU A 417 3.150 6.879 9.320 1.00 0.00 C ATOM 973 OE1 GLU A 417 2.120 6.279 8.945 1.00 0.00 O ATOM 974 OE2 GLU A 417 3.596 6.814 10.484 1.00 0.00 O ATOM 0 H GLU A 417 2.966 10.553 5.296 1.00 0.00 H new ATOM 0 HA GLU A 417 4.405 10.505 7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.463 9.294 8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 417 2.345 8.418 7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 417 4.250 7.094 7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 417 4.775 8.161 8.786 1.00 0.00 H new ATOM 981 N THR A 418 4.490 8.637 5.067 1.00 0.00 N ATOM 982 CA THR A 418 5.396 7.976 4.134 1.00 0.00 C ATOM 983 C THR A 418 6.072 8.984 3.217 1.00 0.00 C ATOM 984 O THR A 418 6.913 8.627 2.392 1.00 0.00 O ATOM 985 CB THR A 418 4.659 6.930 3.278 1.00 0.00 C ATOM 986 OG1 THR A 418 3.642 7.567 2.496 1.00 0.00 O ATOM 987 CG2 THR A 418 4.031 5.860 4.157 1.00 0.00 C ATOM 0 H THR A 418 3.504 8.577 4.812 1.00 0.00 H new ATOM 0 HA THR A 418 6.153 7.472 4.734 1.00 0.00 H new ATOM 0 HB THR A 418 5.384 6.457 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 418 3.178 6.896 1.953 1.00 0.00 H new ATOM 0 HG21 THR A 418 3.516 5.131 3.531 1.00 0.00 H new ATOM 0 HG22 THR A 418 4.809 5.358 4.732 1.00 0.00 H new ATOM 0 HG23 THR A 418 3.317 6.322 4.839 1.00 0.00 H new ATOM 995 N ALA A 419 5.691 10.241 3.375 1.00 0.00 N ATOM 996 CA ALA A 419 6.241 11.329 2.573 1.00 0.00 C ATOM 997 C ALA A 419 6.154 11.018 1.082 1.00 0.00 C ATOM 998 O ALA A 419 7.003 11.445 0.298 1.00 0.00 O ATOM 999 CB ALA A 419 7.683 11.603 2.976 1.00 0.00 C ATOM 0 H ALA A 419 4.995 10.538 4.059 1.00 0.00 H new ATOM 0 HA ALA A 419 5.645 12.222 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 419 8.082 12.417 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 419 7.720 11.883 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 419 8.282 10.706 2.818 1.00 0.00 H new ATOM 1005 N LYS A 420 5.123 10.272 0.697 1.00 0.00 N ATOM 1006 CA LYS A 420 4.921 9.905 -0.701 1.00 0.00 C ATOM 1007 C LYS A 420 4.088 10.956 -1.427 1.00 0.00 C ATOM 1008 O LYS A 420 3.169 10.624 -2.177 1.00 0.00 O ATOM 1009 CB LYS A 420 4.242 8.536 -0.796 1.00 0.00 C ATOM 1010 CG LYS A 420 5.067 7.402 -0.204 1.00 0.00 C ATOM 1011 CD LYS A 420 6.375 7.201 -0.956 1.00 0.00 C ATOM 1012 CE LYS A 420 6.134 6.791 -2.401 1.00 0.00 C ATOM 1013 NZ LYS A 420 7.410 6.604 -3.145 1.00 0.00 N ATOM 0 H LYS A 420 4.414 9.909 1.334 1.00 0.00 H new ATOM 0 HA LYS A 420 5.897 9.852 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 420 3.281 8.580 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 420 4.035 8.315 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 420 5.279 7.616 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 420 4.487 6.479 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 420 6.955 8.124 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 420 6.970 6.437 -0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 420 5.561 5.864 -2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 420 5.532 7.551 -2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 7.203 6.325 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 7.946 7.495 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 7.974 5.861 -2.686 1.00 0.00 H new ATOM 1027 N ASP A 421 4.414 12.225 -1.200 1.00 0.00 N ATOM 1028 CA ASP A 421 3.694 13.325 -1.832 1.00 0.00 C ATOM 1029 C ASP A 421 3.807 13.253 -3.351 1.00 0.00 C ATOM 1030 O ASP A 421 2.826 13.458 -4.066 1.00 0.00 O ATOM 1031 CB ASP A 421 4.234 14.667 -1.335 1.00 0.00 C ATOM 1032 CG ASP A 421 4.099 14.826 0.167 1.00 0.00 C ATOM 1033 OD1 ASP A 421 2.957 14.777 0.669 1.00 0.00 O ATOM 1034 OD2 ASP A 421 5.136 15.001 0.840 1.00 0.00 O ATOM 0 H ASP A 421 5.172 12.517 -0.583 1.00 0.00 H new ATOM 0 HA ASP A 421 2.642 13.238 -1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 421 5.284 14.759 -1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 421 3.700 15.477 -1.832 1.00 0.00 H new ATOM 1039 N GLY A 422 5.012 12.967 -3.838 1.00 0.00 N ATOM 1040 CA GLY A 422 5.232 12.880 -5.271 1.00 0.00 C ATOM 1041 C GLY A 422 4.932 14.187 -5.976 1.00 0.00 C ATOM 1042 O GLY A 422 4.314 14.200 -7.041 1.00 0.00 O ATOM 0 H GLY A 422 5.839 12.794 -3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 422 6.267 12.596 -5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 422 4.603 12.092 -5.686 1.00 0.00 H new ATOM 1046 N LYS A 423 5.367 15.291 -5.374 1.00 0.00 N ATOM 1047 CA LYS A 423 5.142 16.617 -5.938 1.00 0.00 C ATOM 1048 C LYS A 423 6.158 16.928 -7.037 1.00 0.00 C ATOM 1049 O LYS A 423 6.657 18.051 -7.127 1.00 0.00 O ATOM 1050 CB LYS A 423 5.224 17.673 -4.834 1.00 0.00 C ATOM 1051 CG LYS A 423 4.230 17.449 -3.706 1.00 0.00 C ATOM 1052 CD LYS A 423 4.405 18.473 -2.595 1.00 0.00 C ATOM 1053 CE LYS A 423 3.436 18.221 -1.450 1.00 0.00 C ATOM 1054 NZ LYS A 423 3.639 19.182 -0.330 1.00 0.00 N ATOM 0 H LYS A 423 5.879 15.292 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 423 4.147 16.635 -6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 423 6.233 17.679 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 423 5.051 18.657 -5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 423 3.215 17.506 -4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 423 4.359 16.445 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 423 5.429 18.436 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 423 4.247 19.475 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 423 2.412 18.301 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 423 3.565 17.203 -1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 2.960 18.977 0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 4.608 19.088 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 3.491 20.152 -0.674 1.00 0.00 H new ATOM 1068 N THR A 424 6.451 15.924 -7.867 1.00 0.00 N ATOM 1069 CA THR A 424 7.405 16.063 -8.971 1.00 0.00 C ATOM 1070 C THR A 424 8.849 16.104 -8.471 1.00 0.00 C ATOM 1071 O THR A 424 9.720 15.424 -9.015 1.00 0.00 O ATOM 1072 CB THR A 424 7.125 17.323 -9.820 1.00 0.00 C ATOM 1073 OG1 THR A 424 5.794 17.274 -10.347 1.00 0.00 O ATOM 1074 CG2 THR A 424 8.122 17.439 -10.965 1.00 0.00 C ATOM 0 H THR A 424 6.036 14.995 -7.794 1.00 0.00 H new ATOM 0 HA THR A 424 7.272 15.181 -9.597 1.00 0.00 H new ATOM 0 HB THR A 424 7.230 18.196 -9.176 1.00 0.00 H new ATOM 0 HG1 THR A 424 5.624 18.077 -10.882 1.00 0.00 H new ATOM 0 HG21 THR A 424 7.904 18.334 -11.548 1.00 0.00 H new ATOM 0 HG22 THR A 424 9.133 17.506 -10.562 1.00 0.00 H new ATOM 0 HG23 THR A 424 8.044 16.561 -11.606 1.00 0.00 H new ATOM 1082 N GLY A 425 9.100 16.903 -7.437 1.00 0.00 N ATOM 1083 CA GLY A 425 10.440 17.013 -6.890 1.00 0.00 C ATOM 1084 C GLY A 425 11.435 17.550 -7.902 1.00 0.00 C ATOM 1085 O GLY A 425 11.121 18.462 -8.666 1.00 0.00 O ATOM 0 H GLY A 425 8.398 17.476 -6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 425 10.422 17.669 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 425 10.770 16.033 -6.544 1.00 0.00 H new ATOM 1089 N ASN A 426 12.638 16.983 -7.906 1.00 0.00 N ATOM 1090 CA ASN A 426 13.682 17.408 -8.831 1.00 0.00 C ATOM 1091 C ASN A 426 13.292 17.103 -10.275 1.00 0.00 C ATOM 1092 O ASN A 426 12.742 16.041 -10.567 1.00 0.00 O ATOM 1093 CB ASN A 426 15.005 16.720 -8.490 1.00 0.00 C ATOM 1094 CG ASN A 426 16.141 17.172 -9.386 1.00 0.00 C ATOM 1095 OD1 ASN A 426 16.481 18.355 -9.427 1.00 0.00 O ATOM 1096 ND2 ASN A 426 16.733 16.231 -10.111 1.00 0.00 N ATOM 0 H ASN A 426 12.913 16.228 -7.278 1.00 0.00 H new ATOM 0 HA ASN A 426 13.804 18.486 -8.729 1.00 0.00 H new ATOM 0 HB2 ASN A 426 15.261 16.927 -7.451 1.00 0.00 H new ATOM 0 HB3 ASN A 426 14.883 15.641 -8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 426 17.503 16.476 -10.734 1.00 0.00 H new ATOM 0 HD22 ASN A 426 16.418 15.263 -10.045 1.00 0.00 H new ATOM 1103 N THR A 427 13.579 18.044 -11.171 1.00 0.00 N ATOM 1104 CA THR A 427 13.257 17.882 -12.587 1.00 0.00 C ATOM 1105 C THR A 427 14.105 16.780 -13.229 1.00 0.00 C ATOM 1106 O THR A 427 14.226 15.685 -12.681 1.00 0.00 O ATOM 1107 CB THR A 427 13.451 19.201 -13.358 1.00 0.00 C ATOM 1108 OG1 THR A 427 14.803 19.655 -13.225 1.00 0.00 O ATOM 1109 CG2 THR A 427 12.500 20.271 -12.847 1.00 0.00 C ATOM 0 H THR A 427 14.034 18.927 -10.942 1.00 0.00 H new ATOM 0 HA THR A 427 12.208 17.593 -12.644 1.00 0.00 H new ATOM 0 HB THR A 427 13.233 19.015 -14.410 1.00 0.00 H new ATOM 0 HG1 THR A 427 14.917 20.493 -13.720 1.00 0.00 H new ATOM 0 HG21 THR A 427 12.656 21.193 -13.407 1.00 0.00 H new ATOM 0 HG22 THR A 427 11.471 19.936 -12.978 1.00 0.00 H new ATOM 0 HG23 THR A 427 12.690 20.452 -11.789 1.00 0.00 H new ATOM 1117 N ASN A 428 14.685 17.070 -14.394 1.00 0.00 N ATOM 1118 CA ASN A 428 15.508 16.100 -15.101 1.00 0.00 C ATOM 1119 C ASN A 428 16.796 15.810 -14.333 1.00 0.00 C ATOM 1120 O ASN A 428 16.819 15.850 -13.103 1.00 0.00 O ATOM 1121 CB ASN A 428 15.834 16.611 -16.508 1.00 0.00 C ATOM 1122 CG ASN A 428 14.591 16.844 -17.342 1.00 0.00 C ATOM 1123 OD1 ASN A 428 13.733 17.652 -16.987 1.00 0.00 O ATOM 1124 ND2 ASN A 428 14.487 16.134 -18.460 1.00 0.00 N ATOM 0 H ASN A 428 14.597 17.971 -14.865 1.00 0.00 H new ATOM 0 HA ASN A 428 14.945 15.170 -15.182 1.00 0.00 H new ATOM 0 HB2 ASN A 428 16.397 17.542 -16.432 1.00 0.00 H new ATOM 0 HB3 ASN A 428 16.477 15.890 -17.013 1.00 0.00 H new ATOM 0 HD21 ASN A 428 13.672 16.248 -19.062 1.00 0.00 H new ATOM 0 HD22 ASN A 428 15.222 15.475 -18.716 1.00 0.00 H new ATOM 1131 N THR A 429 17.870 15.522 -15.064 1.00 0.00 N ATOM 1132 CA THR A 429 19.155 15.232 -14.443 1.00 0.00 C ATOM 1133 C THR A 429 19.754 16.486 -13.817 1.00 0.00 C ATOM 1134 O THR A 429 20.011 17.472 -14.508 1.00 0.00 O ATOM 1135 CB THR A 429 20.153 14.653 -15.463 1.00 0.00 C ATOM 1136 OG1 THR A 429 20.353 15.583 -16.534 1.00 0.00 O ATOM 1137 CG2 THR A 429 19.649 13.331 -16.022 1.00 0.00 C ATOM 0 H THR A 429 17.874 15.484 -16.083 1.00 0.00 H new ATOM 0 HA THR A 429 18.973 14.491 -13.665 1.00 0.00 H new ATOM 0 HB THR A 429 21.100 14.477 -14.952 1.00 0.00 H new ATOM 0 HG1 THR A 429 20.299 16.498 -16.187 1.00 0.00 H new ATOM 0 HG21 THR A 429 20.370 12.941 -16.740 1.00 0.00 H new ATOM 0 HG22 THR A 429 19.524 12.616 -15.209 1.00 0.00 H new ATOM 0 HG23 THR A 429 18.691 13.487 -16.518 1.00 0.00 H new ATOM 1145 N THR A 430 19.977 16.434 -12.504 1.00 0.00 N ATOM 1146 CA THR A 430 20.550 17.559 -11.769 1.00 0.00 C ATOM 1147 C THR A 430 19.885 18.878 -12.155 1.00 0.00 C ATOM 1148 O THR A 430 20.550 19.908 -12.270 1.00 0.00 O ATOM 1149 CB THR A 430 22.070 17.672 -12.007 1.00 0.00 C ATOM 1150 OG1 THR A 430 22.338 17.876 -13.400 1.00 0.00 O ATOM 1151 CG2 THR A 430 22.786 16.418 -11.528 1.00 0.00 C ATOM 0 H THR A 430 19.768 15.620 -11.926 1.00 0.00 H new ATOM 0 HA THR A 430 20.367 17.365 -10.712 1.00 0.00 H new ATOM 0 HB THR A 430 22.440 18.525 -11.439 1.00 0.00 H new ATOM 0 HG1 THR A 430 21.499 18.062 -13.871 1.00 0.00 H new ATOM 0 HG21 THR A 430 23.857 16.520 -11.706 1.00 0.00 H new ATOM 0 HG22 THR A 430 22.607 16.282 -10.462 1.00 0.00 H new ATOM 0 HG23 THR A 430 22.408 15.553 -12.073 1.00 0.00 H new ATOM 1159 N GLY A 431 18.569 18.842 -12.356 1.00 0.00 N ATOM 1160 CA GLY A 431 17.846 20.043 -12.727 1.00 0.00 C ATOM 1161 C GLY A 431 17.883 21.102 -11.643 1.00 0.00 C ATOM 1162 O GLY A 431 17.590 20.820 -10.480 1.00 0.00 O ATOM 0 H GLY A 431 17.994 18.004 -12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 431 18.272 20.451 -13.644 1.00 0.00 H new ATOM 0 HA3 GLY A 431 16.809 19.786 -12.944 1.00 0.00 H new ATOM 1166 N SER A 432 18.242 22.323 -12.027 1.00 0.00 N ATOM 1167 CA SER A 432 18.317 23.434 -11.085 1.00 0.00 C ATOM 1168 C SER A 432 16.929 23.998 -10.793 1.00 0.00 C ATOM 1169 O SER A 432 16.634 25.150 -11.116 1.00 0.00 O ATOM 1170 CB SER A 432 19.225 24.536 -11.637 1.00 0.00 C ATOM 1171 OG SER A 432 19.319 25.622 -10.731 1.00 0.00 O ATOM 0 H SER A 432 18.486 22.568 -12.987 1.00 0.00 H new ATOM 0 HA SER A 432 18.738 23.059 -10.152 1.00 0.00 H new ATOM 0 HB2 SER A 432 20.219 24.131 -11.828 1.00 0.00 H new ATOM 0 HB3 SER A 432 18.835 24.888 -12.592 1.00 0.00 H new ATOM 0 HG SER A 432 18.424 25.981 -10.556 1.00 0.00 H new ATOM 1177 N SER A 433 16.079 23.179 -10.181 1.00 0.00 N ATOM 1178 CA SER A 433 14.721 23.593 -9.846 1.00 0.00 C ATOM 1179 C SER A 433 14.737 24.789 -8.899 1.00 0.00 C ATOM 1180 O SER A 433 14.534 25.924 -9.378 1.00 0.00 O ATOM 1181 CB SER A 433 13.956 22.432 -9.210 1.00 0.00 C ATOM 1182 OG SER A 433 13.895 21.320 -10.087 1.00 0.00 O ATOM 1183 OXT SER A 433 14.952 24.580 -7.687 1.00 0.00 O ATOM 0 H SER A 433 16.307 22.223 -9.907 1.00 0.00 H new ATOM 0 HA SER A 433 14.218 23.889 -10.767 1.00 0.00 H new ATOM 0 HB2 SER A 433 14.442 22.139 -8.279 1.00 0.00 H new ATOM 0 HB3 SER A 433 12.946 22.754 -8.955 1.00 0.00 H new ATOM 0 HG SER A 433 13.161 20.730 -9.816 1.00 0.00 H new TER 1189 SER A 433