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 394 LYS NZ :NH3+ 160:sc= -0.707 (180deg=-0.252) USER MOD Set 1.2: A 396 HIS : no HE2:sc= 0.249 K(o=0.77,f=-7.2!) USER MOD Set 1.3: A 405 THR OG1 : rot -87:sc= 1.23 USER MOD Set 2.1: A 380 SER OG : rot 180:sc= 0.265 USER MOD Set 2.2: A 384 LYS NZ :NH3+ -113:sc= 0.249 (180deg=0) USER MOD Set 3.1: A 366 LYS NZ :NH3+ -120:sc= -0.329 (180deg=-0.342) USER MOD Set 3.2: A 390 LYS NZ :NH3+ 149:sc= -0.0628 (180deg=0) USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 357 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot 180:sc= -0.0856 USER MOD Single : A 363 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 LYS NZ :NH3+ -166:sc= -0.0414 (180deg=-0.254) USER MOD Single : A 365 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.7!) 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 373 GLN : amide:sc= 0.00731 X(o=0.0073,f=-0.4) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.73 F(o=-6.5!,f=-1.7) USER MOD Single : A 383 LYS NZ :NH3+ -165:sc= -0.0551 (180deg=-0.301) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.0936 K(o=0.094,f=-3.8!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 397 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.4!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.598 F(o=-5.1!,f=-0.6) USER MOD Single : A 402 LYS NZ :NH3+ 163:sc= -0.0641 (180deg=-0.359) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 10:sc= 0.65 USER MOD Single : A 420 LYS NZ :NH3+ 144:sc= -3.22! (180deg=-5.81!) USER MOD Single : A 423 LYS NZ :NH3+ -166:sc= -0.0478 (180deg=-0.308) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= 0.128 K(o=0.13,f=-3.8!) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -0.94 K(o=-0.94,f=-2.2) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 10.861 -11.564 -16.026 1.00 0.00 N ATOM 2 CA GLY A 354 12.308 -11.285 -16.235 1.00 0.00 C ATOM 3 C GLY A 354 13.186 -11.966 -15.204 1.00 0.00 C ATOM 4 O GLY A 354 14.117 -11.358 -14.674 1.00 0.00 O ATOM 0 HA2 GLY A 354 12.599 -11.618 -17.231 1.00 0.00 H new ATOM 0 HA3 GLY A 354 12.476 -10.209 -16.197 1.00 0.00 H new ATOM 10 N SER A 355 12.889 -13.232 -14.921 1.00 0.00 N ATOM 11 CA SER A 355 13.657 -14.004 -13.949 1.00 0.00 C ATOM 12 C SER A 355 13.651 -13.322 -12.579 1.00 0.00 C ATOM 13 O SER A 355 12.623 -12.804 -12.143 1.00 0.00 O ATOM 14 CB SER A 355 15.093 -14.196 -14.444 1.00 0.00 C ATOM 15 OG SER A 355 15.118 -14.882 -15.685 1.00 0.00 O ATOM 0 H SER A 355 12.120 -13.745 -15.352 1.00 0.00 H new ATOM 0 HA SER A 355 13.187 -14.982 -13.841 1.00 0.00 H new ATOM 0 HB2 SER A 355 15.577 -13.225 -14.552 1.00 0.00 H new ATOM 0 HB3 SER A 355 15.664 -14.756 -13.704 1.00 0.00 H new ATOM 0 HG SER A 355 16.046 -14.990 -15.980 1.00 0.00 H new ATOM 21 N HIS A 356 14.798 -13.327 -11.905 1.00 0.00 N ATOM 22 CA HIS A 356 14.915 -12.711 -10.587 1.00 0.00 C ATOM 23 C HIS A 356 14.666 -11.207 -10.661 1.00 0.00 C ATOM 24 O HIS A 356 15.186 -10.525 -11.545 1.00 0.00 O ATOM 25 CB HIS A 356 16.302 -12.982 -9.997 1.00 0.00 C ATOM 26 CG HIS A 356 16.496 -12.403 -8.630 1.00 0.00 C ATOM 27 ND1 HIS A 356 15.726 -12.763 -7.544 1.00 0.00 N ATOM 28 CD2 HIS A 356 17.380 -11.484 -8.175 1.00 0.00 C ATOM 29 CE1 HIS A 356 16.127 -12.089 -6.481 1.00 0.00 C ATOM 30 NE2 HIS A 356 17.129 -11.307 -6.836 1.00 0.00 N ATOM 0 H HIS A 356 15.659 -13.751 -12.250 1.00 0.00 H new ATOM 0 HA HIS A 356 14.158 -13.153 -9.940 1.00 0.00 H new ATOM 0 HB2 HIS A 356 16.465 -14.059 -9.953 1.00 0.00 H new ATOM 0 HB3 HIS A 356 17.059 -12.573 -10.666 1.00 0.00 H new ATOM 0 HD2 HIS A 356 18.140 -10.984 -8.756 1.00 0.00 H new ATOM 0 HE1 HIS A 356 15.706 -12.165 -5.489 1.00 0.00 H new ATOM 0 HE2 HIS A 356 17.635 -10.674 -6.217 1.00 0.00 H new ATOM 39 N MET A 357 13.872 -10.697 -9.724 1.00 0.00 N ATOM 40 CA MET A 357 13.556 -9.273 -9.678 1.00 0.00 C ATOM 41 C MET A 357 14.824 -8.442 -9.512 1.00 0.00 C ATOM 42 O MET A 357 15.702 -8.784 -8.718 1.00 0.00 O ATOM 43 CB MET A 357 12.588 -8.980 -8.531 1.00 0.00 C ATOM 44 CG MET A 357 11.248 -9.684 -8.665 1.00 0.00 C ATOM 45 SD MET A 357 10.349 -9.196 -10.150 1.00 0.00 S ATOM 46 CE MET A 357 8.863 -10.180 -9.984 1.00 0.00 C ATOM 0 H MET A 357 13.435 -11.249 -8.986 1.00 0.00 H new ATOM 0 HA MET A 357 13.083 -9.000 -10.621 1.00 0.00 H new ATOM 0 HB2 MET A 357 13.052 -9.278 -7.591 1.00 0.00 H new ATOM 0 HB3 MET A 357 12.419 -7.905 -8.476 1.00 0.00 H new ATOM 0 HG2 MET A 357 11.409 -10.762 -8.681 1.00 0.00 H new ATOM 0 HG3 MET A 357 10.638 -9.465 -7.788 1.00 0.00 H new ATOM 0 HE1 MET A 357 8.203 -9.988 -10.830 1.00 0.00 H new ATOM 0 HE2 MET A 357 9.127 -11.237 -9.962 1.00 0.00 H new ATOM 0 HE3 MET A 357 8.352 -9.914 -9.058 1.00 0.00 H new ATOM 56 N LEU A 358 14.915 -7.353 -10.267 1.00 0.00 N ATOM 57 CA LEU A 358 16.078 -6.475 -10.206 1.00 0.00 C ATOM 58 C LEU A 358 16.240 -5.877 -8.815 1.00 0.00 C ATOM 59 O LEU A 358 17.332 -5.889 -8.247 1.00 0.00 O ATOM 60 CB LEU A 358 15.958 -5.359 -11.246 1.00 0.00 C ATOM 61 CG LEU A 358 15.873 -5.835 -12.699 1.00 0.00 C ATOM 62 CD1 LEU A 358 15.719 -4.649 -13.639 1.00 0.00 C ATOM 63 CD2 LEU A 358 17.102 -6.652 -13.069 1.00 0.00 C ATOM 0 H LEU A 358 14.197 -7.057 -10.929 1.00 0.00 H new ATOM 0 HA LEU A 358 16.962 -7.073 -10.427 1.00 0.00 H new ATOM 0 HB2 LEU A 358 15.071 -4.767 -11.021 1.00 0.00 H new ATOM 0 HB3 LEU A 358 16.817 -4.696 -11.146 1.00 0.00 H new ATOM 0 HG LEU A 358 14.995 -6.473 -12.800 1.00 0.00 H new ATOM 0 HD11 LEU A 358 15.660 -5.005 -14.667 1.00 0.00 H new ATOM 0 HD12 LEU A 358 14.808 -4.104 -13.391 1.00 0.00 H new ATOM 0 HD13 LEU A 358 16.578 -3.987 -13.533 1.00 0.00 H new ATOM 0 HD21 LEU A 358 17.022 -6.981 -14.105 1.00 0.00 H new ATOM 0 HD22 LEU A 358 17.996 -6.039 -12.951 1.00 0.00 H new ATOM 0 HD23 LEU A 358 17.170 -7.522 -12.417 1.00 0.00 H new ATOM 75 N GLU A 359 15.144 -5.360 -8.277 1.00 0.00 N ATOM 76 CA GLU A 359 15.152 -4.755 -6.948 1.00 0.00 C ATOM 77 C GLU A 359 13.739 -4.302 -6.557 1.00 0.00 C ATOM 78 O GLU A 359 12.781 -5.061 -6.700 1.00 0.00 O ATOM 79 CB GLU A 359 16.132 -3.574 -6.914 1.00 0.00 C ATOM 80 CG GLU A 359 16.512 -3.132 -5.508 1.00 0.00 C ATOM 81 CD GLU A 359 17.480 -1.966 -5.508 1.00 0.00 C ATOM 82 OE1 GLU A 359 17.128 -0.902 -6.060 1.00 0.00 O ATOM 83 OE2 GLU A 359 18.590 -2.116 -4.956 1.00 0.00 O ATOM 0 H GLU A 359 14.235 -5.346 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 359 15.482 -5.499 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 359 17.037 -3.849 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 359 15.688 -2.730 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 359 15.611 -2.852 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 359 16.959 -3.971 -4.975 1.00 0.00 H new ATOM 90 N VAL A 360 13.612 -3.068 -6.067 1.00 0.00 N ATOM 91 CA VAL A 360 12.317 -2.533 -5.662 1.00 0.00 C ATOM 92 C VAL A 360 11.395 -2.349 -6.863 1.00 0.00 C ATOM 93 O VAL A 360 11.831 -1.928 -7.934 1.00 0.00 O ATOM 94 CB VAL A 360 12.471 -1.184 -4.931 1.00 0.00 C ATOM 95 CG1 VAL A 360 13.152 -0.160 -5.827 1.00 0.00 C ATOM 96 CG2 VAL A 360 11.118 -0.674 -4.461 1.00 0.00 C ATOM 0 H VAL A 360 14.392 -2.422 -5.942 1.00 0.00 H new ATOM 0 HA VAL A 360 11.875 -3.259 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 360 13.101 -1.339 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 360 13.250 0.784 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 360 14.141 -0.523 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 360 12.553 -0.007 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 360 11.247 0.279 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 360 10.462 -0.537 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 360 10.674 -1.398 -3.777 1.00 0.00 H new ATOM 106 N LEU A 361 10.117 -2.667 -6.678 1.00 0.00 N ATOM 107 CA LEU A 361 9.135 -2.533 -7.748 1.00 0.00 C ATOM 108 C LEU A 361 8.953 -1.070 -8.137 1.00 0.00 C ATOM 109 O LEU A 361 8.511 -0.252 -7.330 1.00 0.00 O ATOM 110 CB LEU A 361 7.787 -3.127 -7.322 1.00 0.00 C ATOM 111 CG LEU A 361 7.757 -4.650 -7.145 1.00 0.00 C ATOM 112 CD1 LEU A 361 8.632 -5.079 -5.976 1.00 0.00 C ATOM 113 CD2 LEU A 361 6.328 -5.131 -6.946 1.00 0.00 C ATOM 0 H LEU A 361 9.738 -3.019 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 361 9.507 -3.082 -8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.488 -2.665 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.038 -2.851 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 361 8.156 -5.107 -8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 361 8.594 -6.163 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.661 -4.768 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 361 8.269 -4.613 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 361 6.323 -6.214 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 361 5.907 -4.662 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.729 -4.863 -7.816 1.00 0.00 H new ATOM 125 N THR A 362 9.292 -0.749 -9.381 1.00 0.00 N ATOM 126 CA THR A 362 9.160 0.613 -9.885 1.00 0.00 C ATOM 127 C THR A 362 7.788 0.830 -10.510 1.00 0.00 C ATOM 128 O THR A 362 7.120 1.828 -10.238 1.00 0.00 O ATOM 129 CB THR A 362 10.246 0.934 -10.930 1.00 0.00 C ATOM 130 OG1 THR A 362 10.134 0.040 -12.045 1.00 0.00 O ATOM 131 CG2 THR A 362 11.634 0.818 -10.320 1.00 0.00 C ATOM 0 H THR A 362 9.661 -1.415 -10.060 1.00 0.00 H new ATOM 0 HA THR A 362 9.281 1.282 -9.033 1.00 0.00 H new ATOM 0 HB THR A 362 10.099 1.959 -11.270 1.00 0.00 H new ATOM 0 HG1 THR A 362 10.827 0.252 -12.705 1.00 0.00 H new ATOM 0 HG21 THR A 362 12.384 1.049 -11.076 1.00 0.00 H new ATOM 0 HG22 THR A 362 11.727 1.519 -9.491 1.00 0.00 H new ATOM 0 HG23 THR A 362 11.787 -0.198 -9.955 1.00 0.00 H new ATOM 139 N GLN A 363 7.376 -0.116 -11.350 1.00 0.00 N ATOM 140 CA GLN A 363 6.085 -0.041 -12.024 1.00 0.00 C ATOM 141 C GLN A 363 5.832 -1.316 -12.830 1.00 0.00 C ATOM 142 O GLN A 363 5.637 -1.272 -14.045 1.00 0.00 O ATOM 143 CB GLN A 363 6.030 1.186 -12.941 1.00 0.00 C ATOM 144 CG GLN A 363 4.661 1.433 -13.554 1.00 0.00 C ATOM 145 CD GLN A 363 4.632 2.667 -14.436 1.00 0.00 C ATOM 146 OE1 GLN A 363 5.362 2.757 -15.422 1.00 0.00 O ATOM 147 NE2 GLN A 363 3.784 3.627 -14.083 1.00 0.00 N ATOM 0 H GLN A 363 7.921 -0.947 -11.580 1.00 0.00 H new ATOM 0 HA GLN A 363 5.305 0.055 -11.268 1.00 0.00 H new ATOM 0 HB2 GLN A 363 6.327 2.067 -12.372 1.00 0.00 H new ATOM 0 HB3 GLN A 363 6.759 1.063 -13.742 1.00 0.00 H new ATOM 0 HG2 GLN A 363 4.368 0.563 -14.142 1.00 0.00 H new ATOM 0 HG3 GLN A 363 3.925 1.542 -12.758 1.00 0.00 H new ATOM 0 HE21 GLN A 363 3.197 3.510 -13.257 1.00 0.00 H new ATOM 0 HE22 GLN A 363 3.720 4.480 -14.638 1.00 0.00 H new ATOM 156 N LYS A 364 5.849 -2.452 -12.141 1.00 0.00 N ATOM 157 CA LYS A 364 5.633 -3.743 -12.785 1.00 0.00 C ATOM 158 C LYS A 364 4.679 -4.602 -11.963 1.00 0.00 C ATOM 159 O LYS A 364 4.745 -4.608 -10.733 1.00 0.00 O ATOM 160 CB LYS A 364 6.965 -4.474 -12.967 1.00 0.00 C ATOM 161 CG LYS A 364 7.979 -3.697 -13.790 1.00 0.00 C ATOM 162 CD LYS A 364 9.291 -4.454 -13.914 1.00 0.00 C ATOM 163 CE LYS A 364 10.304 -3.678 -14.740 1.00 0.00 C ATOM 164 NZ LYS A 364 9.815 -3.427 -16.124 1.00 0.00 N ATOM 0 H LYS A 364 6.010 -2.505 -11.135 1.00 0.00 H new ATOM 0 HA LYS A 364 5.187 -3.566 -13.764 1.00 0.00 H new ATOM 0 HB2 LYS A 364 7.391 -4.685 -11.986 1.00 0.00 H new ATOM 0 HB3 LYS A 364 6.780 -5.435 -13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 364 7.573 -3.505 -14.783 1.00 0.00 H new ATOM 0 HG3 LYS A 364 8.159 -2.727 -13.326 1.00 0.00 H new ATOM 0 HD2 LYS A 364 9.698 -4.644 -12.921 1.00 0.00 H new ATOM 0 HD3 LYS A 364 9.110 -5.425 -14.376 1.00 0.00 H new ATOM 0 HE2 LYS A 364 10.518 -2.727 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 364 11.241 -4.233 -14.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 10.607 -3.114 -16.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 9.413 -4.303 -16.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 9.083 -2.689 -16.105 1.00 0.00 H new ATOM 178 N HIS A 365 3.791 -5.319 -12.657 1.00 0.00 N ATOM 179 CA HIS A 365 2.804 -6.188 -12.013 1.00 0.00 C ATOM 180 C HIS A 365 1.679 -5.369 -11.377 1.00 0.00 C ATOM 181 O HIS A 365 0.517 -5.772 -11.411 1.00 0.00 O ATOM 182 CB HIS A 365 3.466 -7.086 -10.962 1.00 0.00 C ATOM 183 CG HIS A 365 2.522 -8.049 -10.308 1.00 0.00 C ATOM 184 ND1 HIS A 365 1.435 -7.648 -9.558 1.00 0.00 N ATOM 185 CD2 HIS A 365 2.506 -9.403 -10.296 1.00 0.00 C ATOM 186 CE1 HIS A 365 0.793 -8.713 -9.113 1.00 0.00 C ATOM 187 NE2 HIS A 365 1.422 -9.789 -9.547 1.00 0.00 N ATOM 0 H HIS A 365 3.736 -5.313 -13.676 1.00 0.00 H new ATOM 0 HA HIS A 365 2.371 -6.822 -12.786 1.00 0.00 H new ATOM 0 HB2 HIS A 365 4.273 -7.647 -11.433 1.00 0.00 H new ATOM 0 HB3 HIS A 365 3.919 -6.458 -10.195 1.00 0.00 H new ATOM 0 HD2 HIS A 365 3.213 -10.057 -10.784 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -0.095 -8.705 -8.499 1.00 0.00 H new ATOM 0 HE2 HIS A 365 1.147 -10.753 -9.357 1.00 0.00 H new ATOM 196 N LYS A 366 2.029 -4.222 -10.802 1.00 0.00 N ATOM 197 CA LYS A 366 1.045 -3.356 -10.165 1.00 0.00 C ATOM 198 C LYS A 366 1.654 -1.994 -9.834 1.00 0.00 C ATOM 199 O LYS A 366 2.799 -1.909 -9.387 1.00 0.00 O ATOM 200 CB LYS A 366 0.485 -4.023 -8.903 1.00 0.00 C ATOM 201 CG LYS A 366 1.548 -4.434 -7.891 1.00 0.00 C ATOM 202 CD LYS A 366 1.935 -3.286 -6.967 1.00 0.00 C ATOM 203 CE LYS A 366 0.779 -2.879 -6.068 1.00 0.00 C ATOM 204 NZ LYS A 366 0.335 -3.998 -5.193 1.00 0.00 N ATOM 0 H LYS A 366 2.986 -3.872 -10.765 1.00 0.00 H new ATOM 0 HA LYS A 366 0.224 -3.196 -10.864 1.00 0.00 H new ATOM 0 HB2 LYS A 366 -0.213 -3.338 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 366 -0.085 -4.906 -9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 366 1.178 -5.269 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 366 2.433 -4.788 -8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 366 2.787 -3.582 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 366 2.253 -2.430 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 366 1.080 -2.033 -5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 366 -0.057 -2.544 -6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 -0.663 -4.217 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 0.918 -4.839 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 0.439 -3.721 -4.196 1.00 0.00 H new ATOM 218 N PRO A 367 0.899 -0.903 -10.059 1.00 0.00 N ATOM 219 CA PRO A 367 1.380 0.452 -9.784 1.00 0.00 C ATOM 220 C PRO A 367 1.516 0.717 -8.289 1.00 0.00 C ATOM 221 O PRO A 367 0.532 0.668 -7.550 1.00 0.00 O ATOM 222 CB PRO A 367 0.299 1.348 -10.390 1.00 0.00 C ATOM 223 CG PRO A 367 -0.930 0.514 -10.397 1.00 0.00 C ATOM 224 CD PRO A 367 -0.472 -0.904 -10.600 1.00 0.00 C ATOM 0 HA PRO A 367 2.372 0.626 -10.200 1.00 0.00 H new ATOM 0 HB2 PRO A 367 0.159 2.253 -9.799 1.00 0.00 H new ATOM 0 HB3 PRO A 367 0.567 1.664 -11.398 1.00 0.00 H new ATOM 0 HG2 PRO A 367 -1.476 0.617 -9.459 1.00 0.00 H new ATOM 0 HG3 PRO A 367 -1.606 0.823 -11.194 1.00 0.00 H new ATOM 0 HD2 PRO A 367 -1.111 -1.612 -10.072 1.00 0.00 H new ATOM 0 HD3 PRO A 367 -0.488 -1.184 -11.653 1.00 0.00 H new ATOM 232 N ALA A 368 2.741 1.003 -7.855 1.00 0.00 N ATOM 233 CA ALA A 368 3.017 1.282 -6.449 1.00 0.00 C ATOM 234 C ALA A 368 4.492 1.599 -6.238 1.00 0.00 C ATOM 235 O ALA A 368 5.366 0.842 -6.662 1.00 0.00 O ATOM 236 CB ALA A 368 2.607 0.100 -5.579 1.00 0.00 C ATOM 0 H ALA A 368 3.561 1.048 -8.460 1.00 0.00 H new ATOM 0 HA ALA A 368 2.431 2.154 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 368 2.820 0.326 -4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 368 1.540 -0.088 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 368 3.167 -0.785 -5.880 1.00 0.00 H new ATOM 242 N GLU A 369 4.763 2.719 -5.578 1.00 0.00 N ATOM 243 CA GLU A 369 6.134 3.134 -5.307 1.00 0.00 C ATOM 244 C GLU A 369 6.664 2.463 -4.045 1.00 0.00 C ATOM 245 O GLU A 369 6.070 2.586 -2.972 1.00 0.00 O ATOM 246 CB GLU A 369 6.207 4.655 -5.152 1.00 0.00 C ATOM 247 CG GLU A 369 5.735 5.416 -6.380 1.00 0.00 C ATOM 248 CD GLU A 369 5.794 6.921 -6.194 1.00 0.00 C ATOM 249 OE1 GLU A 369 6.192 7.370 -5.099 1.00 0.00 O ATOM 250 OE2 GLU A 369 5.440 7.650 -7.144 1.00 0.00 O ATOM 0 H GLU A 369 4.051 3.356 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 369 6.753 2.829 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 369 5.603 4.954 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 369 7.236 4.940 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 369 6.350 5.135 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 369 4.711 5.123 -6.613 1.00 0.00 H new ATOM 257 N SER A 370 7.790 1.763 -4.178 1.00 0.00 N ATOM 258 CA SER A 370 8.412 1.078 -3.045 1.00 0.00 C ATOM 259 C SER A 370 7.489 0.013 -2.456 1.00 0.00 C ATOM 260 O SER A 370 6.270 0.064 -2.626 1.00 0.00 O ATOM 261 CB SER A 370 8.806 2.086 -1.963 1.00 0.00 C ATOM 262 OG SER A 370 9.724 3.041 -2.465 1.00 0.00 O ATOM 0 H SER A 370 8.291 1.655 -5.060 1.00 0.00 H new ATOM 0 HA SER A 370 9.308 0.579 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 370 7.915 2.593 -1.593 1.00 0.00 H new ATOM 0 HB3 SER A 370 9.249 1.561 -1.117 1.00 0.00 H new ATOM 0 HG SER A 370 9.958 3.674 -1.755 1.00 0.00 H new ATOM 268 N GLN A 371 8.084 -0.954 -1.762 1.00 0.00 N ATOM 269 CA GLN A 371 7.324 -2.036 -1.140 1.00 0.00 C ATOM 270 C GLN A 371 6.208 -1.476 -0.264 1.00 0.00 C ATOM 271 O GLN A 371 5.091 -1.993 -0.257 1.00 0.00 O ATOM 272 CB GLN A 371 8.252 -2.922 -0.304 1.00 0.00 C ATOM 273 CG GLN A 371 7.537 -4.065 0.399 1.00 0.00 C ATOM 274 CD GLN A 371 8.473 -4.900 1.252 1.00 0.00 C ATOM 275 OE1 GLN A 371 9.103 -4.392 2.181 1.00 0.00 O ATOM 276 NE2 GLN A 371 8.569 -6.187 0.941 1.00 0.00 N ATOM 0 H GLN A 371 9.092 -1.011 -1.616 1.00 0.00 H new ATOM 0 HA GLN A 371 6.875 -2.638 -1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 371 9.027 -3.333 -0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 371 8.753 -2.305 0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 371 6.743 -3.661 1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 371 7.062 -4.704 -0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 371 8.029 -6.565 0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 371 9.183 -6.797 1.480 1.00 0.00 H new ATOM 285 N GLN A 372 6.521 -0.413 0.472 1.00 0.00 N ATOM 286 CA GLN A 372 5.549 0.225 1.353 1.00 0.00 C ATOM 287 C GLN A 372 4.340 0.717 0.562 1.00 0.00 C ATOM 288 O GLN A 372 4.483 1.276 -0.525 1.00 0.00 O ATOM 289 CB GLN A 372 6.196 1.395 2.098 1.00 0.00 C ATOM 290 CG GLN A 372 7.390 0.986 2.947 1.00 0.00 C ATOM 291 CD GLN A 372 8.031 2.153 3.683 1.00 0.00 C ATOM 292 OE1 GLN A 372 7.492 3.355 3.494 1.00 0.00 O flip ATOM 293 NE2 GLN A 372 9.002 1.975 4.417 1.00 0.00 N flip ATOM 0 H GLN A 372 7.442 0.025 0.475 1.00 0.00 H new ATOM 0 HA GLN A 372 5.210 -0.516 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.515 2.145 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 372 5.449 1.866 2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 372 7.072 0.238 3.673 1.00 0.00 H new ATOM 0 HG3 GLN A 372 8.137 0.514 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 372 9.386 1.038 4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 372 9.423 2.765 4.907 1.00 0.00 H new ATOM 302 N GLN A 373 3.150 0.502 1.117 1.00 0.00 N ATOM 303 CA GLN A 373 1.911 0.919 0.467 1.00 0.00 C ATOM 304 C GLN A 373 1.902 2.417 0.195 1.00 0.00 C ATOM 305 O GLN A 373 2.498 3.201 0.933 1.00 0.00 O ATOM 306 CB GLN A 373 0.702 0.535 1.318 1.00 0.00 C ATOM 307 CG GLN A 373 0.410 -0.953 1.307 1.00 0.00 C ATOM 308 CD GLN A 373 -0.781 -1.321 2.169 1.00 0.00 C ATOM 309 OE1 GLN A 373 -1.895 -0.847 1.944 1.00 0.00 O ATOM 310 NE2 GLN A 373 -0.553 -2.171 3.164 1.00 0.00 N ATOM 0 H GLN A 373 3.018 0.041 2.017 1.00 0.00 H new ATOM 0 HA GLN A 373 1.851 0.400 -0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 373 0.872 0.857 2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -0.174 1.073 0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 373 0.225 -1.275 0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 373 1.289 -1.494 1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.386 -2.540 3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -1.317 -2.455 3.777 1.00 0.00 H new ATOM 319 N ALA A 374 1.219 2.804 -0.877 1.00 0.00 N ATOM 320 CA ALA A 374 1.124 4.205 -1.263 1.00 0.00 C ATOM 321 C ALA A 374 -0.330 4.633 -1.402 1.00 0.00 C ATOM 322 O ALA A 374 -1.160 3.881 -1.914 1.00 0.00 O ATOM 323 CB ALA A 374 1.874 4.446 -2.565 1.00 0.00 C ATOM 0 H ALA A 374 0.722 2.163 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 374 1.581 4.807 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.794 5.497 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.924 4.184 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.442 3.830 -3.353 1.00 0.00 H new ATOM 329 N ALA A 375 -0.633 5.841 -0.940 1.00 0.00 N ATOM 330 CA ALA A 375 -1.990 6.364 -1.012 1.00 0.00 C ATOM 331 C ALA A 375 -2.507 6.353 -2.446 1.00 0.00 C ATOM 332 O ALA A 375 -2.172 7.227 -3.246 1.00 0.00 O ATOM 333 CB ALA A 375 -2.042 7.773 -0.442 1.00 0.00 C ATOM 0 H ALA A 375 0.042 6.475 -0.513 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.635 5.718 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.062 8.152 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.722 7.756 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.379 8.422 -1.015 1.00 0.00 H new ATOM 339 N GLU A 376 -3.328 5.356 -2.760 1.00 0.00 N ATOM 340 CA GLU A 376 -3.903 5.218 -4.092 1.00 0.00 C ATOM 341 C GLU A 376 -4.873 6.364 -4.377 1.00 0.00 C ATOM 342 O GLU A 376 -4.706 7.472 -3.867 1.00 0.00 O ATOM 343 CB GLU A 376 -4.613 3.863 -4.211 1.00 0.00 C ATOM 344 CG GLU A 376 -3.724 2.677 -3.871 1.00 0.00 C ATOM 345 CD GLU A 376 -2.583 2.493 -4.857 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.512 3.261 -5.840 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.764 1.574 -4.649 1.00 0.00 O ATOM 0 H GLU A 376 -3.611 4.627 -2.105 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.103 5.262 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.480 3.857 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.987 3.746 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.314 2.811 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.329 1.770 -3.849 1.00 0.00 H new ATOM 354 N THR A 377 -5.884 6.096 -5.195 1.00 0.00 N ATOM 355 CA THR A 377 -6.871 7.107 -5.551 1.00 0.00 C ATOM 356 C THR A 377 -8.245 6.478 -5.720 1.00 0.00 C ATOM 357 O THR A 377 -8.358 5.273 -5.933 1.00 0.00 O ATOM 358 CB THR A 377 -6.483 7.837 -6.850 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.474 6.915 -7.946 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.110 8.482 -6.715 1.00 0.00 C ATOM 0 H THR A 377 -6.042 5.185 -5.625 1.00 0.00 H new ATOM 0 HA THR A 377 -6.900 7.832 -4.738 1.00 0.00 H new ATOM 0 HB THR A 377 -7.220 8.618 -7.038 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.228 7.387 -8.769 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.855 8.992 -7.644 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.125 9.203 -5.897 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.366 7.713 -6.507 1.00 0.00 H new ATOM 368 N GLU A 378 -9.286 7.298 -5.602 1.00 0.00 N ATOM 369 CA GLU A 378 -10.658 6.815 -5.723 1.00 0.00 C ATOM 370 C GLU A 378 -10.814 5.904 -6.933 1.00 0.00 C ATOM 371 O GLU A 378 -11.454 4.856 -6.855 1.00 0.00 O ATOM 372 CB GLU A 378 -11.630 7.991 -5.833 1.00 0.00 C ATOM 373 CG GLU A 378 -13.091 7.572 -5.841 1.00 0.00 C ATOM 374 CD GLU A 378 -14.032 8.743 -6.044 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.926 9.417 -7.090 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.877 8.985 -5.156 1.00 0.00 O ATOM 0 H GLU A 378 -9.206 8.299 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.889 6.241 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.460 8.672 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.414 8.546 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.251 6.840 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.329 7.079 -4.899 1.00 0.00 H new ATOM 383 N GLY A 379 -10.226 6.311 -8.048 1.00 0.00 N ATOM 384 CA GLY A 379 -10.313 5.523 -9.260 1.00 0.00 C ATOM 385 C GLY A 379 -9.632 4.176 -9.140 1.00 0.00 C ATOM 386 O GLY A 379 -10.142 3.173 -9.638 1.00 0.00 O ATOM 0 H GLY A 379 -9.689 7.174 -8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.362 5.372 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.863 6.080 -10.082 1.00 0.00 H new ATOM 390 N SER A 380 -8.477 4.152 -8.488 1.00 0.00 N ATOM 391 CA SER A 380 -7.726 2.913 -8.318 1.00 0.00 C ATOM 392 C SER A 380 -8.423 1.956 -7.352 1.00 0.00 C ATOM 393 O SER A 380 -8.566 0.767 -7.637 1.00 0.00 O ATOM 394 CB SER A 380 -6.319 3.218 -7.823 1.00 0.00 C ATOM 395 OG SER A 380 -5.572 2.029 -7.637 1.00 0.00 O ATOM 0 H SER A 380 -8.040 4.973 -8.069 1.00 0.00 H new ATOM 0 HA SER A 380 -7.672 2.423 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.810 3.862 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.373 3.768 -6.883 1.00 0.00 H new ATOM 0 HG SER A 380 -4.672 2.254 -7.320 1.00 0.00 H new ATOM 401 N CYS A 381 -8.842 2.483 -6.206 1.00 0.00 N ATOM 402 CA CYS A 381 -9.508 1.681 -5.182 1.00 0.00 C ATOM 403 C CYS A 381 -10.735 0.960 -5.732 1.00 0.00 C ATOM 404 O CYS A 381 -10.914 -0.236 -5.501 1.00 0.00 O ATOM 405 CB CYS A 381 -9.917 2.566 -4.006 1.00 0.00 C ATOM 406 SG CYS A 381 -8.526 3.418 -3.197 1.00 0.00 S ATOM 0 H CYS A 381 -8.732 3.467 -5.961 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.798 0.925 -4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.631 3.311 -4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.433 1.954 -3.267 1.00 0.00 H new ATOM 411 N ASN A 382 -11.579 1.691 -6.454 1.00 0.00 N ATOM 412 CA ASN A 382 -12.789 1.113 -7.028 1.00 0.00 C ATOM 413 C ASN A 382 -12.451 -0.112 -7.863 1.00 0.00 C ATOM 414 O ASN A 382 -13.206 -1.084 -7.900 1.00 0.00 O ATOM 415 CB ASN A 382 -13.517 2.143 -7.896 1.00 0.00 C ATOM 416 CG ASN A 382 -13.912 3.395 -7.134 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.549 3.462 -5.857 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.534 4.300 -7.691 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.448 2.682 -6.655 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.443 0.814 -6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.876 2.422 -8.732 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.411 1.685 -8.319 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.794 4.210 -8.673 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.789 5.139 -7.170 1.00 0.00 H new ATOM 425 N LYS A 383 -11.311 -0.048 -8.536 1.00 0.00 N ATOM 426 CA LYS A 383 -10.857 -1.138 -9.385 1.00 0.00 C ATOM 427 C LYS A 383 -10.299 -2.289 -8.554 1.00 0.00 C ATOM 428 O LYS A 383 -10.362 -3.448 -8.966 1.00 0.00 O ATOM 429 CB LYS A 383 -9.790 -0.632 -10.356 1.00 0.00 C ATOM 430 CG LYS A 383 -10.232 0.577 -11.169 1.00 0.00 C ATOM 431 CD LYS A 383 -11.432 0.263 -12.051 1.00 0.00 C ATOM 432 CE LYS A 383 -11.097 -0.783 -13.104 1.00 0.00 C ATOM 433 NZ LYS A 383 -9.989 -0.337 -13.993 1.00 0.00 N ATOM 0 H LYS A 383 -10.680 0.753 -8.509 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.714 -1.509 -9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.892 -0.374 -9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.519 -1.438 -11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.482 1.396 -10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.404 0.918 -11.791 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.255 -0.094 -11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.773 1.175 -12.540 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.817 -1.715 -12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.983 -0.992 -13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -9.957 -0.943 -14.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.150 0.650 -14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -9.085 -0.406 -13.483 1.00 0.00 H new ATOM 447 N LYS A 384 -9.734 -1.964 -7.393 1.00 0.00 N ATOM 448 CA LYS A 384 -9.149 -2.969 -6.529 1.00 0.00 C ATOM 449 C LYS A 384 -10.181 -3.930 -5.983 1.00 0.00 C ATOM 450 O LYS A 384 -11.341 -3.581 -5.767 1.00 0.00 O ATOM 451 CB LYS A 384 -8.408 -2.308 -5.380 1.00 0.00 C ATOM 452 CG LYS A 384 -7.265 -1.458 -5.857 1.00 0.00 C ATOM 453 CD LYS A 384 -6.261 -2.273 -6.617 1.00 0.00 C ATOM 454 CE LYS A 384 -5.762 -1.485 -7.793 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.441 -0.848 -7.531 1.00 0.00 N ATOM 0 H LYS A 384 -9.672 -1.011 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.451 -3.545 -7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.102 -1.693 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.031 -3.075 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.644 -0.658 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.781 -0.984 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.429 -2.542 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.715 -3.204 -6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.680 -2.142 -8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.490 -0.714 -8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.553 0.186 -7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.072 -1.178 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.775 -1.106 -8.287 1.00 0.00 H new ATOM 469 N ASP A 385 -9.719 -5.138 -5.744 1.00 0.00 N ATOM 470 CA ASP A 385 -10.555 -6.195 -5.186 1.00 0.00 C ATOM 471 C ASP A 385 -10.443 -6.183 -3.668 1.00 0.00 C ATOM 472 O ASP A 385 -9.732 -5.353 -3.111 1.00 0.00 O ATOM 473 CB ASP A 385 -10.143 -7.561 -5.737 1.00 0.00 C ATOM 474 CG ASP A 385 -10.378 -7.680 -7.231 1.00 0.00 C ATOM 475 OD1 ASP A 385 -9.817 -6.862 -7.988 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.121 -8.596 -7.643 1.00 0.00 O ATOM 0 H ASP A 385 -8.757 -5.421 -5.928 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.591 -6.013 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.088 -7.732 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.703 -8.341 -5.221 1.00 0.00 H new ATOM 481 N GLN A 386 -11.139 -7.098 -3.001 1.00 0.00 N ATOM 482 CA GLN A 386 -11.097 -7.163 -1.542 1.00 0.00 C ATOM 483 C GLN A 386 -9.658 -7.116 -1.037 1.00 0.00 C ATOM 484 O GLN A 386 -9.302 -6.265 -0.222 1.00 0.00 O ATOM 485 CB GLN A 386 -11.783 -8.436 -1.040 1.00 0.00 C ATOM 486 CG GLN A 386 -11.806 -8.551 0.476 1.00 0.00 C ATOM 487 CD GLN A 386 -12.501 -9.809 0.959 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.666 -10.049 0.640 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.793 -10.614 1.742 1.00 0.00 N ATOM 0 H GLN A 386 -11.734 -7.800 -3.441 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.631 -6.296 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.806 -8.460 -1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.271 -9.304 -1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.783 -8.539 0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.310 -7.680 0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.830 -10.376 1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.212 -11.471 2.105 1.00 0.00 H new ATOM 498 N ASN A 387 -8.833 -8.029 -1.535 1.00 0.00 N ATOM 499 CA ASN A 387 -7.438 -8.096 -1.148 1.00 0.00 C ATOM 500 C ASN A 387 -6.674 -6.861 -1.618 1.00 0.00 C ATOM 501 O ASN A 387 -5.747 -6.400 -0.952 1.00 0.00 O ATOM 502 CB ASN A 387 -6.806 -9.354 -1.737 1.00 0.00 C ATOM 503 CG ASN A 387 -6.874 -9.381 -3.251 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.956 -9.350 -3.836 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.714 -9.441 -3.893 1.00 0.00 N ATOM 0 H ASN A 387 -9.114 -8.737 -2.213 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.384 -8.131 -0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.764 -9.416 -1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.312 -10.233 -1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.696 -9.463 -4.913 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.841 -9.465 -3.367 1.00 0.00 H new ATOM 512 N GLU A 388 -7.063 -6.338 -2.778 1.00 0.00 N ATOM 513 CA GLU A 388 -6.407 -5.166 -3.347 1.00 0.00 C ATOM 514 C GLU A 388 -6.878 -3.879 -2.683 1.00 0.00 C ATOM 515 O GLU A 388 -6.241 -2.837 -2.836 1.00 0.00 O ATOM 516 CB GLU A 388 -6.642 -5.104 -4.854 1.00 0.00 C ATOM 517 CG GLU A 388 -6.103 -6.311 -5.603 1.00 0.00 C ATOM 518 CD GLU A 388 -6.252 -6.178 -7.105 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.395 -5.995 -7.574 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.227 -6.257 -7.813 1.00 0.00 O ATOM 0 H GLU A 388 -7.829 -6.708 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.338 -5.262 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.712 -5.017 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.174 -4.202 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.050 -6.447 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.627 -7.206 -5.267 1.00 0.00 H new ATOM 527 N CYS A 389 -7.979 -3.949 -1.936 1.00 0.00 N ATOM 528 CA CYS A 389 -8.486 -2.769 -1.253 1.00 0.00 C ATOM 529 C CYS A 389 -7.393 -2.247 -0.332 1.00 0.00 C ATOM 530 O CYS A 389 -7.176 -2.775 0.760 1.00 0.00 O ATOM 531 CB CYS A 389 -9.757 -3.099 -0.464 1.00 0.00 C ATOM 532 SG CYS A 389 -10.734 -1.637 0.023 1.00 0.00 S ATOM 0 H CYS A 389 -8.527 -4.797 -1.792 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.752 -2.003 -1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.384 -3.757 -1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.481 -3.653 0.433 1.00 0.00 H new ATOM 537 N LYS A 390 -6.675 -1.240 -0.810 1.00 0.00 N ATOM 538 CA LYS A 390 -5.556 -0.670 -0.069 1.00 0.00 C ATOM 539 C LYS A 390 -6.008 0.093 1.170 1.00 0.00 C ATOM 540 O LYS A 390 -7.169 0.486 1.286 1.00 0.00 O ATOM 541 CB LYS A 390 -4.746 0.234 -0.989 1.00 0.00 C ATOM 542 CG LYS A 390 -4.172 -0.496 -2.196 1.00 0.00 C ATOM 543 CD LYS A 390 -3.036 -1.426 -1.800 1.00 0.00 C ATOM 544 CE LYS A 390 -2.471 -2.154 -3.008 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.358 -3.070 -2.638 1.00 0.00 N ATOM 0 H LYS A 390 -6.848 -0.798 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.933 -1.493 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.379 1.051 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.930 0.681 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.960 -1.070 -2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.811 0.231 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.246 -0.852 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.395 -2.152 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.264 -2.724 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.114 -1.425 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.347 -3.883 -3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.453 -2.562 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.495 -3.407 -1.663 1.00 0.00 H new ATOM 559 N SER A 391 -5.071 0.280 2.098 1.00 0.00 N ATOM 560 CA SER A 391 -5.343 0.980 3.353 1.00 0.00 C ATOM 561 C SER A 391 -6.041 2.316 3.105 1.00 0.00 C ATOM 562 O SER A 391 -7.094 2.578 3.687 1.00 0.00 O ATOM 563 CB SER A 391 -4.046 1.197 4.135 1.00 0.00 C ATOM 564 OG SER A 391 -4.291 1.874 5.356 1.00 0.00 O ATOM 0 H SER A 391 -4.109 -0.046 2.003 1.00 0.00 H new ATOM 0 HA SER A 391 -6.013 0.356 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.575 0.235 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.346 1.774 3.530 1.00 0.00 H new ATOM 0 HG SER A 391 -3.446 1.998 5.836 1.00 0.00 H new ATOM 570 N PRO A 392 -5.485 3.183 2.230 1.00 0.00 N ATOM 571 CA PRO A 392 -6.092 4.474 1.917 1.00 0.00 C ATOM 572 C PRO A 392 -7.556 4.307 1.543 1.00 0.00 C ATOM 573 O PRO A 392 -8.398 5.143 1.871 1.00 0.00 O ATOM 574 CB PRO A 392 -5.280 4.973 0.711 1.00 0.00 C ATOM 575 CG PRO A 392 -4.508 3.792 0.237 1.00 0.00 C ATOM 576 CD PRO A 392 -4.246 2.990 1.464 1.00 0.00 C ATOM 0 HA PRO A 392 -6.072 5.165 2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.935 5.354 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.615 5.788 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.074 3.218 -0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.578 4.095 -0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.069 1.939 1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.372 3.349 2.006 1.00 0.00 H new ATOM 584 N CYS A 393 -7.843 3.207 0.858 1.00 0.00 N ATOM 585 CA CYS A 393 -9.199 2.893 0.433 1.00 0.00 C ATOM 586 C CYS A 393 -10.010 2.340 1.598 1.00 0.00 C ATOM 587 O CYS A 393 -9.502 1.558 2.403 1.00 0.00 O ATOM 588 CB CYS A 393 -9.181 1.856 -0.686 1.00 0.00 C ATOM 589 SG CYS A 393 -7.820 2.050 -1.882 1.00 0.00 S ATOM 0 H CYS A 393 -7.148 2.513 0.584 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.657 3.814 0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -9.117 0.863 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.128 1.904 -1.223 1.00 0.00 H new ATOM 594 N LYS A 394 -11.275 2.723 1.666 1.00 0.00 N ATOM 595 CA LYS A 394 -12.163 2.240 2.714 1.00 0.00 C ATOM 596 C LYS A 394 -12.937 1.032 2.207 1.00 0.00 C ATOM 597 O LYS A 394 -13.642 1.112 1.201 1.00 0.00 O ATOM 598 CB LYS A 394 -13.126 3.340 3.166 1.00 0.00 C ATOM 599 CG LYS A 394 -13.980 2.946 4.361 1.00 0.00 C ATOM 600 CD LYS A 394 -14.866 4.091 4.823 1.00 0.00 C ATOM 601 CE LYS A 394 -15.905 4.446 3.776 1.00 0.00 C ATOM 602 NZ LYS A 394 -16.861 3.330 3.541 1.00 0.00 N ATOM 0 H LYS A 394 -11.711 3.368 1.007 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.562 1.948 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.553 4.232 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.779 3.604 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.601 2.089 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.335 2.632 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.364 3.815 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.251 4.965 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -16.453 5.332 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.406 4.699 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -17.726 3.701 3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.425 2.626 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -17.101 2.881 4.448 1.00 0.00 H new ATOM 616 N TRP A 395 -12.784 -0.092 2.894 1.00 0.00 N ATOM 617 CA TRP A 395 -13.451 -1.322 2.495 1.00 0.00 C ATOM 618 C TRP A 395 -14.942 -1.293 2.817 1.00 0.00 C ATOM 619 O TRP A 395 -15.335 -1.255 3.983 1.00 0.00 O ATOM 620 CB TRP A 395 -12.796 -2.522 3.184 1.00 0.00 C ATOM 621 CG TRP A 395 -13.408 -3.837 2.807 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.901 -4.782 3.661 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.587 -4.357 1.484 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.382 -5.854 2.950 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.200 -5.619 1.613 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.293 -3.881 0.202 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.523 -6.406 0.510 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.613 -4.664 -0.890 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.223 -5.913 -0.731 1.00 0.00 C ATOM 0 H TRP A 395 -12.204 -0.177 3.729 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.346 -1.415 1.414 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.735 -2.539 2.934 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.867 -2.394 4.264 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.911 -4.698 4.738 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.806 -6.690 3.352 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.824 -2.918 0.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.993 -7.371 0.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.388 -4.306 -1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.462 -6.500 -1.605 1.00 0.00 H new ATOM 640 N HIS A 396 -15.767 -1.340 1.774 1.00 0.00 N ATOM 641 CA HIS A 396 -17.216 -1.351 1.943 1.00 0.00 C ATOM 642 C HIS A 396 -17.691 -2.761 2.271 1.00 0.00 C ATOM 643 O HIS A 396 -17.850 -3.599 1.375 1.00 0.00 O ATOM 644 CB HIS A 396 -17.921 -0.853 0.681 1.00 0.00 C ATOM 645 CG HIS A 396 -17.685 0.594 0.380 1.00 0.00 C ATOM 646 ND1 HIS A 396 -18.050 1.611 1.236 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.134 1.194 -0.700 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.736 2.773 0.692 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.178 2.548 -0.483 1.00 0.00 N ATOM 0 H HIS A 396 -15.456 -1.371 0.803 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.466 -0.680 2.765 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.587 -1.449 -0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.993 -1.021 0.786 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.493 1.486 2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.733 0.699 -1.572 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.907 3.743 1.134 1.00 0.00 H new ATOM 658 N ASN A 397 -17.906 -3.009 3.561 1.00 0.00 N ATOM 659 CA ASN A 397 -18.355 -4.310 4.040 1.00 0.00 C ATOM 660 C ASN A 397 -19.867 -4.456 3.893 1.00 0.00 C ATOM 661 O ASN A 397 -20.607 -3.476 3.975 1.00 0.00 O ATOM 662 CB ASN A 397 -17.944 -4.503 5.503 1.00 0.00 C ATOM 663 CG ASN A 397 -18.305 -5.876 6.036 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.480 -6.229 6.137 1.00 0.00 O ATOM 665 ND2 ASN A 397 -17.290 -6.660 6.382 1.00 0.00 N ATOM 0 H ASN A 397 -17.774 -2.317 4.298 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.880 -5.080 3.432 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -16.869 -4.353 5.597 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.427 -3.742 6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.470 -7.595 6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -16.331 -6.327 6.282 1.00 0.00 H new ATOM 672 N ASP A 398 -20.313 -5.691 3.676 1.00 0.00 N ATOM 673 CA ASP A 398 -21.734 -5.988 3.515 1.00 0.00 C ATOM 674 C ASP A 398 -22.301 -5.277 2.288 1.00 0.00 C ATOM 675 O ASP A 398 -23.482 -4.933 2.241 1.00 0.00 O ATOM 676 CB ASP A 398 -22.510 -5.584 4.772 1.00 0.00 C ATOM 677 CG ASP A 398 -23.962 -6.018 4.725 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.213 -7.237 4.617 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.846 -5.139 4.792 1.00 0.00 O ATOM 0 H ASP A 398 -19.706 -6.508 3.607 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.843 -7.062 3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.031 -6.024 5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.462 -4.502 4.892 1.00 0.00 H new ATOM 684 N ALA A 399 -21.451 -5.078 1.287 1.00 0.00 N ATOM 685 CA ALA A 399 -21.862 -4.427 0.049 1.00 0.00 C ATOM 686 C ALA A 399 -22.668 -5.392 -0.813 1.00 0.00 C ATOM 687 O ALA A 399 -22.557 -6.608 -0.657 1.00 0.00 O ATOM 688 CB ALA A 399 -20.646 -3.916 -0.714 1.00 0.00 C ATOM 0 H ALA A 399 -20.471 -5.359 1.309 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.494 -3.574 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.971 -3.433 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.106 -3.197 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.990 -4.752 -0.955 1.00 0.00 H new ATOM 694 N GLU A 400 -23.472 -4.849 -1.725 1.00 0.00 N ATOM 695 CA GLU A 400 -24.285 -5.674 -2.614 1.00 0.00 C ATOM 696 C GLU A 400 -23.425 -6.751 -3.265 1.00 0.00 C ATOM 697 O GLU A 400 -23.919 -7.806 -3.663 1.00 0.00 O ATOM 698 CB GLU A 400 -24.948 -4.813 -3.690 1.00 0.00 C ATOM 699 CG GLU A 400 -25.861 -3.735 -3.129 1.00 0.00 C ATOM 700 CD GLU A 400 -26.508 -2.892 -4.212 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.241 -3.150 -5.406 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.280 -1.973 -3.867 1.00 0.00 O ATOM 0 H GLU A 400 -23.577 -3.844 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.065 -6.152 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.173 -4.342 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.525 -5.457 -4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.639 -4.202 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.287 -3.088 -2.465 1.00 0.00 H new ATOM 709 N ASN A 401 -22.130 -6.469 -3.360 1.00 0.00 N ATOM 710 CA ASN A 401 -21.176 -7.397 -3.951 1.00 0.00 C ATOM 711 C ASN A 401 -19.747 -6.972 -3.626 1.00 0.00 C ATOM 712 O ASN A 401 -18.864 -7.020 -4.482 1.00 0.00 O ATOM 713 CB ASN A 401 -21.378 -7.469 -5.467 1.00 0.00 C ATOM 714 CG ASN A 401 -21.186 -6.129 -6.167 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.925 -5.074 -5.399 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.278 -6.045 -7.391 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.715 -5.597 -3.032 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.346 -8.387 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.679 -8.193 -5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.382 -7.839 -5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.479 -6.877 -7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.153 -5.143 -7.851 1.00 0.00 H new ATOM 723 N LYS A 402 -19.537 -6.549 -2.376 1.00 0.00 N ATOM 724 CA LYS A 402 -18.224 -6.096 -1.914 1.00 0.00 C ATOM 725 C LYS A 402 -17.778 -4.860 -2.686 1.00 0.00 C ATOM 726 O LYS A 402 -17.774 -4.853 -3.917 1.00 0.00 O ATOM 727 CB LYS A 402 -17.179 -7.210 -2.054 1.00 0.00 C ATOM 728 CG LYS A 402 -17.349 -8.350 -1.058 1.00 0.00 C ATOM 729 CD LYS A 402 -18.617 -9.151 -1.312 1.00 0.00 C ATOM 730 CE LYS A 402 -18.547 -9.907 -2.629 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.411 -10.872 -2.656 1.00 0.00 N ATOM 0 H LYS A 402 -20.265 -6.511 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.313 -5.836 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.228 -7.615 -3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.185 -6.779 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.485 -9.012 -1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.373 -7.945 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -18.773 -9.856 -0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.476 -8.480 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.482 -10.443 -2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.440 -9.198 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.557 -11.559 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -16.522 -10.357 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -17.360 -11.374 -1.747 1.00 0.00 H new ATOM 745 N LYS A 403 -17.411 -3.803 -1.962 1.00 0.00 N ATOM 746 CA LYS A 403 -16.983 -2.567 -2.610 1.00 0.00 C ATOM 747 C LYS A 403 -15.771 -1.954 -1.916 1.00 0.00 C ATOM 748 O LYS A 403 -15.529 -2.197 -0.739 1.00 0.00 O ATOM 749 CB LYS A 403 -18.133 -1.563 -2.634 1.00 0.00 C ATOM 750 CG LYS A 403 -19.336 -2.034 -3.437 1.00 0.00 C ATOM 751 CD LYS A 403 -19.019 -2.131 -4.922 1.00 0.00 C ATOM 752 CE LYS A 403 -18.667 -0.773 -5.511 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.349 -0.860 -6.962 1.00 0.00 N ATOM 0 H LYS A 403 -17.401 -3.778 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.692 -2.813 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.447 -1.359 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.774 -0.622 -3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.660 -3.008 -3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.167 -1.344 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.188 -2.820 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.877 -2.546 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.501 -0.087 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -17.813 -0.357 -4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.115 0.087 -7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -17.537 -1.495 -7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.173 -1.233 -7.476 1.00 0.00 H new ATOM 767 N CYS A 404 -15.016 -1.153 -2.665 1.00 0.00 N ATOM 768 CA CYS A 404 -13.825 -0.486 -2.140 1.00 0.00 C ATOM 769 C CYS A 404 -13.666 0.883 -2.798 1.00 0.00 C ATOM 770 O CYS A 404 -13.681 0.993 -4.024 1.00 0.00 O ATOM 771 CB CYS A 404 -12.576 -1.339 -2.399 1.00 0.00 C ATOM 772 SG CYS A 404 -11.032 -0.637 -1.728 1.00 0.00 S ATOM 0 H CYS A 404 -15.210 -0.949 -3.645 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.941 -0.356 -1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.730 -2.327 -1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.461 -1.476 -3.474 1.00 0.00 H new ATOM 777 N THR A 405 -13.522 1.928 -1.983 1.00 0.00 N ATOM 778 CA THR A 405 -13.372 3.286 -2.507 1.00 0.00 C ATOM 779 C THR A 405 -12.397 4.104 -1.667 1.00 0.00 C ATOM 780 O THR A 405 -12.439 4.071 -0.440 1.00 0.00 O ATOM 781 CB THR A 405 -14.718 4.032 -2.558 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.236 4.199 -1.234 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.729 3.280 -3.412 1.00 0.00 C ATOM 0 H THR A 405 -13.506 1.862 -0.965 1.00 0.00 H new ATOM 0 HA THR A 405 -12.982 3.179 -3.519 1.00 0.00 H new ATOM 0 HB THR A 405 -14.546 5.010 -3.008 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.760 3.409 -0.986 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.670 3.830 -3.430 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.346 3.182 -4.428 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.896 2.289 -2.990 1.00 0.00 H new ATOM 791 N LEU A 406 -11.523 4.837 -2.348 1.00 0.00 N ATOM 792 CA LEU A 406 -10.523 5.670 -1.694 1.00 0.00 C ATOM 793 C LEU A 406 -11.164 6.666 -0.736 1.00 0.00 C ATOM 794 O LEU A 406 -12.245 7.195 -0.994 1.00 0.00 O ATOM 795 CB LEU A 406 -9.700 6.408 -2.752 1.00 0.00 C ATOM 796 CG LEU A 406 -8.433 7.113 -2.259 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.768 8.410 -1.546 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.632 6.194 -1.353 1.00 0.00 C ATOM 0 H LEU A 406 -11.488 4.870 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.870 5.023 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.415 5.693 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.341 7.150 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.824 7.359 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.848 8.887 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.292 9.077 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.405 8.199 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.735 6.711 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.238 5.913 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.347 5.298 -1.904 1.00 0.00 H new ATOM 810 N ASP A 407 -10.472 6.917 0.364 1.00 0.00 N ATOM 811 CA ASP A 407 -10.937 7.854 1.377 1.00 0.00 C ATOM 812 C ASP A 407 -9.905 8.958 1.576 1.00 0.00 C ATOM 813 O ASP A 407 -8.711 8.684 1.684 1.00 0.00 O ATOM 814 CB ASP A 407 -11.186 7.122 2.695 1.00 0.00 C ATOM 815 CG ASP A 407 -11.826 8.007 3.747 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.097 9.189 3.449 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.059 7.516 4.871 1.00 0.00 O ATOM 0 H ASP A 407 -9.576 6.480 0.580 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.873 8.301 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.829 6.261 2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.240 6.738 3.076 1.00 0.00 H new ATOM 822 N LYS A 408 -10.366 10.204 1.609 1.00 0.00 N ATOM 823 CA LYS A 408 -9.468 11.341 1.779 1.00 0.00 C ATOM 824 C LYS A 408 -8.771 11.306 3.136 1.00 0.00 C ATOM 825 O LYS A 408 -7.551 11.447 3.215 1.00 0.00 O ATOM 826 CB LYS A 408 -10.236 12.654 1.623 1.00 0.00 C ATOM 827 CG LYS A 408 -10.955 12.791 0.290 1.00 0.00 C ATOM 828 CD LYS A 408 -9.990 12.734 -0.886 1.00 0.00 C ATOM 829 CE LYS A 408 -9.002 13.891 -0.861 1.00 0.00 C ATOM 830 NZ LYS A 408 -8.057 13.839 -2.011 1.00 0.00 N ATOM 0 H LYS A 408 -11.352 10.452 1.521 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.704 11.276 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.966 12.735 2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.541 13.486 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.693 11.995 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.500 13.735 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.445 11.790 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.552 12.756 -1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -9.547 14.835 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -8.440 13.868 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -7.401 14.644 -1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -7.518 12.950 -1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -8.591 13.887 -2.902 1.00 0.00 H new ATOM 844 N GLU A 409 -9.548 11.124 4.201 1.00 0.00 N ATOM 845 CA GLU A 409 -8.996 11.080 5.554 1.00 0.00 C ATOM 846 C GLU A 409 -7.923 10.003 5.675 1.00 0.00 C ATOM 847 O GLU A 409 -6.814 10.266 6.147 1.00 0.00 O ATOM 848 CB GLU A 409 -10.107 10.828 6.580 1.00 0.00 C ATOM 849 CG GLU A 409 -11.004 12.032 6.842 1.00 0.00 C ATOM 850 CD GLU A 409 -11.762 12.499 5.613 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.121 13.025 4.680 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.000 12.336 5.585 1.00 0.00 O ATOM 0 H GLU A 409 -10.560 11.005 4.154 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.537 12.047 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.724 9.999 6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.653 10.516 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.718 11.780 7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -10.395 12.854 7.218 1.00 0.00 H new ATOM 859 N GLU A 410 -8.256 8.795 5.240 1.00 0.00 N ATOM 860 CA GLU A 410 -7.318 7.680 5.292 1.00 0.00 C ATOM 861 C GLU A 410 -6.093 7.978 4.436 1.00 0.00 C ATOM 862 O GLU A 410 -4.961 7.707 4.836 1.00 0.00 O ATOM 863 CB GLU A 410 -7.993 6.392 4.816 1.00 0.00 C ATOM 864 CG GLU A 410 -9.183 5.978 5.669 1.00 0.00 C ATOM 865 CD GLU A 410 -9.827 4.691 5.188 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.339 4.116 4.192 1.00 0.00 O ATOM 867 OE2 GLU A 410 -10.820 4.257 5.810 1.00 0.00 O ATOM 0 H GLU A 410 -9.168 8.562 4.847 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.999 7.545 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.323 6.524 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.259 5.586 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.859 5.853 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.925 6.776 5.662 1.00 0.00 H new ATOM 874 N ALA A 411 -6.333 8.547 3.259 1.00 0.00 N ATOM 875 CA ALA A 411 -5.258 8.897 2.339 1.00 0.00 C ATOM 876 C ALA A 411 -4.275 9.864 2.991 1.00 0.00 C ATOM 877 O ALA A 411 -3.064 9.763 2.794 1.00 0.00 O ATOM 878 CB ALA A 411 -5.834 9.510 1.071 1.00 0.00 C ATOM 0 H ALA A 411 -7.267 8.776 2.919 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.719 7.986 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.023 9.768 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.498 8.792 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.395 10.410 1.324 1.00 0.00 H new ATOM 884 N LYS A 412 -4.809 10.801 3.768 1.00 0.00 N ATOM 885 CA LYS A 412 -3.994 11.795 4.455 1.00 0.00 C ATOM 886 C LYS A 412 -3.025 11.138 5.433 1.00 0.00 C ATOM 887 O LYS A 412 -1.843 11.475 5.471 1.00 0.00 O ATOM 888 CB LYS A 412 -4.890 12.778 5.207 1.00 0.00 C ATOM 889 CG LYS A 412 -5.783 13.611 4.302 1.00 0.00 C ATOM 890 CD LYS A 412 -6.768 14.447 5.105 1.00 0.00 C ATOM 891 CE LYS A 412 -6.056 15.443 6.008 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.015 16.228 6.833 1.00 0.00 N ATOM 0 H LYS A 412 -5.811 10.892 3.938 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.414 12.329 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.515 12.223 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.264 13.446 5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.168 14.266 3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.329 12.955 3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.431 14.982 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.394 13.791 5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.365 14.911 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.459 16.123 5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.491 16.895 7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.658 16.756 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.567 15.582 7.433 1.00 0.00 H new ATOM 906 N LYS A 413 -3.538 10.209 6.231 1.00 0.00 N ATOM 907 CA LYS A 413 -2.723 9.513 7.221 1.00 0.00 C ATOM 908 C LYS A 413 -1.639 8.660 6.562 1.00 0.00 C ATOM 909 O LYS A 413 -0.501 8.620 7.029 1.00 0.00 O ATOM 910 CB LYS A 413 -3.606 8.639 8.115 1.00 0.00 C ATOM 911 CG LYS A 413 -4.659 9.428 8.879 1.00 0.00 C ATOM 912 CD LYS A 413 -5.505 8.529 9.769 1.00 0.00 C ATOM 913 CE LYS A 413 -4.679 7.891 10.875 1.00 0.00 C ATOM 914 NZ LYS A 413 -5.506 7.014 11.751 1.00 0.00 N ATOM 0 H LYS A 413 -4.516 9.920 6.212 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.228 10.269 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.101 7.887 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -2.975 8.105 8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -4.171 10.188 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -5.304 9.951 8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -6.314 9.111 10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -5.967 7.749 9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -3.872 7.306 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -4.214 8.672 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -4.906 6.598 12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -6.261 7.577 12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -5.929 6.254 11.181 1.00 0.00 H new ATOM 928 N VAL A 414 -2.002 7.973 5.482 1.00 0.00 N ATOM 929 CA VAL A 414 -1.062 7.112 4.768 1.00 0.00 C ATOM 930 C VAL A 414 0.057 7.921 4.118 1.00 0.00 C ATOM 931 O VAL A 414 1.236 7.602 4.273 1.00 0.00 O ATOM 932 CB VAL A 414 -1.778 6.283 3.683 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.794 5.375 2.962 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.911 5.473 4.294 1.00 0.00 C ATOM 0 H VAL A 414 -2.940 7.995 5.082 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.629 6.440 5.509 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.203 6.970 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.321 4.799 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -0.020 5.980 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.335 4.694 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.406 4.894 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.509 4.797 5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.631 6.147 4.758 1.00 0.00 H new ATOM 944 N ALA A 415 -0.320 8.962 3.386 1.00 0.00 N ATOM 945 CA ALA A 415 0.650 9.812 2.707 1.00 0.00 C ATOM 946 C ALA A 415 1.539 10.545 3.703 1.00 0.00 C ATOM 947 O ALA A 415 2.755 10.620 3.525 1.00 0.00 O ATOM 948 CB ALA A 415 -0.061 10.809 1.804 1.00 0.00 C ATOM 0 H ALA A 415 -1.292 9.238 3.247 1.00 0.00 H new ATOM 0 HA ALA A 415 1.286 9.171 2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.676 11.437 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.646 10.271 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.723 11.434 2.403 1.00 0.00 H new ATOM 954 N ASP A 416 0.927 11.085 4.750 1.00 0.00 N ATOM 955 CA ASP A 416 1.666 11.813 5.775 1.00 0.00 C ATOM 956 C ASP A 416 2.276 10.858 6.793 1.00 0.00 C ATOM 957 O ASP A 416 2.318 11.150 7.989 1.00 0.00 O ATOM 958 CB ASP A 416 0.751 12.815 6.480 1.00 0.00 C ATOM 959 CG ASP A 416 0.244 13.896 5.547 1.00 0.00 C ATOM 960 OD1 ASP A 416 -0.421 13.554 4.547 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.511 15.086 5.817 1.00 0.00 O ATOM 0 H ASP A 416 -0.079 11.033 4.912 1.00 0.00 H new ATOM 0 HA ASP A 416 2.476 12.354 5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.098 12.285 6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 416 1.292 13.277 7.306 1.00 0.00 H new ATOM 966 N GLU A 417 2.752 9.716 6.310 1.00 0.00 N ATOM 967 CA GLU A 417 3.364 8.716 7.178 1.00 0.00 C ATOM 968 C GLU A 417 4.749 9.162 7.642 1.00 0.00 C ATOM 969 O GLU A 417 5.500 8.375 8.220 1.00 0.00 O ATOM 970 CB GLU A 417 3.466 7.375 6.448 1.00 0.00 C ATOM 971 CG GLU A 417 4.277 7.442 5.164 1.00 0.00 C ATOM 972 CD GLU A 417 4.364 6.103 4.460 1.00 0.00 C ATOM 973 OE1 GLU A 417 3.304 5.557 4.088 1.00 0.00 O ATOM 974 OE2 GLU A 417 5.493 5.600 4.278 1.00 0.00 O ATOM 0 H GLU A 417 2.726 9.459 5.323 1.00 0.00 H new ATOM 0 HA GLU A 417 2.730 8.600 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 417 3.917 6.641 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 417 2.462 7.020 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 417 3.827 8.173 4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 417 5.283 7.795 5.392 1.00 0.00 H new ATOM 981 N THR A 418 5.074 10.429 7.389 1.00 0.00 N ATOM 982 CA THR A 418 6.362 10.993 7.783 1.00 0.00 C ATOM 983 C THR A 418 7.518 10.083 7.376 1.00 0.00 C ATOM 984 O THR A 418 8.353 9.712 8.202 1.00 0.00 O ATOM 985 CB THR A 418 6.421 11.255 9.301 1.00 0.00 C ATOM 986 OG1 THR A 418 6.324 10.021 10.022 1.00 0.00 O ATOM 987 CG2 THR A 418 5.292 12.184 9.726 1.00 0.00 C ATOM 0 H THR A 418 4.459 11.087 6.910 1.00 0.00 H new ATOM 0 HA THR A 418 6.463 11.943 7.259 1.00 0.00 H new ATOM 0 HB THR A 418 7.376 11.729 9.529 1.00 0.00 H new ATOM 0 HG1 THR A 418 6.393 9.270 9.396 1.00 0.00 H new ATOM 0 HG21 THR A 418 5.349 12.358 10.801 1.00 0.00 H new ATOM 0 HG22 THR A 418 5.384 13.134 9.199 1.00 0.00 H new ATOM 0 HG23 THR A 418 4.333 11.726 9.483 1.00 0.00 H new ATOM 995 N ALA A 419 7.556 9.723 6.095 1.00 0.00 N ATOM 996 CA ALA A 419 8.604 8.852 5.573 1.00 0.00 C ATOM 997 C ALA A 419 8.719 8.976 4.057 1.00 0.00 C ATOM 998 O ALA A 419 9.823 9.034 3.514 1.00 0.00 O ATOM 999 CB ALA A 419 8.334 7.408 5.964 1.00 0.00 C ATOM 0 H ALA A 419 6.872 10.022 5.400 1.00 0.00 H new ATOM 0 HA ALA A 419 9.552 9.166 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 419 9.124 6.770 5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 419 8.310 7.324 7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 419 7.374 7.094 5.555 1.00 0.00 H new ATOM 1005 N LYS A 420 7.575 9.013 3.380 1.00 0.00 N ATOM 1006 CA LYS A 420 7.551 9.129 1.926 1.00 0.00 C ATOM 1007 C LYS A 420 8.304 10.372 1.470 1.00 0.00 C ATOM 1008 O LYS A 420 9.117 10.316 0.548 1.00 0.00 O ATOM 1009 CB LYS A 420 6.108 9.175 1.417 1.00 0.00 C ATOM 1010 CG LYS A 420 5.305 7.924 1.740 1.00 0.00 C ATOM 1011 CD LYS A 420 5.895 6.680 1.085 1.00 0.00 C ATOM 1012 CE LYS A 420 5.715 6.687 -0.429 1.00 0.00 C ATOM 1013 NZ LYS A 420 6.507 7.761 -1.091 1.00 0.00 N ATOM 0 H LYS A 420 6.654 8.964 3.815 1.00 0.00 H new ATOM 0 HA LYS A 420 8.045 8.252 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 420 5.606 10.040 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 420 6.118 9.321 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 420 5.272 7.784 2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 420 4.277 8.057 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 420 6.957 6.615 1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 420 5.420 5.792 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 420 6.013 5.719 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 420 4.659 6.820 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 6.861 7.417 -2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 5.903 8.594 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 7.311 8.023 -0.485 1.00 0.00 H new ATOM 1027 N ASP A 421 8.028 11.492 2.127 1.00 0.00 N ATOM 1028 CA ASP A 421 8.679 12.754 1.800 1.00 0.00 C ATOM 1029 C ASP A 421 10.145 12.726 2.223 1.00 0.00 C ATOM 1030 O ASP A 421 10.467 12.369 3.357 1.00 0.00 O ATOM 1031 CB ASP A 421 7.955 13.915 2.487 1.00 0.00 C ATOM 1032 CG ASP A 421 8.523 15.270 2.106 1.00 0.00 C ATOM 1033 OD1 ASP A 421 9.446 15.317 1.267 1.00 0.00 O ATOM 1034 OD2 ASP A 421 8.037 16.287 2.645 1.00 0.00 O ATOM 0 H ASP A 421 7.356 11.552 2.892 1.00 0.00 H new ATOM 0 HA ASP A 421 8.632 12.897 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 421 6.897 13.883 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 421 8.020 13.789 3.568 1.00 0.00 H new ATOM 1039 N GLY A 422 11.029 13.104 1.304 1.00 0.00 N ATOM 1040 CA GLY A 422 12.451 13.114 1.601 1.00 0.00 C ATOM 1041 C GLY A 422 13.290 13.519 0.405 1.00 0.00 C ATOM 1042 O GLY A 422 13.061 13.049 -0.709 1.00 0.00 O ATOM 0 H GLY A 422 10.786 13.403 0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 422 12.642 13.802 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 422 12.756 12.123 1.936 1.00 0.00 H new ATOM 1046 N LYS A 423 14.266 14.394 0.636 1.00 0.00 N ATOM 1047 CA LYS A 423 15.144 14.863 -0.431 1.00 0.00 C ATOM 1048 C LYS A 423 16.271 15.724 0.131 1.00 0.00 C ATOM 1049 O LYS A 423 17.428 15.582 -0.265 1.00 0.00 O ATOM 1050 CB LYS A 423 14.345 15.659 -1.467 1.00 0.00 C ATOM 1051 CG LYS A 423 15.180 16.143 -2.642 1.00 0.00 C ATOM 1052 CD LYS A 423 14.332 16.867 -3.678 1.00 0.00 C ATOM 1053 CE LYS A 423 13.283 15.947 -4.284 1.00 0.00 C ATOM 1054 NZ LYS A 423 13.898 14.754 -4.931 1.00 0.00 N ATOM 0 H LYS A 423 14.468 14.792 1.553 1.00 0.00 H new ATOM 0 HA LYS A 423 15.584 13.991 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 423 13.532 15.037 -1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 423 13.889 16.520 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 423 15.962 16.811 -2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 423 15.677 15.293 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 423 13.842 17.723 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 423 14.975 17.257 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 423 12.592 15.622 -3.506 1.00 0.00 H new ATOM 0 HE3 LYS A 423 12.698 16.498 -5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 13.191 14.281 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 14.703 15.053 -5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 14.230 14.094 -4.199 1.00 0.00 H new ATOM 1068 N THR A 424 15.924 16.614 1.055 1.00 0.00 N ATOM 1069 CA THR A 424 16.907 17.499 1.672 1.00 0.00 C ATOM 1070 C THR A 424 17.996 16.703 2.384 1.00 0.00 C ATOM 1071 O THR A 424 17.718 15.707 3.053 1.00 0.00 O ATOM 1072 CB THR A 424 16.246 18.462 2.678 1.00 0.00 C ATOM 1073 OG1 THR A 424 17.244 19.273 3.308 1.00 0.00 O ATOM 1074 CG2 THR A 424 15.464 17.696 3.734 1.00 0.00 C ATOM 0 H THR A 424 14.970 16.742 1.393 1.00 0.00 H new ATOM 0 HA THR A 424 17.356 18.081 0.867 1.00 0.00 H new ATOM 0 HB THR A 424 15.552 19.100 2.131 1.00 0.00 H new ATOM 0 HG1 THR A 424 16.816 19.883 3.944 1.00 0.00 H new ATOM 0 HG21 THR A 424 15.008 18.399 4.431 1.00 0.00 H new ATOM 0 HG22 THR A 424 14.685 17.105 3.252 1.00 0.00 H new ATOM 0 HG23 THR A 424 16.138 17.033 4.277 1.00 0.00 H new ATOM 1082 N GLY A 425 19.238 17.151 2.233 1.00 0.00 N ATOM 1083 CA GLY A 425 20.358 16.477 2.862 1.00 0.00 C ATOM 1084 C GLY A 425 21.665 17.214 2.651 1.00 0.00 C ATOM 1085 O GLY A 425 22.687 16.604 2.332 1.00 0.00 O ATOM 0 H GLY A 425 19.489 17.973 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 425 20.167 16.380 3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 425 20.444 15.467 2.460 1.00 0.00 H new ATOM 1089 N ASN A 426 21.628 18.531 2.828 1.00 0.00 N ATOM 1090 CA ASN A 426 22.811 19.366 2.654 1.00 0.00 C ATOM 1091 C ASN A 426 23.917 18.967 3.626 1.00 0.00 C ATOM 1092 O ASN A 426 23.669 18.760 4.814 1.00 0.00 O ATOM 1093 CB ASN A 426 22.449 20.838 2.855 1.00 0.00 C ATOM 1094 CG ASN A 426 21.857 21.105 4.226 1.00 0.00 C ATOM 1095 OD1 ASN A 426 20.809 20.563 4.579 1.00 0.00 O ATOM 1096 ND2 ASN A 426 22.528 21.942 5.008 1.00 0.00 N ATOM 0 H ASN A 426 20.788 19.045 3.093 1.00 0.00 H new ATOM 0 HA ASN A 426 23.180 19.219 1.639 1.00 0.00 H new ATOM 0 HB2 ASN A 426 23.341 21.450 2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 426 21.736 21.142 2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 426 22.179 22.158 5.942 1.00 0.00 H new ATOM 0 HD22 ASN A 426 23.393 22.369 4.675 1.00 0.00 H new ATOM 1103 N THR A 427 25.139 18.865 3.111 1.00 0.00 N ATOM 1104 CA THR A 427 26.288 18.498 3.932 1.00 0.00 C ATOM 1105 C THR A 427 26.687 19.638 4.864 1.00 0.00 C ATOM 1106 O THR A 427 26.739 20.797 4.454 1.00 0.00 O ATOM 1107 CB THR A 427 27.501 18.110 3.062 1.00 0.00 C ATOM 1108 OG1 THR A 427 28.623 17.801 3.898 1.00 0.00 O ATOM 1109 CG2 THR A 427 27.868 19.236 2.106 1.00 0.00 C ATOM 0 H THR A 427 25.359 19.031 2.129 1.00 0.00 H new ATOM 0 HA THR A 427 25.987 17.636 4.527 1.00 0.00 H new ATOM 0 HB THR A 427 27.232 17.232 2.474 1.00 0.00 H new ATOM 0 HG1 THR A 427 29.389 17.554 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 427 28.726 18.937 1.504 1.00 0.00 H new ATOM 0 HG22 THR A 427 27.022 19.448 1.452 1.00 0.00 H new ATOM 0 HG23 THR A 427 28.119 20.130 2.676 1.00 0.00 H new ATOM 1117 N ASN A 428 26.973 19.296 6.118 1.00 0.00 N ATOM 1118 CA ASN A 428 27.373 20.284 7.112 1.00 0.00 C ATOM 1119 C ASN A 428 27.737 19.602 8.431 1.00 0.00 C ATOM 1120 O ASN A 428 28.372 18.547 8.435 1.00 0.00 O ATOM 1121 CB ASN A 428 26.254 21.307 7.329 1.00 0.00 C ATOM 1122 CG ASN A 428 24.970 20.671 7.823 1.00 0.00 C ATOM 1123 OD1 ASN A 428 24.393 19.812 7.156 1.00 0.00 O ATOM 1124 ND2 ASN A 428 24.515 21.091 8.997 1.00 0.00 N ATOM 0 H ASN A 428 26.934 18.339 6.469 1.00 0.00 H new ATOM 0 HA ASN A 428 28.254 20.808 6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 428 26.585 22.055 8.050 1.00 0.00 H new ATOM 0 HB3 ASN A 428 26.059 21.831 6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 428 23.655 20.699 9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 428 25.026 21.805 9.516 1.00 0.00 H new ATOM 1131 N THR A 429 27.334 20.206 9.549 1.00 0.00 N ATOM 1132 CA THR A 429 27.623 19.646 10.863 1.00 0.00 C ATOM 1133 C THR A 429 27.010 18.258 11.009 1.00 0.00 C ATOM 1134 O THR A 429 25.827 18.065 10.731 1.00 0.00 O ATOM 1135 CB THR A 429 27.091 20.553 11.989 1.00 0.00 C ATOM 1136 OG1 THR A 429 27.665 21.862 11.877 1.00 0.00 O ATOM 1137 CG2 THR A 429 27.415 19.970 13.358 1.00 0.00 C ATOM 0 H THR A 429 26.808 21.080 9.568 1.00 0.00 H new ATOM 0 HA THR A 429 28.707 19.574 10.949 1.00 0.00 H new ATOM 0 HB THR A 429 26.008 20.619 11.887 1.00 0.00 H new ATOM 0 HG1 THR A 429 27.320 22.433 12.595 1.00 0.00 H new ATOM 0 HG21 THR A 429 27.029 20.630 14.135 1.00 0.00 H new ATOM 0 HG22 THR A 429 26.953 18.987 13.453 1.00 0.00 H new ATOM 0 HG23 THR A 429 28.495 19.875 13.467 1.00 0.00 H new ATOM 1145 N THR A 430 27.830 17.302 11.448 1.00 0.00 N ATOM 1146 CA THR A 430 27.396 15.919 11.642 1.00 0.00 C ATOM 1147 C THR A 430 27.172 15.206 10.307 1.00 0.00 C ATOM 1148 O THR A 430 27.831 14.207 10.013 1.00 0.00 O ATOM 1149 CB THR A 430 26.106 15.838 12.485 1.00 0.00 C ATOM 1150 OG1 THR A 430 26.319 16.446 13.764 1.00 0.00 O ATOM 1151 CG2 THR A 430 25.671 14.392 12.674 1.00 0.00 C ATOM 0 H THR A 430 28.810 17.464 11.678 1.00 0.00 H new ATOM 0 HA THR A 430 28.200 15.418 12.180 1.00 0.00 H new ATOM 0 HB THR A 430 25.318 16.372 11.954 1.00 0.00 H new ATOM 0 HG1 THR A 430 25.496 16.392 14.293 1.00 0.00 H new ATOM 0 HG21 THR A 430 24.760 14.361 13.271 1.00 0.00 H new ATOM 0 HG22 THR A 430 25.482 13.939 11.701 1.00 0.00 H new ATOM 0 HG23 THR A 430 26.459 13.839 13.185 1.00 0.00 H new ATOM 1159 N GLY A 431 26.245 15.719 9.504 1.00 0.00 N ATOM 1160 CA GLY A 431 25.963 15.114 8.215 1.00 0.00 C ATOM 1161 C GLY A 431 24.772 15.748 7.523 1.00 0.00 C ATOM 1162 O GLY A 431 24.599 16.966 7.561 1.00 0.00 O ATOM 0 H GLY A 431 25.684 16.542 9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 431 26.841 15.204 7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 431 25.775 14.049 8.351 1.00 0.00 H new ATOM 1166 N SER A 432 23.946 14.918 6.892 1.00 0.00 N ATOM 1167 CA SER A 432 22.762 15.400 6.190 1.00 0.00 C ATOM 1168 C SER A 432 21.719 15.924 7.174 1.00 0.00 C ATOM 1169 O SER A 432 21.442 15.290 8.192 1.00 0.00 O ATOM 1170 CB SER A 432 22.161 14.284 5.336 1.00 0.00 C ATOM 1171 OG SER A 432 21.795 13.171 6.134 1.00 0.00 O ATOM 0 H SER A 432 24.076 13.907 6.853 1.00 0.00 H new ATOM 0 HA SER A 432 23.065 16.221 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 432 21.285 14.659 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 432 22.882 13.972 4.580 1.00 0.00 H new ATOM 0 HG SER A 432 21.412 12.472 5.564 1.00 0.00 H new ATOM 1177 N SER A 433 21.146 17.082 6.861 1.00 0.00 N ATOM 1178 CA SER A 433 20.132 17.690 7.717 1.00 0.00 C ATOM 1179 C SER A 433 18.901 16.795 7.822 1.00 0.00 C ATOM 1180 O SER A 433 18.113 16.758 6.854 1.00 0.00 O ATOM 1181 CB SER A 433 19.734 19.064 7.176 1.00 0.00 C ATOM 1182 OG SER A 433 18.764 19.678 8.007 1.00 0.00 O ATOM 1183 OXT SER A 433 18.735 16.140 8.872 1.00 0.00 O ATOM 0 H SER A 433 21.366 17.618 6.022 1.00 0.00 H new ATOM 0 HA SER A 433 20.558 17.810 8.713 1.00 0.00 H new ATOM 0 HB2 SER A 433 20.616 19.701 7.109 1.00 0.00 H new ATOM 0 HB3 SER A 433 19.338 18.960 6.166 1.00 0.00 H new ATOM 0 HG SER A 433 18.527 20.556 7.640 1.00 0.00 H new TER 1189 SER A 433