USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 671 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 NoAdj-H: A 392 HIS HE2 : A 392 HIS NE2 : A 449 ZNZN :(H bumps) USER MOD NoAdj-H: A 398 HIS HE2 : A 398 HIS NE2 : A 449 ZNZN :(H bumps) USER MOD NoAdj-H: A 434 HIS HE2 : A 434 HIS NE2 : A 450 ZNZN :(H bumps) USER MOD NoAdj-H: A 440 HIS HE2 : A 440 HIS NE2 : A 450 ZNZN :(H bumps) USER MOD Set 1.1: A 379 CYS SG : rot -136:sc= -15.5! USER MOD Set 1.2: A 385 CYS SG : rot 167:sc= -9.41! USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 362 THR OG1 : rot 180:sc= 0.00109 USER MOD Single : A 364 SER OG : rot -172:sc= -0.23 USER MOD Single : A 367 GLN : amide:sc= -1.66 K(o=-1.7,f=-10!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 373 LYS NZ :NH3+ -165:sc= -0.0533 (180deg=-0.349) USER MOD Single : A 375 LYS NZ :NH3+ -134:sc= -0.125 (180deg=-0.608) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot -80:sc= 0.223 USER MOD Single : A 380 MET CE :methyl -131:sc= -0.199 (180deg=-2.82!) USER MOD Single : A 381 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0449) USER MOD Single : A 389 ASN : amide:sc= -1.67 K(o=-1.7,f=-11!) USER MOD Single : A 394 GLN : amide:sc= -0.633 K(o=-0.63,f=-2!) USER MOD Single : A 395 HIS : no HD1:sc= -5.81! C(o=-5.8!,f=-8.2!) USER MOD Single : A 397 SER OG : rot 133:sc= -3.39! USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 408 GLN : amide:sc= -0.938 K(o=-0.94,f=-0.11) USER MOD Single : A 412 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.084) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot -31:sc= 0.294 USER MOD Single : A 427 CYS SG : rot -176:sc= -11.9! USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ -103:sc= -2.28! (180deg=-5.12!) USER MOD Single : A 431 ASN : amide:sc= -3.83! C(o=-3.8!,f=-3.2!) USER MOD Single : A 433 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.2) USER MOD Single : A 435 LYS NZ :NH3+ 169:sc=-0.000735 (180deg=-0.101) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -0.729 X(o=-0.73,f=-1) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 447 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -8.815 -3.557 25.689 1.00 0.00 N ATOM 2 CA GLY A -2 -10.108 -3.231 25.038 1.00 0.00 C ATOM 3 C GLY A -2 -9.905 -2.709 23.636 1.00 0.00 C ATOM 4 O GLY A -2 -9.278 -3.369 22.802 1.00 0.00 O ATOM 0 H1 GLY A -2 -8.990 -3.913 26.650 1.00 0.00 H new ATOM 0 H2 GLY A -2 -8.321 -4.286 25.135 1.00 0.00 H new ATOM 0 H3 GLY A -2 -8.226 -2.701 25.739 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -10.736 -4.121 25.009 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -10.638 -2.486 25.632 1.00 0.00 H new ATOM 10 N SER A -1 -10.428 -1.536 23.368 1.00 0.00 N ATOM 11 CA SER A -1 -10.321 -0.927 22.065 1.00 0.00 C ATOM 12 C SER A -1 -10.644 0.570 22.162 1.00 0.00 C ATOM 13 O SER A -1 -11.618 0.956 22.825 1.00 0.00 O ATOM 14 CB SER A -1 -11.278 -1.625 21.080 1.00 0.00 C ATOM 15 OG SER A -1 -12.571 -1.803 21.655 1.00 0.00 O ATOM 0 H SER A -1 -10.941 -0.976 24.049 1.00 0.00 H new ATOM 0 HA SER A -1 -9.301 -1.040 21.697 1.00 0.00 H new ATOM 0 HB2 SER A -1 -11.361 -1.033 20.168 1.00 0.00 H new ATOM 0 HB3 SER A -1 -10.868 -2.594 20.795 1.00 0.00 H new ATOM 0 HG SER A -1 -13.158 -2.247 21.008 1.00 0.00 H new ATOM 21 N LYS A 360 -9.804 1.403 21.552 1.00 0.00 N ATOM 22 CA LYS A 360 -10.009 2.843 21.514 1.00 0.00 C ATOM 23 C LYS A 360 -10.060 3.316 20.065 1.00 0.00 C ATOM 24 O LYS A 360 -9.275 4.163 19.650 1.00 0.00 O ATOM 25 CB LYS A 360 -8.910 3.596 22.276 1.00 0.00 C ATOM 26 CG LYS A 360 -8.983 3.449 23.797 1.00 0.00 C ATOM 27 CD LYS A 360 -8.403 2.127 24.306 1.00 0.00 C ATOM 28 CE LYS A 360 -6.927 1.974 23.919 1.00 0.00 C ATOM 29 NZ LYS A 360 -6.287 0.842 24.623 1.00 0.00 N ATOM 0 H LYS A 360 -8.960 1.094 21.069 1.00 0.00 H new ATOM 0 HA LYS A 360 -10.957 3.060 22.006 1.00 0.00 H new ATOM 0 HB2 LYS A 360 -7.938 3.239 21.935 1.00 0.00 H new ATOM 0 HB3 LYS A 360 -8.968 4.654 22.022 1.00 0.00 H new ATOM 0 HG2 LYS A 360 -8.446 4.276 24.261 1.00 0.00 H new ATOM 0 HG3 LYS A 360 -10.023 3.527 24.113 1.00 0.00 H new ATOM 0 HD2 LYS A 360 -8.503 2.078 25.390 1.00 0.00 H new ATOM 0 HD3 LYS A 360 -8.976 1.295 23.896 1.00 0.00 H new ATOM 0 HE2 LYS A 360 -6.848 1.824 22.842 1.00 0.00 H new ATOM 0 HE3 LYS A 360 -6.393 2.895 24.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 -5.290 0.772 24.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 -6.340 0.997 25.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 -6.780 -0.041 24.381 1.00 0.00 H new ATOM 43 N ALA A 361 -11.011 2.745 19.309 1.00 0.00 N ATOM 44 CA ALA A 361 -11.202 3.091 17.913 1.00 0.00 C ATOM 45 C ALA A 361 -11.672 4.545 17.800 1.00 0.00 C ATOM 46 O ALA A 361 -12.648 4.947 18.430 1.00 0.00 O ATOM 47 CB ALA A 361 -12.184 2.149 17.235 1.00 0.00 C ATOM 0 H ALA A 361 -11.659 2.037 19.655 1.00 0.00 H new ATOM 0 HA ALA A 361 -10.247 2.985 17.398 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -12.303 2.438 16.191 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -11.805 1.128 17.289 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -13.149 2.205 17.739 1.00 0.00 H new ATOM 53 N THR A 362 -10.948 5.313 16.992 1.00 0.00 N ATOM 54 CA THR A 362 -11.241 6.729 16.811 1.00 0.00 C ATOM 55 C THR A 362 -12.193 6.954 15.638 1.00 0.00 C ATOM 56 O THR A 362 -12.063 6.290 14.606 1.00 0.00 O ATOM 57 CB THR A 362 -9.938 7.528 16.559 1.00 0.00 C ATOM 58 OG1 THR A 362 -9.224 6.948 15.466 1.00 0.00 O ATOM 59 CG2 THR A 362 -9.062 7.546 17.797 1.00 0.00 C ATOM 0 H THR A 362 -10.152 4.976 16.451 1.00 0.00 H new ATOM 0 HA THR A 362 -11.717 7.079 17.727 1.00 0.00 H new ATOM 0 HB THR A 362 -10.205 8.557 16.317 1.00 0.00 H new ATOM 0 HG1 THR A 362 -8.401 7.456 15.307 1.00 0.00 H new ATOM 0 HG21 THR A 362 -8.154 8.113 17.592 1.00 0.00 H new ATOM 0 HG22 THR A 362 -9.604 8.013 18.619 1.00 0.00 H new ATOM 0 HG23 THR A 362 -8.797 6.525 18.070 1.00 0.00 H new ATOM 67 N ASP A 363 -13.136 7.852 15.814 1.00 0.00 N ATOM 68 CA ASP A 363 -14.043 8.249 14.730 1.00 0.00 C ATOM 69 C ASP A 363 -13.234 8.930 13.618 1.00 0.00 C ATOM 70 O ASP A 363 -13.033 10.136 13.650 1.00 0.00 O ATOM 71 CB ASP A 363 -15.156 9.160 15.230 1.00 0.00 C ATOM 72 CG ASP A 363 -16.091 9.652 14.154 1.00 0.00 C ATOM 73 OD1 ASP A 363 -16.892 8.847 13.633 1.00 0.00 O ATOM 74 OD2 ASP A 363 -16.065 10.865 13.827 1.00 0.00 O ATOM 0 H ASP A 363 -13.305 8.331 16.699 1.00 0.00 H new ATOM 0 HA ASP A 363 -14.523 7.354 14.333 1.00 0.00 H new ATOM 0 HB2 ASP A 363 -15.736 8.625 15.981 1.00 0.00 H new ATOM 0 HB3 ASP A 363 -14.708 10.021 15.727 1.00 0.00 H new ATOM 79 N SER A 364 -12.756 8.138 12.676 1.00 0.00 N ATOM 80 CA SER A 364 -11.896 8.647 11.620 1.00 0.00 C ATOM 81 C SER A 364 -12.712 9.342 10.546 1.00 0.00 C ATOM 82 O SER A 364 -13.054 8.763 9.508 1.00 0.00 O ATOM 83 CB SER A 364 -11.071 7.515 11.010 1.00 0.00 C ATOM 84 OG SER A 364 -10.046 8.022 10.153 1.00 0.00 O ATOM 0 H SER A 364 -12.948 7.138 12.619 1.00 0.00 H new ATOM 0 HA SER A 364 -11.216 9.377 12.059 1.00 0.00 H new ATOM 0 HB2 SER A 364 -10.622 6.920 11.805 1.00 0.00 H new ATOM 0 HB3 SER A 364 -11.724 6.850 10.445 1.00 0.00 H new ATOM 0 HG SER A 364 -9.617 7.278 9.680 1.00 0.00 H new ATOM 90 N VAL A 365 -13.083 10.597 10.820 1.00 0.00 N ATOM 91 CA VAL A 365 -13.765 11.423 9.840 1.00 0.00 C ATOM 92 C VAL A 365 -12.777 11.844 8.755 1.00 0.00 C ATOM 93 O VAL A 365 -11.823 12.591 9.021 1.00 0.00 O ATOM 94 CB VAL A 365 -14.405 12.672 10.533 1.00 0.00 C ATOM 95 CG1 VAL A 365 -13.381 13.442 11.372 1.00 0.00 C ATOM 96 CG2 VAL A 365 -15.088 13.585 9.529 1.00 0.00 C ATOM 0 H VAL A 365 -12.919 11.056 11.716 1.00 0.00 H new ATOM 0 HA VAL A 365 -14.569 10.850 9.378 1.00 0.00 H new ATOM 0 HB VAL A 365 -15.172 12.299 11.212 1.00 0.00 H new ATOM 0 HG11 VAL A 365 -13.864 14.302 11.837 1.00 0.00 H new ATOM 0 HG12 VAL A 365 -12.980 12.788 12.147 1.00 0.00 H new ATOM 0 HG13 VAL A 365 -12.569 13.785 10.731 1.00 0.00 H new ATOM 0 HG21 VAL A 365 -15.520 14.440 10.049 1.00 0.00 H new ATOM 0 HG22 VAL A 365 -14.357 13.935 8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 365 -15.878 13.036 9.016 1.00 0.00 H new ATOM 106 N LEU A 366 -12.971 11.334 7.534 1.00 0.00 N ATOM 107 CA LEU A 366 -12.000 11.484 6.457 1.00 0.00 C ATOM 108 C LEU A 366 -12.643 11.686 5.080 1.00 0.00 C ATOM 109 O LEU A 366 -11.926 11.751 4.066 1.00 0.00 O ATOM 110 CB LEU A 366 -11.054 10.265 6.445 1.00 0.00 C ATOM 111 CG LEU A 366 -11.732 8.885 6.487 1.00 0.00 C ATOM 112 CD1 LEU A 366 -12.495 8.591 5.168 1.00 0.00 C ATOM 113 CD2 LEU A 366 -10.715 7.773 6.781 1.00 0.00 C ATOM 0 H LEU A 366 -13.804 10.808 7.270 1.00 0.00 H new ATOM 0 HA LEU A 366 -11.435 12.394 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 366 -10.437 10.318 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 366 -10.382 10.344 7.299 1.00 0.00 H new ATOM 0 HG LEU A 366 -12.457 8.905 7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 366 -12.963 7.608 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 366 -13.263 9.350 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 366 -11.796 8.608 4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 366 -11.225 6.810 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 366 -9.953 7.761 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 366 -10.244 7.957 7.746 1.00 0.00 H new ATOM 125 N GLN A 367 -13.972 11.760 5.030 1.00 0.00 N ATOM 126 CA GLN A 367 -14.692 11.923 3.766 1.00 0.00 C ATOM 127 C GLN A 367 -14.065 13.033 2.905 1.00 0.00 C ATOM 128 O GLN A 367 -13.532 14.019 3.439 1.00 0.00 O ATOM 129 CB GLN A 367 -16.176 12.236 3.981 1.00 0.00 C ATOM 130 CG GLN A 367 -16.455 13.597 4.632 1.00 0.00 C ATOM 131 CD GLN A 367 -15.917 13.699 6.040 1.00 0.00 C ATOM 132 OE1 GLN A 367 -15.903 12.708 6.779 1.00 0.00 O ATOM 133 NE2 GLN A 367 -15.447 14.869 6.415 1.00 0.00 N ATOM 0 H GLN A 367 -14.574 11.710 5.852 1.00 0.00 H new ATOM 0 HA GLN A 367 -14.611 10.969 3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 367 -16.685 12.198 3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 367 -16.612 11.454 4.603 1.00 0.00 H new ATOM 0 HG2 GLN A 367 -16.011 14.383 4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 367 -17.531 13.773 4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 367 -15.478 15.661 5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 367 -15.051 14.984 7.348 1.00 0.00 H new ATOM 142 N GLY A 368 -14.135 12.870 1.583 1.00 0.00 N ATOM 143 CA GLY A 368 -13.520 13.806 0.671 1.00 0.00 C ATOM 144 C GLY A 368 -14.126 15.201 0.755 1.00 0.00 C ATOM 145 O GLY A 368 -15.304 15.345 1.065 1.00 0.00 O ATOM 0 H GLY A 368 -14.615 12.093 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -12.453 13.866 0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -13.621 13.432 -0.348 1.00 0.00 H new ATOM 149 N SER A 369 -13.300 16.209 0.481 1.00 0.00 N ATOM 150 CA SER A 369 -13.748 17.604 0.475 1.00 0.00 C ATOM 151 C SER A 369 -13.278 18.298 -0.806 1.00 0.00 C ATOM 152 O SER A 369 -13.517 19.476 -1.009 1.00 0.00 O ATOM 153 CB SER A 369 -13.215 18.329 1.713 1.00 0.00 C ATOM 154 OG SER A 369 -13.614 17.658 2.895 1.00 0.00 O ATOM 0 H SER A 369 -12.312 16.087 0.259 1.00 0.00 H new ATOM 0 HA SER A 369 -14.837 17.632 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 369 -12.127 18.383 1.669 1.00 0.00 H new ATOM 0 HB3 SER A 369 -13.585 19.354 1.728 1.00 0.00 H new ATOM 0 HG SER A 369 -13.263 18.135 3.676 1.00 0.00 H new ATOM 160 N GLU A 370 -12.635 17.528 -1.689 1.00 0.00 N ATOM 161 CA GLU A 370 -12.098 18.074 -2.945 1.00 0.00 C ATOM 162 C GLU A 370 -13.156 18.034 -4.051 1.00 0.00 C ATOM 163 O GLU A 370 -12.900 18.435 -5.191 1.00 0.00 O ATOM 164 CB GLU A 370 -10.835 17.310 -3.381 1.00 0.00 C ATOM 165 CG GLU A 370 -11.081 15.871 -3.844 1.00 0.00 C ATOM 166 CD GLU A 370 -11.594 14.969 -2.738 1.00 0.00 C ATOM 167 OE1 GLU A 370 -10.764 14.400 -1.995 1.00 0.00 O ATOM 168 OE2 GLU A 370 -12.825 14.854 -2.594 1.00 0.00 O ATOM 0 H GLU A 370 -12.473 16.529 -1.561 1.00 0.00 H new ATOM 0 HA GLU A 370 -11.824 19.114 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -10.356 17.860 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -10.132 17.293 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -11.801 15.877 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -10.152 15.459 -4.239 1.00 0.00 H new ATOM 175 N GLY A 371 -14.324 17.513 -3.692 1.00 0.00 N ATOM 176 CA GLY A 371 -15.427 17.432 -4.617 1.00 0.00 C ATOM 177 C GLY A 371 -15.280 16.276 -5.586 1.00 0.00 C ATOM 178 O GLY A 371 -15.863 16.295 -6.671 1.00 0.00 O ATOM 0 H GLY A 371 -14.523 17.142 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -16.358 17.321 -4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -15.499 18.365 -5.176 1.00 0.00 H new ATOM 182 N ASN A 372 -14.513 15.270 -5.196 1.00 0.00 N ATOM 183 CA ASN A 372 -14.273 14.092 -6.028 1.00 0.00 C ATOM 184 C ASN A 372 -14.378 12.820 -5.192 1.00 0.00 C ATOM 185 O ASN A 372 -14.238 12.859 -3.973 1.00 0.00 O ATOM 186 CB ASN A 372 -12.893 14.168 -6.716 1.00 0.00 C ATOM 187 CG ASN A 372 -12.811 15.247 -7.793 1.00 0.00 C ATOM 188 OD1 ASN A 372 -13.074 14.998 -8.967 1.00 0.00 O ATOM 189 ND2 ASN A 372 -12.453 16.451 -7.394 1.00 0.00 N ATOM 0 H ASN A 372 -14.037 15.243 -4.294 1.00 0.00 H new ATOM 0 HA ASN A 372 -15.037 14.067 -6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -12.129 14.359 -5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -12.664 13.201 -7.163 1.00 0.00 H new ATOM 0 HD21 ASN A 372 -12.387 17.213 -8.069 1.00 0.00 H new ATOM 0 HD22 ASN A 372 -12.242 16.621 -6.411 1.00 0.00 H new ATOM 196 N LYS A 373 -14.627 11.682 -5.841 1.00 0.00 N ATOM 197 CA LYS A 373 -14.676 10.398 -5.136 1.00 0.00 C ATOM 198 C LYS A 373 -13.266 9.818 -4.999 1.00 0.00 C ATOM 199 O LYS A 373 -13.043 8.882 -4.221 1.00 0.00 O ATOM 200 CB LYS A 373 -15.592 9.374 -5.837 1.00 0.00 C ATOM 201 CG LYS A 373 -15.007 8.720 -7.101 1.00 0.00 C ATOM 202 CD LYS A 373 -15.140 9.595 -8.358 1.00 0.00 C ATOM 203 CE LYS A 373 -16.601 9.796 -8.749 1.00 0.00 C ATOM 204 NZ LYS A 373 -17.327 8.516 -8.908 1.00 0.00 N ATOM 0 H LYS A 373 -14.797 11.621 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 373 -15.097 10.592 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -15.842 8.588 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -16.525 9.870 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -13.953 8.498 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -15.510 7.769 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -14.674 10.564 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -14.602 9.130 -9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -17.097 10.399 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -16.650 10.356 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -18.221 8.684 -9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -16.743 7.851 -9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -17.528 8.112 -7.971 1.00 0.00 H new ATOM 218 N VAL A 374 -12.324 10.385 -5.733 1.00 0.00 N ATOM 219 CA VAL A 374 -10.926 9.979 -5.667 1.00 0.00 C ATOM 220 C VAL A 374 -10.036 11.197 -5.507 1.00 0.00 C ATOM 221 O VAL A 374 -10.432 12.323 -5.820 1.00 0.00 O ATOM 222 CB VAL A 374 -10.493 9.204 -6.947 1.00 0.00 C ATOM 223 CG1 VAL A 374 -11.247 7.879 -7.082 1.00 0.00 C ATOM 224 CG2 VAL A 374 -10.685 10.081 -8.199 1.00 0.00 C ATOM 0 H VAL A 374 -12.505 11.141 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.819 9.319 -4.806 1.00 0.00 H new ATOM 0 HB VAL A 374 -9.433 8.966 -6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -10.920 7.365 -7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -11.041 7.253 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -12.318 8.074 -7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -10.378 9.524 -9.084 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -11.735 10.358 -8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.078 10.982 -8.109 1.00 0.00 H new ATOM 234 N LYS A 375 -8.834 10.950 -5.006 1.00 0.00 N ATOM 235 CA LYS A 375 -7.788 11.949 -4.973 1.00 0.00 C ATOM 236 C LYS A 375 -6.666 11.496 -5.898 1.00 0.00 C ATOM 237 O LYS A 375 -6.520 10.298 -6.141 1.00 0.00 O ATOM 238 CB LYS A 375 -7.303 12.198 -3.532 1.00 0.00 C ATOM 239 CG LYS A 375 -6.900 10.955 -2.745 1.00 0.00 C ATOM 240 CD LYS A 375 -5.536 10.422 -3.156 1.00 0.00 C ATOM 241 CE LYS A 375 -5.059 9.340 -2.195 1.00 0.00 C ATOM 242 NZ LYS A 375 -4.919 9.861 -0.806 1.00 0.00 N ATOM 0 H LYS A 375 -8.561 10.049 -4.612 1.00 0.00 H new ATOM 0 HA LYS A 375 -8.169 12.907 -5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -6.450 12.875 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -8.095 12.711 -2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -6.889 11.191 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -7.650 10.177 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -5.589 10.018 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -4.814 11.238 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -5.765 8.509 -2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -4.101 8.948 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -4.013 9.544 -0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -4.946 10.901 -0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -5.700 9.503 -0.220 1.00 0.00 H new ATOM 256 N ARG A 376 -5.888 12.432 -6.418 1.00 0.00 N ATOM 257 CA ARG A 376 -4.848 12.111 -7.379 1.00 0.00 C ATOM 258 C ARG A 376 -3.723 11.345 -6.714 1.00 0.00 C ATOM 259 O ARG A 376 -3.406 11.536 -5.522 1.00 0.00 O ATOM 260 CB ARG A 376 -4.292 13.344 -8.060 1.00 0.00 C ATOM 261 CG ARG A 376 -5.217 13.945 -9.105 1.00 0.00 C ATOM 262 CD ARG A 376 -6.203 14.919 -8.495 1.00 0.00 C ATOM 263 NE ARG A 376 -5.526 16.090 -7.926 1.00 0.00 N ATOM 264 CZ ARG A 376 -6.151 17.070 -7.275 1.00 0.00 C ATOM 265 NH1 ARG A 376 -7.472 17.013 -7.078 1.00 0.00 N ATOM 266 NH2 ARG A 376 -5.466 18.106 -6.802 1.00 0.00 N ATOM 0 H ARG A 376 -5.959 13.423 -6.189 1.00 0.00 H new ATOM 0 HA ARG A 376 -5.311 11.488 -8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -4.077 14.098 -7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.344 13.088 -8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.624 14.456 -9.863 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.761 13.147 -9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.913 15.243 -9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.777 14.416 -7.717 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.514 16.158 -8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -8.006 16.217 -7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -7.946 17.766 -6.579 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.456 18.154 -6.937 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -5.950 18.853 -6.304 1.00 0.00 H new ATOM 280 N THR A 377 -3.109 10.478 -7.502 1.00 0.00 N ATOM 281 CA THR A 377 -1.997 9.675 -7.042 1.00 0.00 C ATOM 282 C THR A 377 -0.688 10.354 -7.439 1.00 0.00 C ATOM 283 O THR A 377 -0.662 11.129 -8.398 1.00 0.00 O ATOM 284 CB THR A 377 -2.063 8.226 -7.609 1.00 0.00 C ATOM 285 OG1 THR A 377 -0.909 7.467 -7.205 1.00 0.00 O ATOM 286 CG2 THR A 377 -2.167 8.233 -9.122 1.00 0.00 C ATOM 0 H THR A 377 -3.369 10.314 -8.475 1.00 0.00 H new ATOM 0 HA THR A 377 -2.050 9.595 -5.956 1.00 0.00 H new ATOM 0 HB THR A 377 -2.958 7.756 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A 377 -0.970 6.559 -7.570 1.00 0.00 H new ATOM 0 HG21 THR A 377 -2.211 7.207 -9.488 1.00 0.00 H new ATOM 0 HG22 THR A 377 -3.070 8.765 -9.422 1.00 0.00 H new ATOM 0 HG23 THR A 377 -1.295 8.732 -9.544 1.00 0.00 H new ATOM 294 N SER A 378 0.378 10.100 -6.691 1.00 0.00 N ATOM 295 CA SER A 378 1.624 10.842 -6.856 1.00 0.00 C ATOM 296 C SER A 378 2.240 10.592 -8.244 1.00 0.00 C ATOM 297 O SER A 378 2.473 9.439 -8.644 1.00 0.00 O ATOM 298 CB SER A 378 2.581 10.456 -5.730 1.00 0.00 C ATOM 299 OG SER A 378 1.950 10.664 -4.479 1.00 0.00 O ATOM 0 H SER A 378 0.406 9.386 -5.963 1.00 0.00 H new ATOM 0 HA SER A 378 1.423 11.912 -6.796 1.00 0.00 H new ATOM 0 HB2 SER A 378 2.875 9.411 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 378 3.492 11.051 -5.793 1.00 0.00 H new ATOM 0 HG SER A 378 1.994 11.615 -4.245 1.00 0.00 H new ATOM 305 N CYS A 379 2.442 11.684 -8.977 1.00 0.00 N ATOM 306 CA CYS A 379 3.009 11.652 -10.315 1.00 0.00 C ATOM 307 C CYS A 379 4.294 10.814 -10.313 1.00 0.00 C ATOM 308 O CYS A 379 5.212 11.119 -9.559 1.00 0.00 O ATOM 309 CB CYS A 379 3.302 13.106 -10.769 1.00 0.00 C ATOM 310 SG CYS A 379 3.667 13.300 -12.565 1.00 0.00 S ATOM 0 H CYS A 379 2.213 12.623 -8.652 1.00 0.00 H new ATOM 0 HA CYS A 379 2.305 11.195 -11.011 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.444 13.729 -10.518 1.00 0.00 H new ATOM 0 HB3 CYS A 379 4.149 13.486 -10.198 1.00 0.00 H new ATOM 0 HG CYS A 379 4.680 14.100 -12.718 1.00 0.00 H new ATOM 315 N MET A 380 4.359 9.789 -11.151 1.00 0.00 N ATOM 316 CA MET A 380 5.458 8.835 -11.131 1.00 0.00 C ATOM 317 C MET A 380 6.813 9.548 -11.293 1.00 0.00 C ATOM 318 O MET A 380 7.843 9.086 -10.793 1.00 0.00 O ATOM 319 CB MET A 380 5.316 7.740 -12.207 1.00 0.00 C ATOM 320 CG MET A 380 5.589 8.210 -13.625 1.00 0.00 C ATOM 321 SD MET A 380 5.845 6.799 -14.757 1.00 0.00 S ATOM 322 CE MET A 380 7.387 6.172 -14.149 1.00 0.00 C ATOM 0 H MET A 380 3.653 9.596 -11.862 1.00 0.00 H new ATOM 0 HA MET A 380 5.419 8.348 -10.157 1.00 0.00 H new ATOM 0 HB2 MET A 380 6.000 6.925 -11.970 1.00 0.00 H new ATOM 0 HB3 MET A 380 4.306 7.332 -12.161 1.00 0.00 H new ATOM 0 HG2 MET A 380 4.753 8.814 -13.977 1.00 0.00 H new ATOM 0 HG3 MET A 380 6.471 8.851 -13.634 1.00 0.00 H new ATOM 0 HE1 MET A 380 8.073 6.021 -14.983 1.00 0.00 H new ATOM 0 HE2 MET A 380 7.819 6.886 -13.448 1.00 0.00 H new ATOM 0 HE3 MET A 380 7.219 5.222 -13.641 1.00 0.00 H new ATOM 332 N TYR A 381 6.809 10.673 -11.991 1.00 0.00 N ATOM 333 CA TYR A 381 8.011 11.468 -12.149 1.00 0.00 C ATOM 334 C TYR A 381 8.017 12.640 -11.147 1.00 0.00 C ATOM 335 O TYR A 381 9.076 13.293 -10.979 1.00 0.00 O ATOM 336 CB TYR A 381 8.137 11.996 -13.587 1.00 0.00 C ATOM 337 CG TYR A 381 8.288 10.927 -14.650 1.00 0.00 C ATOM 338 CD1 TYR A 381 9.302 9.986 -14.576 1.00 0.00 C ATOM 339 CD2 TYR A 381 7.415 10.870 -15.734 1.00 0.00 C ATOM 340 CE1 TYR A 381 9.465 9.019 -15.547 1.00 0.00 C ATOM 341 CE2 TYR A 381 7.580 9.896 -16.714 1.00 0.00 C ATOM 342 CZ TYR A 381 8.599 8.983 -16.618 1.00 0.00 C ATOM 343 OH TYR A 381 8.764 8.020 -17.599 1.00 0.00 O ATOM 0 H TYR A 381 5.985 11.054 -12.456 1.00 0.00 H new ATOM 0 HA TYR A 381 8.869 10.827 -11.945 1.00 0.00 H new ATOM 0 HB2 TYR A 381 7.255 12.594 -13.817 1.00 0.00 H new ATOM 0 HB3 TYR A 381 8.997 12.663 -13.639 1.00 0.00 H new ATOM 0 HD1 TYR A 381 9.982 10.010 -13.737 1.00 0.00 H new ATOM 0 HD2 TYR A 381 6.608 11.583 -15.814 1.00 0.00 H new ATOM 0 HE1 TYR A 381 10.264 8.297 -15.468 1.00 0.00 H new ATOM 0 HE2 TYR A 381 6.902 9.859 -17.554 1.00 0.00 H new ATOM 0 HH TYR A 381 8.072 8.129 -18.284 1.00 0.00 H new ATOM 353 N GLY A 382 6.887 12.934 -10.549 1.00 0.00 N ATOM 354 CA GLY A 382 6.788 14.018 -9.597 1.00 0.00 C ATOM 355 C GLY A 382 7.099 15.367 -10.245 1.00 0.00 C ATOM 356 O GLY A 382 6.314 15.877 -11.035 1.00 0.00 O ATOM 0 H GLY A 382 6.013 12.432 -10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.784 14.040 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.478 13.842 -8.772 1.00 0.00 H new ATOM 360 N ALA A 383 8.263 15.921 -9.919 1.00 0.00 N ATOM 361 CA ALA A 383 8.681 17.201 -10.489 1.00 0.00 C ATOM 362 C ALA A 383 9.345 17.039 -11.848 1.00 0.00 C ATOM 363 O ALA A 383 9.528 18.018 -12.582 1.00 0.00 O ATOM 364 CB ALA A 383 9.632 17.907 -9.511 1.00 0.00 C ATOM 0 H ALA A 383 8.931 15.508 -9.268 1.00 0.00 H new ATOM 0 HA ALA A 383 7.788 17.807 -10.643 1.00 0.00 H new ATOM 0 HB1 ALA A 383 9.945 18.862 -9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 383 9.119 18.080 -8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 383 10.508 17.281 -9.340 1.00 0.00 H new ATOM 370 N ASN A 384 9.710 15.803 -12.199 1.00 0.00 N ATOM 371 CA ASN A 384 10.462 15.532 -13.422 1.00 0.00 C ATOM 372 C ASN A 384 9.559 15.475 -14.654 1.00 0.00 C ATOM 373 O ASN A 384 10.013 15.712 -15.776 1.00 0.00 O ATOM 374 CB ASN A 384 11.254 14.236 -13.282 1.00 0.00 C ATOM 375 CG ASN A 384 12.250 14.291 -12.136 1.00 0.00 C ATOM 376 OD1 ASN A 384 13.398 14.719 -12.302 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.837 13.878 -10.953 1.00 0.00 N ATOM 0 H ASN A 384 9.494 14.972 -11.649 1.00 0.00 H new ATOM 0 HA ASN A 384 11.155 16.361 -13.567 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.565 13.407 -13.122 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.785 14.035 -14.213 1.00 0.00 H new ATOM 0 HD21 ASN A 384 12.469 13.908 -10.153 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.886 13.529 -10.838 1.00 0.00 H new ATOM 384 N CYS A 385 8.287 15.139 -14.455 1.00 0.00 N ATOM 385 CA CYS A 385 7.362 15.042 -15.591 1.00 0.00 C ATOM 386 C CYS A 385 7.125 16.403 -16.218 1.00 0.00 C ATOM 387 O CYS A 385 6.562 17.310 -15.581 1.00 0.00 O ATOM 388 CB CYS A 385 6.027 14.387 -15.174 1.00 0.00 C ATOM 389 SG CYS A 385 5.263 15.070 -13.656 1.00 0.00 S ATOM 0 H CYS A 385 7.877 14.933 -13.544 1.00 0.00 H new ATOM 0 HA CYS A 385 7.826 14.401 -16.341 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.318 14.490 -15.996 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.194 13.320 -15.029 1.00 0.00 H new ATOM 0 HG CYS A 385 4.035 14.654 -13.563 1.00 0.00 H new ATOM 394 N TYR A 386 7.584 16.544 -17.449 1.00 0.00 N ATOM 395 CA TYR A 386 7.413 17.778 -18.223 1.00 0.00 C ATOM 396 C TYR A 386 6.070 17.790 -18.937 1.00 0.00 C ATOM 397 O TYR A 386 5.796 18.636 -19.792 1.00 0.00 O ATOM 398 CB TYR A 386 8.568 17.940 -19.231 1.00 0.00 C ATOM 399 CG TYR A 386 8.815 16.726 -20.108 1.00 0.00 C ATOM 400 CD1 TYR A 386 8.107 16.513 -21.273 1.00 0.00 C ATOM 401 CD2 TYR A 386 9.772 15.778 -19.736 1.00 0.00 C ATOM 402 CE1 TYR A 386 8.332 15.410 -22.055 1.00 0.00 C ATOM 403 CE2 TYR A 386 10.000 14.668 -20.519 1.00 0.00 C ATOM 404 CZ TYR A 386 9.290 14.487 -21.670 1.00 0.00 C ATOM 405 OH TYR A 386 9.522 13.364 -22.450 1.00 0.00 O ATOM 0 H TYR A 386 8.087 15.810 -17.948 1.00 0.00 H new ATOM 0 HA TYR A 386 7.433 18.622 -17.533 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.357 18.797 -19.870 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.482 18.168 -18.683 1.00 0.00 H new ATOM 0 HD1 TYR A 386 7.359 17.231 -21.575 1.00 0.00 H new ATOM 0 HD2 TYR A 386 10.338 15.917 -18.827 1.00 0.00 H new ATOM 0 HE1 TYR A 386 7.767 15.262 -22.964 1.00 0.00 H new ATOM 0 HE2 TYR A 386 10.741 13.941 -20.222 1.00 0.00 H new ATOM 0 HH TYR A 386 10.226 12.820 -22.039 1.00 0.00 H new ATOM 415 N ARG A 387 5.218 16.818 -18.598 1.00 0.00 N ATOM 416 CA ARG A 387 3.878 16.752 -19.155 1.00 0.00 C ATOM 417 C ARG A 387 3.080 17.997 -18.748 1.00 0.00 C ATOM 418 O ARG A 387 3.095 18.383 -17.584 1.00 0.00 O ATOM 419 CB ARG A 387 3.178 15.466 -18.705 1.00 0.00 C ATOM 420 CG ARG A 387 3.777 14.187 -19.322 1.00 0.00 C ATOM 421 CD ARG A 387 3.661 14.195 -20.837 1.00 0.00 C ATOM 422 NE ARG A 387 4.475 13.152 -21.452 1.00 0.00 N ATOM 423 CZ ARG A 387 4.881 13.176 -22.729 1.00 0.00 C ATOM 424 NH1 ARG A 387 4.453 14.152 -23.533 1.00 0.00 N ATOM 425 NH2 ARG A 387 5.682 12.233 -23.188 1.00 0.00 N ATOM 0 H ARG A 387 5.439 16.070 -17.941 1.00 0.00 H new ATOM 0 HA ARG A 387 3.941 16.732 -20.243 1.00 0.00 H new ATOM 0 HB2 ARG A 387 3.232 15.394 -17.619 1.00 0.00 H new ATOM 0 HB3 ARG A 387 2.122 15.526 -18.969 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.825 14.100 -19.036 1.00 0.00 H new ATOM 0 HG3 ARG A 387 3.264 13.313 -18.921 1.00 0.00 H new ATOM 0 HD2 ARG A 387 2.618 14.056 -21.122 1.00 0.00 H new ATOM 0 HD3 ARG A 387 3.969 15.168 -21.219 1.00 0.00 H new ATOM 0 HE ARG A 387 4.752 12.357 -20.876 1.00 0.00 H new ATOM 0 HH11 ARG A 387 3.823 14.870 -23.174 1.00 0.00 H new ATOM 0 HH12 ARG A 387 4.756 14.180 -24.507 1.00 0.00 H new ATOM 0 HH21 ARG A 387 5.994 11.483 -22.570 1.00 0.00 H new ATOM 0 HH22 ARG A 387 5.989 12.254 -24.160 1.00 0.00 H new ATOM 439 N LYS A 388 2.399 18.581 -19.710 1.00 0.00 N ATOM 440 CA LYS A 388 1.732 19.863 -19.544 1.00 0.00 C ATOM 441 C LYS A 388 0.229 19.713 -19.762 1.00 0.00 C ATOM 442 O LYS A 388 -0.538 20.640 -19.525 1.00 0.00 O ATOM 443 CB LYS A 388 2.305 20.923 -20.512 1.00 0.00 C ATOM 444 CG LYS A 388 1.852 20.814 -21.966 1.00 0.00 C ATOM 445 CD LYS A 388 2.393 19.571 -22.644 1.00 0.00 C ATOM 446 CE LYS A 388 2.058 19.552 -24.120 1.00 0.00 C ATOM 447 NZ LYS A 388 2.851 20.537 -24.899 1.00 0.00 N ATOM 0 H LYS A 388 2.289 18.178 -20.641 1.00 0.00 H new ATOM 0 HA LYS A 388 1.912 20.202 -18.524 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.033 21.911 -20.140 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.393 20.861 -20.485 1.00 0.00 H new ATOM 0 HG2 LYS A 388 0.763 20.802 -22.005 1.00 0.00 H new ATOM 0 HG3 LYS A 388 2.181 21.697 -22.514 1.00 0.00 H new ATOM 0 HD2 LYS A 388 3.474 19.527 -22.515 1.00 0.00 H new ATOM 0 HD3 LYS A 388 1.978 18.684 -22.165 1.00 0.00 H new ATOM 0 HE2 LYS A 388 2.237 18.552 -24.516 1.00 0.00 H new ATOM 0 HE3 LYS A 388 0.996 19.761 -24.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 2.684 20.391 -25.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 2.563 21.501 -24.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 3.862 20.409 -24.693 1.00 0.00 H new ATOM 461 N ASN A 389 -0.163 18.524 -20.207 1.00 0.00 N ATOM 462 CA ASN A 389 -1.563 18.215 -20.432 1.00 0.00 C ATOM 463 C ASN A 389 -2.315 18.177 -19.095 1.00 0.00 C ATOM 464 O ASN A 389 -1.825 17.630 -18.116 1.00 0.00 O ATOM 465 CB ASN A 389 -1.719 16.867 -21.135 1.00 0.00 C ATOM 466 CG ASN A 389 -1.009 15.732 -20.412 1.00 0.00 C ATOM 467 OD1 ASN A 389 0.069 15.915 -19.840 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.600 14.550 -20.428 1.00 0.00 N ATOM 0 H ASN A 389 0.476 17.758 -20.419 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.982 18.995 -21.068 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.779 16.629 -21.220 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -1.327 16.945 -22.149 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.165 13.756 -19.958 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.491 14.432 -20.910 1.00 0.00 H new ATOM 475 N PRO A 390 -3.538 18.777 -19.065 1.00 0.00 N ATOM 476 CA PRO A 390 -4.319 18.864 -17.830 1.00 0.00 C ATOM 477 C PRO A 390 -4.644 17.472 -17.290 1.00 0.00 C ATOM 478 O PRO A 390 -4.737 17.266 -16.078 1.00 0.00 O ATOM 479 CB PRO A 390 -5.600 19.597 -18.266 1.00 0.00 C ATOM 480 CG PRO A 390 -5.665 19.395 -19.727 1.00 0.00 C ATOM 481 CD PRO A 390 -4.256 19.368 -20.204 1.00 0.00 C ATOM 0 HA PRO A 390 -3.788 19.377 -17.028 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.480 19.187 -17.770 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.556 20.656 -18.014 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -6.176 18.463 -19.969 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -6.223 20.199 -20.207 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -4.146 18.768 -21.107 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.889 20.367 -20.439 1.00 0.00 H new ATOM 489 N VAL A 391 -4.779 16.514 -18.203 1.00 0.00 N ATOM 490 CA VAL A 391 -5.086 15.132 -17.847 1.00 0.00 C ATOM 491 C VAL A 391 -4.025 14.562 -16.937 1.00 0.00 C ATOM 492 O VAL A 391 -4.329 13.830 -15.992 1.00 0.00 O ATOM 493 CB VAL A 391 -5.256 14.256 -19.110 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.519 12.817 -18.736 1.00 0.00 C ATOM 495 CG2 VAL A 391 -6.380 14.804 -20.014 1.00 0.00 C ATOM 0 H VAL A 391 -4.679 16.673 -19.206 1.00 0.00 H new ATOM 0 HA VAL A 391 -6.033 15.129 -17.307 1.00 0.00 H new ATOM 0 HB VAL A 391 -4.323 14.293 -19.673 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.635 12.221 -19.641 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.681 12.433 -18.154 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.431 12.756 -18.142 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -6.480 14.170 -20.895 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -7.320 14.809 -19.463 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -6.135 15.820 -20.323 1.00 0.00 H new ATOM 505 N HIS A 392 -2.756 14.875 -17.225 1.00 0.00 N ATOM 506 CA HIS A 392 -1.645 14.376 -16.424 1.00 0.00 C ATOM 507 C HIS A 392 -1.845 14.740 -14.941 1.00 0.00 C ATOM 508 O HIS A 392 -1.674 13.893 -14.051 1.00 0.00 O ATOM 509 CB HIS A 392 -0.324 14.963 -16.939 1.00 0.00 C ATOM 510 CG HIS A 392 0.884 14.513 -16.160 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.437 13.259 -16.253 1.00 0.00 N ATOM 512 CD2 HIS A 392 1.628 15.187 -15.256 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.492 13.204 -15.416 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.646 14.362 -14.777 1.00 0.00 N ATOM 0 H HIS A 392 -2.479 15.470 -18.006 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.610 13.290 -16.512 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -0.196 14.683 -17.985 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.383 16.051 -16.905 1.00 0.00 H new ATOM 0 HD1 HIS A 392 1.107 12.502 -16.851 1.00 0.00 H new ATOM 0 HD2 HIS A 392 1.460 16.209 -14.951 1.00 0.00 H new ATOM 0 HE1 HIS A 392 3.125 12.340 -15.282 1.00 0.00 H new ATOM 522 N PHE A 393 -2.257 15.984 -14.705 1.00 0.00 N ATOM 523 CA PHE A 393 -2.436 16.498 -13.358 1.00 0.00 C ATOM 524 C PHE A 393 -3.788 16.074 -12.801 1.00 0.00 C ATOM 525 O PHE A 393 -3.960 15.970 -11.577 1.00 0.00 O ATOM 526 CB PHE A 393 -2.328 18.029 -13.357 1.00 0.00 C ATOM 527 CG PHE A 393 -1.029 18.532 -13.928 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.886 18.745 -15.296 1.00 0.00 C ATOM 529 CD2 PHE A 393 0.058 18.778 -13.099 1.00 0.00 C ATOM 530 CE1 PHE A 393 0.314 19.191 -15.820 1.00 0.00 C ATOM 531 CE2 PHE A 393 1.258 19.234 -13.618 1.00 0.00 C ATOM 532 CZ PHE A 393 1.386 19.432 -14.982 1.00 0.00 C ATOM 0 H PHE A 393 -2.474 16.657 -15.440 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.651 16.085 -12.724 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.155 18.446 -13.931 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.434 18.394 -12.335 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -1.721 18.560 -15.956 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -0.034 18.611 -12.036 1.00 0.00 H new ATOM 0 HE1 PHE A 393 0.413 19.351 -16.884 1.00 0.00 H new ATOM 0 HE2 PHE A 393 2.091 19.435 -12.961 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.325 19.775 -15.392 1.00 0.00 H new ATOM 542 N GLN A 394 -4.740 15.810 -13.688 1.00 0.00 N ATOM 543 CA GLN A 394 -6.111 15.483 -13.271 1.00 0.00 C ATOM 544 C GLN A 394 -6.149 14.150 -12.538 1.00 0.00 C ATOM 545 O GLN A 394 -7.029 13.915 -11.699 1.00 0.00 O ATOM 546 CB GLN A 394 -7.065 15.498 -14.486 1.00 0.00 C ATOM 547 CG GLN A 394 -7.317 14.121 -15.146 1.00 0.00 C ATOM 548 CD GLN A 394 -8.503 13.395 -14.531 1.00 0.00 C ATOM 549 OE1 GLN A 394 -9.453 14.014 -14.046 1.00 0.00 O ATOM 550 NE2 GLN A 394 -8.480 12.061 -14.545 1.00 0.00 N ATOM 0 H GLN A 394 -4.596 15.814 -14.698 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.455 16.246 -12.573 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.023 15.912 -14.170 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -6.658 16.174 -15.238 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.492 14.259 -16.213 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.424 13.504 -15.046 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -7.684 11.569 -14.951 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -9.258 11.533 -14.150 1.00 0.00 H new ATOM 559 N HIS A 395 -5.208 13.259 -12.858 1.00 0.00 N ATOM 560 CA HIS A 395 -5.171 11.948 -12.222 1.00 0.00 C ATOM 561 C HIS A 395 -3.871 11.702 -11.446 1.00 0.00 C ATOM 562 O HIS A 395 -3.735 10.684 -10.784 1.00 0.00 O ATOM 563 CB HIS A 395 -5.393 10.817 -13.241 1.00 0.00 C ATOM 564 CG HIS A 395 -4.636 10.949 -14.527 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.316 11.283 -14.595 1.00 0.00 N ATOM 566 CD2 HIS A 395 -5.031 10.714 -15.802 1.00 0.00 C ATOM 567 CE1 HIS A 395 -2.904 11.238 -15.853 1.00 0.00 C ATOM 568 NE2 HIS A 395 -3.936 10.891 -16.603 1.00 0.00 N ATOM 0 H HIS A 395 -4.472 13.421 -13.545 1.00 0.00 H new ATOM 0 HA HIS A 395 -5.992 11.943 -11.504 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -5.118 9.871 -12.773 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.457 10.762 -13.470 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -6.024 10.439 -16.125 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -1.904 11.447 -16.203 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -3.919 10.774 -17.616 1.00 0.00 H new ATOM 577 N PHE A 396 -2.934 12.652 -11.518 1.00 0.00 N ATOM 578 CA PHE A 396 -1.674 12.533 -10.775 1.00 0.00 C ATOM 579 C PHE A 396 -1.287 13.887 -10.183 1.00 0.00 C ATOM 580 O PHE A 396 -1.207 14.890 -10.881 1.00 0.00 O ATOM 581 CB PHE A 396 -0.530 12.001 -11.667 1.00 0.00 C ATOM 582 CG PHE A 396 -0.524 10.497 -11.886 1.00 0.00 C ATOM 583 CD1 PHE A 396 -1.367 9.917 -12.818 1.00 0.00 C ATOM 584 CD2 PHE A 396 0.323 9.669 -11.168 1.00 0.00 C ATOM 585 CE1 PHE A 396 -1.376 8.550 -13.032 1.00 0.00 C ATOM 586 CE2 PHE A 396 0.336 8.307 -11.379 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.514 7.738 -12.313 1.00 0.00 C ATOM 0 H PHE A 396 -3.021 13.502 -12.075 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.830 11.813 -9.971 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.590 12.493 -12.638 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.421 12.291 -11.221 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -2.033 10.545 -13.391 1.00 0.00 H new ATOM 0 HD2 PHE A 396 0.985 10.098 -10.430 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -2.051 8.118 -13.756 1.00 0.00 H new ATOM 0 HE2 PHE A 396 1.011 7.681 -10.814 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.505 6.671 -12.479 1.00 0.00 H new ATOM 597 N SER A 397 -1.042 13.903 -8.861 1.00 0.00 N ATOM 598 CA SER A 397 -0.630 15.103 -8.137 1.00 0.00 C ATOM 599 C SER A 397 0.872 15.321 -8.251 1.00 0.00 C ATOM 600 O SER A 397 1.623 14.399 -8.526 1.00 0.00 O ATOM 601 CB SER A 397 -1.020 14.989 -6.667 1.00 0.00 C ATOM 602 OG SER A 397 -2.432 14.899 -6.503 1.00 0.00 O ATOM 0 H SER A 397 -1.127 13.077 -8.269 1.00 0.00 H new ATOM 0 HA SER A 397 -1.139 15.957 -8.583 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.546 14.109 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 397 -0.645 15.855 -6.122 1.00 0.00 H new ATOM 0 HG SER A 397 -2.644 14.169 -5.884 1.00 0.00 H new ATOM 608 N HIS A 398 1.305 16.559 -8.032 1.00 0.00 N ATOM 609 CA HIS A 398 2.712 16.934 -8.147 1.00 0.00 C ATOM 610 C HIS A 398 3.161 17.644 -6.871 1.00 0.00 C ATOM 611 O HIS A 398 2.322 18.088 -6.101 1.00 0.00 O ATOM 612 CB HIS A 398 2.911 17.822 -9.378 1.00 0.00 C ATOM 613 CG HIS A 398 2.655 17.074 -10.644 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.427 16.497 -10.974 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.516 16.697 -11.611 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.592 15.812 -12.100 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.832 15.891 -12.541 1.00 0.00 N ATOM 0 H HIS A 398 0.691 17.331 -7.770 1.00 0.00 H new ATOM 0 HA HIS A 398 3.324 16.040 -8.272 1.00 0.00 H new ATOM 0 HB2 HIS A 398 2.241 18.680 -9.320 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.929 18.212 -9.385 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.559 16.586 -10.445 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.560 16.969 -11.664 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.807 15.258 -12.594 1.00 0.00 H new ATOM 625 N PRO A 399 4.475 17.735 -6.632 1.00 0.00 N ATOM 626 CA PRO A 399 5.000 18.396 -5.429 1.00 0.00 C ATOM 627 C PRO A 399 4.474 19.816 -5.308 1.00 0.00 C ATOM 628 O PRO A 399 4.872 20.734 -6.049 1.00 0.00 O ATOM 629 CB PRO A 399 6.534 18.382 -5.629 1.00 0.00 C ATOM 630 CG PRO A 399 6.724 18.095 -7.079 1.00 0.00 C ATOM 631 CD PRO A 399 5.563 17.219 -7.463 1.00 0.00 C ATOM 0 HA PRO A 399 4.695 17.893 -4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.978 19.338 -5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 399 7.007 17.620 -5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.734 19.014 -7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.674 17.592 -7.260 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.332 17.297 -8.525 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.765 16.168 -7.257 1.00 0.00 H new ATOM 639 N GLY A 400 3.557 19.998 -4.377 1.00 0.00 N ATOM 640 CA GLY A 400 2.921 21.294 -4.171 1.00 0.00 C ATOM 641 C GLY A 400 1.415 21.239 -4.364 1.00 0.00 C ATOM 642 O GLY A 400 0.733 22.255 -4.209 1.00 0.00 O ATOM 0 H GLY A 400 3.232 19.265 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 400 3.143 21.648 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.347 22.019 -4.865 1.00 0.00 H new ATOM 646 N ASP A 401 0.893 20.052 -4.710 1.00 0.00 N ATOM 647 CA ASP A 401 -0.539 19.880 -4.930 1.00 0.00 C ATOM 648 C ASP A 401 -1.188 19.370 -3.639 1.00 0.00 C ATOM 649 O ASP A 401 -0.559 18.667 -2.859 1.00 0.00 O ATOM 650 CB ASP A 401 -0.787 18.894 -6.087 1.00 0.00 C ATOM 651 CG ASP A 401 -2.271 18.669 -6.376 1.00 0.00 C ATOM 652 OD1 ASP A 401 -2.879 19.508 -7.089 1.00 0.00 O ATOM 653 OD2 ASP A 401 -2.821 17.656 -5.931 1.00 0.00 O ATOM 0 H ASP A 401 1.444 19.204 -4.841 1.00 0.00 H new ATOM 0 HA ASP A 401 -0.984 20.838 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.301 19.270 -6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.321 17.938 -5.848 1.00 0.00 H new ATOM 658 N SER A 402 -2.449 19.750 -3.433 1.00 0.00 N ATOM 659 CA SER A 402 -3.169 19.426 -2.202 1.00 0.00 C ATOM 660 C SER A 402 -3.322 17.907 -2.025 1.00 0.00 C ATOM 661 O SER A 402 -3.332 17.405 -0.905 1.00 0.00 O ATOM 662 CB SER A 402 -4.571 20.089 -2.236 1.00 0.00 C ATOM 663 OG SER A 402 -5.269 19.935 -0.993 1.00 0.00 O ATOM 0 H SER A 402 -2.995 20.286 -4.107 1.00 0.00 H new ATOM 0 HA SER A 402 -2.593 19.808 -1.359 1.00 0.00 H new ATOM 0 HB2 SER A 402 -4.465 21.150 -2.463 1.00 0.00 H new ATOM 0 HB3 SER A 402 -5.161 19.648 -3.040 1.00 0.00 H new ATOM 0 HG SER A 402 -6.146 20.367 -1.055 1.00 0.00 H new ATOM 669 N ASP A 403 -3.400 17.184 -3.144 1.00 0.00 N ATOM 670 CA ASP A 403 -3.659 15.756 -3.102 1.00 0.00 C ATOM 671 C ASP A 403 -2.356 14.968 -3.195 1.00 0.00 C ATOM 672 O ASP A 403 -2.359 13.738 -3.178 1.00 0.00 O ATOM 673 CB ASP A 403 -4.606 15.347 -4.246 1.00 0.00 C ATOM 674 CG ASP A 403 -5.996 15.972 -4.113 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.098 17.195 -3.870 1.00 0.00 O ATOM 676 OD2 ASP A 403 -7.000 15.242 -4.251 1.00 0.00 O ATOM 0 H ASP A 403 -3.287 17.568 -4.082 1.00 0.00 H new ATOM 0 HA ASP A 403 -4.137 15.526 -2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.168 15.644 -5.199 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -4.700 14.261 -4.264 1.00 0.00 H new ATOM 681 N TYR A 404 -1.241 15.691 -3.245 1.00 0.00 N ATOM 682 CA TYR A 404 0.072 15.045 -3.312 1.00 0.00 C ATOM 683 C TYR A 404 0.493 14.601 -1.921 1.00 0.00 C ATOM 684 O TYR A 404 0.276 15.316 -0.947 1.00 0.00 O ATOM 685 CB TYR A 404 1.112 16.018 -3.896 1.00 0.00 C ATOM 686 CG TYR A 404 2.441 15.376 -4.221 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.616 14.616 -5.366 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.532 15.536 -3.368 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.826 14.035 -5.669 1.00 0.00 C ATOM 690 CE2 TYR A 404 4.750 14.957 -3.650 1.00 0.00 C ATOM 691 CZ TYR A 404 4.894 14.207 -4.815 1.00 0.00 C ATOM 692 OH TYR A 404 6.119 13.641 -5.122 1.00 0.00 O ATOM 0 H TYR A 404 -1.216 16.711 -3.241 1.00 0.00 H new ATOM 0 HA TYR A 404 0.009 14.172 -3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.706 16.467 -4.803 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.276 16.828 -3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.782 14.476 -6.038 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.420 16.125 -2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 404 3.938 13.449 -6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.584 15.083 -2.975 1.00 0.00 H new ATOM 0 HH TYR A 404 6.765 13.858 -4.418 1.00 0.00 H new ATOM 702 N GLY A 405 1.104 13.417 -1.833 1.00 0.00 N ATOM 703 CA GLY A 405 1.558 12.918 -0.539 1.00 0.00 C ATOM 704 C GLY A 405 2.455 11.703 -0.666 1.00 0.00 C ATOM 705 O GLY A 405 2.549 10.898 0.267 1.00 0.00 O ATOM 0 H GLY A 405 1.291 12.801 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 405 2.096 13.709 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 405 0.692 12.664 0.073 1.00 0.00 H new ATOM 709 N GLY A 406 3.123 11.569 -1.813 1.00 0.00 N ATOM 710 CA GLY A 406 3.988 10.432 -2.037 1.00 0.00 C ATOM 711 C GLY A 406 3.268 9.116 -1.782 1.00 0.00 C ATOM 712 O GLY A 406 3.826 8.206 -1.175 1.00 0.00 O ATOM 0 H GLY A 406 3.077 12.231 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 406 4.357 10.452 -3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 406 4.858 10.503 -1.384 1.00 0.00 H new ATOM 716 N VAL A 407 2.046 9.015 -2.273 1.00 0.00 N ATOM 717 CA VAL A 407 1.212 7.818 -2.072 1.00 0.00 C ATOM 718 C VAL A 407 1.710 6.683 -2.971 1.00 0.00 C ATOM 719 O VAL A 407 1.298 5.528 -2.833 1.00 0.00 O ATOM 720 CB VAL A 407 -0.280 8.095 -2.375 1.00 0.00 C ATOM 721 CG1 VAL A 407 -0.799 9.277 -1.512 1.00 0.00 C ATOM 722 CG2 VAL A 407 -0.517 8.358 -3.853 1.00 0.00 C ATOM 0 H VAL A 407 1.596 9.749 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 407 1.295 7.532 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 407 -0.842 7.199 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -1.850 9.458 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -0.692 9.031 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -0.220 10.173 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -1.577 8.548 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 407 0.062 9.227 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -0.207 7.488 -4.432 1.00 0.00 H new ATOM 732 N GLN A 408 2.602 7.030 -3.887 1.00 0.00 N ATOM 733 CA GLN A 408 3.244 6.068 -4.736 1.00 0.00 C ATOM 734 C GLN A 408 4.752 6.177 -4.550 1.00 0.00 C ATOM 735 O GLN A 408 5.288 7.302 -4.491 1.00 0.00 O ATOM 736 CB GLN A 408 2.905 6.321 -6.224 1.00 0.00 C ATOM 737 CG GLN A 408 3.483 5.287 -7.150 1.00 0.00 C ATOM 738 CD GLN A 408 3.154 5.556 -8.616 1.00 0.00 C ATOM 739 OE1 GLN A 408 3.026 4.636 -9.427 1.00 0.00 O ATOM 740 NE2 GLN A 408 3.069 6.828 -8.991 1.00 0.00 N ATOM 0 H GLN A 408 2.894 7.993 -4.054 1.00 0.00 H new ATOM 0 HA GLN A 408 2.889 5.074 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 408 1.822 6.341 -6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 408 3.276 7.305 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 408 4.565 5.258 -7.025 1.00 0.00 H new ATOM 0 HG3 GLN A 408 3.103 4.304 -6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 408 3.178 7.571 -8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 408 2.894 7.061 -9.969 1.00 0.00 H new ATOM 749 N ILE A 409 5.434 5.052 -4.453 1.00 0.00 N ATOM 750 CA ILE A 409 6.877 5.038 -4.347 1.00 0.00 C ATOM 751 C ILE A 409 7.512 5.793 -5.517 1.00 0.00 C ATOM 752 O ILE A 409 8.373 6.642 -5.333 1.00 0.00 O ATOM 753 CB ILE A 409 7.474 3.594 -4.295 1.00 0.00 C ATOM 754 CG1 ILE A 409 6.840 2.710 -5.395 1.00 0.00 C ATOM 755 CG2 ILE A 409 7.233 2.976 -2.920 1.00 0.00 C ATOM 756 CD1 ILE A 409 7.473 1.334 -5.519 1.00 0.00 C ATOM 0 H ILE A 409 5.004 4.127 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 409 7.112 5.531 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 409 8.548 3.653 -4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 409 5.777 2.593 -5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 409 6.921 3.224 -6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 409 7.653 1.970 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 409 7.712 3.589 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 409 6.162 2.927 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 409 6.975 0.774 -6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 409 8.531 1.440 -5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 409 7.368 0.799 -4.575 1.00 0.00 H new ATOM 768 N VAL A 410 7.042 5.475 -6.723 1.00 0.00 N ATOM 769 CA VAL A 410 7.528 6.147 -7.906 1.00 0.00 C ATOM 770 C VAL A 410 7.029 7.591 -7.925 1.00 0.00 C ATOM 771 O VAL A 410 5.817 7.823 -8.014 1.00 0.00 O ATOM 772 CB VAL A 410 7.080 5.409 -9.208 1.00 0.00 C ATOM 773 CG1 VAL A 410 7.806 5.948 -10.426 1.00 0.00 C ATOM 774 CG2 VAL A 410 7.264 3.909 -9.075 1.00 0.00 C ATOM 0 H VAL A 410 6.333 4.763 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 410 8.618 6.138 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 410 6.017 5.602 -9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 410 7.472 5.413 -11.315 1.00 0.00 H new ATOM 0 HG12 VAL A 410 7.589 7.010 -10.538 1.00 0.00 H new ATOM 0 HG13 VAL A 410 8.880 5.808 -10.301 1.00 0.00 H new ATOM 0 HG21 VAL A 410 6.944 3.420 -9.995 1.00 0.00 H new ATOM 0 HG22 VAL A 410 8.315 3.686 -8.892 1.00 0.00 H new ATOM 0 HG23 VAL A 410 6.665 3.541 -8.242 1.00 0.00 H new ATOM 784 N GLY A 411 7.963 8.542 -7.805 1.00 0.00 N ATOM 785 CA GLY A 411 7.600 9.933 -7.680 1.00 0.00 C ATOM 786 C GLY A 411 8.316 10.596 -6.524 1.00 0.00 C ATOM 787 O GLY A 411 8.795 11.742 -6.619 1.00 0.00 O ATOM 0 H GLY A 411 8.967 8.362 -7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 411 7.840 10.456 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 411 6.523 10.017 -7.537 1.00 0.00 H new ATOM 791 N GLN A 412 8.417 9.860 -5.416 1.00 0.00 N ATOM 792 CA GLN A 412 9.106 10.321 -4.221 1.00 0.00 C ATOM 793 C GLN A 412 10.432 9.562 -4.030 1.00 0.00 C ATOM 794 O GLN A 412 11.469 10.172 -3.762 1.00 0.00 O ATOM 795 CB GLN A 412 8.188 10.168 -2.986 1.00 0.00 C ATOM 796 CG GLN A 412 7.662 8.741 -2.756 1.00 0.00 C ATOM 797 CD GLN A 412 8.262 8.042 -1.547 1.00 0.00 C ATOM 798 OE1 GLN A 412 7.624 7.193 -0.926 1.00 0.00 O ATOM 799 NE2 GLN A 412 9.487 8.393 -1.202 1.00 0.00 N ATOM 0 H GLN A 412 8.020 8.925 -5.327 1.00 0.00 H new ATOM 0 HA GLN A 412 9.346 11.378 -4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 412 8.736 10.487 -2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 412 7.338 10.842 -3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 412 6.579 8.780 -2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 412 7.865 8.144 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 412 9.986 9.101 -1.741 1.00 0.00 H new ATOM 0 HE22 GLN A 412 9.935 7.956 -0.396 1.00 0.00 H new ATOM 808 N ASP A 413 10.389 8.242 -4.225 1.00 0.00 N ATOM 809 CA ASP A 413 11.577 7.393 -4.187 1.00 0.00 C ATOM 810 C ASP A 413 11.241 6.007 -4.738 1.00 0.00 C ATOM 811 O ASP A 413 10.343 5.342 -4.218 1.00 0.00 O ATOM 812 CB ASP A 413 12.143 7.273 -2.785 1.00 0.00 C ATOM 813 CG ASP A 413 13.365 6.380 -2.737 1.00 0.00 C ATOM 814 OD1 ASP A 413 14.485 6.874 -3.016 1.00 0.00 O ATOM 815 OD2 ASP A 413 13.228 5.179 -2.453 1.00 0.00 O ATOM 0 H ASP A 413 9.526 7.733 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 413 12.340 7.861 -4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 413 12.404 8.264 -2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 413 11.378 6.875 -2.119 1.00 0.00 H new ATOM 820 N GLU A 414 11.985 5.563 -5.735 1.00 0.00 N ATOM 821 CA GLU A 414 11.652 4.358 -6.491 1.00 0.00 C ATOM 822 C GLU A 414 12.483 3.164 -6.053 1.00 0.00 C ATOM 823 O GLU A 414 12.322 2.056 -6.579 1.00 0.00 O ATOM 824 CB GLU A 414 11.876 4.627 -7.985 1.00 0.00 C ATOM 825 CG GLU A 414 11.205 5.885 -8.512 1.00 0.00 C ATOM 826 CD GLU A 414 11.747 6.315 -9.867 1.00 0.00 C ATOM 827 OE1 GLU A 414 12.761 7.055 -9.889 1.00 0.00 O ATOM 828 OE2 GLU A 414 11.169 5.934 -10.905 1.00 0.00 O ATOM 0 H GLU A 414 12.839 6.025 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 414 10.607 4.115 -6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 414 12.948 4.698 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 414 11.510 3.772 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 414 10.132 5.713 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 414 11.345 6.694 -7.795 1.00 0.00 H new ATOM 835 N THR A 415 13.360 3.365 -5.084 1.00 0.00 N ATOM 836 CA THR A 415 14.334 2.340 -4.736 1.00 0.00 C ATOM 837 C THR A 415 14.420 2.140 -3.226 1.00 0.00 C ATOM 838 O THR A 415 13.865 1.179 -2.676 1.00 0.00 O ATOM 839 CB THR A 415 15.735 2.721 -5.295 1.00 0.00 C ATOM 840 OG1 THR A 415 16.101 4.030 -4.846 1.00 0.00 O ATOM 841 CG2 THR A 415 15.773 2.686 -6.823 1.00 0.00 C ATOM 0 H THR A 415 13.419 4.218 -4.528 1.00 0.00 H new ATOM 0 HA THR A 415 14.004 1.403 -5.185 1.00 0.00 H new ATOM 0 HB THR A 415 16.444 1.982 -4.922 1.00 0.00 H new ATOM 0 HG1 THR A 415 16.985 4.262 -5.200 1.00 0.00 H new ATOM 0 HG21 THR A 415 16.770 2.959 -7.169 1.00 0.00 H new ATOM 0 HG22 THR A 415 15.531 1.682 -7.170 1.00 0.00 H new ATOM 0 HG23 THR A 415 15.045 3.393 -7.221 1.00 0.00 H new ATOM 849 N ASP A 416 15.106 3.074 -2.570 1.00 0.00 N ATOM 850 CA ASP A 416 15.435 3.000 -1.151 1.00 0.00 C ATOM 851 C ASP A 416 16.275 4.223 -0.813 1.00 0.00 C ATOM 852 O ASP A 416 16.063 4.879 0.219 1.00 0.00 O ATOM 853 CB ASP A 416 16.219 1.712 -0.845 1.00 0.00 C ATOM 854 CG ASP A 416 16.642 1.595 0.624 1.00 0.00 C ATOM 855 OD1 ASP A 416 15.762 1.285 1.461 1.00 0.00 O ATOM 856 OD2 ASP A 416 17.833 1.777 0.919 1.00 0.00 O ATOM 0 H ASP A 416 15.455 3.920 -3.021 1.00 0.00 H new ATOM 0 HA ASP A 416 14.525 2.981 -0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 416 15.606 0.850 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 416 17.107 1.677 -1.476 1.00 0.00 H new ATOM 861 N ASP A 417 17.203 4.514 -1.707 1.00 0.00 N ATOM 862 CA ASP A 417 18.098 5.668 -1.612 1.00 0.00 C ATOM 863 C ASP A 417 19.119 5.626 -2.759 1.00 0.00 C ATOM 864 O ASP A 417 19.615 6.662 -3.215 1.00 0.00 O ATOM 865 CB ASP A 417 18.833 5.694 -0.267 1.00 0.00 C ATOM 866 CG ASP A 417 19.889 6.802 -0.178 1.00 0.00 C ATOM 867 OD1 ASP A 417 19.537 7.984 -0.332 1.00 0.00 O ATOM 868 OD2 ASP A 417 21.071 6.478 0.080 1.00 0.00 O ATOM 0 H ASP A 417 17.364 3.947 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 417 17.495 6.573 -1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 417 18.106 5.828 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 417 19.313 4.729 -0.104 1.00 0.00 H new ATOM 873 N ARG A 418 19.398 4.407 -3.209 1.00 0.00 N ATOM 874 CA ARG A 418 20.421 4.138 -4.200 1.00 0.00 C ATOM 875 C ARG A 418 19.914 3.106 -5.207 1.00 0.00 C ATOM 876 O ARG A 418 18.903 2.450 -4.948 1.00 0.00 O ATOM 877 CB ARG A 418 21.655 3.619 -3.453 1.00 0.00 C ATOM 878 CG ARG A 418 21.285 2.520 -2.481 1.00 0.00 C ATOM 879 CD ARG A 418 22.418 2.177 -1.537 1.00 0.00 C ATOM 880 NE ARG A 418 21.952 1.319 -0.459 1.00 0.00 N ATOM 881 CZ ARG A 418 22.683 0.999 0.615 1.00 0.00 C ATOM 882 NH1 ARG A 418 23.878 1.531 0.793 1.00 0.00 N ATOM 883 NH2 ARG A 418 22.197 0.166 1.525 1.00 0.00 N ATOM 0 H ARG A 418 18.911 3.570 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 418 20.674 5.040 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 418 22.386 3.243 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 418 22.129 4.440 -2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 418 20.415 2.829 -1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 418 20.997 1.628 -3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 418 23.216 1.677 -2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 418 22.841 3.092 -1.122 1.00 0.00 H new ATOM 0 HE ARG A 418 21.009 0.937 -0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 418 24.250 2.191 0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 418 24.430 1.282 1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 418 21.265 -0.231 1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 418 22.755 -0.077 2.343 1.00 0.00 H new ATOM 897 N PRO A 419 20.611 2.959 -6.353 1.00 0.00 N ATOM 898 CA PRO A 419 20.233 1.950 -7.349 1.00 0.00 C ATOM 899 C PRO A 419 20.650 0.550 -6.895 1.00 0.00 C ATOM 900 O PRO A 419 21.457 0.398 -5.961 1.00 0.00 O ATOM 901 CB PRO A 419 21.023 2.377 -8.594 1.00 0.00 C ATOM 902 CG PRO A 419 22.224 3.088 -8.052 1.00 0.00 C ATOM 903 CD PRO A 419 21.783 3.752 -6.768 1.00 0.00 C ATOM 0 HA PRO A 419 19.158 1.898 -7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 419 21.311 1.515 -9.196 1.00 0.00 H new ATOM 0 HB3 PRO A 419 20.431 3.030 -9.235 1.00 0.00 H new ATOM 0 HG2 PRO A 419 23.039 2.388 -7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 419 22.593 3.826 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 419 22.570 3.729 -6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 419 21.523 4.799 -6.926 1.00 0.00 H new ATOM 911 N GLU A 420 20.067 -0.475 -7.508 1.00 0.00 N ATOM 912 CA GLU A 420 20.401 -1.861 -7.177 1.00 0.00 C ATOM 913 C GLU A 420 21.752 -2.208 -7.761 1.00 0.00 C ATOM 914 O GLU A 420 22.239 -1.565 -8.693 1.00 0.00 O ATOM 915 CB GLU A 420 19.321 -2.819 -7.699 1.00 0.00 C ATOM 916 CG GLU A 420 17.994 -2.690 -6.969 1.00 0.00 C ATOM 917 CD GLU A 420 16.932 -3.605 -7.520 1.00 0.00 C ATOM 918 OE1 GLU A 420 16.831 -4.763 -7.073 1.00 0.00 O ATOM 919 OE2 GLU A 420 16.179 -3.163 -8.421 1.00 0.00 O ATOM 0 H GLU A 420 19.361 -0.375 -8.237 1.00 0.00 H new ATOM 0 HA GLU A 420 20.445 -1.967 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 420 19.162 -2.632 -8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 420 19.680 -3.844 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 420 18.143 -2.910 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 420 17.648 -1.659 -7.034 1.00 0.00 H new ATOM 926 N CYS A 421 22.380 -3.238 -7.184 1.00 0.00 N ATOM 927 CA CYS A 421 23.642 -3.739 -7.701 1.00 0.00 C ATOM 928 C CYS A 421 23.405 -4.335 -9.082 1.00 0.00 C ATOM 929 O CYS A 421 22.421 -5.041 -9.298 1.00 0.00 O ATOM 930 CB CYS A 421 24.194 -4.798 -6.741 1.00 0.00 C ATOM 931 SG CYS A 421 25.988 -5.120 -6.912 1.00 0.00 S ATOM 0 H CYS A 421 22.031 -3.734 -6.364 1.00 0.00 H new ATOM 0 HA CYS A 421 24.369 -2.931 -7.784 1.00 0.00 H new ATOM 0 HB2 CYS A 421 23.991 -4.483 -5.718 1.00 0.00 H new ATOM 0 HB3 CYS A 421 23.654 -5.731 -6.901 1.00 0.00 H new ATOM 936 N PRO A 422 24.299 -4.055 -10.056 1.00 0.00 N ATOM 937 CA PRO A 422 24.111 -4.545 -11.426 1.00 0.00 C ATOM 938 C PRO A 422 24.059 -6.074 -11.507 1.00 0.00 C ATOM 939 O PRO A 422 23.624 -6.644 -12.510 1.00 0.00 O ATOM 940 CB PRO A 422 25.346 -3.992 -12.178 1.00 0.00 C ATOM 941 CG PRO A 422 26.335 -3.676 -11.117 1.00 0.00 C ATOM 942 CD PRO A 422 25.539 -3.287 -9.907 1.00 0.00 C ATOM 0 HA PRO A 422 23.160 -4.218 -11.847 1.00 0.00 H new ATOM 0 HB2 PRO A 422 25.742 -4.726 -12.880 1.00 0.00 H new ATOM 0 HB3 PRO A 422 25.091 -3.104 -12.756 1.00 0.00 H new ATOM 0 HG2 PRO A 422 26.968 -4.538 -10.906 1.00 0.00 H new ATOM 0 HG3 PRO A 422 26.993 -2.865 -11.427 1.00 0.00 H new ATOM 0 HD2 PRO A 422 26.061 -3.541 -8.984 1.00 0.00 H new ATOM 0 HD3 PRO A 422 25.347 -2.214 -9.880 1.00 0.00 H new ATOM 950 N TYR A 423 24.530 -6.732 -10.442 1.00 0.00 N ATOM 951 CA TYR A 423 24.532 -8.191 -10.366 1.00 0.00 C ATOM 952 C TYR A 423 23.606 -8.680 -9.248 1.00 0.00 C ATOM 953 O TYR A 423 23.669 -9.835 -8.826 1.00 0.00 O ATOM 954 CB TYR A 423 25.962 -8.700 -10.131 1.00 0.00 C ATOM 955 CG TYR A 423 26.956 -8.235 -11.185 1.00 0.00 C ATOM 956 CD1 TYR A 423 27.141 -8.963 -12.369 1.00 0.00 C ATOM 957 CD2 TYR A 423 27.713 -7.097 -11.014 1.00 0.00 C ATOM 958 CE1 TYR A 423 28.035 -8.537 -13.324 1.00 0.00 C ATOM 959 CE2 TYR A 423 28.610 -6.670 -11.968 1.00 0.00 C ATOM 960 CZ TYR A 423 28.761 -7.391 -13.133 1.00 0.00 C ATOM 961 OH TYR A 423 29.647 -6.962 -14.089 1.00 0.00 O ATOM 0 H TYR A 423 24.916 -6.271 -9.618 1.00 0.00 H new ATOM 0 HA TYR A 423 24.162 -8.587 -11.312 1.00 0.00 H new ATOM 0 HB2 TYR A 423 26.301 -8.365 -9.151 1.00 0.00 H new ATOM 0 HB3 TYR A 423 25.952 -9.790 -10.109 1.00 0.00 H new ATOM 0 HD1 TYR A 423 26.575 -9.868 -12.533 1.00 0.00 H new ATOM 0 HD2 TYR A 423 27.600 -6.523 -10.106 1.00 0.00 H new ATOM 0 HE1 TYR A 423 28.165 -9.110 -14.230 1.00 0.00 H new ATOM 0 HE2 TYR A 423 29.192 -5.775 -11.804 1.00 0.00 H new ATOM 0 HH TYR A 423 30.075 -6.133 -13.790 1.00 0.00 H new ATOM 971 N GLY A 424 22.740 -7.777 -8.780 1.00 0.00 N ATOM 972 CA GLY A 424 21.786 -8.101 -7.734 1.00 0.00 C ATOM 973 C GLY A 424 22.447 -8.601 -6.463 1.00 0.00 C ATOM 974 O GLY A 424 23.588 -8.246 -6.194 1.00 0.00 O ATOM 0 H GLY A 424 22.686 -6.815 -9.115 1.00 0.00 H new ATOM 0 HA2 GLY A 424 21.192 -7.216 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 424 21.096 -8.861 -8.101 1.00 0.00 H new ATOM 978 N PRO A 425 21.757 -9.439 -5.671 1.00 0.00 N ATOM 979 CA PRO A 425 22.350 -10.032 -4.454 1.00 0.00 C ATOM 980 C PRO A 425 23.424 -11.072 -4.800 1.00 0.00 C ATOM 981 O PRO A 425 24.230 -11.453 -3.957 1.00 0.00 O ATOM 982 CB PRO A 425 21.149 -10.685 -3.758 1.00 0.00 C ATOM 983 CG PRO A 425 20.193 -10.974 -4.863 1.00 0.00 C ATOM 984 CD PRO A 425 20.350 -9.839 -5.843 1.00 0.00 C ATOM 0 HA PRO A 425 22.857 -9.296 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 425 21.440 -11.596 -3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 425 20.709 -10.019 -3.016 1.00 0.00 H new ATOM 0 HG2 PRO A 425 20.416 -11.932 -5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 425 19.170 -11.032 -4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 425 20.144 -10.158 -6.865 1.00 0.00 H new ATOM 0 HD3 PRO A 425 19.668 -9.018 -5.621 1.00 0.00 H new ATOM 992 N SER A 426 23.437 -11.497 -6.069 1.00 0.00 N ATOM 993 CA SER A 426 24.420 -12.465 -6.567 1.00 0.00 C ATOM 994 C SER A 426 25.728 -11.749 -6.913 1.00 0.00 C ATOM 995 O SER A 426 26.686 -12.370 -7.372 1.00 0.00 O ATOM 996 CB SER A 426 23.857 -13.194 -7.802 1.00 0.00 C ATOM 997 OG SER A 426 24.695 -14.268 -8.185 1.00 0.00 O ATOM 0 H SER A 426 22.771 -11.182 -6.775 1.00 0.00 H new ATOM 0 HA SER A 426 24.624 -13.203 -5.791 1.00 0.00 H new ATOM 0 HB2 SER A 426 22.857 -13.569 -7.583 1.00 0.00 H new ATOM 0 HB3 SER A 426 23.759 -12.492 -8.630 1.00 0.00 H new ATOM 0 HG SER A 426 25.625 -14.053 -7.963 1.00 0.00 H new ATOM 1003 N CYS A 427 25.738 -10.440 -6.660 1.00 0.00 N ATOM 1004 CA CYS A 427 26.883 -9.586 -6.906 1.00 0.00 C ATOM 1005 C CYS A 427 28.101 -10.039 -6.096 1.00 0.00 C ATOM 1006 O CYS A 427 28.032 -10.169 -4.863 1.00 0.00 O ATOM 1007 CB CYS A 427 26.521 -8.138 -6.548 1.00 0.00 C ATOM 1008 SG CYS A 427 27.848 -6.918 -6.778 1.00 0.00 S ATOM 0 H CYS A 427 24.936 -9.943 -6.273 1.00 0.00 H new ATOM 0 HA CYS A 427 27.144 -9.652 -7.962 1.00 0.00 H new ATOM 0 HB2 CYS A 427 25.665 -7.836 -7.152 1.00 0.00 H new ATOM 0 HB3 CYS A 427 26.202 -8.109 -5.506 1.00 0.00 H new ATOM 0 HG CYS A 427 27.441 -5.752 -6.371 1.00 0.00 H new ATOM 1013 N TYR A 428 29.201 -10.296 -6.791 1.00 0.00 N ATOM 1014 CA TYR A 428 30.454 -10.707 -6.160 1.00 0.00 C ATOM 1015 C TYR A 428 31.559 -9.728 -6.508 1.00 0.00 C ATOM 1016 O TYR A 428 32.503 -10.050 -7.243 1.00 0.00 O ATOM 1017 CB TYR A 428 30.791 -12.152 -6.573 1.00 0.00 C ATOM 1018 CG TYR A 428 30.734 -12.411 -8.080 1.00 0.00 C ATOM 1019 CD1 TYR A 428 29.501 -12.624 -8.706 1.00 0.00 C ATOM 1020 CD2 TYR A 428 31.878 -12.456 -8.866 1.00 0.00 C ATOM 1021 CE1 TYR A 428 29.424 -12.858 -10.054 1.00 0.00 C ATOM 1022 CE2 TYR A 428 31.813 -12.696 -10.214 1.00 0.00 C ATOM 1023 CZ TYR A 428 30.575 -12.893 -10.814 1.00 0.00 C ATOM 1024 OH TYR A 428 30.498 -13.129 -12.166 1.00 0.00 O ATOM 0 H TYR A 428 29.253 -10.226 -7.807 1.00 0.00 H new ATOM 0 HA TYR A 428 30.349 -10.693 -5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 428 31.791 -12.396 -6.213 1.00 0.00 H new ATOM 0 HB3 TYR A 428 30.098 -12.830 -6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 428 28.596 -12.604 -8.118 1.00 0.00 H new ATOM 0 HD2 TYR A 428 32.842 -12.298 -8.404 1.00 0.00 H new ATOM 0 HE1 TYR A 428 28.463 -13.015 -10.521 1.00 0.00 H new ATOM 0 HE2 TYR A 428 32.716 -12.732 -10.805 1.00 0.00 H new ATOM 0 HH TYR A 428 31.399 -13.120 -12.552 1.00 0.00 H new ATOM 1034 N ARG A 429 31.428 -8.502 -6.020 1.00 0.00 N ATOM 1035 CA ARG A 429 32.412 -7.445 -6.254 1.00 0.00 C ATOM 1036 C ARG A 429 33.164 -7.165 -4.958 1.00 0.00 C ATOM 1037 O ARG A 429 32.600 -6.609 -4.009 1.00 0.00 O ATOM 1038 CB ARG A 429 31.714 -6.171 -6.754 1.00 0.00 C ATOM 1039 CG ARG A 429 30.937 -6.339 -8.059 1.00 0.00 C ATOM 1040 CD ARG A 429 31.833 -6.628 -9.258 1.00 0.00 C ATOM 1041 NE ARG A 429 32.377 -7.988 -9.217 1.00 0.00 N ATOM 1042 CZ ARG A 429 32.936 -8.606 -10.258 1.00 0.00 C ATOM 1043 NH1 ARG A 429 33.100 -7.969 -11.407 1.00 0.00 N ATOM 1044 NH2 ARG A 429 33.349 -9.852 -10.135 1.00 0.00 N ATOM 0 H ARG A 429 30.636 -8.208 -5.449 1.00 0.00 H new ATOM 0 HA ARG A 429 33.119 -7.769 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 429 31.029 -5.821 -5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 429 32.464 -5.392 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 429 30.220 -7.152 -7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 429 30.363 -5.432 -8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 429 31.264 -6.492 -10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 429 32.652 -5.910 -9.281 1.00 0.00 H new ATOM 0 HE ARG A 429 32.325 -8.496 -8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 429 32.798 -6.999 -11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 429 33.528 -8.448 -12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 429 33.240 -10.340 -9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 429 33.777 -10.328 -10.929 1.00 0.00 H new ATOM 1058 N LYS A 430 34.419 -7.553 -4.894 1.00 0.00 N ATOM 1059 CA LYS A 430 35.226 -7.406 -3.685 1.00 0.00 C ATOM 1060 C LYS A 430 35.543 -5.936 -3.422 1.00 0.00 C ATOM 1061 O LYS A 430 36.614 -5.445 -3.805 1.00 0.00 O ATOM 1062 CB LYS A 430 36.515 -8.234 -3.785 1.00 0.00 C ATOM 1063 CG LYS A 430 37.315 -8.302 -2.477 1.00 0.00 C ATOM 1064 CD LYS A 430 38.575 -9.165 -2.605 1.00 0.00 C ATOM 1065 CE LYS A 430 38.278 -10.631 -2.868 1.00 0.00 C ATOM 1066 NZ LYS A 430 37.790 -10.887 -4.247 1.00 0.00 N ATOM 0 H LYS A 430 34.916 -7.981 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 430 34.647 -7.784 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 430 36.261 -9.247 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 430 37.148 -7.810 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 430 37.598 -7.294 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 430 36.681 -8.705 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 430 39.192 -8.776 -3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 430 39.160 -9.079 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 430 39.181 -11.216 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 430 37.531 -10.978 -2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 36.760 -11.032 -4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 38.014 -10.071 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 38.253 -11.737 -4.627 1.00 0.00 H new ATOM 1080 N ASN A 431 34.608 -5.225 -2.814 1.00 0.00 N ATOM 1081 CA ASN A 431 34.788 -3.831 -2.445 1.00 0.00 C ATOM 1082 C ASN A 431 33.689 -3.394 -1.476 1.00 0.00 C ATOM 1083 O ASN A 431 32.500 -3.510 -1.796 1.00 0.00 O ATOM 1084 CB ASN A 431 34.767 -2.912 -3.670 1.00 0.00 C ATOM 1085 CG ASN A 431 35.124 -1.470 -3.342 1.00 0.00 C ATOM 1086 OD1 ASN A 431 36.054 -1.218 -2.584 1.00 0.00 O ATOM 1087 ND2 ASN A 431 34.363 -0.527 -3.861 1.00 0.00 N ATOM 0 H ASN A 431 33.695 -5.602 -2.561 1.00 0.00 H new ATOM 0 HA ASN A 431 35.764 -3.747 -1.966 1.00 0.00 H new ATOM 0 HB2 ASN A 431 35.467 -3.293 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 431 33.775 -2.941 -4.121 1.00 0.00 H new ATOM 0 HD21 ASN A 431 34.539 0.452 -3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 431 33.598 -0.776 -4.488 1.00 0.00 H new ATOM 1094 N PRO A 432 34.054 -2.881 -0.296 1.00 0.00 N ATOM 1095 CA PRO A 432 33.075 -2.452 0.700 1.00 0.00 C ATOM 1096 C PRO A 432 32.292 -1.217 0.250 1.00 0.00 C ATOM 1097 O PRO A 432 31.100 -1.078 0.534 1.00 0.00 O ATOM 1098 CB PRO A 432 33.934 -2.133 1.924 1.00 0.00 C ATOM 1099 CG PRO A 432 35.302 -1.822 1.381 1.00 0.00 C ATOM 1100 CD PRO A 432 35.443 -2.676 0.158 1.00 0.00 C ATOM 0 HA PRO A 432 32.316 -3.213 0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 432 33.529 -1.286 2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 432 33.967 -2.978 2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 432 35.397 -0.764 1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 432 36.077 -2.051 2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 432 36.044 -2.183 -0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 432 35.932 -3.623 0.387 1.00 0.00 H new ATOM 1108 N GLN A 433 32.940 -0.342 -0.515 1.00 0.00 N ATOM 1109 CA GLN A 433 32.300 0.881 -0.985 1.00 0.00 C ATOM 1110 C GLN A 433 31.218 0.541 -1.998 1.00 0.00 C ATOM 1111 O GLN A 433 30.162 1.167 -2.022 1.00 0.00 O ATOM 1112 CB GLN A 433 33.344 1.836 -1.607 1.00 0.00 C ATOM 1113 CG GLN A 433 32.771 3.170 -2.094 1.00 0.00 C ATOM 1114 CD GLN A 433 32.066 3.962 -1.010 1.00 0.00 C ATOM 1115 OE1 GLN A 433 32.682 4.764 -0.298 1.00 0.00 O ATOM 1116 NE2 GLN A 433 30.765 3.750 -0.868 1.00 0.00 N ATOM 0 H GLN A 433 33.906 -0.458 -0.821 1.00 0.00 H new ATOM 0 HA GLN A 433 31.841 1.387 -0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 433 34.121 2.036 -0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 433 33.824 1.333 -2.446 1.00 0.00 H new ATOM 0 HG2 GLN A 433 33.580 3.774 -2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 433 32.070 2.979 -2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 433 30.288 3.081 -1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 433 30.241 4.256 -0.154 1.00 0.00 H new ATOM 1125 N HIS A 434 31.476 -0.487 -2.819 1.00 0.00 N ATOM 1126 CA HIS A 434 30.490 -0.965 -3.782 1.00 0.00 C ATOM 1127 C HIS A 434 29.169 -1.279 -3.086 1.00 0.00 C ATOM 1128 O HIS A 434 28.106 -0.755 -3.432 1.00 0.00 O ATOM 1129 CB HIS A 434 31.012 -2.217 -4.498 1.00 0.00 C ATOM 1130 CG HIS A 434 29.935 -3.007 -5.160 1.00 0.00 C ATOM 1131 ND1 HIS A 434 29.265 -2.602 -6.293 1.00 0.00 N ATOM 1132 CD2 HIS A 434 29.358 -4.183 -4.802 1.00 0.00 C ATOM 1133 CE1 HIS A 434 28.341 -3.496 -6.571 1.00 0.00 C ATOM 1134 NE2 HIS A 434 28.339 -4.492 -5.696 1.00 0.00 N ATOM 0 H HIS A 434 32.359 -0.998 -2.831 1.00 0.00 H new ATOM 0 HA HIS A 434 30.320 -0.179 -4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 434 31.748 -1.920 -5.246 1.00 0.00 H new ATOM 0 HB3 HIS A 434 31.528 -2.851 -3.777 1.00 0.00 H new ATOM 0 HD1 HIS A 434 29.453 -1.753 -6.826 1.00 0.00 H new ATOM 0 HD2 HIS A 434 29.646 -4.786 -3.953 1.00 0.00 H new ATOM 0 HE1 HIS A 434 27.665 -3.427 -7.411 1.00 0.00 H new ATOM 1142 N LYS A 435 29.269 -2.153 -2.088 1.00 0.00 N ATOM 1143 CA LYS A 435 28.137 -2.583 -1.278 1.00 0.00 C ATOM 1144 C LYS A 435 27.467 -1.424 -0.533 1.00 0.00 C ATOM 1145 O LYS A 435 26.348 -1.544 -0.042 1.00 0.00 O ATOM 1146 CB LYS A 435 28.628 -3.650 -0.293 1.00 0.00 C ATOM 1147 CG LYS A 435 29.268 -4.860 -0.999 1.00 0.00 C ATOM 1148 CD LYS A 435 30.157 -5.663 -0.048 1.00 0.00 C ATOM 1149 CE LYS A 435 29.361 -6.360 1.054 1.00 0.00 C ATOM 1150 NZ LYS A 435 28.474 -7.414 0.515 1.00 0.00 N ATOM 0 H LYS A 435 30.151 -2.587 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 435 27.375 -2.994 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 435 29.355 -3.205 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 435 27.790 -3.991 0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 435 28.485 -5.505 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 435 29.860 -4.516 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 435 30.711 -6.409 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 435 30.892 -4.998 0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 435 30.049 -6.800 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 435 28.764 -5.623 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 28.095 -7.983 1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 27.688 -6.974 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 29.014 -8.027 -0.129 1.00 0.00 H new ATOM 1164 N ILE A 436 28.178 -0.297 -0.442 1.00 0.00 N ATOM 1165 CA ILE A 436 27.640 0.897 0.187 1.00 0.00 C ATOM 1166 C ILE A 436 26.868 1.759 -0.817 1.00 0.00 C ATOM 1167 O ILE A 436 25.925 2.465 -0.440 1.00 0.00 O ATOM 1168 CB ILE A 436 28.796 1.715 0.830 1.00 0.00 C ATOM 1169 CG1 ILE A 436 29.423 0.968 2.017 1.00 0.00 C ATOM 1170 CG2 ILE A 436 28.318 3.103 1.276 1.00 0.00 C ATOM 1171 CD1 ILE A 436 30.543 1.694 2.714 1.00 0.00 C ATOM 0 H ILE A 436 29.128 -0.193 -0.798 1.00 0.00 H new ATOM 0 HA ILE A 436 26.939 0.590 0.963 1.00 0.00 H new ATOM 0 HB ILE A 436 29.560 1.842 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 436 28.641 0.755 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 436 29.799 0.008 1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 436 29.150 3.649 1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 436 27.943 3.653 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 436 27.521 2.994 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 436 30.917 1.083 3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 436 31.350 1.883 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 436 30.174 2.642 3.105 1.00 0.00 H new ATOM 1183 N GLU A 437 27.254 1.691 -2.079 1.00 0.00 N ATOM 1184 CA GLU A 437 26.663 2.538 -3.115 1.00 0.00 C ATOM 1185 C GLU A 437 25.449 1.846 -3.758 1.00 0.00 C ATOM 1186 O GLU A 437 24.497 2.509 -4.163 1.00 0.00 O ATOM 1187 CB GLU A 437 27.686 2.899 -4.191 1.00 0.00 C ATOM 1188 CG GLU A 437 28.988 3.417 -3.620 1.00 0.00 C ATOM 1189 CD GLU A 437 29.961 3.862 -4.712 1.00 0.00 C ATOM 1190 OE1 GLU A 437 30.576 2.993 -5.356 1.00 0.00 O ATOM 1191 OE2 GLU A 437 30.129 5.084 -4.905 1.00 0.00 O ATOM 0 H GLU A 437 27.977 1.057 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 437 26.333 3.459 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 437 27.888 2.019 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 437 27.259 3.654 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 437 28.783 4.256 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 437 29.454 2.638 -3.016 1.00 0.00 H new ATOM 1198 N TYR A 438 25.507 0.525 -3.847 1.00 0.00 N ATOM 1199 CA TYR A 438 24.479 -0.248 -4.551 1.00 0.00 C ATOM 1200 C TYR A 438 23.722 -1.128 -3.558 1.00 0.00 C ATOM 1201 O TYR A 438 24.323 -1.848 -2.757 1.00 0.00 O ATOM 1202 CB TYR A 438 25.122 -1.131 -5.645 1.00 0.00 C ATOM 1203 CG TYR A 438 25.802 -0.353 -6.752 1.00 0.00 C ATOM 1204 CD1 TYR A 438 27.050 0.222 -6.562 1.00 0.00 C ATOM 1205 CD2 TYR A 438 25.195 -0.190 -7.991 1.00 0.00 C ATOM 1206 CE1 TYR A 438 27.675 0.932 -7.564 1.00 0.00 C ATOM 1207 CE2 TYR A 438 25.813 0.514 -9.007 1.00 0.00 C ATOM 1208 CZ TYR A 438 27.054 1.076 -8.786 1.00 0.00 C ATOM 1209 OH TYR A 438 27.676 1.795 -9.783 1.00 0.00 O ATOM 0 H TYR A 438 26.254 -0.040 -3.442 1.00 0.00 H new ATOM 0 HA TYR A 438 23.784 0.446 -5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 438 25.853 -1.792 -5.179 1.00 0.00 H new ATOM 0 HB3 TYR A 438 24.352 -1.766 -6.083 1.00 0.00 H new ATOM 0 HD1 TYR A 438 27.543 0.111 -5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 438 24.220 -0.622 -8.164 1.00 0.00 H new ATOM 0 HE1 TYR A 438 28.646 1.373 -7.393 1.00 0.00 H new ATOM 0 HE2 TYR A 438 25.329 0.624 -9.966 1.00 0.00 H new ATOM 0 HH TYR A 438 27.110 1.803 -10.583 1.00 0.00 H new ATOM 1219 N ARG A 439 22.396 -1.053 -3.612 1.00 0.00 N ATOM 1220 CA ARG A 439 21.552 -1.835 -2.710 1.00 0.00 C ATOM 1221 C ARG A 439 21.450 -3.271 -3.206 1.00 0.00 C ATOM 1222 O ARG A 439 20.983 -3.534 -4.323 1.00 0.00 O ATOM 1223 CB ARG A 439 20.164 -1.193 -2.578 1.00 0.00 C ATOM 1224 CG ARG A 439 19.416 -1.024 -3.897 1.00 0.00 C ATOM 1225 CD ARG A 439 18.094 -0.281 -3.738 1.00 0.00 C ATOM 1226 NE ARG A 439 17.365 -0.206 -5.001 1.00 0.00 N ATOM 1227 CZ ARG A 439 16.094 -0.605 -5.163 1.00 0.00 C ATOM 1228 NH1 ARG A 439 15.396 -1.038 -4.122 1.00 0.00 N ATOM 1229 NH2 ARG A 439 15.519 -0.554 -6.360 1.00 0.00 N ATOM 0 H ARG A 439 21.883 -0.462 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 439 22.007 -1.847 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 439 19.558 -1.802 -1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 439 20.273 -0.215 -2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 439 20.049 -0.483 -4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 439 19.225 -2.006 -4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 439 17.480 -0.785 -2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 439 18.284 0.726 -3.366 1.00 0.00 H new ATOM 0 HE ARG A 439 17.853 0.174 -5.812 1.00 0.00 H new ATOM 0 HH11 ARG A 439 15.825 -1.068 -3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 439 14.430 -1.341 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 439 16.044 -0.210 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 439 14.553 -0.859 -6.475 1.00 0.00 H new ATOM 1243 N HIS A 440 21.916 -4.201 -2.372 1.00 0.00 N ATOM 1244 CA HIS A 440 21.813 -5.632 -2.659 1.00 0.00 C ATOM 1245 C HIS A 440 20.617 -6.198 -1.900 1.00 0.00 C ATOM 1246 O HIS A 440 20.738 -6.595 -0.739 1.00 0.00 O ATOM 1247 CB HIS A 440 23.112 -6.355 -2.260 1.00 0.00 C ATOM 1248 CG HIS A 440 24.322 -5.828 -2.965 1.00 0.00 C ATOM 1249 ND1 HIS A 440 24.975 -4.680 -2.594 1.00 0.00 N ATOM 1250 CD2 HIS A 440 24.978 -6.311 -4.050 1.00 0.00 C ATOM 1251 CE1 HIS A 440 25.980 -4.483 -3.451 1.00 0.00 C ATOM 1252 NE2 HIS A 440 26.037 -5.443 -4.357 1.00 0.00 N ATOM 0 H HIS A 440 22.372 -3.986 -1.485 1.00 0.00 H new ATOM 0 HA HIS A 440 21.667 -5.786 -3.728 1.00 0.00 H new ATOM 0 HB2 HIS A 440 23.257 -6.260 -1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 440 23.009 -7.419 -2.475 1.00 0.00 H new ATOM 0 HD1 HIS A 440 24.735 -4.082 -1.803 1.00 0.00 H new ATOM 0 HD2 HIS A 440 24.727 -7.213 -4.588 1.00 0.00 H new ATOM 0 HE1 HIS A 440 26.660 -3.645 -3.409 1.00 0.00 H new ATOM 1260 N ASN A 441 19.465 -6.184 -2.552 1.00 0.00 N ATOM 1261 CA ASN A 441 18.210 -6.618 -1.946 1.00 0.00 C ATOM 1262 C ASN A 441 18.240 -8.110 -1.676 1.00 0.00 C ATOM 1263 O ASN A 441 18.179 -8.932 -2.588 1.00 0.00 O ATOM 1264 CB ASN A 441 17.023 -6.226 -2.824 1.00 0.00 C ATOM 1265 CG ASN A 441 16.756 -4.730 -2.819 1.00 0.00 C ATOM 1266 OD1 ASN A 441 16.964 -4.056 -1.807 1.00 0.00 O ATOM 1267 ND2 ASN A 441 16.317 -4.182 -3.934 1.00 0.00 N ATOM 0 H ASN A 441 19.371 -5.871 -3.518 1.00 0.00 H new ATOM 0 HA ASN A 441 18.089 -6.111 -0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 441 17.209 -6.554 -3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 441 16.132 -6.751 -2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 441 16.141 -3.178 -3.974 1.00 0.00 H new ATOM 0 HD22 ASN A 441 16.153 -4.762 -4.757 1.00 0.00 H new ATOM 1274 N THR A 442 18.346 -8.460 -0.404 1.00 0.00 N ATOM 1275 CA THR A 442 18.391 -9.825 0.016 1.00 0.00 C ATOM 1276 C THR A 442 17.015 -10.273 0.507 1.00 0.00 C ATOM 1277 O THR A 442 16.443 -9.648 1.394 1.00 0.00 O ATOM 1278 CB THR A 442 19.441 -10.036 1.139 1.00 0.00 C ATOM 1279 OG1 THR A 442 19.456 -8.870 1.995 1.00 0.00 O ATOM 1280 CG2 THR A 442 20.804 -10.282 0.551 1.00 0.00 C ATOM 0 H THR A 442 18.403 -7.788 0.362 1.00 0.00 H new ATOM 0 HA THR A 442 18.683 -10.428 -0.844 1.00 0.00 H new ATOM 0 HB THR A 442 19.171 -10.913 1.728 1.00 0.00 H new ATOM 0 HG1 THR A 442 20.116 -8.996 2.708 1.00 0.00 H new ATOM 0 HG21 THR A 442 21.526 -10.427 1.354 1.00 0.00 H new ATOM 0 HG22 THR A 442 20.774 -11.173 -0.076 1.00 0.00 H new ATOM 0 HG23 THR A 442 21.100 -9.424 -0.052 1.00 0.00 H new ATOM 1288 N LEU A 443 16.498 -11.321 -0.107 1.00 0.00 N ATOM 1289 CA LEU A 443 15.146 -11.778 0.152 1.00 0.00 C ATOM 1290 C LEU A 443 15.136 -13.304 0.360 1.00 0.00 C ATOM 1291 O LEU A 443 16.042 -13.987 -0.076 1.00 0.00 O ATOM 1292 CB LEU A 443 14.216 -11.339 -1.003 1.00 0.00 C ATOM 1293 CG LEU A 443 14.855 -11.264 -2.413 1.00 0.00 C ATOM 1294 CD1 LEU A 443 15.329 -12.626 -2.908 1.00 0.00 C ATOM 1295 CD2 LEU A 443 13.870 -10.622 -3.404 1.00 0.00 C ATOM 0 H LEU A 443 17.002 -11.878 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 443 14.770 -11.324 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 443 13.375 -12.031 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 443 13.809 -10.357 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 443 15.743 -10.636 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 443 15.769 -12.520 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 443 16.076 -13.023 -2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 443 14.482 -13.310 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 443 14.328 -10.573 -4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 443 12.961 -11.222 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 443 13.622 -9.615 -3.069 1.00 0.00 H new ATOM 1307 N PRO A 444 14.098 -13.830 1.062 1.00 0.00 N ATOM 1308 CA PRO A 444 14.051 -15.255 1.421 1.00 0.00 C ATOM 1309 C PRO A 444 14.164 -16.149 0.188 1.00 0.00 C ATOM 1310 O PRO A 444 14.794 -17.222 0.246 1.00 0.00 O ATOM 1311 CB PRO A 444 12.671 -15.404 2.096 1.00 0.00 C ATOM 1312 CG PRO A 444 11.902 -14.198 1.688 1.00 0.00 C ATOM 1313 CD PRO A 444 12.920 -13.100 1.560 1.00 0.00 C ATOM 0 HA PRO A 444 14.877 -15.556 2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 444 12.171 -16.317 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 444 12.768 -15.461 3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 444 11.382 -14.364 0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 444 11.144 -13.946 2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 444 12.598 -12.324 0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 444 13.116 -12.612 2.515 1.00 0.00 H new ATOM 1321 N VAL A 445 13.535 -15.711 -0.909 1.00 0.00 N ATOM 1322 CA VAL A 445 13.562 -16.378 -2.224 1.00 0.00 C ATOM 1323 C VAL A 445 13.306 -17.884 -2.126 1.00 0.00 C ATOM 1324 O VAL A 445 13.610 -18.649 -3.038 1.00 0.00 O ATOM 1325 CB VAL A 445 14.909 -16.124 -2.967 1.00 0.00 C ATOM 1326 CG1 VAL A 445 16.040 -16.962 -2.391 1.00 0.00 C ATOM 1327 CG2 VAL A 445 14.769 -16.358 -4.471 1.00 0.00 C ATOM 0 H VAL A 445 12.976 -14.858 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 445 12.748 -15.936 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 445 15.165 -15.076 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 445 16.961 -16.755 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 445 16.178 -16.713 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 445 15.793 -18.020 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 445 15.726 -16.172 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 445 14.463 -17.389 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 445 14.018 -15.680 -4.876 1.00 0.00 H new ATOM 1337 N ARG A 446 12.693 -18.324 -1.025 1.00 0.00 N ATOM 1338 CA ARG A 446 12.376 -19.728 -0.817 1.00 0.00 C ATOM 1339 C ARG A 446 11.291 -20.176 -1.782 1.00 0.00 C ATOM 1340 O ARG A 446 10.230 -19.544 -1.886 1.00 0.00 O ATOM 1341 CB ARG A 446 11.928 -20.012 0.616 1.00 0.00 C ATOM 1342 CG ARG A 446 13.062 -20.036 1.623 1.00 0.00 C ATOM 1343 CD ARG A 446 14.141 -21.074 1.274 1.00 0.00 C ATOM 1344 NE ARG A 446 15.101 -21.240 2.368 1.00 0.00 N ATOM 1345 CZ ARG A 446 16.389 -20.882 2.324 1.00 0.00 C ATOM 1346 NH1 ARG A 446 16.882 -20.320 1.231 1.00 0.00 N ATOM 1347 NH2 ARG A 446 17.165 -21.078 3.354 1.00 0.00 N ATOM 0 H ARG A 446 12.406 -17.715 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 446 13.291 -20.290 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 446 11.205 -19.254 0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 446 11.413 -20.972 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 446 13.518 -19.047 1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 446 12.660 -20.254 2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 446 13.669 -22.032 1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 446 14.667 -20.764 0.371 1.00 0.00 H new ATOM 0 HE ARG A 446 14.760 -21.662 3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 446 16.280 -20.160 0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 446 17.864 -20.047 1.197 1.00 0.00 H new ATOM 0 HH21 ARG A 446 16.791 -21.507 4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 446 18.146 -20.802 3.313 1.00 0.00 H new ATOM 1361 N ASN A 447 11.575 -21.279 -2.465 1.00 0.00 N ATOM 1362 CA ASN A 447 10.666 -21.842 -3.439 1.00 0.00 C ATOM 1363 C ASN A 447 9.636 -22.733 -2.752 1.00 0.00 C ATOM 1364 O ASN A 447 8.594 -23.050 -3.325 1.00 0.00 O ATOM 1365 CB ASN A 447 11.451 -22.666 -4.479 1.00 0.00 C ATOM 1366 CG ASN A 447 12.404 -21.824 -5.298 1.00 0.00 C ATOM 1367 OD1 ASN A 447 12.169 -20.636 -5.539 1.00 0.00 O ATOM 1368 ND2 ASN A 447 13.506 -22.421 -5.743 1.00 0.00 N ATOM 0 H ASN A 447 12.443 -21.803 -2.355 1.00 0.00 H new ATOM 0 HA ASN A 447 10.148 -21.025 -3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 447 12.012 -23.448 -3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 447 10.748 -23.164 -5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 447 14.182 -21.896 -6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 447 13.675 -23.404 -5.529 1.00 0.00 H new ATOM 1375 N VAL A 448 9.944 -23.128 -1.520 1.00 0.00 N ATOM 1376 CA VAL A 448 9.050 -23.958 -0.713 1.00 0.00 C ATOM 1377 C VAL A 448 7.863 -23.148 -0.201 1.00 0.00 C ATOM 1378 O VAL A 448 7.898 -21.912 -0.178 1.00 0.00 O ATOM 1379 CB VAL A 448 9.797 -24.581 0.477 1.00 0.00 C ATOM 1380 CG1 VAL A 448 10.936 -25.492 -0.012 1.00 0.00 C ATOM 1381 CG2 VAL A 448 10.363 -23.497 1.399 1.00 0.00 C ATOM 0 H VAL A 448 10.817 -22.884 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 448 8.682 -24.757 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 448 9.080 -25.179 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 448 11.452 -25.923 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 448 10.524 -26.292 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 448 11.641 -24.908 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 448 10.886 -23.965 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 448 11.058 -22.870 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 448 9.548 -22.883 1.782 1.00 0.00 H new TER 1391 VAL A 448 HETATM 1392 ZN ZN A 449 3.607 14.806 -13.452 1.00 0.00 ZN HETATM 1393 ZN ZN A 450 27.310 -5.805 -5.526 1.00 0.00 ZN