USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.932 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 13 GLN : amide:sc= -2.64 K(o=-2.6,f=-6.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -8.58! C(o=-12!,f=-8.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -104:sc= 0.424 USER MOD Single : A 21 THR OG1 : rot 40:sc= 0.461 USER MOD Single : A 26 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.56) USER MOD Single : A 27 HIS : no HD1:sc= -0.723 K(o=-0.72,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -127:sc= 1.02 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.869 X(o=-0.87,f=-0.79!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 49:sc= 0.694 USER MOD Single : A 72 LYS NZ :NH3+ -137:sc= -0.354 (180deg=-0.877) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -3.12 K(o=-3.1,f=-4.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.825 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.611 (180deg=-2.57!) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -0.0323 (180deg=-0.0323) USER MOD Single : A 95 HEM CMC :methyl 150:sc= -2.62! (180deg=-2.62!) USER MOD Single : A 95 HEM CMD :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.921 13.644 -27.374 1.00 0.00 N ATOM 2 CA VAL A 4 14.470 14.364 -26.197 1.00 0.00 C ATOM 3 C VAL A 4 15.657 14.596 -25.259 1.00 0.00 C ATOM 4 O VAL A 4 16.618 13.826 -25.266 1.00 0.00 O ATOM 5 CB VAL A 4 13.320 13.607 -25.528 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.621 13.348 -24.050 1.00 0.00 C ATOM 7 CG2 VAL A 4 11.999 14.359 -25.695 1.00 0.00 C ATOM 0 HA VAL A 4 14.079 15.343 -26.476 1.00 0.00 H new ATOM 0 HB VAL A 4 13.221 12.641 -26.024 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.788 12.809 -23.598 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.529 12.752 -23.963 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.760 14.299 -23.535 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.198 13.800 -25.211 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.081 15.345 -25.238 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.775 14.469 -26.756 1.00 0.00 H new ATOM 17 N LYS A 5 15.554 15.660 -24.476 1.00 0.00 N ATOM 18 CA LYS A 5 16.607 16.003 -23.536 1.00 0.00 C ATOM 19 C LYS A 5 16.356 15.281 -22.210 1.00 0.00 C ATOM 20 O LYS A 5 15.231 15.260 -21.714 1.00 0.00 O ATOM 21 CB LYS A 5 16.727 17.521 -23.396 1.00 0.00 C ATOM 22 CG LYS A 5 18.194 17.952 -23.336 1.00 0.00 C ATOM 23 CD LYS A 5 18.555 18.839 -24.530 1.00 0.00 C ATOM 24 CE LYS A 5 20.047 18.740 -24.856 1.00 0.00 C ATOM 25 NZ LYS A 5 20.656 20.087 -24.908 1.00 0.00 N ATOM 0 H LYS A 5 14.757 16.296 -24.474 1.00 0.00 H new ATOM 0 HA LYS A 5 17.574 15.663 -23.907 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.236 18.007 -24.239 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.211 17.848 -22.494 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.380 18.492 -22.408 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.835 17.071 -23.326 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.969 18.541 -25.399 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.295 19.874 -24.310 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.551 18.135 -24.102 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.184 18.235 -25.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.668 20.002 -25.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.186 20.652 -25.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.542 20.555 -23.986 1.00 0.00 H new ATOM 39 N TYR A 6 17.424 14.708 -21.675 1.00 0.00 N ATOM 40 CA TYR A 6 17.334 13.987 -20.416 1.00 0.00 C ATOM 41 C TYR A 6 17.595 14.919 -19.231 1.00 0.00 C ATOM 42 O TYR A 6 18.740 15.097 -18.818 1.00 0.00 O ATOM 43 CB TYR A 6 18.428 12.920 -20.462 1.00 0.00 C ATOM 44 CG TYR A 6 18.114 11.747 -21.393 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.868 11.154 -21.360 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.077 11.282 -22.266 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.574 10.050 -22.237 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.782 10.178 -23.143 1.00 0.00 C ATOM 49 CZ TYR A 6 17.545 9.617 -23.085 1.00 0.00 C ATOM 50 OH TYR A 6 17.266 8.574 -23.912 1.00 0.00 O ATOM 0 H TYR A 6 18.356 14.728 -22.090 1.00 0.00 H new ATOM 0 HA TYR A 6 16.339 13.560 -20.288 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.361 13.384 -20.781 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.591 12.537 -19.454 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.114 11.518 -20.677 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.052 11.746 -22.291 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.604 9.576 -22.222 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.526 9.805 -23.831 1.00 0.00 H new ATOM 0 HH TYR A 6 18.052 8.374 -24.462 1.00 0.00 H new ATOM 60 N TYR A 7 16.516 15.488 -18.717 1.00 0.00 N ATOM 61 CA TYR A 7 16.614 16.398 -17.587 1.00 0.00 C ATOM 62 C TYR A 7 16.209 15.702 -16.286 1.00 0.00 C ATOM 63 O TYR A 7 15.152 15.076 -16.216 1.00 0.00 O ATOM 64 CB TYR A 7 15.630 17.533 -17.872 1.00 0.00 C ATOM 65 CG TYR A 7 14.732 17.288 -19.086 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.679 16.400 -18.997 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.974 17.955 -20.270 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.833 16.169 -20.140 1.00 0.00 C ATOM 69 CE2 TYR A 7 14.128 17.724 -21.412 1.00 0.00 C ATOM 70 CZ TYR A 7 13.100 16.842 -21.291 1.00 0.00 C ATOM 71 OH TYR A 7 12.301 16.625 -22.370 1.00 0.00 O ATOM 0 H TYR A 7 15.568 15.337 -19.062 1.00 0.00 H new ATOM 0 HA TYR A 7 17.638 16.753 -17.468 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.003 17.685 -16.994 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.190 18.455 -18.027 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.489 15.878 -18.071 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.798 18.650 -20.340 1.00 0.00 H new ATOM 0 HE1 TYR A 7 12.006 15.477 -20.084 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.306 18.240 -22.344 1.00 0.00 H new ATOM 0 HH TYR A 7 12.609 17.174 -23.121 1.00 0.00 H new ATOM 81 N THR A 8 17.070 15.834 -15.288 1.00 0.00 N ATOM 82 CA THR A 8 16.815 15.227 -13.993 1.00 0.00 C ATOM 83 C THR A 8 15.820 16.070 -13.194 1.00 0.00 C ATOM 84 O THR A 8 15.614 17.244 -13.496 1.00 0.00 O ATOM 85 CB THR A 8 18.158 15.039 -13.286 1.00 0.00 C ATOM 86 OG1 THR A 8 18.598 16.367 -13.019 1.00 0.00 O ATOM 87 CG2 THR A 8 19.234 14.469 -14.213 1.00 0.00 C ATOM 0 H THR A 8 17.946 16.353 -15.350 1.00 0.00 H new ATOM 0 HA THR A 8 16.348 14.248 -14.101 1.00 0.00 H new ATOM 0 HB THR A 8 18.028 14.376 -12.431 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.463 16.339 -12.559 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.167 14.356 -13.661 1.00 0.00 H new ATOM 0 HG22 THR A 8 18.914 13.497 -14.588 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.389 15.148 -15.051 1.00 0.00 H new ATOM 95 N LEU A 9 15.229 15.439 -12.191 1.00 0.00 N ATOM 96 CA LEU A 9 14.261 16.117 -11.346 1.00 0.00 C ATOM 97 C LEU A 9 14.738 17.545 -11.075 1.00 0.00 C ATOM 98 O LEU A 9 13.926 18.450 -10.894 1.00 0.00 O ATOM 99 CB LEU A 9 13.996 15.305 -10.076 1.00 0.00 C ATOM 100 CG LEU A 9 13.090 14.084 -10.237 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.443 13.303 -11.505 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.134 13.200 -8.989 1.00 0.00 C ATOM 0 H LEU A 9 15.402 14.465 -11.944 1.00 0.00 H new ATOM 0 HA LEU A 9 13.300 16.193 -11.854 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.953 14.972 -9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.552 15.966 -9.332 1.00 0.00 H new ATOM 0 HG LEU A 9 12.063 14.433 -10.348 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.784 12.440 -11.596 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.319 13.947 -12.375 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.478 12.965 -11.448 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.481 12.339 -9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.155 12.857 -8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.797 13.773 -8.125 1.00 0.00 H new ATOM 114 N GLU A 10 16.054 17.701 -11.057 1.00 0.00 N ATOM 115 CA GLU A 10 16.649 19.004 -10.812 1.00 0.00 C ATOM 116 C GLU A 10 15.973 20.068 -11.679 1.00 0.00 C ATOM 117 O GLU A 10 15.989 21.251 -11.340 1.00 0.00 O ATOM 118 CB GLU A 10 18.159 18.972 -11.060 1.00 0.00 C ATOM 119 CG GLU A 10 18.930 19.374 -9.802 1.00 0.00 C ATOM 120 CD GLU A 10 20.339 18.780 -9.808 1.00 0.00 C ATOM 121 OE1 GLU A 10 21.204 19.378 -10.485 1.00 0.00 O ATOM 122 OE2 GLU A 10 20.521 17.741 -9.139 1.00 0.00 O ATOM 0 H GLU A 10 16.724 16.947 -11.208 1.00 0.00 H new ATOM 0 HA GLU A 10 16.491 19.263 -9.765 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.459 17.971 -11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.411 19.648 -11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.990 20.461 -9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.392 19.033 -8.917 1.00 0.00 H new ATOM 129 N GLU A 11 15.395 19.610 -12.779 1.00 0.00 N ATOM 130 CA GLU A 11 14.716 20.509 -13.697 1.00 0.00 C ATOM 131 C GLU A 11 13.207 20.479 -13.447 1.00 0.00 C ATOM 132 O GLU A 11 12.597 21.515 -13.183 1.00 0.00 O ATOM 133 CB GLU A 11 15.038 20.155 -15.150 1.00 0.00 C ATOM 134 CG GLU A 11 16.548 20.038 -15.364 1.00 0.00 C ATOM 135 CD GLU A 11 17.277 21.260 -14.802 1.00 0.00 C ATOM 136 OE1 GLU A 11 17.159 22.333 -15.434 1.00 0.00 O ATOM 137 OE2 GLU A 11 17.937 21.094 -13.754 1.00 0.00 O ATOM 0 H GLU A 11 15.383 18.628 -13.056 1.00 0.00 H new ATOM 0 HA GLU A 11 15.076 21.522 -13.517 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.556 19.214 -15.414 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.631 20.919 -15.813 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.919 19.134 -14.880 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.762 19.940 -16.428 1.00 0.00 H new ATOM 144 N ILE A 12 12.646 19.283 -13.539 1.00 0.00 N ATOM 145 CA ILE A 12 11.220 19.105 -13.326 1.00 0.00 C ATOM 146 C ILE A 12 10.829 19.720 -11.981 1.00 0.00 C ATOM 147 O ILE A 12 9.717 20.221 -11.824 1.00 0.00 O ATOM 148 CB ILE A 12 10.837 17.630 -13.463 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.197 17.096 -14.851 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.360 17.413 -13.131 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.337 16.078 -14.769 1.00 0.00 C ATOM 0 H ILE A 12 13.154 18.426 -13.759 1.00 0.00 H new ATOM 0 HA ILE A 12 10.652 19.630 -14.094 1.00 0.00 H new ATOM 0 HB ILE A 12 11.417 17.059 -12.738 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.321 16.631 -15.304 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.489 17.923 -15.498 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.115 16.356 -13.236 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.167 17.730 -12.106 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.744 17.998 -13.814 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.573 15.714 -15.769 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.219 16.553 -14.338 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.033 15.241 -14.141 1.00 0.00 H new ATOM 163 N GLN A 13 11.765 19.660 -11.045 1.00 0.00 N ATOM 164 CA GLN A 13 11.532 20.204 -9.718 1.00 0.00 C ATOM 165 C GLN A 13 11.219 21.699 -9.806 1.00 0.00 C ATOM 166 O GLN A 13 10.282 22.179 -9.170 1.00 0.00 O ATOM 167 CB GLN A 13 12.730 19.947 -8.802 1.00 0.00 C ATOM 168 CG GLN A 13 12.730 18.506 -8.290 1.00 0.00 C ATOM 169 CD GLN A 13 11.505 18.234 -7.415 1.00 0.00 C ATOM 170 OE1 GLN A 13 10.412 17.982 -7.894 1.00 0.00 O ATOM 171 NE2 GLN A 13 11.748 18.301 -6.109 1.00 0.00 N ATOM 0 H GLN A 13 12.686 19.243 -11.179 1.00 0.00 H new ATOM 0 HA GLN A 13 10.670 19.697 -9.284 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.655 20.144 -9.344 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.702 20.636 -7.958 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.738 17.817 -9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.639 18.320 -7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.687 18.517 -5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.995 18.136 -5.441 1.00 0.00 H new ATOM 180 N LYS A 14 12.022 22.394 -10.598 1.00 0.00 N ATOM 181 CA LYS A 14 11.842 23.824 -10.777 1.00 0.00 C ATOM 182 C LYS A 14 10.615 24.074 -11.655 1.00 0.00 C ATOM 183 O LYS A 14 10.223 25.221 -11.868 1.00 0.00 O ATOM 184 CB LYS A 14 13.124 24.463 -11.317 1.00 0.00 C ATOM 185 CG LYS A 14 13.581 25.616 -10.423 1.00 0.00 C ATOM 186 CD LYS A 14 13.122 26.962 -10.986 1.00 0.00 C ATOM 187 CE LYS A 14 14.157 28.054 -10.709 1.00 0.00 C ATOM 188 NZ LYS A 14 13.641 29.016 -9.710 1.00 0.00 N ATOM 0 H LYS A 14 12.799 21.993 -11.123 1.00 0.00 H new ATOM 0 HA LYS A 14 11.652 24.306 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.911 23.712 -11.378 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.953 24.829 -12.330 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.180 25.482 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.668 25.605 -10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.959 26.874 -12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.167 27.240 -10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.081 27.604 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.399 28.577 -11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.356 29.750 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.772 29.459 -10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.432 28.516 -8.822 1.00 0.00 H new ATOM 202 N HIS A 15 10.041 22.982 -12.139 1.00 0.00 N ATOM 203 CA HIS A 15 8.865 23.069 -12.988 1.00 0.00 C ATOM 204 C HIS A 15 7.624 22.663 -12.191 1.00 0.00 C ATOM 205 O HIS A 15 6.776 21.925 -12.689 1.00 0.00 O ATOM 206 CB HIS A 15 9.052 22.238 -14.260 1.00 0.00 C ATOM 207 CG HIS A 15 10.211 22.680 -15.119 1.00 0.00 C ATOM 208 ND1 HIS A 15 11.360 22.032 -15.468 1.00 0.00 N flip ATOM 209 CD2 HIS A 15 10.265 23.924 -15.723 1.00 0.00 C flip ATOM 210 CE1 HIS A 15 12.075 22.837 -16.245 1.00 0.00 C flip ATOM 211 NE2 HIS A 15 11.399 24.010 -16.403 1.00 0.00 N flip ATOM 0 H HIS A 15 10.368 22.033 -11.959 1.00 0.00 H new ATOM 0 HA HIS A 15 8.722 24.099 -13.314 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.197 21.194 -13.981 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.137 22.286 -14.850 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.511 24.694 -15.652 1.00 0.00 H new ATOM 0 HE1 HIS A 15 13.035 22.601 -16.680 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.711 24.813 -16.949 1.00 0.00 H new ATOM 219 N LYS A 16 7.558 23.163 -10.966 1.00 0.00 N ATOM 220 CA LYS A 16 6.436 22.862 -10.094 1.00 0.00 C ATOM 221 C LYS A 16 5.581 24.119 -9.917 1.00 0.00 C ATOM 222 O LYS A 16 5.324 24.545 -8.792 1.00 0.00 O ATOM 223 CB LYS A 16 6.927 22.261 -8.775 1.00 0.00 C ATOM 224 CG LYS A 16 5.752 21.800 -7.911 1.00 0.00 C ATOM 225 CD LYS A 16 6.217 21.441 -6.500 1.00 0.00 C ATOM 226 CE LYS A 16 6.054 19.943 -6.232 1.00 0.00 C ATOM 227 NZ LYS A 16 6.253 19.648 -4.796 1.00 0.00 N ATOM 0 H LYS A 16 8.264 23.775 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 16 5.797 22.102 -10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.586 21.417 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.515 23.000 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.002 22.589 -7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.275 20.935 -8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.262 21.725 -6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.643 22.009 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.061 19.618 -6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.773 19.381 -6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.139 18.627 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.210 19.939 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.550 20.170 -4.234 1.00 0.00 H new ATOM 241 N ASP A 17 5.167 24.678 -11.044 1.00 0.00 N ATOM 242 CA ASP A 17 4.347 25.878 -11.027 1.00 0.00 C ATOM 243 C ASP A 17 3.372 25.840 -12.206 1.00 0.00 C ATOM 244 O ASP A 17 3.698 25.316 -13.269 1.00 0.00 O ATOM 245 CB ASP A 17 5.208 27.135 -11.165 1.00 0.00 C ATOM 246 CG ASP A 17 5.081 28.135 -10.015 1.00 0.00 C ATOM 247 OD1 ASP A 17 4.025 28.803 -9.958 1.00 0.00 O ATOM 248 OD2 ASP A 17 6.041 28.210 -9.218 1.00 0.00 O ATOM 0 H ASP A 17 5.384 24.323 -11.975 1.00 0.00 H new ATOM 0 HA ASP A 17 3.813 25.909 -10.077 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.252 26.834 -11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.943 27.638 -12.095 1.00 0.00 H new ATOM 253 N SER A 18 2.195 26.405 -11.977 1.00 0.00 N ATOM 254 CA SER A 18 1.171 26.443 -13.007 1.00 0.00 C ATOM 255 C SER A 18 1.812 26.692 -14.373 1.00 0.00 C ATOM 256 O SER A 18 1.440 26.061 -15.361 1.00 0.00 O ATOM 257 CB SER A 18 0.127 27.521 -12.706 1.00 0.00 C ATOM 258 OG SER A 18 0.729 28.778 -12.406 1.00 0.00 O ATOM 0 H SER A 18 1.928 26.840 -11.094 1.00 0.00 H new ATOM 0 HA SER A 18 0.664 25.478 -13.021 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.537 27.632 -13.563 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.489 27.204 -11.865 1.00 0.00 H new ATOM 0 HG SER A 18 0.030 29.440 -12.221 1.00 0.00 H new ATOM 264 N LYS A 19 2.764 27.613 -14.386 1.00 0.00 N ATOM 265 CA LYS A 19 3.460 27.953 -15.616 1.00 0.00 C ATOM 266 C LYS A 19 3.917 26.669 -16.309 1.00 0.00 C ATOM 267 O LYS A 19 3.378 26.295 -17.350 1.00 0.00 O ATOM 268 CB LYS A 19 4.596 28.937 -15.333 1.00 0.00 C ATOM 269 CG LYS A 19 4.733 29.957 -16.466 1.00 0.00 C ATOM 270 CD LYS A 19 5.748 29.485 -17.509 1.00 0.00 C ATOM 271 CE LYS A 19 5.070 29.233 -18.858 1.00 0.00 C ATOM 272 NZ LYS A 19 5.520 30.226 -19.858 1.00 0.00 N ATOM 0 H LYS A 19 3.070 28.135 -13.565 1.00 0.00 H new ATOM 0 HA LYS A 19 2.789 28.466 -16.305 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.407 29.455 -14.393 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.533 28.392 -15.214 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.764 30.111 -16.940 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.045 30.919 -16.059 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.531 30.235 -17.626 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.231 28.571 -17.164 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.303 28.227 -19.206 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.987 29.288 -18.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.050 30.040 -20.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.276 31.183 -19.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.550 30.154 -19.980 1.00 0.00 H new ATOM 286 N SER A 20 4.907 26.027 -15.704 1.00 0.00 N ATOM 287 CA SER A 20 5.443 24.792 -16.251 1.00 0.00 C ATOM 288 C SER A 20 5.344 23.674 -15.213 1.00 0.00 C ATOM 289 O SER A 20 6.196 23.562 -14.332 1.00 0.00 O ATOM 290 CB SER A 20 6.894 24.973 -16.700 1.00 0.00 C ATOM 291 OG SER A 20 7.156 24.318 -17.939 1.00 0.00 O ATOM 0 H SER A 20 5.351 26.339 -14.841 1.00 0.00 H new ATOM 0 HA SER A 20 4.852 24.520 -17.125 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.113 26.036 -16.799 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.562 24.580 -15.934 1.00 0.00 H new ATOM 0 HG SER A 20 7.653 23.490 -17.773 1.00 0.00 H new ATOM 297 N THR A 21 4.296 22.874 -15.349 1.00 0.00 N ATOM 298 CA THR A 21 4.074 21.768 -14.433 1.00 0.00 C ATOM 299 C THR A 21 4.012 20.445 -15.199 1.00 0.00 C ATOM 300 O THR A 21 3.184 20.281 -16.095 1.00 0.00 O ATOM 301 CB THR A 21 2.806 22.066 -13.630 1.00 0.00 C ATOM 302 OG1 THR A 21 3.225 23.025 -12.663 1.00 0.00 O ATOM 303 CG2 THR A 21 2.348 20.869 -12.794 1.00 0.00 C ATOM 0 H THR A 21 3.591 22.970 -16.080 1.00 0.00 H new ATOM 0 HA THR A 21 4.902 21.663 -13.732 1.00 0.00 H new ATOM 0 HB THR A 21 2.007 22.361 -14.310 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.840 23.663 -13.081 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.445 21.134 -12.244 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.138 20.025 -13.451 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.134 20.595 -12.090 1.00 0.00 H new ATOM 311 N TRP A 22 4.896 19.535 -14.819 1.00 0.00 N ATOM 312 CA TRP A 22 4.952 18.232 -15.460 1.00 0.00 C ATOM 313 C TRP A 22 4.766 17.166 -14.378 1.00 0.00 C ATOM 314 O TRP A 22 4.530 17.490 -13.215 1.00 0.00 O ATOM 315 CB TRP A 22 6.253 18.064 -16.248 1.00 0.00 C ATOM 316 CG TRP A 22 6.734 19.342 -16.936 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.990 20.320 -17.472 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.104 19.744 -17.142 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.779 21.319 -18.006 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.106 20.958 -17.799 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.304 19.104 -16.785 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.277 21.636 -18.156 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.466 19.795 -17.148 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.484 21.016 -17.810 1.00 0.00 C ATOM 0 H TRP A 22 5.580 19.674 -14.075 1.00 0.00 H new ATOM 0 HA TRP A 22 4.153 18.127 -16.194 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.032 17.713 -15.572 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.112 17.289 -17.002 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.910 20.326 -17.484 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.449 22.167 -18.468 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.327 18.154 -16.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.251 22.585 -18.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.416 19.347 -16.895 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.425 21.485 -18.057 1.00 0.00 H new ATOM 335 N VAL A 23 4.877 15.915 -14.800 1.00 0.00 N ATOM 336 CA VAL A 23 4.725 14.799 -13.883 1.00 0.00 C ATOM 337 C VAL A 23 5.376 13.553 -14.488 1.00 0.00 C ATOM 338 O VAL A 23 4.865 12.988 -15.453 1.00 0.00 O ATOM 339 CB VAL A 23 3.245 14.597 -13.547 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.793 15.570 -12.457 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.376 14.732 -14.799 1.00 0.00 C ATOM 0 H VAL A 23 5.071 15.650 -15.766 1.00 0.00 H new ATOM 0 HA VAL A 23 5.234 15.006 -12.942 1.00 0.00 H new ATOM 0 HB VAL A 23 3.123 13.584 -13.163 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.738 15.406 -12.237 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.382 15.405 -11.555 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.936 16.594 -12.801 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.329 14.584 -14.533 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.505 15.727 -15.226 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.674 13.982 -15.531 1.00 0.00 H new ATOM 351 N ILE A 24 6.495 13.163 -13.895 1.00 0.00 N ATOM 352 CA ILE A 24 7.221 11.996 -14.363 1.00 0.00 C ATOM 353 C ILE A 24 6.362 10.747 -14.153 1.00 0.00 C ATOM 354 O ILE A 24 5.982 10.433 -13.025 1.00 0.00 O ATOM 355 CB ILE A 24 8.595 11.915 -13.694 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.628 11.294 -14.636 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.514 11.169 -12.361 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.400 9.789 -14.784 1.00 0.00 C ATOM 0 H ILE A 24 6.916 13.635 -13.095 1.00 0.00 H new ATOM 0 HA ILE A 24 7.416 12.074 -15.433 1.00 0.00 H new ATOM 0 HB ILE A 24 8.928 12.930 -13.475 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.568 11.772 -15.614 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.632 11.477 -14.253 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.504 11.126 -11.907 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.831 11.692 -11.692 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.149 10.156 -12.532 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.148 9.372 -15.459 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.485 9.310 -13.808 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.405 9.610 -15.191 1.00 0.00 H new ATOM 370 N LEU A 25 6.080 10.069 -15.256 1.00 0.00 N ATOM 371 CA LEU A 25 5.272 8.862 -15.207 1.00 0.00 C ATOM 372 C LEU A 25 5.841 7.833 -16.186 1.00 0.00 C ATOM 373 O LEU A 25 6.010 8.123 -17.369 1.00 0.00 O ATOM 374 CB LEU A 25 3.799 9.194 -15.451 1.00 0.00 C ATOM 375 CG LEU A 25 3.450 9.711 -16.847 1.00 0.00 C ATOM 376 CD1 LEU A 25 3.254 8.553 -17.828 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.232 10.635 -16.802 1.00 0.00 C ATOM 0 H LEU A 25 6.397 10.333 -16.189 1.00 0.00 H new ATOM 0 HA LEU A 25 5.314 8.415 -14.214 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.209 8.298 -15.259 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.490 9.942 -14.721 1.00 0.00 H new ATOM 0 HG LEU A 25 4.290 10.303 -17.211 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.007 8.949 -18.813 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.173 7.970 -17.891 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.443 7.914 -17.479 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.006 10.988 -17.808 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.375 10.089 -16.408 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.446 11.488 -16.158 1.00 0.00 H new ATOM 389 N HIS A 26 6.121 6.652 -15.655 1.00 0.00 N ATOM 390 CA HIS A 26 6.667 5.577 -16.467 1.00 0.00 C ATOM 391 C HIS A 26 7.991 6.027 -17.089 1.00 0.00 C ATOM 392 O HIS A 26 8.253 5.760 -18.261 1.00 0.00 O ATOM 393 CB HIS A 26 5.649 5.114 -17.512 1.00 0.00 C ATOM 394 CG HIS A 26 5.855 3.694 -17.981 1.00 0.00 C ATOM 395 ND1 HIS A 26 6.261 2.676 -17.135 1.00 0.00 N ATOM 396 CD2 HIS A 26 5.705 3.133 -19.215 1.00 0.00 C ATOM 397 CE1 HIS A 26 6.349 1.557 -17.840 1.00 0.00 C ATOM 398 NE2 HIS A 26 6.004 1.842 -19.129 1.00 0.00 N ATOM 0 H HIS A 26 5.980 6.416 -14.673 1.00 0.00 H new ATOM 0 HA HIS A 26 6.875 4.711 -15.839 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.647 5.206 -17.094 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.698 5.781 -18.373 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.395 3.651 -20.111 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.642 0.589 -17.461 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.980 1.174 -19.899 1.00 0.00 H new ATOM 406 N HIS A 27 8.791 6.700 -16.276 1.00 0.00 N ATOM 407 CA HIS A 27 10.082 7.189 -16.731 1.00 0.00 C ATOM 408 C HIS A 27 9.879 8.185 -17.874 1.00 0.00 C ATOM 409 O HIS A 27 10.802 8.447 -18.644 1.00 0.00 O ATOM 410 CB HIS A 27 10.999 6.026 -17.113 1.00 0.00 C ATOM 411 CG HIS A 27 10.979 4.879 -16.130 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.911 5.067 -14.760 1.00 0.00 N ATOM 413 CD2 HIS A 27 11.016 3.531 -16.333 1.00 0.00 C ATOM 414 CE1 HIS A 27 10.910 3.879 -14.175 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.976 2.928 -15.151 1.00 0.00 N ATOM 0 H HIS A 27 8.571 6.919 -15.304 1.00 0.00 H new ATOM 0 HA HIS A 27 10.582 7.718 -15.919 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.707 5.654 -18.095 1.00 0.00 H new ATOM 0 HB3 HIS A 27 12.020 6.396 -17.203 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.069 3.038 -17.292 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.865 3.695 -13.112 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.992 1.920 -14.998 1.00 0.00 H new ATOM 423 N LYS A 28 8.666 8.711 -17.951 1.00 0.00 N ATOM 424 CA LYS A 28 8.331 9.672 -18.988 1.00 0.00 C ATOM 425 C LYS A 28 7.562 10.840 -18.366 1.00 0.00 C ATOM 426 O LYS A 28 6.469 10.655 -17.832 1.00 0.00 O ATOM 427 CB LYS A 28 7.584 8.985 -20.133 1.00 0.00 C ATOM 428 CG LYS A 28 8.454 7.910 -20.787 1.00 0.00 C ATOM 429 CD LYS A 28 7.639 6.648 -21.079 1.00 0.00 C ATOM 430 CE LYS A 28 6.607 6.905 -22.179 1.00 0.00 C ATOM 431 NZ LYS A 28 5.741 5.719 -22.363 1.00 0.00 N ATOM 0 H LYS A 28 7.902 8.490 -17.312 1.00 0.00 H new ATOM 0 HA LYS A 28 9.237 10.086 -19.431 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.666 8.535 -19.755 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.293 9.725 -20.878 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.879 8.295 -21.714 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.289 7.664 -20.131 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.307 5.842 -21.383 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.134 6.319 -20.171 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.998 7.771 -21.920 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.115 7.141 -23.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.046 5.910 -23.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.325 4.901 -22.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.243 5.512 -21.474 1.00 0.00 H new ATOM 445 N VAL A 29 8.163 12.016 -18.455 1.00 0.00 N ATOM 446 CA VAL A 29 7.549 13.215 -17.908 1.00 0.00 C ATOM 447 C VAL A 29 6.638 13.843 -18.963 1.00 0.00 C ATOM 448 O VAL A 29 6.991 13.898 -20.141 1.00 0.00 O ATOM 449 CB VAL A 29 8.629 14.173 -17.404 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.683 14.430 -18.484 1.00 0.00 C ATOM 451 CG2 VAL A 29 8.013 15.485 -16.914 1.00 0.00 C ATOM 0 H VAL A 29 9.070 12.165 -18.898 1.00 0.00 H new ATOM 0 HA VAL A 29 6.927 12.967 -17.048 1.00 0.00 H new ATOM 0 HB VAL A 29 9.127 13.701 -16.557 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.439 15.114 -18.099 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.155 13.488 -18.763 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.207 14.871 -19.360 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.803 16.148 -16.561 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.477 15.963 -17.733 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.320 15.279 -16.098 1.00 0.00 H new ATOM 461 N TYR A 30 5.483 14.302 -18.504 1.00 0.00 N ATOM 462 CA TYR A 30 4.518 14.924 -19.395 1.00 0.00 C ATOM 463 C TYR A 30 4.223 16.363 -18.965 1.00 0.00 C ATOM 464 O TYR A 30 3.967 16.623 -17.790 1.00 0.00 O ATOM 465 CB TYR A 30 3.237 14.096 -19.275 1.00 0.00 C ATOM 466 CG TYR A 30 3.318 12.724 -19.947 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.311 11.837 -19.586 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.398 12.374 -20.914 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.388 10.545 -20.219 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.473 11.082 -21.547 1.00 0.00 C ATOM 471 CZ TYR A 30 3.465 10.232 -21.168 1.00 0.00 C ATOM 472 OH TYR A 30 3.537 9.012 -21.765 1.00 0.00 O ATOM 0 H TYR A 30 5.194 14.256 -17.527 1.00 0.00 H new ATOM 0 HA TYR A 30 4.902 14.954 -20.415 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.003 13.959 -18.219 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.412 14.656 -19.714 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.031 12.111 -18.829 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.621 13.069 -21.197 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.161 9.841 -19.946 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.759 10.795 -22.304 1.00 0.00 H new ATOM 0 HH TYR A 30 2.814 8.926 -22.421 1.00 0.00 H new ATOM 482 N ASP A 31 4.269 17.260 -19.939 1.00 0.00 N ATOM 483 CA ASP A 31 4.011 18.665 -19.676 1.00 0.00 C ATOM 484 C ASP A 31 2.527 18.957 -19.907 1.00 0.00 C ATOM 485 O ASP A 31 2.142 19.420 -20.980 1.00 0.00 O ATOM 486 CB ASP A 31 4.821 19.560 -20.615 1.00 0.00 C ATOM 487 CG ASP A 31 4.422 21.037 -20.606 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.846 21.733 -19.659 1.00 0.00 O ATOM 489 OD2 ASP A 31 3.701 21.435 -21.547 1.00 0.00 O ATOM 0 H ASP A 31 4.481 17.041 -20.912 1.00 0.00 H new ATOM 0 HA ASP A 31 4.297 18.873 -18.645 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.875 19.482 -20.347 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.722 19.179 -21.631 1.00 0.00 H new ATOM 494 N LEU A 32 1.734 18.677 -18.883 1.00 0.00 N ATOM 495 CA LEU A 32 0.301 18.904 -18.961 1.00 0.00 C ATOM 496 C LEU A 32 -0.017 20.308 -18.444 1.00 0.00 C ATOM 497 O LEU A 32 -1.131 20.570 -17.993 1.00 0.00 O ATOM 498 CB LEU A 32 -0.458 17.793 -18.233 1.00 0.00 C ATOM 499 CG LEU A 32 0.275 17.136 -17.062 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.714 16.509 -16.078 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.307 16.122 -17.562 1.00 0.00 C ATOM 0 H LEU A 32 2.057 18.295 -17.994 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.036 18.862 -19.997 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.397 18.204 -17.863 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.712 17.019 -18.957 1.00 0.00 H new ATOM 0 HG LEU A 32 0.819 17.910 -16.521 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.167 16.049 -15.255 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.376 17.281 -15.686 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.305 15.750 -16.590 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.814 15.669 -16.710 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.805 15.346 -18.140 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.038 16.628 -18.193 1.00 0.00 H new ATOM 513 N THR A 33 0.982 21.175 -18.526 1.00 0.00 N ATOM 514 CA THR A 33 0.823 22.546 -18.072 1.00 0.00 C ATOM 515 C THR A 33 -0.103 23.316 -19.016 1.00 0.00 C ATOM 516 O THR A 33 -0.688 24.327 -18.629 1.00 0.00 O ATOM 517 CB THR A 33 2.216 23.167 -17.946 1.00 0.00 C ATOM 518 OG1 THR A 33 2.085 24.095 -16.874 1.00 0.00 O ATOM 519 CG2 THR A 33 2.579 24.037 -19.151 1.00 0.00 C ATOM 0 H THR A 33 1.905 20.954 -18.900 1.00 0.00 H new ATOM 0 HA THR A 33 0.344 22.586 -17.094 1.00 0.00 H new ATOM 0 HB THR A 33 2.958 22.377 -17.832 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.401 24.976 -17.164 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.577 24.454 -19.012 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.562 23.430 -20.056 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.857 24.848 -19.245 1.00 0.00 H new ATOM 527 N LYS A 34 -0.207 22.808 -20.235 1.00 0.00 N ATOM 528 CA LYS A 34 -1.052 23.437 -21.238 1.00 0.00 C ATOM 529 C LYS A 34 -2.460 22.843 -21.154 1.00 0.00 C ATOM 530 O LYS A 34 -3.440 23.577 -21.034 1.00 0.00 O ATOM 531 CB LYS A 34 -0.416 23.320 -22.624 1.00 0.00 C ATOM 532 CG LYS A 34 -0.939 24.410 -23.561 1.00 0.00 C ATOM 533 CD LYS A 34 -0.134 25.702 -23.401 1.00 0.00 C ATOM 534 CE LYS A 34 -1.057 26.922 -23.377 1.00 0.00 C ATOM 535 NZ LYS A 34 -0.861 27.746 -24.591 1.00 0.00 N ATOM 0 H LYS A 34 0.279 21.969 -20.552 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.144 24.506 -21.045 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.668 23.398 -22.538 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.632 22.338 -23.046 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.880 24.066 -24.594 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.990 24.604 -23.349 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.446 25.662 -22.479 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.578 25.796 -24.221 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.096 26.598 -23.314 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.856 27.520 -22.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.495 28.569 -24.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.126 28.071 -24.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.076 27.177 -25.435 1.00 0.00 H new ATOM 549 N PHE A 35 -2.516 21.522 -21.224 1.00 0.00 N ATOM 550 CA PHE A 35 -3.788 20.822 -21.159 1.00 0.00 C ATOM 551 C PHE A 35 -4.274 20.703 -19.713 1.00 0.00 C ATOM 552 O PHE A 35 -5.280 20.048 -19.445 1.00 0.00 O ATOM 553 CB PHE A 35 -3.556 19.419 -21.724 1.00 0.00 C ATOM 554 CG PHE A 35 -4.030 18.292 -20.804 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.230 17.857 -19.793 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.251 17.725 -20.997 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.670 16.811 -18.940 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.690 16.679 -20.143 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.891 16.244 -19.134 1.00 0.00 C ATOM 0 H PHE A 35 -1.701 20.917 -21.325 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.543 21.368 -21.724 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.071 19.334 -22.681 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.492 19.289 -21.922 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.260 18.307 -19.639 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.886 18.070 -21.799 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.035 16.466 -18.137 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.660 16.229 -20.296 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.225 15.448 -18.486 1.00 0.00 H new ATOM 569 N LEU A 36 -3.537 21.346 -18.819 1.00 0.00 N ATOM 570 CA LEU A 36 -3.882 21.321 -17.408 1.00 0.00 C ATOM 571 C LEU A 36 -5.345 21.732 -17.236 1.00 0.00 C ATOM 572 O LEU A 36 -6.051 21.190 -16.388 1.00 0.00 O ATOM 573 CB LEU A 36 -2.904 22.178 -16.603 1.00 0.00 C ATOM 574 CG LEU A 36 -2.427 21.585 -15.275 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.921 21.785 -15.094 1.00 0.00 C ATOM 576 CD2 LEU A 36 -3.226 22.156 -14.101 1.00 0.00 C ATOM 0 H LEU A 36 -2.702 21.887 -19.045 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.787 20.310 -17.011 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.030 22.377 -17.224 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.376 23.139 -16.400 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.609 20.510 -15.296 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.609 21.354 -14.143 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.388 21.293 -15.908 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.692 22.851 -15.103 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.867 21.718 -13.170 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.099 23.238 -14.066 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.282 21.919 -14.230 1.00 0.00 H new ATOM 588 N GLU A 37 -5.758 22.688 -18.057 1.00 0.00 N ATOM 589 CA GLU A 37 -7.124 23.178 -18.006 1.00 0.00 C ATOM 590 C GLU A 37 -8.055 22.238 -18.776 1.00 0.00 C ATOM 591 O GLU A 37 -9.257 22.199 -18.517 1.00 0.00 O ATOM 592 CB GLU A 37 -7.215 24.605 -18.549 1.00 0.00 C ATOM 593 CG GLU A 37 -8.343 25.383 -17.865 1.00 0.00 C ATOM 594 CD GLU A 37 -9.343 25.915 -18.892 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.694 25.133 -19.801 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.735 27.093 -18.745 1.00 0.00 O ATOM 0 H GLU A 37 -5.170 23.135 -18.760 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.443 23.200 -16.964 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.267 25.119 -18.391 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.388 24.578 -19.625 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.856 24.736 -17.154 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.924 26.213 -17.296 1.00 0.00 H new ATOM 603 N GLU A 38 -7.463 21.505 -19.707 1.00 0.00 N ATOM 604 CA GLU A 38 -8.223 20.568 -20.517 1.00 0.00 C ATOM 605 C GLU A 38 -8.407 19.246 -19.768 1.00 0.00 C ATOM 606 O GLU A 38 -9.072 18.336 -20.261 1.00 0.00 O ATOM 607 CB GLU A 38 -7.549 20.341 -21.872 1.00 0.00 C ATOM 608 CG GLU A 38 -8.218 21.177 -22.964 1.00 0.00 C ATOM 609 CD GLU A 38 -7.427 22.458 -23.236 1.00 0.00 C ATOM 610 OE1 GLU A 38 -6.991 23.077 -22.242 1.00 0.00 O ATOM 611 OE2 GLU A 38 -7.276 22.788 -24.433 1.00 0.00 O ATOM 0 H GLU A 38 -6.466 21.541 -19.919 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.207 20.997 -20.705 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.493 20.602 -21.805 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.600 19.284 -22.135 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.294 20.591 -23.880 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.234 21.430 -22.662 1.00 0.00 H new ATOM 618 N HIS A 39 -7.806 19.184 -18.589 1.00 0.00 N ATOM 619 CA HIS A 39 -7.895 17.988 -17.766 1.00 0.00 C ATOM 620 C HIS A 39 -9.121 18.082 -16.857 1.00 0.00 C ATOM 621 O HIS A 39 -9.304 19.075 -16.154 1.00 0.00 O ATOM 622 CB HIS A 39 -6.596 17.765 -16.989 1.00 0.00 C ATOM 623 CG HIS A 39 -6.550 16.460 -16.231 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.314 16.393 -14.869 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.713 15.175 -16.658 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.336 15.119 -14.504 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.582 14.367 -15.614 1.00 0.00 N ATOM 0 H HIS A 39 -7.256 19.941 -18.184 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.024 17.113 -18.402 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.758 17.799 -17.685 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.460 18.587 -16.286 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.151 17.188 -14.251 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.914 14.867 -17.673 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.185 14.743 -13.503 1.00 0.00 H new ATOM 635 N PRO A 40 -9.952 17.006 -16.900 1.00 0.00 N ATOM 636 CA PRO A 40 -11.156 16.956 -16.088 1.00 0.00 C ATOM 637 C PRO A 40 -10.818 16.680 -14.622 1.00 0.00 C ATOM 638 O PRO A 40 -11.696 16.714 -13.761 1.00 0.00 O ATOM 639 CB PRO A 40 -12.010 15.867 -16.716 1.00 0.00 C ATOM 640 CG PRO A 40 -11.064 15.033 -17.565 1.00 0.00 C ATOM 641 CD PRO A 40 -9.768 15.811 -17.719 1.00 0.00 C ATOM 0 HA PRO A 40 -11.692 17.905 -16.073 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.489 15.256 -15.951 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.805 16.297 -17.325 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.877 14.069 -17.093 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.505 14.830 -18.541 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.913 15.226 -17.380 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.583 16.070 -18.762 1.00 0.00 H new ATOM 649 N GLY A 41 -9.543 16.413 -14.382 1.00 0.00 N ATOM 650 CA GLY A 41 -9.077 16.131 -13.034 1.00 0.00 C ATOM 651 C GLY A 41 -9.171 17.376 -12.150 1.00 0.00 C ATOM 652 O GLY A 41 -10.128 17.534 -11.394 1.00 0.00 O ATOM 0 H GLY A 41 -8.817 16.386 -15.098 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.672 15.327 -12.600 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.045 15.782 -13.068 1.00 0.00 H new ATOM 656 N GLY A 42 -8.164 18.229 -12.275 1.00 0.00 N ATOM 657 CA GLY A 42 -8.121 19.454 -11.497 1.00 0.00 C ATOM 658 C GLY A 42 -6.942 20.332 -11.922 1.00 0.00 C ATOM 659 O GLY A 42 -6.348 20.112 -12.976 1.00 0.00 O ATOM 0 H GLY A 42 -7.372 18.095 -12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.053 20.004 -11.626 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.036 19.213 -10.437 1.00 0.00 H new ATOM 663 N GLU A 43 -6.639 21.309 -11.080 1.00 0.00 N ATOM 664 CA GLU A 43 -5.542 22.222 -11.355 1.00 0.00 C ATOM 665 C GLU A 43 -4.504 22.156 -10.234 1.00 0.00 C ATOM 666 O GLU A 43 -3.344 22.517 -10.435 1.00 0.00 O ATOM 667 CB GLU A 43 -6.054 23.651 -11.547 1.00 0.00 C ATOM 668 CG GLU A 43 -4.932 24.668 -11.326 1.00 0.00 C ATOM 669 CD GLU A 43 -5.463 26.100 -11.429 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.383 26.422 -10.647 1.00 0.00 O ATOM 671 OE2 GLU A 43 -4.936 26.840 -12.288 1.00 0.00 O ATOM 0 H GLU A 43 -7.134 21.489 -10.207 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.063 21.915 -12.285 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.460 23.764 -12.552 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.869 23.846 -10.850 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.483 24.512 -10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.145 24.514 -12.065 1.00 0.00 H new ATOM 678 N GLU A 44 -4.956 21.696 -9.077 1.00 0.00 N ATOM 679 CA GLU A 44 -4.080 21.579 -7.924 1.00 0.00 C ATOM 680 C GLU A 44 -3.775 20.107 -7.635 1.00 0.00 C ATOM 681 O GLU A 44 -3.146 19.786 -6.628 1.00 0.00 O ATOM 682 CB GLU A 44 -4.692 22.262 -6.699 1.00 0.00 C ATOM 683 CG GLU A 44 -5.912 21.490 -6.193 1.00 0.00 C ATOM 684 CD GLU A 44 -7.202 22.045 -6.797 1.00 0.00 C ATOM 685 OE1 GLU A 44 -7.577 23.170 -6.400 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.786 21.333 -7.642 1.00 0.00 O ATOM 0 H GLU A 44 -5.918 21.400 -8.913 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.143 22.086 -8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.947 22.331 -5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.982 23.281 -6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.811 20.435 -6.449 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.960 21.551 -5.106 1.00 0.00 H new ATOM 693 N VAL A 45 -4.234 19.253 -8.538 1.00 0.00 N ATOM 694 CA VAL A 45 -4.019 17.824 -8.393 1.00 0.00 C ATOM 695 C VAL A 45 -2.851 17.395 -9.284 1.00 0.00 C ATOM 696 O VAL A 45 -1.977 16.644 -8.852 1.00 0.00 O ATOM 697 CB VAL A 45 -5.312 17.065 -8.698 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.334 17.978 -9.380 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.033 15.823 -9.547 1.00 0.00 C ATOM 0 H VAL A 45 -4.754 19.524 -9.373 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.751 17.582 -7.365 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.737 16.733 -7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.244 17.415 -9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.567 18.817 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.919 18.353 -10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.969 15.302 -9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.574 16.122 -10.489 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.357 15.159 -9.009 1.00 0.00 H new ATOM 709 N LEU A 46 -2.873 17.892 -10.513 1.00 0.00 N ATOM 710 CA LEU A 46 -1.826 17.571 -11.468 1.00 0.00 C ATOM 711 C LEU A 46 -0.477 18.033 -10.916 1.00 0.00 C ATOM 712 O LEU A 46 0.439 17.229 -10.749 1.00 0.00 O ATOM 713 CB LEU A 46 -2.160 18.153 -12.843 1.00 0.00 C ATOM 714 CG LEU A 46 -3.629 18.080 -13.264 1.00 0.00 C ATOM 715 CD1 LEU A 46 -3.809 18.547 -14.710 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.195 16.677 -13.039 1.00 0.00 C ATOM 0 H LEU A 46 -3.599 18.514 -10.869 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.758 16.493 -11.611 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.850 19.198 -12.858 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.562 17.632 -13.591 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.200 18.761 -12.633 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.862 18.485 -14.984 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.470 19.579 -14.804 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.224 17.910 -15.373 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.240 16.653 -13.346 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.627 15.957 -13.628 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.122 16.420 -11.982 1.00 0.00 H new ATOM 728 N ARG A 47 -0.395 19.328 -10.646 1.00 0.00 N ATOM 729 CA ARG A 47 0.827 19.907 -10.116 1.00 0.00 C ATOM 730 C ARG A 47 1.140 19.317 -8.740 1.00 0.00 C ATOM 731 O ARG A 47 2.302 19.246 -8.341 1.00 0.00 O ATOM 732 CB ARG A 47 0.709 21.428 -9.996 1.00 0.00 C ATOM 733 CG ARG A 47 -0.602 21.824 -9.314 1.00 0.00 C ATOM 734 CD ARG A 47 -0.551 23.274 -8.828 1.00 0.00 C ATOM 735 NE ARG A 47 -0.360 23.311 -7.361 1.00 0.00 N ATOM 736 CZ ARG A 47 -0.704 24.346 -6.585 1.00 0.00 C ATOM 737 NH1 ARG A 47 -1.260 25.437 -7.129 1.00 0.00 N ATOM 738 NH2 ARG A 47 -0.493 24.291 -5.262 1.00 0.00 N ATOM 0 H ARG A 47 -1.156 19.993 -10.785 1.00 0.00 H new ATOM 0 HA ARG A 47 1.634 19.670 -10.809 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.552 21.818 -9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.758 21.880 -10.987 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.431 21.699 -10.011 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.792 21.160 -8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.264 23.803 -9.322 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.474 23.788 -9.096 1.00 0.00 H new ATOM 0 HE ARG A 47 0.060 22.497 -6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.421 25.479 -8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.522 26.225 -6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.070 23.461 -4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.755 25.080 -4.671 1.00 0.00 H new ATOM 752 N GLU A 48 0.084 18.907 -8.053 1.00 0.00 N ATOM 753 CA GLU A 48 0.231 18.325 -6.729 1.00 0.00 C ATOM 754 C GLU A 48 1.336 17.267 -6.735 1.00 0.00 C ATOM 755 O GLU A 48 1.946 16.994 -5.703 1.00 0.00 O ATOM 756 CB GLU A 48 -1.091 17.734 -6.239 1.00 0.00 C ATOM 757 CG GLU A 48 -1.442 18.256 -4.844 1.00 0.00 C ATOM 758 CD GLU A 48 -0.247 18.130 -3.896 1.00 0.00 C ATOM 759 OE1 GLU A 48 -0.052 17.011 -3.374 1.00 0.00 O ATOM 760 OE2 GLU A 48 0.444 19.156 -3.715 1.00 0.00 O ATOM 0 H GLU A 48 -0.878 18.966 -8.388 1.00 0.00 H new ATOM 0 HA GLU A 48 0.515 19.116 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.888 17.988 -6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.021 16.646 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.751 19.299 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.288 17.697 -4.445 1.00 0.00 H new ATOM 767 N GLN A 49 1.560 16.698 -7.912 1.00 0.00 N ATOM 768 CA GLN A 49 2.581 15.676 -8.065 1.00 0.00 C ATOM 769 C GLN A 49 3.629 16.122 -9.087 1.00 0.00 C ATOM 770 O GLN A 49 4.305 15.290 -9.692 1.00 0.00 O ATOM 771 CB GLN A 49 1.959 14.336 -8.469 1.00 0.00 C ATOM 772 CG GLN A 49 1.107 13.764 -7.333 1.00 0.00 C ATOM 773 CD GLN A 49 1.965 13.459 -6.104 1.00 0.00 C ATOM 774 OE1 GLN A 49 2.341 14.336 -5.344 1.00 0.00 O ATOM 775 NE2 GLN A 49 2.251 12.169 -5.952 1.00 0.00 N ATOM 0 H GLN A 49 1.052 16.926 -8.767 1.00 0.00 H new ATOM 0 HA GLN A 49 3.075 15.536 -7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.343 14.470 -9.359 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.747 13.629 -8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.324 14.475 -7.067 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.610 12.854 -7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.904 11.487 -6.626 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.818 11.862 -5.161 1.00 0.00 H new ATOM 784 N ALA A 50 3.733 17.433 -9.247 1.00 0.00 N ATOM 785 CA ALA A 50 4.687 17.999 -10.184 1.00 0.00 C ATOM 786 C ALA A 50 6.057 18.107 -9.509 1.00 0.00 C ATOM 787 O ALA A 50 6.598 19.202 -9.366 1.00 0.00 O ATOM 788 CB ALA A 50 4.175 19.353 -10.680 1.00 0.00 C ATOM 0 H ALA A 50 3.172 18.120 -8.743 1.00 0.00 H new ATOM 0 HA ALA A 50 4.798 17.353 -11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.891 19.777 -11.383 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.214 19.219 -11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.054 20.029 -9.833 1.00 0.00 H new ATOM 794 N GLY A 51 6.576 16.955 -9.110 1.00 0.00 N ATOM 795 CA GLY A 51 7.871 16.906 -8.453 1.00 0.00 C ATOM 796 C GLY A 51 8.361 15.463 -8.314 1.00 0.00 C ATOM 797 O GLY A 51 9.551 15.191 -8.462 1.00 0.00 O ATOM 0 H GLY A 51 6.123 16.049 -9.229 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.595 17.486 -9.025 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.801 17.366 -7.468 1.00 0.00 H new ATOM 801 N GLY A 52 7.418 14.576 -8.031 1.00 0.00 N ATOM 802 CA GLY A 52 7.738 13.169 -7.869 1.00 0.00 C ATOM 803 C GLY A 52 7.143 12.337 -9.008 1.00 0.00 C ATOM 804 O GLY A 52 7.229 12.722 -10.173 1.00 0.00 O ATOM 0 H GLY A 52 6.432 14.805 -7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.820 13.039 -7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.353 12.812 -6.914 1.00 0.00 H new ATOM 808 N ASP A 53 6.554 11.212 -8.631 1.00 0.00 N ATOM 809 CA ASP A 53 5.945 10.323 -9.606 1.00 0.00 C ATOM 810 C ASP A 53 4.424 10.371 -9.453 1.00 0.00 C ATOM 811 O ASP A 53 3.890 10.005 -8.407 1.00 0.00 O ATOM 812 CB ASP A 53 6.397 8.878 -9.391 1.00 0.00 C ATOM 813 CG ASP A 53 5.792 8.186 -8.169 1.00 0.00 C ATOM 814 OD1 ASP A 53 5.651 8.877 -7.137 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.481 6.981 -8.295 1.00 0.00 O ATOM 0 H ASP A 53 6.485 10.895 -7.664 1.00 0.00 H new ATOM 0 HA ASP A 53 6.250 10.652 -10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.145 8.299 -10.279 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.483 8.863 -9.298 1.00 0.00 H new ATOM 820 N ALA A 54 3.768 10.825 -10.511 1.00 0.00 N ATOM 821 CA ALA A 54 2.318 10.924 -10.508 1.00 0.00 C ATOM 822 C ALA A 54 1.720 9.612 -11.019 1.00 0.00 C ATOM 823 O ALA A 54 0.535 9.348 -10.822 1.00 0.00 O ATOM 824 CB ALA A 54 1.887 12.128 -11.347 1.00 0.00 C ATOM 0 H ALA A 54 4.214 11.129 -11.377 1.00 0.00 H new ATOM 0 HA ALA A 54 1.946 11.083 -9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.800 12.202 -11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.314 13.038 -10.924 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.240 12.003 -12.371 1.00 0.00 H new ATOM 830 N THR A 55 2.566 8.825 -11.666 1.00 0.00 N ATOM 831 CA THR A 55 2.136 7.548 -12.208 1.00 0.00 C ATOM 832 C THR A 55 1.383 6.745 -11.146 1.00 0.00 C ATOM 833 O THR A 55 0.541 5.910 -11.474 1.00 0.00 O ATOM 834 CB THR A 55 3.370 6.826 -12.753 1.00 0.00 C ATOM 835 OG1 THR A 55 2.963 5.463 -12.846 1.00 0.00 O ATOM 836 CG2 THR A 55 4.526 6.801 -11.751 1.00 0.00 C ATOM 0 H THR A 55 3.548 9.047 -11.827 1.00 0.00 H new ATOM 0 HA THR A 55 1.432 7.684 -13.029 1.00 0.00 H new ATOM 0 HB THR A 55 3.697 7.312 -13.672 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.704 4.923 -13.193 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.376 6.277 -12.189 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.817 7.822 -11.506 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.210 6.286 -10.844 1.00 0.00 H new ATOM 844 N GLU A 56 1.713 7.024 -9.893 1.00 0.00 N ATOM 845 CA GLU A 56 1.079 6.338 -8.780 1.00 0.00 C ATOM 846 C GLU A 56 -0.351 6.852 -8.587 1.00 0.00 C ATOM 847 O GLU A 56 -1.266 6.069 -8.341 1.00 0.00 O ATOM 848 CB GLU A 56 1.897 6.499 -7.499 1.00 0.00 C ATOM 849 CG GLU A 56 2.420 7.930 -7.357 1.00 0.00 C ATOM 850 CD GLU A 56 2.293 8.419 -5.912 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.207 8.944 -5.585 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.285 8.258 -5.170 1.00 0.00 O ATOM 0 H GLU A 56 2.412 7.717 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 56 1.035 5.274 -9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.281 6.246 -6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.734 5.801 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.464 7.972 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.862 8.592 -8.019 1.00 0.00 H new ATOM 859 N ASN A 57 -0.496 8.163 -8.705 1.00 0.00 N ATOM 860 CA ASN A 57 -1.797 8.790 -8.546 1.00 0.00 C ATOM 861 C ASN A 57 -2.552 8.733 -9.875 1.00 0.00 C ATOM 862 O ASN A 57 -3.777 8.628 -9.893 1.00 0.00 O ATOM 863 CB ASN A 57 -1.655 10.259 -8.146 1.00 0.00 C ATOM 864 CG ASN A 57 -1.551 10.407 -6.626 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.099 9.520 -5.920 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.995 11.572 -6.164 1.00 0.00 N ATOM 0 H ASN A 57 0.266 8.809 -8.909 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.336 8.254 -7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.769 10.684 -8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.513 10.824 -8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.970 11.767 -5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.361 12.271 -6.810 1.00 0.00 H new ATOM 873 N PHE A 58 -1.788 8.803 -10.957 1.00 0.00 N ATOM 874 CA PHE A 58 -2.370 8.760 -12.287 1.00 0.00 C ATOM 875 C PHE A 58 -2.972 7.384 -12.578 1.00 0.00 C ATOM 876 O PHE A 58 -4.037 7.285 -13.186 1.00 0.00 O ATOM 877 CB PHE A 58 -1.237 9.029 -13.280 1.00 0.00 C ATOM 878 CG PHE A 58 -1.584 8.682 -14.729 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.765 7.385 -15.094 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.711 9.673 -15.652 1.00 0.00 C ATOM 881 CE1 PHE A 58 -2.087 7.064 -16.439 1.00 0.00 C ATOM 882 CE2 PHE A 58 -2.034 9.352 -16.998 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.214 8.054 -17.362 1.00 0.00 C ATOM 0 H PHE A 58 -0.772 8.889 -10.938 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.167 9.500 -12.369 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.962 10.082 -13.225 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.360 8.455 -12.980 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.664 6.599 -14.361 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.566 10.703 -15.362 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.231 6.034 -16.729 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.136 10.138 -17.731 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.458 7.810 -18.385 1.00 0.00 H new ATOM 893 N GLU A 59 -2.264 6.357 -12.132 1.00 0.00 N ATOM 894 CA GLU A 59 -2.715 4.991 -12.338 1.00 0.00 C ATOM 895 C GLU A 59 -3.825 4.644 -11.344 1.00 0.00 C ATOM 896 O GLU A 59 -4.616 3.733 -11.585 1.00 0.00 O ATOM 897 CB GLU A 59 -1.549 4.007 -12.225 1.00 0.00 C ATOM 898 CG GLU A 59 -1.067 3.892 -10.776 1.00 0.00 C ATOM 899 CD GLU A 59 -1.994 2.991 -9.959 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.406 1.949 -10.513 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.269 3.363 -8.798 1.00 0.00 O ATOM 0 H GLU A 59 -1.381 6.443 -11.629 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.119 4.909 -13.347 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.859 3.027 -12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.727 4.337 -12.860 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.054 3.490 -10.757 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.025 4.883 -10.323 1.00 0.00 H new ATOM 908 N ASP A 60 -3.850 5.388 -10.249 1.00 0.00 N ATOM 909 CA ASP A 60 -4.849 5.170 -9.217 1.00 0.00 C ATOM 910 C ASP A 60 -6.241 5.422 -9.802 1.00 0.00 C ATOM 911 O ASP A 60 -7.099 4.541 -9.773 1.00 0.00 O ATOM 912 CB ASP A 60 -4.649 6.130 -8.043 1.00 0.00 C ATOM 913 CG ASP A 60 -5.900 6.396 -7.203 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.693 7.265 -7.626 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.034 5.724 -6.158 1.00 0.00 O ATOM 0 H ASP A 60 -3.193 6.144 -10.053 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.750 4.144 -8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.872 5.728 -7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.281 7.080 -8.429 1.00 0.00 H new ATOM 920 N VAL A 61 -6.421 6.629 -10.318 1.00 0.00 N ATOM 921 CA VAL A 61 -7.693 7.008 -10.908 1.00 0.00 C ATOM 922 C VAL A 61 -8.010 6.070 -12.074 1.00 0.00 C ATOM 923 O VAL A 61 -9.157 5.979 -12.509 1.00 0.00 O ATOM 924 CB VAL A 61 -7.662 8.482 -11.317 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.287 8.870 -11.865 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.764 8.794 -12.332 1.00 0.00 C ATOM 0 H VAL A 61 -5.707 7.357 -10.340 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.497 6.904 -10.180 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.849 9.080 -10.425 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.292 9.923 -12.148 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.530 8.704 -11.099 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.058 8.260 -12.739 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.719 9.848 -12.605 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.622 8.182 -13.223 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.737 8.575 -11.892 1.00 0.00 H new ATOM 936 N GLY A 62 -6.971 5.396 -12.548 1.00 0.00 N ATOM 937 CA GLY A 62 -7.124 4.469 -13.656 1.00 0.00 C ATOM 938 C GLY A 62 -7.480 5.210 -14.947 1.00 0.00 C ATOM 939 O GLY A 62 -8.641 5.238 -15.351 1.00 0.00 O ATOM 0 H GLY A 62 -6.021 5.474 -12.185 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.199 3.910 -13.797 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.903 3.743 -13.423 1.00 0.00 H new ATOM 943 N HIS A 63 -6.458 5.791 -15.559 1.00 0.00 N ATOM 944 CA HIS A 63 -6.648 6.530 -16.795 1.00 0.00 C ATOM 945 C HIS A 63 -6.861 5.550 -17.951 1.00 0.00 C ATOM 946 O HIS A 63 -6.204 4.513 -18.020 1.00 0.00 O ATOM 947 CB HIS A 63 -5.482 7.490 -17.039 1.00 0.00 C ATOM 948 CG HIS A 63 -5.489 8.706 -16.143 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.686 8.814 -15.020 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.207 9.862 -16.215 1.00 0.00 C ATOM 951 CE1 HIS A 63 -4.920 9.987 -14.451 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.864 10.635 -15.192 1.00 0.00 N ATOM 0 H HIS A 63 -5.496 5.765 -15.221 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.542 7.149 -16.719 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.545 6.951 -16.896 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.506 7.817 -18.078 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.027 8.110 -14.688 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.933 10.108 -16.976 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.446 10.364 -13.557 1.00 0.00 H new ATOM 960 N SER A 64 -7.783 5.914 -18.830 1.00 0.00 N ATOM 961 CA SER A 64 -8.091 5.081 -19.980 1.00 0.00 C ATOM 962 C SER A 64 -6.798 4.656 -20.680 1.00 0.00 C ATOM 963 O SER A 64 -5.784 5.345 -20.589 1.00 0.00 O ATOM 964 CB SER A 64 -9.009 5.812 -20.960 1.00 0.00 C ATOM 965 OG SER A 64 -9.537 4.936 -21.953 1.00 0.00 O ATOM 0 H SER A 64 -8.327 6.775 -18.769 1.00 0.00 H new ATOM 0 HA SER A 64 -8.615 4.193 -19.628 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.830 6.275 -20.412 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.455 6.617 -21.444 1.00 0.00 H new ATOM 0 HG SER A 64 -10.119 5.441 -22.558 1.00 0.00 H new ATOM 971 N THR A 65 -6.878 3.523 -21.362 1.00 0.00 N ATOM 972 CA THR A 65 -5.727 2.998 -22.077 1.00 0.00 C ATOM 973 C THR A 65 -5.460 3.822 -23.337 1.00 0.00 C ATOM 974 O THR A 65 -4.326 3.892 -23.810 1.00 0.00 O ATOM 975 CB THR A 65 -5.983 1.516 -22.364 1.00 0.00 C ATOM 976 OG1 THR A 65 -4.858 1.113 -23.138 1.00 0.00 O ATOM 977 CG2 THR A 65 -7.176 1.299 -23.298 1.00 0.00 C ATOM 0 H THR A 65 -7.722 2.954 -21.435 1.00 0.00 H new ATOM 0 HA THR A 65 -4.820 3.076 -21.477 1.00 0.00 H new ATOM 0 HB THR A 65 -6.156 0.989 -21.426 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.941 0.164 -23.367 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.314 0.231 -23.469 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.075 1.713 -22.842 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.989 1.798 -24.249 1.00 0.00 H new ATOM 985 N ASP A 66 -6.523 4.428 -23.846 1.00 0.00 N ATOM 986 CA ASP A 66 -6.418 5.246 -25.042 1.00 0.00 C ATOM 987 C ASP A 66 -6.350 6.721 -24.642 1.00 0.00 C ATOM 988 O ASP A 66 -6.636 7.602 -25.452 1.00 0.00 O ATOM 989 CB ASP A 66 -7.637 5.057 -25.947 1.00 0.00 C ATOM 990 CG ASP A 66 -7.488 3.969 -27.013 1.00 0.00 C ATOM 991 OD1 ASP A 66 -6.383 3.889 -27.592 1.00 0.00 O ATOM 992 OD2 ASP A 66 -8.483 3.242 -27.225 1.00 0.00 O ATOM 0 H ASP A 66 -7.462 4.369 -23.451 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.519 4.943 -25.580 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.500 4.819 -25.325 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.853 6.003 -26.443 1.00 0.00 H new ATOM 997 N VAL A 67 -5.971 6.946 -23.392 1.00 0.00 N ATOM 998 CA VAL A 67 -5.863 8.299 -22.874 1.00 0.00 C ATOM 999 C VAL A 67 -4.642 8.981 -23.494 1.00 0.00 C ATOM 1000 O VAL A 67 -4.716 10.135 -23.911 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.821 8.272 -21.345 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -4.389 8.084 -20.840 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -6.448 9.538 -20.757 1.00 0.00 C ATOM 0 H VAL A 67 -5.735 6.213 -22.723 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.739 8.886 -23.151 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.410 7.419 -21.008 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.387 8.068 -19.750 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.991 7.142 -21.217 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.768 8.908 -21.192 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.405 9.493 -19.669 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.898 10.412 -21.106 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.487 9.611 -21.077 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.546 8.238 -23.537 1.00 0.00 N ATOM 1014 CA ARG A 68 -2.311 8.756 -24.099 1.00 0.00 C ATOM 1015 C ARG A 68 -2.608 9.622 -25.325 1.00 0.00 C ATOM 1016 O ARG A 68 -1.971 10.654 -25.528 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.369 7.620 -24.502 1.00 0.00 C ATOM 1018 CG ARG A 68 -0.021 8.166 -24.975 1.00 0.00 C ATOM 1019 CD ARG A 68 0.797 7.078 -25.675 1.00 0.00 C ATOM 1020 NE ARG A 68 0.317 6.899 -27.063 1.00 0.00 N ATOM 1021 CZ ARG A 68 0.863 6.048 -27.942 1.00 0.00 C ATOM 1022 NH1 ARG A 68 1.910 5.293 -27.583 1.00 0.00 N ATOM 1023 NH2 ARG A 68 0.362 5.951 -29.181 1.00 0.00 N ATOM 0 H ARG A 68 -3.488 7.280 -23.191 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.826 9.360 -23.332 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.217 6.951 -23.655 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.825 7.029 -25.297 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.182 9.001 -25.657 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.537 8.554 -24.123 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.852 7.351 -25.679 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.712 6.139 -25.128 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.479 7.458 -27.370 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.292 5.366 -26.640 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.325 4.645 -28.253 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.435 6.525 -29.455 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.778 5.303 -29.850 1.00 0.00 H new ATOM 1037 N GLU A 69 -3.576 9.170 -26.108 1.00 0.00 N ATOM 1038 CA GLU A 69 -3.965 9.890 -27.309 1.00 0.00 C ATOM 1039 C GLU A 69 -4.034 11.392 -27.026 1.00 0.00 C ATOM 1040 O GLU A 69 -3.842 12.206 -27.928 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.298 9.372 -27.851 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.476 10.105 -27.205 1.00 0.00 C ATOM 1043 CD GLU A 69 -7.788 9.359 -27.451 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -7.720 8.116 -27.566 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -8.829 10.047 -27.518 1.00 0.00 O ATOM 0 H GLU A 69 -4.103 8.314 -25.934 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.209 9.718 -28.075 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.331 9.505 -28.932 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.381 8.302 -27.659 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.304 10.202 -26.133 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.546 11.115 -27.609 1.00 0.00 H new ATOM 1052 N LEU A 70 -4.311 11.714 -25.772 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.408 13.104 -25.359 1.00 0.00 C ATOM 1054 C LEU A 70 -3.021 13.747 -25.417 1.00 0.00 C ATOM 1055 O LEU A 70 -2.746 14.562 -26.297 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.079 13.211 -23.989 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.562 13.590 -23.995 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.743 15.088 -24.242 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.339 12.744 -25.005 1.00 0.00 C ATOM 0 H LEU A 70 -4.472 11.036 -25.027 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.047 13.661 -26.045 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.971 12.254 -23.478 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.538 13.950 -23.398 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.975 13.374 -23.009 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.806 15.331 -24.241 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.242 15.650 -23.454 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.311 15.352 -25.207 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.390 13.033 -24.990 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.933 12.905 -26.004 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.249 11.690 -24.743 1.00 0.00 H new ATOM 1071 N SER A 71 -2.183 13.356 -24.468 1.00 0.00 N ATOM 1072 CA SER A 71 -0.831 13.885 -24.399 1.00 0.00 C ATOM 1073 C SER A 71 -0.036 13.449 -25.631 1.00 0.00 C ATOM 1074 O SER A 71 0.550 12.367 -25.646 1.00 0.00 O ATOM 1075 CB SER A 71 -0.125 13.426 -23.123 1.00 0.00 C ATOM 1076 OG SER A 71 0.116 12.022 -23.121 1.00 0.00 O ATOM 0 H SER A 71 -2.414 12.679 -23.741 1.00 0.00 H new ATOM 0 HA SER A 71 -0.890 14.973 -24.378 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.822 13.956 -23.022 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.732 13.691 -22.258 1.00 0.00 H new ATOM 0 HG SER A 71 0.524 11.759 -23.972 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.040 14.314 -26.636 1.00 0.00 N ATOM 1083 CA LYS A 72 0.673 14.031 -27.870 1.00 0.00 C ATOM 1084 C LYS A 72 1.840 15.011 -28.014 1.00 0.00 C ATOM 1085 O LYS A 72 2.999 14.626 -27.872 1.00 0.00 O ATOM 1086 CB LYS A 72 -0.289 14.041 -29.059 1.00 0.00 C ATOM 1087 CG LYS A 72 -0.126 12.778 -29.906 1.00 0.00 C ATOM 1088 CD LYS A 72 -0.633 11.544 -29.156 1.00 0.00 C ATOM 1089 CE LYS A 72 -0.356 10.266 -29.950 1.00 0.00 C ATOM 1090 NZ LYS A 72 -0.216 9.110 -29.037 1.00 0.00 N ATOM 0 H LYS A 72 -0.526 15.211 -26.620 1.00 0.00 H new ATOM 0 HA LYS A 72 1.099 13.028 -27.844 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.316 14.113 -28.700 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.104 14.922 -29.674 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.674 12.890 -30.841 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.924 12.644 -30.166 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.149 11.483 -28.181 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.704 11.639 -28.975 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.168 10.085 -30.654 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.554 10.386 -30.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.587 8.523 -29.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.050 9.451 -28.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.087 8.542 -29.059 1.00 0.00 H new ATOM 1104 N THR A 73 1.492 16.258 -28.296 1.00 0.00 N ATOM 1105 CA THR A 73 2.497 17.295 -28.462 1.00 0.00 C ATOM 1106 C THR A 73 2.929 17.841 -27.099 1.00 0.00 C ATOM 1107 O THR A 73 4.016 18.401 -26.968 1.00 0.00 O ATOM 1108 CB THR A 73 1.920 18.366 -29.389 1.00 0.00 C ATOM 1109 OG1 THR A 73 2.199 17.878 -30.699 1.00 0.00 O ATOM 1110 CG2 THR A 73 2.692 19.686 -29.312 1.00 0.00 C ATOM 0 H THR A 73 0.529 16.574 -28.414 1.00 0.00 H new ATOM 0 HA THR A 73 3.403 16.899 -28.921 1.00 0.00 H new ATOM 0 HB THR A 73 0.875 18.541 -29.134 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.857 18.511 -31.364 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.241 20.411 -29.989 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.655 20.070 -28.293 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.730 19.518 -29.599 1.00 0.00 H new ATOM 1118 N TYR A 74 2.057 17.656 -26.119 1.00 0.00 N ATOM 1119 CA TYR A 74 2.335 18.123 -24.771 1.00 0.00 C ATOM 1120 C TYR A 74 3.564 17.419 -24.191 1.00 0.00 C ATOM 1121 O TYR A 74 4.370 18.040 -23.499 1.00 0.00 O ATOM 1122 CB TYR A 74 1.109 17.754 -23.934 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.174 18.468 -24.363 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.111 19.740 -24.895 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.394 17.840 -24.218 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.319 20.412 -25.298 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.602 18.512 -24.622 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.505 19.765 -25.142 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.646 20.400 -25.523 1.00 0.00 O ATOM 0 H TYR A 74 1.157 17.189 -26.231 1.00 0.00 H new ATOM 0 HA TYR A 74 2.534 19.195 -24.770 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.951 16.677 -23.994 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.311 17.988 -22.889 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.844 20.231 -25.009 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.443 16.845 -23.802 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.284 21.408 -25.715 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.563 18.032 -24.514 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.416 19.818 -25.355 1.00 0.00 H new ATOM 1139 N ILE A 75 3.669 16.134 -24.494 1.00 0.00 N ATOM 1140 CA ILE A 75 4.786 15.340 -24.011 1.00 0.00 C ATOM 1141 C ILE A 75 6.065 16.177 -24.073 1.00 0.00 C ATOM 1142 O ILE A 75 6.280 16.920 -25.028 1.00 0.00 O ATOM 1143 CB ILE A 75 4.877 14.020 -24.780 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.072 12.923 -24.083 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.335 13.611 -24.997 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.857 12.325 -22.914 1.00 0.00 C ATOM 0 H ILE A 75 2.999 15.622 -25.068 1.00 0.00 H new ATOM 0 HA ILE A 75 4.635 15.065 -22.967 1.00 0.00 H new ATOM 0 HB ILE A 75 4.434 14.168 -25.765 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.129 13.333 -23.721 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.824 12.139 -24.798 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.371 12.670 -25.546 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.849 14.384 -25.568 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.826 13.487 -24.032 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.262 11.547 -22.436 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.788 11.894 -23.283 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.082 13.107 -22.189 1.00 0.00 H new ATOM 1158 N ILE A 76 6.882 16.028 -23.040 1.00 0.00 N ATOM 1159 CA ILE A 76 8.135 16.759 -22.965 1.00 0.00 C ATOM 1160 C ILE A 76 9.284 15.841 -23.385 1.00 0.00 C ATOM 1161 O ILE A 76 10.158 16.245 -24.151 1.00 0.00 O ATOM 1162 CB ILE A 76 8.314 17.372 -21.573 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.432 16.666 -20.804 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.994 17.369 -20.799 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.956 17.546 -19.668 1.00 0.00 C ATOM 0 H ILE A 76 6.700 15.411 -22.248 1.00 0.00 H new ATOM 0 HA ILE A 76 8.128 17.598 -23.660 1.00 0.00 H new ATOM 0 HB ILE A 76 8.614 18.413 -21.693 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.061 15.725 -20.398 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.247 16.420 -21.484 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.149 17.810 -19.814 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.251 17.951 -21.344 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.640 16.344 -20.687 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.750 17.021 -19.137 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.348 18.476 -20.079 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.144 17.769 -18.977 1.00 0.00 H new ATOM 1177 N GLY A 77 9.246 14.623 -22.865 1.00 0.00 N ATOM 1178 CA GLY A 77 10.274 13.644 -23.178 1.00 0.00 C ATOM 1179 C GLY A 77 10.386 12.596 -22.070 1.00 0.00 C ATOM 1180 O GLY A 77 9.489 11.771 -21.897 1.00 0.00 O ATOM 0 H GLY A 77 8.520 14.292 -22.229 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.040 13.155 -24.124 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.233 14.146 -23.307 1.00 0.00 H new ATOM 1184 N GLU A 78 11.496 12.660 -21.347 1.00 0.00 N ATOM 1185 CA GLU A 78 11.736 11.726 -20.261 1.00 0.00 C ATOM 1186 C GLU A 78 12.951 12.165 -19.442 1.00 0.00 C ATOM 1187 O GLU A 78 14.057 12.266 -19.970 1.00 0.00 O ATOM 1188 CB GLU A 78 11.920 10.302 -20.792 1.00 0.00 C ATOM 1189 CG GLU A 78 12.864 10.285 -21.997 1.00 0.00 C ATOM 1190 CD GLU A 78 12.762 8.958 -22.753 1.00 0.00 C ATOM 1191 OE1 GLU A 78 12.877 7.911 -22.080 1.00 0.00 O ATOM 1192 OE2 GLU A 78 12.573 9.021 -23.986 1.00 0.00 O ATOM 0 H GLU A 78 12.238 13.344 -21.493 1.00 0.00 H new ATOM 0 HA GLU A 78 10.862 11.726 -19.609 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.319 9.664 -20.003 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.953 9.888 -21.077 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.620 11.109 -22.667 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.890 10.439 -21.662 1.00 0.00 H new ATOM 1199 N LEU A 79 12.703 12.417 -18.165 1.00 0.00 N ATOM 1200 CA LEU A 79 13.763 12.845 -17.267 1.00 0.00 C ATOM 1201 C LEU A 79 14.931 11.861 -17.360 1.00 0.00 C ATOM 1202 O LEU A 79 14.763 10.732 -17.817 1.00 0.00 O ATOM 1203 CB LEU A 79 13.223 13.025 -15.847 1.00 0.00 C ATOM 1204 CG LEU A 79 13.311 11.799 -14.935 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.985 10.518 -15.705 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.677 11.724 -14.249 1.00 0.00 C ATOM 0 H LEU A 79 11.784 12.333 -17.731 1.00 0.00 H new ATOM 0 HA LEU A 79 14.143 13.822 -17.565 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.765 13.844 -15.375 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.179 13.330 -15.913 1.00 0.00 H new ATOM 0 HG LEU A 79 12.561 11.902 -14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.055 9.662 -15.034 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.974 10.582 -16.107 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.694 10.395 -16.524 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.714 10.844 -13.607 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.460 11.655 -15.004 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.831 12.619 -13.647 1.00 0.00 H new ATOM 1218 N HIS A 80 16.091 12.327 -16.919 1.00 0.00 N ATOM 1219 CA HIS A 80 17.287 11.503 -16.947 1.00 0.00 C ATOM 1220 C HIS A 80 16.910 10.041 -16.695 1.00 0.00 C ATOM 1221 O HIS A 80 16.076 9.751 -15.839 1.00 0.00 O ATOM 1222 CB HIS A 80 18.330 12.025 -15.957 1.00 0.00 C ATOM 1223 CG HIS A 80 19.759 11.768 -16.376 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.603 10.921 -15.679 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.480 12.253 -17.426 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.778 10.906 -16.292 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.700 11.733 -17.374 1.00 0.00 N ATOM 0 H HIS A 80 16.227 13.264 -16.541 1.00 0.00 H new ATOM 0 HA HIS A 80 17.747 11.558 -17.933 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.188 13.098 -15.827 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.158 11.561 -14.986 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.120 12.944 -18.174 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.645 10.339 -15.988 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.455 11.921 -18.034 1.00 0.00 H new ATOM 1235 N PRO A 81 17.560 9.137 -17.476 1.00 0.00 N ATOM 1236 CA PRO A 81 17.301 7.713 -17.346 1.00 0.00 C ATOM 1237 C PRO A 81 17.959 7.149 -16.085 1.00 0.00 C ATOM 1238 O PRO A 81 17.549 6.106 -15.579 1.00 0.00 O ATOM 1239 CB PRO A 81 17.841 7.096 -18.625 1.00 0.00 C ATOM 1240 CG PRO A 81 18.795 8.124 -19.213 1.00 0.00 C ATOM 1241 CD PRO A 81 18.554 9.445 -18.500 1.00 0.00 C ATOM 0 HA PRO A 81 16.241 7.487 -17.228 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.356 6.158 -18.419 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.033 6.870 -19.321 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.829 7.803 -19.084 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.627 8.232 -20.284 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.473 9.829 -18.057 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.190 10.207 -19.189 1.00 0.00 H new ATOM 1249 N ASP A 82 18.971 7.865 -15.615 1.00 0.00 N ATOM 1250 CA ASP A 82 19.691 7.449 -14.422 1.00 0.00 C ATOM 1251 C ASP A 82 18.895 7.859 -13.182 1.00 0.00 C ATOM 1252 O ASP A 82 19.054 7.269 -12.115 1.00 0.00 O ATOM 1253 CB ASP A 82 21.064 8.118 -14.347 1.00 0.00 C ATOM 1254 CG ASP A 82 22.243 7.159 -14.172 1.00 0.00 C ATOM 1255 OD1 ASP A 82 22.098 6.226 -13.353 1.00 0.00 O ATOM 1256 OD2 ASP A 82 23.261 7.379 -14.862 1.00 0.00 O ATOM 0 H ASP A 82 19.309 8.729 -16.038 1.00 0.00 H new ATOM 0 HA ASP A 82 19.819 6.367 -14.465 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.219 8.698 -15.257 1.00 0.00 H new ATOM 0 HB3 ASP A 82 21.063 8.823 -13.516 1.00 0.00 H new ATOM 1261 N ASP A 83 18.057 8.869 -13.363 1.00 0.00 N ATOM 1262 CA ASP A 83 17.236 9.367 -12.273 1.00 0.00 C ATOM 1263 C ASP A 83 15.974 8.509 -12.158 1.00 0.00 C ATOM 1264 O ASP A 83 15.582 8.119 -11.060 1.00 0.00 O ATOM 1265 CB ASP A 83 16.805 10.813 -12.522 1.00 0.00 C ATOM 1266 CG ASP A 83 17.631 11.871 -11.788 1.00 0.00 C ATOM 1267 OD1 ASP A 83 18.814 12.025 -12.159 1.00 0.00 O ATOM 1268 OD2 ASP A 83 17.061 12.500 -10.871 1.00 0.00 O ATOM 0 H ASP A 83 17.929 9.357 -14.250 1.00 0.00 H new ATOM 0 HA ASP A 83 17.827 9.321 -11.358 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.857 11.012 -13.592 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.761 10.921 -12.228 1.00 0.00 H new ATOM 1273 N ARG A 84 15.372 8.242 -13.308 1.00 0.00 N ATOM 1274 CA ARG A 84 14.163 7.438 -13.350 1.00 0.00 C ATOM 1275 C ARG A 84 14.427 6.050 -12.763 1.00 0.00 C ATOM 1276 O ARG A 84 13.557 5.472 -12.113 1.00 0.00 O ATOM 1277 CB ARG A 84 13.650 7.289 -14.784 1.00 0.00 C ATOM 1278 CG ARG A 84 14.727 6.688 -15.691 1.00 0.00 C ATOM 1279 CD ARG A 84 14.731 5.161 -15.599 1.00 0.00 C ATOM 1280 NE ARG A 84 14.196 4.578 -16.850 1.00 0.00 N ATOM 1281 CZ ARG A 84 14.402 3.311 -17.237 1.00 0.00 C ATOM 1282 NH1 ARG A 84 15.133 2.489 -16.474 1.00 0.00 N ATOM 1283 NH2 ARG A 84 13.878 2.868 -18.388 1.00 0.00 N ATOM 0 H ARG A 84 15.699 8.568 -14.217 1.00 0.00 H new ATOM 0 HA ARG A 84 13.405 7.949 -12.756 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.765 6.653 -14.793 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.347 8.263 -15.169 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.551 6.993 -16.722 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.705 7.076 -15.406 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.745 4.801 -15.425 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.128 4.838 -14.750 1.00 0.00 H new ATOM 0 HE ARG A 84 13.636 5.178 -17.455 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.533 2.827 -15.599 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.290 1.525 -16.768 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.322 3.495 -18.970 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.035 1.904 -18.682 1.00 0.00 H new ATOM 1297 N SER A 85 15.631 5.556 -13.014 1.00 0.00 N ATOM 1298 CA SER A 85 16.020 4.247 -12.519 1.00 0.00 C ATOM 1299 C SER A 85 16.354 4.329 -11.027 1.00 0.00 C ATOM 1300 O SER A 85 16.437 3.307 -10.349 1.00 0.00 O ATOM 1301 CB SER A 85 17.214 3.695 -13.300 1.00 0.00 C ATOM 1302 OG SER A 85 16.819 2.716 -14.257 1.00 0.00 O ATOM 0 H SER A 85 16.349 6.039 -13.554 1.00 0.00 H new ATOM 0 HA SER A 85 15.181 3.565 -12.660 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.725 4.513 -13.808 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.930 3.255 -12.605 1.00 0.00 H new ATOM 0 HG SER A 85 17.609 2.389 -14.736 1.00 0.00 H new ATOM 1308 N LYS A 86 16.534 5.556 -10.562 1.00 0.00 N ATOM 1309 CA LYS A 86 16.857 5.785 -9.164 1.00 0.00 C ATOM 1310 C LYS A 86 15.565 6.021 -8.379 1.00 0.00 C ATOM 1311 O LYS A 86 15.562 5.965 -7.149 1.00 0.00 O ATOM 1312 CB LYS A 86 17.874 6.920 -9.028 1.00 0.00 C ATOM 1313 CG LYS A 86 19.246 6.380 -8.619 1.00 0.00 C ATOM 1314 CD LYS A 86 20.089 6.036 -9.849 1.00 0.00 C ATOM 1315 CE LYS A 86 21.369 5.301 -9.447 1.00 0.00 C ATOM 1316 NZ LYS A 86 21.256 3.857 -9.754 1.00 0.00 N ATOM 0 H LYS A 86 16.462 6.402 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 86 17.336 4.905 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.957 7.454 -9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.526 7.638 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.767 7.121 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.121 5.492 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.508 5.415 -10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.343 6.949 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 86 22.221 5.726 -9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.555 5.439 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.133 3.373 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.455 3.452 -9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.100 3.730 -10.774 1.00 0.00 H new ATOM 1330 N ILE A 87 14.498 6.279 -9.120 1.00 0.00 N ATOM 1331 CA ILE A 87 13.203 6.524 -8.509 1.00 0.00 C ATOM 1332 C ILE A 87 12.623 5.200 -8.007 1.00 0.00 C ATOM 1333 O ILE A 87 11.531 5.172 -7.442 1.00 0.00 O ATOM 1334 CB ILE A 87 12.284 7.269 -9.479 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.730 8.723 -9.648 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.823 7.165 -9.041 1.00 0.00 C ATOM 1337 CD1 ILE A 87 12.378 9.551 -8.411 1.00 0.00 C ATOM 0 H ILE A 87 14.504 6.324 -10.139 1.00 0.00 H new ATOM 0 HA ILE A 87 13.308 7.176 -7.642 1.00 0.00 H new ATOM 0 HB ILE A 87 12.361 6.792 -10.456 1.00 0.00 H new ATOM 0 HG12 ILE A 87 13.806 8.760 -9.821 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.251 9.154 -10.527 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.192 7.703 -9.748 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.525 6.117 -9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.709 7.601 -8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.706 10.580 -8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.299 9.532 -8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 87 12.878 9.131 -7.538 1.00 0.00 H new ATOM 1349 N ALA A 88 13.379 4.136 -8.233 1.00 0.00 N ATOM 1350 CA ALA A 88 12.953 2.812 -7.812 1.00 0.00 C ATOM 1351 C ALA A 88 12.825 2.784 -6.287 1.00 0.00 C ATOM 1352 O ALA A 88 13.683 2.235 -5.598 1.00 0.00 O ATOM 1353 CB ALA A 88 13.943 1.768 -8.332 1.00 0.00 C ATOM 0 H ALA A 88 14.284 4.164 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 88 11.976 2.572 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.624 0.775 -8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.977 1.809 -9.421 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.935 1.975 -7.930 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -6.018 12.447 -15.558 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.354 12.220 -15.219 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.351 12.343 -18.937 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.665 12.700 -15.881 1.00 0.00 C HETATM 1364 CHD HEM A 95 -5.667 12.575 -12.166 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.568 12.298 -16.810 1.00 0.00 N HETATM 1366 C1A HEM A 95 -8.887 12.227 -16.461 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.686 12.133 -17.679 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.836 12.175 -18.719 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.513 12.289 -18.175 1.00 0.00 C HETATM 1370 CMA HEM A 95 -9.232 12.068 -20.184 1.00 0.00 C HETATM 1371 CAA HEM A 95 -11.072 11.419 -17.857 1.00 0.00 C HETATM 1372 CBA HEM A 95 -11.334 9.976 -17.367 1.00 0.00 C HETATM 1373 CGA HEM A 95 -10.092 9.096 -17.408 1.00 0.00 C HETATM 1374 O1A HEM A 95 -9.185 9.290 -16.561 1.00 0.00 O HETATM 1375 O2A HEM A 95 -10.012 8.190 -18.276 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.750 12.500 -17.094 1.00 0.00 N HETATM 1377 C1B HEM A 95 -5.080 12.441 -18.413 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.885 12.517 -19.236 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.849 12.616 -18.387 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.387 12.626 -17.027 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.780 12.469 -20.751 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.393 12.709 -18.775 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.614 13.650 -18.798 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.465 12.621 -14.279 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.145 12.703 -14.615 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.333 12.784 -13.423 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.208 12.772 -12.351 1.00 0.00 C HETATM 1388 C4C HEM A 95 -4.523 12.643 -12.899 1.00 0.00 C HETATM 1389 CMC HEM A 95 -0.850 12.906 -13.302 1.00 0.00 C HETATM 1390 CAC HEM A 95 -2.788 12.852 -10.919 1.00 0.00 C HETATM 1391 CBC HEM A 95 -2.043 12.252 -10.373 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.285 12.412 -14.002 1.00 0.00 N HETATM 1393 C1D HEM A 95 -6.946 12.472 -12.664 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.176 12.404 -11.849 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.169 12.305 -12.718 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.629 12.313 -14.056 1.00 0.00 C HETATM 1397 CMD HEM A 95 -8.237 12.451 -10.352 1.00 0.00 C HETATM 1398 CAD HEM A 95 -10.767 12.443 -12.542 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.345 11.160 -11.897 1.00 0.00 C HETATM 1400 CGD HEM A 95 -12.682 10.767 -12.527 1.00 0.00 C HETATM 1401 O1D HEM A 95 -13.518 11.554 -12.967 1.00 0.00 O HETATM 1402 O2D HEM A 95 -12.921 9.493 -12.248 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -8.502 12.595 -20.798 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -10.216 12.513 -20.328 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -9.262 11.019 -20.477 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -2.917 13.050 -21.074 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -4.685 12.887 -21.192 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.663 11.435 -21.075 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.603 13.453 -12.392 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -0.457 13.443 -14.166 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -0.405 11.912 -13.260 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -9.178 12.904 -10.040 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -7.405 13.045 -9.972 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -8.172 11.439 -9.953 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.417 13.497 -19.118 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -0.950 14.643 -18.498 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -1.857 12.444 -9.316 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -1.492 11.466 -10.889 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -12.112 9.525 -17.983 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -11.715 10.009 -16.346 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -11.294 11.431 -18.924 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.814 12.053 -17.370 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -11.479 11.318 -10.827 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -10.634 10.342 -12.012 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.234 12.614 -13.512 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -10.999 13.308 -11.920 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.425 12.131 -15.110 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.451 12.306 -20.012 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.592 12.763 -15.990 1.00 0.00 H new HETATM 0 HHD HEM A 95 -5.562 12.605 -11.092 1.00 0.00 H new HETATM 0 HAB HEM A 95 -0.956 11.762 -19.093 1.00 0.00 H new HETATM 0 HAC HEM A 95 -3.293 13.616 -10.328 1.00 0.00 H new