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 Set 1.1: A 71 SER OG : rot 180:sc= -0.182 USER MOD Set 1.2: A 95 HEM CMB :methyl 150:sc= -1.74 (180deg=-1.74) USER MOD Set 2.1: A 49 GLN : amide:sc= -2.13 K(o=-3.3,f=-5.4!) USER MOD Set 2.2: A 57 ASN : amide:sc= -1.16 X(o=-3.3,f=-3.2!) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -5.31! C(o=-4!,f=-13!) USER MOD Set 3.2: A 20 SER OG : rot -135:sc= 1.27 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 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.0096) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 21 THR OG1 : rot 58:sc= 0.507 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.924 K(o=-0.92,f=-1.5) 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 -47:sc= -0.291 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -21:sc= 0.437 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 HE2:sc= -6.37! C(o=-6.4!,f=-7.4!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.0218 (180deg=-1.31) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -3.91! (180deg=-9.11!) USER MOD Single : A 95 HEM CMD :methyl 150:sc=-0.00556 (180deg=-0.00556) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.425 13.379 -27.663 1.00 0.00 N ATOM 2 CA VAL A 4 14.041 13.875 -26.353 1.00 0.00 C ATOM 3 C VAL A 4 15.301 14.155 -25.530 1.00 0.00 C ATOM 4 O VAL A 4 16.299 13.450 -25.658 1.00 0.00 O ATOM 5 CB VAL A 4 13.093 12.884 -25.675 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.396 12.770 -24.179 1.00 0.00 C ATOM 7 CG2 VAL A 4 11.633 13.274 -25.910 1.00 0.00 C ATOM 0 HA VAL A 4 13.496 14.814 -26.445 1.00 0.00 H new ATOM 0 HB VAL A 4 13.255 11.905 -26.125 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.708 12.059 -23.721 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.420 12.424 -24.041 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.276 13.746 -23.708 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.980 12.553 -25.418 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.451 14.268 -25.500 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.426 13.280 -26.980 1.00 0.00 H new ATOM 17 N LYS A 5 15.211 15.189 -24.704 1.00 0.00 N ATOM 18 CA LYS A 5 16.332 15.571 -23.862 1.00 0.00 C ATOM 19 C LYS A 5 16.173 14.922 -22.486 1.00 0.00 C ATOM 20 O LYS A 5 15.081 14.919 -21.919 1.00 0.00 O ATOM 21 CB LYS A 5 16.467 17.095 -23.811 1.00 0.00 C ATOM 22 CG LYS A 5 17.822 17.542 -24.365 1.00 0.00 C ATOM 23 CD LYS A 5 17.691 18.856 -25.138 1.00 0.00 C ATOM 24 CE LYS A 5 18.450 18.788 -26.466 1.00 0.00 C ATOM 25 NZ LYS A 5 18.412 20.098 -27.152 1.00 0.00 N ATOM 0 H LYS A 5 14.381 15.772 -24.601 1.00 0.00 H new ATOM 0 HA LYS A 5 17.268 15.204 -24.282 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.664 17.555 -24.388 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.358 17.440 -22.783 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.531 17.667 -23.546 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.224 16.769 -25.020 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.639 19.068 -25.327 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.078 19.677 -24.535 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.484 18.495 -26.286 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.009 18.023 -27.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.931 20.034 -28.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.424 20.362 -27.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.854 20.820 -26.547 1.00 0.00 H new ATOM 39 N TYR A 6 17.279 14.389 -21.987 1.00 0.00 N ATOM 40 CA TYR A 6 17.277 13.739 -20.688 1.00 0.00 C ATOM 41 C TYR A 6 17.545 14.748 -19.570 1.00 0.00 C ATOM 42 O TYR A 6 18.697 14.996 -19.216 1.00 0.00 O ATOM 43 CB TYR A 6 18.418 12.720 -20.725 1.00 0.00 C ATOM 44 CG TYR A 6 18.039 11.384 -21.367 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.801 10.826 -21.120 1.00 0.00 C ATOM 46 CD2 TYR A 6 18.936 10.737 -22.193 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.445 9.569 -21.725 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.579 9.479 -22.798 1.00 0.00 C ATOM 49 CZ TYR A 6 17.352 8.958 -22.534 1.00 0.00 C ATOM 50 OH TYR A 6 17.014 7.770 -23.105 1.00 0.00 O ATOM 0 H TYR A 6 18.183 14.394 -22.460 1.00 0.00 H new ATOM 0 HA TYR A 6 16.310 13.276 -20.491 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.257 13.149 -21.272 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.762 12.538 -19.707 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.100 11.332 -20.473 1.00 0.00 H new ATOM 0 HD2 TYR A 6 19.905 11.174 -22.386 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.480 9.121 -21.541 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.271 8.962 -23.446 1.00 0.00 H new ATOM 0 HH TYR A 6 17.757 7.450 -23.658 1.00 0.00 H new ATOM 60 N TYR A 7 16.463 15.301 -19.043 1.00 0.00 N ATOM 61 CA TYR A 7 16.566 16.277 -17.972 1.00 0.00 C ATOM 62 C TYR A 7 16.286 15.632 -16.613 1.00 0.00 C ATOM 63 O TYR A 7 15.281 14.942 -16.445 1.00 0.00 O ATOM 64 CB TYR A 7 15.493 17.330 -18.255 1.00 0.00 C ATOM 65 CG TYR A 7 14.653 17.042 -19.501 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.568 16.192 -19.422 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.980 17.634 -20.704 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.778 15.923 -20.595 1.00 0.00 C ATOM 69 CE2 TYR A 7 14.190 17.364 -21.878 1.00 0.00 C ATOM 70 CZ TYR A 7 13.128 16.521 -21.765 1.00 0.00 C ATOM 71 OH TYR A 7 12.382 16.267 -22.873 1.00 0.00 O ATOM 0 H TYR A 7 15.509 15.091 -19.338 1.00 0.00 H new ATOM 0 HA TYR A 7 17.569 16.702 -17.936 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.831 17.401 -17.392 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.973 18.302 -18.370 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.312 15.729 -18.480 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.828 18.300 -20.765 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.926 15.261 -20.547 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.435 17.820 -22.826 1.00 0.00 H new ATOM 0 HH TYR A 7 12.748 16.763 -23.635 1.00 0.00 H new ATOM 81 N THR A 8 17.193 15.878 -15.679 1.00 0.00 N ATOM 82 CA THR A 8 17.055 15.330 -14.340 1.00 0.00 C ATOM 83 C THR A 8 16.015 16.120 -13.544 1.00 0.00 C ATOM 84 O THR A 8 15.761 17.287 -13.835 1.00 0.00 O ATOM 85 CB THR A 8 18.440 15.320 -13.688 1.00 0.00 C ATOM 86 OG1 THR A 8 18.781 16.699 -13.577 1.00 0.00 O ATOM 87 CG2 THR A 8 19.516 14.744 -14.610 1.00 0.00 C ATOM 0 H THR A 8 18.026 16.449 -15.823 1.00 0.00 H new ATOM 0 HA THR A 8 16.686 14.305 -14.369 1.00 0.00 H new ATOM 0 HB THR A 8 18.403 14.740 -12.766 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.665 16.785 -13.162 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.479 14.760 -14.100 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.260 13.717 -14.871 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.577 15.344 -15.518 1.00 0.00 H new ATOM 95 N LEU A 9 15.442 15.452 -12.554 1.00 0.00 N ATOM 96 CA LEU A 9 14.434 16.076 -11.713 1.00 0.00 C ATOM 97 C LEU A 9 14.802 17.545 -11.491 1.00 0.00 C ATOM 98 O LEU A 9 13.925 18.404 -11.421 1.00 0.00 O ATOM 99 CB LEU A 9 14.251 15.285 -10.417 1.00 0.00 C ATOM 100 CG LEU A 9 15.257 14.158 -10.173 1.00 0.00 C ATOM 101 CD1 LEU A 9 16.683 14.705 -10.086 1.00 0.00 C ATOM 102 CD2 LEU A 9 14.879 13.346 -8.932 1.00 0.00 C ATOM 0 H LEU A 9 15.657 14.484 -12.315 1.00 0.00 H new ATOM 0 HA LEU A 9 13.462 16.060 -12.207 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.304 15.980 -9.579 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.248 14.858 -10.414 1.00 0.00 H new ATOM 0 HG LEU A 9 15.224 13.480 -11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.378 13.883 -9.912 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.939 15.205 -11.020 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.750 15.417 -9.263 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.610 12.551 -8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.867 13.999 -8.059 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.890 12.908 -9.071 1.00 0.00 H new ATOM 114 N GLU A 10 16.100 17.787 -11.386 1.00 0.00 N ATOM 115 CA GLU A 10 16.595 19.137 -11.173 1.00 0.00 C ATOM 116 C GLU A 10 15.805 20.132 -12.025 1.00 0.00 C ATOM 117 O GLU A 10 15.668 21.299 -11.656 1.00 0.00 O ATOM 118 CB GLU A 10 18.092 19.225 -11.473 1.00 0.00 C ATOM 119 CG GLU A 10 18.815 20.061 -10.415 1.00 0.00 C ATOM 120 CD GLU A 10 20.307 19.720 -10.371 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.928 19.753 -11.455 1.00 0.00 O ATOM 122 OE2 GLU A 10 20.791 19.434 -9.255 1.00 0.00 O ATOM 0 H GLU A 10 16.824 17.071 -11.444 1.00 0.00 H new ATOM 0 HA GLU A 10 16.453 19.395 -10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.520 18.223 -11.505 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.244 19.668 -12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.687 21.121 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.368 19.882 -9.437 1.00 0.00 H new ATOM 129 N GLU A 11 15.305 19.636 -13.146 1.00 0.00 N ATOM 130 CA GLU A 11 14.533 20.468 -14.054 1.00 0.00 C ATOM 131 C GLU A 11 13.035 20.243 -13.834 1.00 0.00 C ATOM 132 O GLU A 11 12.290 21.193 -13.597 1.00 0.00 O ATOM 133 CB GLU A 11 14.919 20.198 -15.510 1.00 0.00 C ATOM 134 CG GLU A 11 16.433 20.028 -15.652 1.00 0.00 C ATOM 135 CD GLU A 11 17.182 21.150 -14.928 1.00 0.00 C ATOM 136 OE1 GLU A 11 16.674 22.291 -14.973 1.00 0.00 O ATOM 137 OE2 GLU A 11 18.244 20.841 -14.346 1.00 0.00 O ATOM 0 H GLU A 11 15.419 18.668 -13.447 1.00 0.00 H new ATOM 0 HA GLU A 11 14.761 21.512 -13.841 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.414 19.299 -15.864 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.581 21.022 -16.139 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.734 19.063 -15.244 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.705 20.027 -16.708 1.00 0.00 H new ATOM 144 N ILE A 12 12.639 18.982 -13.921 1.00 0.00 N ATOM 145 CA ILE A 12 11.244 18.621 -13.735 1.00 0.00 C ATOM 146 C ILE A 12 10.750 19.183 -12.401 1.00 0.00 C ATOM 147 O ILE A 12 9.611 19.635 -12.298 1.00 0.00 O ATOM 148 CB ILE A 12 11.060 17.108 -13.871 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.348 16.647 -15.301 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.668 16.681 -13.400 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.841 16.375 -15.499 1.00 0.00 C ATOM 0 H ILE A 12 13.260 18.197 -14.118 1.00 0.00 H new ATOM 0 HA ILE A 12 10.628 19.066 -14.516 1.00 0.00 H new ATOM 0 HB ILE A 12 11.785 16.616 -13.222 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.778 15.743 -15.517 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.017 17.409 -16.006 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.563 15.601 -13.507 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.538 16.956 -12.353 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.910 17.181 -14.004 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.019 16.049 -16.524 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.406 17.287 -15.305 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.163 15.595 -14.809 1.00 0.00 H new ATOM 163 N GLN A 13 11.632 19.138 -11.412 1.00 0.00 N ATOM 164 CA GLN A 13 11.299 19.637 -10.090 1.00 0.00 C ATOM 165 C GLN A 13 11.241 21.165 -10.098 1.00 0.00 C ATOM 166 O GLN A 13 10.471 21.766 -9.350 1.00 0.00 O ATOM 167 CB GLN A 13 12.298 19.133 -9.046 1.00 0.00 C ATOM 168 CG GLN A 13 13.541 20.023 -9.001 1.00 0.00 C ATOM 169 CD GLN A 13 14.497 19.576 -7.893 1.00 0.00 C ATOM 170 OE1 GLN A 13 15.119 18.528 -7.961 1.00 0.00 O ATOM 171 NE2 GLN A 13 14.580 20.426 -6.874 1.00 0.00 N ATOM 0 H GLN A 13 12.577 18.763 -11.501 1.00 0.00 H new ATOM 0 HA GLN A 13 10.315 19.257 -9.818 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.825 19.114 -8.064 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.588 18.109 -9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.052 19.988 -9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.245 21.059 -8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.031 21.286 -6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.192 20.218 -6.085 1.00 0.00 H new ATOM 180 N LYS A 14 12.065 21.753 -10.954 1.00 0.00 N ATOM 181 CA LYS A 14 12.116 23.200 -11.070 1.00 0.00 C ATOM 182 C LYS A 14 10.877 23.692 -11.820 1.00 0.00 C ATOM 183 O LYS A 14 10.665 24.896 -11.953 1.00 0.00 O ATOM 184 CB LYS A 14 13.436 23.640 -11.708 1.00 0.00 C ATOM 185 CG LYS A 14 14.228 24.544 -10.762 1.00 0.00 C ATOM 186 CD LYS A 14 14.051 26.017 -11.134 1.00 0.00 C ATOM 187 CE LYS A 14 13.716 26.857 -9.900 1.00 0.00 C ATOM 188 NZ LYS A 14 14.066 28.276 -10.129 1.00 0.00 N ATOM 0 H LYS A 14 12.702 21.253 -11.574 1.00 0.00 H new ATOM 0 HA LYS A 14 12.095 23.662 -10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.031 22.763 -11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.235 24.169 -12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.897 24.382 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.285 24.280 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.964 26.391 -11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.256 26.116 -11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.654 26.771 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.260 26.477 -9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.832 28.832 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.084 28.355 -10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.528 28.640 -10.941 1.00 0.00 H new ATOM 202 N HIS A 15 10.090 22.734 -12.289 1.00 0.00 N ATOM 203 CA HIS A 15 8.877 23.055 -13.022 1.00 0.00 C ATOM 204 C HIS A 15 7.656 22.601 -12.218 1.00 0.00 C ATOM 205 O HIS A 15 6.844 21.817 -12.706 1.00 0.00 O ATOM 206 CB HIS A 15 8.917 22.455 -14.429 1.00 0.00 C ATOM 207 CG HIS A 15 9.873 23.151 -15.366 1.00 0.00 C ATOM 208 ND1 HIS A 15 9.485 23.660 -16.593 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.206 23.419 -15.244 1.00 0.00 C ATOM 210 CE1 HIS A 15 10.543 24.205 -17.175 1.00 0.00 C ATOM 211 NE2 HIS A 15 11.609 24.054 -16.337 1.00 0.00 N ATOM 0 H HIS A 15 10.269 21.736 -12.176 1.00 0.00 H new ATOM 0 HA HIS A 15 8.802 24.135 -13.153 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.196 21.404 -14.357 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.915 22.490 -14.857 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.828 23.158 -14.400 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.559 24.684 -18.143 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.559 24.376 -16.521 1.00 0.00 H new ATOM 219 N LYS A 16 7.566 23.114 -11.000 1.00 0.00 N ATOM 220 CA LYS A 16 6.458 22.772 -10.124 1.00 0.00 C ATOM 221 C LYS A 16 5.547 23.990 -9.960 1.00 0.00 C ATOM 222 O LYS A 16 5.290 24.431 -8.841 1.00 0.00 O ATOM 223 CB LYS A 16 6.978 22.210 -8.799 1.00 0.00 C ATOM 224 CG LYS A 16 5.822 21.885 -7.850 1.00 0.00 C ATOM 225 CD LYS A 16 6.140 22.337 -6.423 1.00 0.00 C ATOM 226 CE LYS A 16 7.175 21.417 -5.775 1.00 0.00 C ATOM 227 NZ LYS A 16 8.208 22.212 -5.073 1.00 0.00 N ATOM 0 H LYS A 16 8.242 23.764 -10.599 1.00 0.00 H new ATOM 0 HA LYS A 16 5.854 21.980 -10.566 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.563 21.310 -8.986 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.646 22.933 -8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.913 22.376 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.628 20.812 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.516 23.360 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.227 22.341 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.683 20.746 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.643 20.793 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.903 21.572 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.689 22.835 -5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.759 22.789 -4.333 1.00 0.00 H new ATOM 241 N ASP A 17 5.084 24.499 -11.092 1.00 0.00 N ATOM 242 CA ASP A 17 4.207 25.657 -11.089 1.00 0.00 C ATOM 243 C ASP A 17 3.159 25.501 -12.191 1.00 0.00 C ATOM 244 O ASP A 17 3.371 24.767 -13.156 1.00 0.00 O ATOM 245 CB ASP A 17 4.991 26.942 -11.360 1.00 0.00 C ATOM 246 CG ASP A 17 4.670 28.107 -10.421 1.00 0.00 C ATOM 247 OD1 ASP A 17 5.254 28.123 -9.317 1.00 0.00 O ATOM 248 OD2 ASP A 17 3.847 28.954 -10.829 1.00 0.00 O ATOM 0 H ASP A 17 5.300 24.130 -12.018 1.00 0.00 H new ATOM 0 HA ASP A 17 3.737 25.721 -10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.056 26.721 -11.290 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.798 27.258 -12.385 1.00 0.00 H new ATOM 253 N SER A 18 2.049 26.203 -12.013 1.00 0.00 N ATOM 254 CA SER A 18 0.967 26.152 -12.981 1.00 0.00 C ATOM 255 C SER A 18 1.510 26.410 -14.388 1.00 0.00 C ATOM 256 O SER A 18 1.127 25.731 -15.340 1.00 0.00 O ATOM 257 CB SER A 18 -0.126 27.167 -12.640 1.00 0.00 C ATOM 258 OG SER A 18 0.382 28.495 -12.570 1.00 0.00 O ATOM 0 H SER A 18 1.876 26.810 -11.212 1.00 0.00 H new ATOM 0 HA SER A 18 0.525 25.156 -12.946 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.913 27.119 -13.393 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.581 26.902 -11.686 1.00 0.00 H new ATOM 0 HG SER A 18 -0.347 29.113 -12.352 1.00 0.00 H new ATOM 264 N LYS A 19 2.395 27.393 -14.474 1.00 0.00 N ATOM 265 CA LYS A 19 2.995 27.749 -15.749 1.00 0.00 C ATOM 266 C LYS A 19 3.765 26.547 -16.299 1.00 0.00 C ATOM 267 O LYS A 19 3.741 26.287 -17.502 1.00 0.00 O ATOM 268 CB LYS A 19 3.847 29.012 -15.606 1.00 0.00 C ATOM 269 CG LYS A 19 4.803 28.895 -14.418 1.00 0.00 C ATOM 270 CD LYS A 19 6.018 29.808 -14.600 1.00 0.00 C ATOM 271 CE LYS A 19 7.322 29.027 -14.425 1.00 0.00 C ATOM 272 NZ LYS A 19 7.967 29.375 -13.140 1.00 0.00 N ATOM 0 H LYS A 19 2.711 27.953 -13.682 1.00 0.00 H new ATOM 0 HA LYS A 19 2.223 27.994 -16.478 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.416 29.177 -16.521 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.200 29.879 -15.473 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.280 29.158 -13.499 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.133 27.861 -14.312 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.992 30.261 -15.591 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.977 30.622 -13.876 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.119 27.957 -14.458 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.999 29.249 -15.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.850 28.836 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.179 30.393 -13.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.326 29.141 -12.355 1.00 0.00 H new ATOM 286 N SER A 20 4.429 25.845 -15.393 1.00 0.00 N ATOM 287 CA SER A 20 5.204 24.677 -15.773 1.00 0.00 C ATOM 288 C SER A 20 5.034 23.572 -14.728 1.00 0.00 C ATOM 289 O SER A 20 5.467 23.721 -13.586 1.00 0.00 O ATOM 290 CB SER A 20 6.684 25.027 -15.937 1.00 0.00 C ATOM 291 OG SER A 20 7.089 25.012 -17.303 1.00 0.00 O ATOM 0 H SER A 20 4.446 26.063 -14.397 1.00 0.00 H new ATOM 0 HA SER A 20 4.833 24.320 -16.734 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.872 26.014 -15.514 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.289 24.318 -15.372 1.00 0.00 H new ATOM 0 HG SER A 20 7.945 24.542 -17.385 1.00 0.00 H new ATOM 297 N THR A 21 4.400 22.490 -15.154 1.00 0.00 N ATOM 298 CA THR A 21 4.166 21.362 -14.269 1.00 0.00 C ATOM 299 C THR A 21 4.038 20.069 -15.076 1.00 0.00 C ATOM 300 O THR A 21 3.140 19.937 -15.906 1.00 0.00 O ATOM 301 CB THR A 21 2.931 21.674 -13.421 1.00 0.00 C ATOM 302 OG1 THR A 21 3.427 22.515 -12.382 1.00 0.00 O ATOM 303 CG2 THR A 21 2.402 20.443 -12.683 1.00 0.00 C ATOM 0 H THR A 21 4.041 22.370 -16.101 1.00 0.00 H new ATOM 0 HA THR A 21 5.009 21.206 -13.596 1.00 0.00 H new ATOM 0 HB THR A 21 2.146 22.080 -14.059 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.845 23.309 -12.776 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.526 20.719 -12.096 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.127 19.675 -13.406 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.176 20.056 -12.020 1.00 0.00 H new ATOM 311 N TRP A 22 4.949 19.146 -14.804 1.00 0.00 N ATOM 312 CA TRP A 22 4.949 17.867 -15.494 1.00 0.00 C ATOM 313 C TRP A 22 4.956 16.760 -14.439 1.00 0.00 C ATOM 314 O TRP A 22 4.961 17.039 -13.241 1.00 0.00 O ATOM 315 CB TRP A 22 6.123 17.771 -16.470 1.00 0.00 C ATOM 316 CG TRP A 22 6.561 19.117 -17.051 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.785 20.120 -17.484 1.00 0.00 C ATOM 318 CD2 TRP A 22 7.918 19.569 -17.248 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.539 21.180 -17.943 1.00 0.00 N ATOM 320 CE2 TRP A 22 7.876 20.835 -17.795 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.139 18.928 -16.973 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.026 21.569 -18.114 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.277 19.676 -17.297 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.253 20.952 -17.848 1.00 0.00 C ATOM 0 H TRP A 22 5.693 19.259 -14.115 1.00 0.00 H new ATOM 0 HA TRP A 22 4.053 17.759 -16.105 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.971 17.314 -15.959 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.848 17.106 -17.289 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.705 20.101 -17.475 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.180 22.057 -18.322 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.194 17.938 -16.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 8.968 22.559 -18.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.242 19.230 -17.105 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.177 21.465 -18.070 1.00 0.00 H new ATOM 335 N VAL A 23 4.957 15.526 -14.921 1.00 0.00 N ATOM 336 CA VAL A 23 4.964 14.375 -14.035 1.00 0.00 C ATOM 337 C VAL A 23 5.602 13.186 -14.755 1.00 0.00 C ATOM 338 O VAL A 23 5.056 12.684 -15.736 1.00 0.00 O ATOM 339 CB VAL A 23 3.545 14.086 -13.542 1.00 0.00 C ATOM 340 CG1 VAL A 23 3.064 15.175 -12.582 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.579 13.925 -14.718 1.00 0.00 C ATOM 0 H VAL A 23 4.953 15.298 -15.915 1.00 0.00 H new ATOM 0 HA VAL A 23 5.566 14.578 -13.149 1.00 0.00 H new ATOM 0 HB VAL A 23 3.566 13.144 -12.994 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.053 14.944 -12.247 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.730 15.220 -11.720 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.066 16.138 -13.093 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.577 13.720 -14.341 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.565 14.843 -15.306 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.906 13.097 -15.347 1.00 0.00 H new ATOM 351 N ILE A 24 6.750 12.769 -14.239 1.00 0.00 N ATOM 352 CA ILE A 24 7.467 11.647 -14.821 1.00 0.00 C ATOM 353 C ILE A 24 6.660 10.365 -14.608 1.00 0.00 C ATOM 354 O ILE A 24 6.855 9.661 -13.618 1.00 0.00 O ATOM 355 CB ILE A 24 8.891 11.577 -14.266 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.885 11.176 -12.789 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.637 12.892 -14.500 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.465 9.774 -12.599 1.00 0.00 C ATOM 0 H ILE A 24 7.200 13.188 -13.425 1.00 0.00 H new ATOM 0 HA ILE A 24 7.575 11.780 -15.897 1.00 0.00 H new ATOM 0 HB ILE A 24 9.431 10.801 -14.808 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.466 11.895 -12.211 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.866 11.207 -12.404 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.646 12.815 -14.096 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.689 13.095 -15.570 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.108 13.704 -14.002 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.449 9.514 -11.541 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.868 9.054 -13.159 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.492 9.753 -12.962 1.00 0.00 H new ATOM 370 N LEU A 25 5.771 10.101 -15.553 1.00 0.00 N ATOM 371 CA LEU A 25 4.933 8.915 -15.482 1.00 0.00 C ATOM 372 C LEU A 25 5.279 7.981 -16.643 1.00 0.00 C ATOM 373 O LEU A 25 5.346 8.413 -17.793 1.00 0.00 O ATOM 374 CB LEU A 25 3.454 9.306 -15.427 1.00 0.00 C ATOM 375 CG LEU A 25 2.832 9.763 -16.747 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.281 8.573 -17.536 1.00 0.00 C ATOM 377 CD2 LEU A 25 1.767 10.835 -16.508 1.00 0.00 C ATOM 0 H LEU A 25 5.612 10.687 -16.372 1.00 0.00 H new ATOM 0 HA LEU A 25 5.128 8.366 -14.561 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.886 8.452 -15.057 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.337 10.107 -14.697 1.00 0.00 H new ATOM 0 HG LEU A 25 3.615 10.216 -17.355 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.844 8.927 -18.470 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.090 7.875 -17.754 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.516 8.068 -16.946 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.340 11.143 -17.462 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.980 10.430 -15.872 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.221 11.697 -16.019 1.00 0.00 H new ATOM 389 N HIS A 26 5.489 6.718 -16.302 1.00 0.00 N ATOM 390 CA HIS A 26 5.826 5.719 -17.302 1.00 0.00 C ATOM 391 C HIS A 26 7.240 5.976 -17.828 1.00 0.00 C ATOM 392 O HIS A 26 7.533 5.703 -18.991 1.00 0.00 O ATOM 393 CB HIS A 26 4.776 5.687 -18.414 1.00 0.00 C ATOM 394 CG HIS A 26 4.566 4.321 -19.022 1.00 0.00 C ATOM 395 ND1 HIS A 26 3.341 3.677 -19.014 1.00 0.00 N ATOM 396 CD2 HIS A 26 5.437 3.485 -19.656 1.00 0.00 C ATOM 397 CE1 HIS A 26 3.480 2.506 -19.618 1.00 0.00 C ATOM 398 NE2 HIS A 26 4.780 2.388 -20.015 1.00 0.00 N ATOM 0 H HIS A 26 5.432 6.364 -15.347 1.00 0.00 H new ATOM 0 HA HIS A 26 5.819 4.728 -16.848 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.827 6.045 -18.014 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.073 6.381 -19.200 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.484 3.682 -19.836 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.701 1.773 -19.770 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.181 1.589 -20.506 1.00 0.00 H new ATOM 406 N HIS A 27 8.079 6.500 -16.946 1.00 0.00 N ATOM 407 CA HIS A 27 9.455 6.797 -17.308 1.00 0.00 C ATOM 408 C HIS A 27 9.483 7.940 -18.325 1.00 0.00 C ATOM 409 O HIS A 27 10.535 8.262 -18.873 1.00 0.00 O ATOM 410 CB HIS A 27 10.169 5.541 -17.808 1.00 0.00 C ATOM 411 CG HIS A 27 11.503 5.812 -18.462 1.00 0.00 C ATOM 412 ND1 HIS A 27 12.584 6.330 -17.772 1.00 0.00 N ATOM 413 CD2 HIS A 27 11.918 5.629 -19.749 1.00 0.00 C ATOM 414 CE1 HIS A 27 13.599 6.451 -18.615 1.00 0.00 C ATOM 415 NE2 HIS A 27 13.183 6.017 -19.840 1.00 0.00 N ATOM 0 H HIS A 27 7.833 6.726 -15.982 1.00 0.00 H new ATOM 0 HA HIS A 27 10.003 7.128 -16.426 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.319 4.862 -16.968 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.524 5.028 -18.521 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.318 5.235 -20.556 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.583 6.827 -18.375 1.00 0.00 H new ATOM 0 HE2 HIS A 27 13.752 5.995 -20.687 1.00 0.00 H new ATOM 423 N LYS A 28 8.313 8.522 -18.546 1.00 0.00 N ATOM 424 CA LYS A 28 8.190 9.622 -19.486 1.00 0.00 C ATOM 425 C LYS A 28 7.341 10.730 -18.861 1.00 0.00 C ATOM 426 O LYS A 28 6.190 10.502 -18.494 1.00 0.00 O ATOM 427 CB LYS A 28 7.654 9.120 -20.829 1.00 0.00 C ATOM 428 CG LYS A 28 6.601 8.030 -20.627 1.00 0.00 C ATOM 429 CD LYS A 28 7.030 6.721 -21.295 1.00 0.00 C ATOM 430 CE LYS A 28 6.818 6.783 -22.808 1.00 0.00 C ATOM 431 NZ LYS A 28 7.091 5.465 -23.424 1.00 0.00 N ATOM 0 H LYS A 28 7.442 8.252 -18.090 1.00 0.00 H new ATOM 0 HA LYS A 28 9.168 10.052 -19.699 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.220 9.951 -21.385 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.476 8.730 -21.429 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.444 7.864 -19.561 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.648 8.359 -21.042 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.080 6.526 -21.079 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.459 5.891 -20.878 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.794 7.088 -23.026 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.474 7.537 -23.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.942 5.525 -24.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.075 5.189 -23.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.447 4.754 -23.022 1.00 0.00 H new ATOM 445 N VAL A 29 7.943 11.906 -18.759 1.00 0.00 N ATOM 446 CA VAL A 29 7.256 13.051 -18.185 1.00 0.00 C ATOM 447 C VAL A 29 6.308 13.648 -19.227 1.00 0.00 C ATOM 448 O VAL A 29 6.552 13.538 -20.428 1.00 0.00 O ATOM 449 CB VAL A 29 8.276 14.061 -17.655 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.411 14.270 -18.658 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.601 15.388 -17.306 1.00 0.00 C ATOM 0 H VAL A 29 8.899 12.091 -19.064 1.00 0.00 H new ATOM 0 HA VAL A 29 6.649 12.745 -17.333 1.00 0.00 H new ATOM 0 HB VAL A 29 8.708 13.654 -16.741 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.122 14.992 -18.257 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.918 13.322 -18.836 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.003 14.645 -19.596 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.347 16.089 -16.932 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.130 15.802 -18.197 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.844 15.221 -16.540 1.00 0.00 H new ATOM 461 N TYR A 30 5.247 14.266 -18.730 1.00 0.00 N ATOM 462 CA TYR A 30 4.262 14.881 -19.603 1.00 0.00 C ATOM 463 C TYR A 30 4.001 16.332 -19.198 1.00 0.00 C ATOM 464 O TYR A 30 3.706 16.614 -18.038 1.00 0.00 O ATOM 465 CB TYR A 30 2.975 14.073 -19.422 1.00 0.00 C ATOM 466 CG TYR A 30 3.015 12.686 -20.066 1.00 0.00 C ATOM 467 CD1 TYR A 30 3.967 11.769 -19.670 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.100 12.352 -21.043 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.004 10.463 -20.277 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.137 11.047 -21.650 1.00 0.00 C ATOM 471 CZ TYR A 30 3.087 10.167 -21.237 1.00 0.00 C ATOM 472 OH TYR A 30 3.123 8.933 -21.810 1.00 0.00 O ATOM 0 H TYR A 30 5.048 14.354 -17.734 1.00 0.00 H new ATOM 0 HA TYR A 30 4.612 14.883 -20.635 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.775 13.962 -18.356 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.143 14.635 -19.846 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.684 12.030 -18.906 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.355 13.070 -21.353 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.743 9.735 -19.977 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.426 10.774 -22.416 1.00 0.00 H new ATOM 0 HH TYR A 30 2.409 8.861 -22.478 1.00 0.00 H new ATOM 482 N ASP A 31 4.117 17.217 -20.179 1.00 0.00 N ATOM 483 CA ASP A 31 3.896 18.633 -19.939 1.00 0.00 C ATOM 484 C ASP A 31 2.411 18.950 -20.116 1.00 0.00 C ATOM 485 O ASP A 31 2.006 19.502 -21.139 1.00 0.00 O ATOM 486 CB ASP A 31 4.684 19.489 -20.933 1.00 0.00 C ATOM 487 CG ASP A 31 4.211 20.938 -21.054 1.00 0.00 C ATOM 488 OD1 ASP A 31 3.455 21.367 -20.155 1.00 0.00 O ATOM 489 OD2 ASP A 31 4.614 21.586 -22.045 1.00 0.00 O ATOM 0 H ASP A 31 4.361 16.980 -21.141 1.00 0.00 H new ATOM 0 HA ASP A 31 4.227 18.859 -18.926 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.733 19.488 -20.638 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.629 19.021 -21.916 1.00 0.00 H new ATOM 494 N LEU A 32 1.636 18.589 -19.103 1.00 0.00 N ATOM 495 CA LEU A 32 0.203 18.829 -19.134 1.00 0.00 C ATOM 496 C LEU A 32 -0.086 20.234 -18.603 1.00 0.00 C ATOM 497 O LEU A 32 -1.236 20.574 -18.328 1.00 0.00 O ATOM 498 CB LEU A 32 -0.541 17.722 -18.384 1.00 0.00 C ATOM 499 CG LEU A 32 0.252 17.002 -17.292 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.681 16.419 -16.229 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.170 15.936 -17.894 1.00 0.00 C ATOM 0 H LEU A 32 1.974 18.132 -18.256 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.168 18.793 -20.158 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.434 18.154 -17.932 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.877 16.981 -19.110 1.00 0.00 H new ATOM 0 HG LEU A 32 0.889 17.734 -16.795 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.091 15.913 -15.465 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.256 17.223 -15.770 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.361 15.705 -16.694 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.722 15.439 -17.097 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.571 15.202 -18.432 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.872 16.407 -18.583 1.00 0.00 H new ATOM 513 N THR A 33 0.977 21.015 -18.476 1.00 0.00 N ATOM 514 CA THR A 33 0.852 22.375 -17.983 1.00 0.00 C ATOM 515 C THR A 33 -0.035 23.201 -18.919 1.00 0.00 C ATOM 516 O THR A 33 -0.507 24.274 -18.545 1.00 0.00 O ATOM 517 CB THR A 33 2.260 22.949 -17.817 1.00 0.00 C ATOM 518 OG1 THR A 33 2.116 23.930 -16.793 1.00 0.00 O ATOM 519 CG2 THR A 33 2.714 23.751 -19.039 1.00 0.00 C ATOM 0 H THR A 33 1.929 20.731 -18.706 1.00 0.00 H new ATOM 0 HA THR A 33 0.359 22.400 -17.011 1.00 0.00 H new ATOM 0 HB THR A 33 2.964 22.137 -17.634 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.335 24.490 -16.984 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.719 24.136 -18.869 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.717 23.106 -19.917 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.030 24.584 -19.203 1.00 0.00 H new ATOM 527 N LYS A 34 -0.235 22.669 -20.115 1.00 0.00 N ATOM 528 CA LYS A 34 -1.057 23.344 -21.106 1.00 0.00 C ATOM 529 C LYS A 34 -2.509 22.887 -20.954 1.00 0.00 C ATOM 530 O LYS A 34 -3.412 23.713 -20.833 1.00 0.00 O ATOM 531 CB LYS A 34 -0.487 23.128 -22.509 1.00 0.00 C ATOM 532 CG LYS A 34 -0.994 24.200 -23.478 1.00 0.00 C ATOM 533 CD LYS A 34 -0.528 25.591 -23.047 1.00 0.00 C ATOM 534 CE LYS A 34 0.255 26.279 -24.168 1.00 0.00 C ATOM 535 NZ LYS A 34 -0.672 26.894 -25.144 1.00 0.00 N ATOM 0 H LYS A 34 0.157 21.779 -20.421 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.044 24.422 -20.944 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.602 23.153 -22.471 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.771 22.140 -22.873 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.632 23.987 -24.484 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.083 24.173 -23.518 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.391 26.199 -22.775 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.098 25.510 -22.158 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.909 27.043 -23.747 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.894 25.554 -24.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.125 27.357 -25.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.279 26.158 -25.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.264 27.600 -24.663 1.00 0.00 H new ATOM 549 N PHE A 35 -2.687 21.575 -20.965 1.00 0.00 N ATOM 550 CA PHE A 35 -4.014 20.999 -20.830 1.00 0.00 C ATOM 551 C PHE A 35 -4.381 20.804 -19.358 1.00 0.00 C ATOM 552 O PHE A 35 -5.379 20.160 -19.042 1.00 0.00 O ATOM 553 CB PHE A 35 -3.981 19.634 -21.520 1.00 0.00 C ATOM 554 CG PHE A 35 -4.243 18.455 -20.580 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.315 18.112 -19.645 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.402 17.750 -20.678 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.558 17.018 -18.772 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.644 16.657 -19.806 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.717 16.314 -18.871 1.00 0.00 C ATOM 0 H PHE A 35 -1.934 20.894 -21.065 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.754 21.663 -21.276 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.725 19.623 -22.316 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.007 19.500 -21.992 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.394 18.671 -19.567 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.138 18.022 -21.420 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.822 16.746 -18.030 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.564 16.097 -19.885 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.902 15.482 -18.207 1.00 0.00 H new ATOM 569 N LEU A 36 -3.551 21.374 -18.495 1.00 0.00 N ATOM 570 CA LEU A 36 -3.775 21.271 -17.062 1.00 0.00 C ATOM 571 C LEU A 36 -5.181 21.778 -16.733 1.00 0.00 C ATOM 572 O LEU A 36 -5.882 21.185 -15.915 1.00 0.00 O ATOM 573 CB LEU A 36 -2.666 21.992 -16.294 1.00 0.00 C ATOM 574 CG LEU A 36 -2.117 21.261 -15.067 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.605 21.457 -14.944 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.856 21.691 -13.797 1.00 0.00 C ATOM 0 H LEU A 36 -2.723 21.908 -18.760 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.728 20.230 -16.742 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.840 22.181 -16.980 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.044 22.963 -15.975 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.294 20.193 -15.197 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.240 20.927 -14.064 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.114 21.064 -15.834 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.383 22.520 -14.846 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.447 21.157 -12.939 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.732 22.764 -13.649 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.916 21.459 -13.897 1.00 0.00 H new ATOM 588 N GLU A 37 -5.550 22.870 -17.387 1.00 0.00 N ATOM 589 CA GLU A 37 -6.859 23.463 -17.174 1.00 0.00 C ATOM 590 C GLU A 37 -7.928 22.681 -17.939 1.00 0.00 C ATOM 591 O GLU A 37 -9.100 22.698 -17.567 1.00 0.00 O ATOM 592 CB GLU A 37 -6.865 24.938 -17.579 1.00 0.00 C ATOM 593 CG GLU A 37 -7.902 25.725 -16.773 1.00 0.00 C ATOM 594 CD GLU A 37 -8.809 26.541 -17.695 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.155 26.005 -18.771 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.135 27.682 -17.305 1.00 0.00 O ATOM 0 H GLU A 37 -4.965 23.359 -18.064 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.090 23.411 -16.110 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.875 25.366 -17.421 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.084 25.026 -18.643 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.505 25.037 -16.180 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.396 26.390 -16.073 1.00 0.00 H new ATOM 603 N GLU A 38 -7.484 22.012 -18.994 1.00 0.00 N ATOM 604 CA GLU A 38 -8.389 21.224 -19.814 1.00 0.00 C ATOM 605 C GLU A 38 -8.601 19.842 -19.194 1.00 0.00 C ATOM 606 O GLU A 38 -9.387 19.044 -19.701 1.00 0.00 O ATOM 607 CB GLU A 38 -7.866 21.107 -21.248 1.00 0.00 C ATOM 608 CG GLU A 38 -8.354 22.276 -22.106 1.00 0.00 C ATOM 609 CD GLU A 38 -7.644 22.295 -23.461 1.00 0.00 C ATOM 610 OE1 GLU A 38 -7.493 21.197 -24.038 1.00 0.00 O ATOM 611 OE2 GLU A 38 -7.267 23.407 -23.890 1.00 0.00 O ATOM 0 H GLU A 38 -6.511 22.000 -19.299 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.351 21.734 -19.852 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.776 21.086 -21.241 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.200 20.166 -21.685 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.431 22.197 -22.257 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.174 23.215 -21.584 1.00 0.00 H new ATOM 618 N HIS A 39 -7.886 19.602 -18.104 1.00 0.00 N ATOM 619 CA HIS A 39 -7.987 18.330 -17.409 1.00 0.00 C ATOM 620 C HIS A 39 -9.152 18.377 -16.419 1.00 0.00 C ATOM 621 O HIS A 39 -9.283 19.330 -15.654 1.00 0.00 O ATOM 622 CB HIS A 39 -6.657 17.969 -16.743 1.00 0.00 C ATOM 623 CG HIS A 39 -6.625 16.582 -16.148 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.498 16.351 -14.789 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.708 15.356 -16.741 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.503 15.042 -14.585 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.632 14.427 -15.795 1.00 0.00 N ATOM 0 H HIS A 39 -7.235 20.267 -17.686 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.197 17.535 -18.125 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.858 18.056 -17.480 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.447 18.695 -15.958 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.415 17.067 -14.067 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.817 15.172 -17.800 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.420 14.549 -13.628 1.00 0.00 H new ATOM 635 N PRO A 40 -9.991 17.308 -16.468 1.00 0.00 N ATOM 636 CA PRO A 40 -11.141 17.218 -15.585 1.00 0.00 C ATOM 637 C PRO A 40 -10.713 16.860 -14.161 1.00 0.00 C ATOM 638 O PRO A 40 -11.502 16.974 -13.225 1.00 0.00 O ATOM 639 CB PRO A 40 -12.040 16.167 -16.217 1.00 0.00 C ATOM 640 CG PRO A 40 -11.155 15.378 -17.167 1.00 0.00 C ATOM 641 CD PRO A 40 -9.867 16.160 -17.363 1.00 0.00 C ATOM 0 HA PRO A 40 -11.669 18.166 -15.483 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.475 15.517 -15.458 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.869 16.632 -16.751 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.943 14.390 -16.759 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.659 15.227 -18.122 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.995 15.556 -17.114 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.750 16.477 -18.399 1.00 0.00 H new ATOM 649 N GLY A 41 -9.464 16.435 -14.043 1.00 0.00 N ATOM 650 CA GLY A 41 -8.920 16.060 -12.748 1.00 0.00 C ATOM 651 C GLY A 41 -8.971 17.235 -11.770 1.00 0.00 C ATOM 652 O GLY A 41 -9.887 17.329 -10.954 1.00 0.00 O ATOM 0 H GLY A 41 -8.813 16.342 -14.822 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.484 15.220 -12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.889 15.725 -12.866 1.00 0.00 H new ATOM 656 N GLY A 42 -7.977 18.102 -11.885 1.00 0.00 N ATOM 657 CA GLY A 42 -7.897 19.268 -11.021 1.00 0.00 C ATOM 658 C GLY A 42 -6.747 20.185 -11.443 1.00 0.00 C ATOM 659 O GLY A 42 -6.228 20.067 -12.552 1.00 0.00 O ATOM 0 H GLY A 42 -7.220 18.021 -12.563 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.838 19.818 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.754 18.951 -9.988 1.00 0.00 H new ATOM 663 N GLU A 43 -6.382 21.078 -10.535 1.00 0.00 N ATOM 664 CA GLU A 43 -5.303 22.016 -10.799 1.00 0.00 C ATOM 665 C GLU A 43 -4.207 21.876 -9.739 1.00 0.00 C ATOM 666 O GLU A 43 -3.122 22.436 -9.885 1.00 0.00 O ATOM 667 CB GLU A 43 -5.826 23.451 -10.861 1.00 0.00 C ATOM 668 CG GLU A 43 -4.729 24.451 -10.491 1.00 0.00 C ATOM 669 CD GLU A 43 -5.271 25.882 -10.482 1.00 0.00 C ATOM 670 OE1 GLU A 43 -5.268 26.497 -11.570 1.00 0.00 O ATOM 671 OE2 GLU A 43 -5.678 26.328 -9.387 1.00 0.00 O ATOM 0 H GLU A 43 -6.814 21.172 -9.616 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.873 21.780 -11.772 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.194 23.665 -11.864 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.670 23.564 -10.181 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.324 24.205 -9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.907 24.374 -11.203 1.00 0.00 H new ATOM 678 N GLU A 44 -4.531 21.126 -8.696 1.00 0.00 N ATOM 679 CA GLU A 44 -3.588 20.907 -7.612 1.00 0.00 C ATOM 680 C GLU A 44 -3.311 19.411 -7.444 1.00 0.00 C ATOM 681 O GLU A 44 -2.520 19.014 -6.590 1.00 0.00 O ATOM 682 CB GLU A 44 -4.101 21.519 -6.306 1.00 0.00 C ATOM 683 CG GLU A 44 -5.327 20.762 -5.790 1.00 0.00 C ATOM 684 CD GLU A 44 -6.566 21.660 -5.790 1.00 0.00 C ATOM 685 OE1 GLU A 44 -6.687 22.459 -6.745 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.362 21.527 -4.837 1.00 0.00 O ATOM 0 H GLU A 44 -5.432 20.663 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.652 21.405 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.312 21.495 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.357 22.566 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.508 19.887 -6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.136 20.399 -4.780 1.00 0.00 H new ATOM 693 N VAL A 45 -3.978 18.622 -8.274 1.00 0.00 N ATOM 694 CA VAL A 45 -3.813 17.179 -8.229 1.00 0.00 C ATOM 695 C VAL A 45 -2.860 16.744 -9.344 1.00 0.00 C ATOM 696 O VAL A 45 -2.215 15.702 -9.241 1.00 0.00 O ATOM 697 CB VAL A 45 -5.179 16.493 -8.308 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.185 17.362 -9.067 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.061 15.107 -8.945 1.00 0.00 C ATOM 0 H VAL A 45 -4.633 18.955 -8.981 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.366 16.875 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.548 16.363 -7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.147 16.852 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.302 18.316 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.823 17.537 -10.080 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.046 14.642 -8.989 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.660 15.203 -9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.393 14.487 -8.347 1.00 0.00 H new ATOM 709 N LEU A 46 -2.802 17.563 -10.382 1.00 0.00 N ATOM 710 CA LEU A 46 -1.939 17.275 -11.515 1.00 0.00 C ATOM 711 C LEU A 46 -0.514 17.731 -11.194 1.00 0.00 C ATOM 712 O LEU A 46 0.454 17.113 -11.634 1.00 0.00 O ATOM 713 CB LEU A 46 -2.508 17.893 -12.794 1.00 0.00 C ATOM 714 CG LEU A 46 -4.032 18.010 -12.861 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.479 18.589 -14.205 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.698 16.665 -12.567 1.00 0.00 C ATOM 0 H LEU A 46 -3.339 18.427 -10.463 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.898 16.201 -11.698 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.081 18.889 -12.914 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.171 17.298 -13.643 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.356 18.706 -12.087 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.566 18.662 -14.226 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.046 19.581 -14.336 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.143 17.937 -15.012 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.781 16.776 -12.621 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.371 15.929 -13.302 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.417 16.330 -11.568 1.00 0.00 H new ATOM 728 N ARG A 47 -0.430 18.809 -10.429 1.00 0.00 N ATOM 729 CA ARG A 47 0.860 19.355 -10.043 1.00 0.00 C ATOM 730 C ARG A 47 1.304 18.770 -8.701 1.00 0.00 C ATOM 731 O ARG A 47 2.488 18.799 -8.370 1.00 0.00 O ATOM 732 CB ARG A 47 0.802 20.880 -9.932 1.00 0.00 C ATOM 733 CG ARG A 47 -0.457 21.329 -9.186 1.00 0.00 C ATOM 734 CD ARG A 47 -0.299 22.752 -8.650 1.00 0.00 C ATOM 735 NE ARG A 47 -0.546 22.775 -7.191 1.00 0.00 N ATOM 736 CZ ARG A 47 -0.156 23.766 -6.378 1.00 0.00 C ATOM 737 NH1 ARG A 47 0.500 24.822 -6.876 1.00 0.00 N ATOM 738 NH2 ARG A 47 -0.423 23.700 -5.067 1.00 0.00 N ATOM 0 H ARG A 47 -1.235 19.320 -10.066 1.00 0.00 H new ATOM 0 HA ARG A 47 1.579 19.085 -10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.687 21.244 -9.410 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.815 21.321 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.316 21.282 -9.855 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.658 20.646 -8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.705 23.120 -8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.997 23.419 -9.156 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.045 21.987 -6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.703 24.872 -7.874 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.797 25.576 -6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.923 22.896 -4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.126 24.454 -4.448 1.00 0.00 H new ATOM 752 N GLU A 48 0.331 18.252 -7.967 1.00 0.00 N ATOM 753 CA GLU A 48 0.607 17.661 -6.669 1.00 0.00 C ATOM 754 C GLU A 48 1.781 16.684 -6.769 1.00 0.00 C ATOM 755 O GLU A 48 2.469 16.432 -5.782 1.00 0.00 O ATOM 756 CB GLU A 48 -0.636 16.967 -6.107 1.00 0.00 C ATOM 757 CG GLU A 48 -0.974 17.496 -4.711 1.00 0.00 C ATOM 758 CD GLU A 48 0.190 17.273 -3.743 1.00 0.00 C ATOM 759 OE1 GLU A 48 0.746 16.154 -3.772 1.00 0.00 O ATOM 760 OE2 GLU A 48 0.498 18.227 -2.997 1.00 0.00 O ATOM 0 H GLU A 48 -0.650 18.229 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 48 0.881 18.459 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.481 17.129 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.467 15.891 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.206 18.560 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.866 16.995 -4.334 1.00 0.00 H new ATOM 767 N GLN A 49 1.973 16.161 -7.971 1.00 0.00 N ATOM 768 CA GLN A 49 3.052 15.218 -8.213 1.00 0.00 C ATOM 769 C GLN A 49 4.037 15.789 -9.235 1.00 0.00 C ATOM 770 O GLN A 49 4.642 15.044 -10.004 1.00 0.00 O ATOM 771 CB GLN A 49 2.504 13.866 -8.676 1.00 0.00 C ATOM 772 CG GLN A 49 1.623 13.232 -7.597 1.00 0.00 C ATOM 773 CD GLN A 49 2.472 12.687 -6.448 1.00 0.00 C ATOM 774 OE1 GLN A 49 3.582 13.127 -6.197 1.00 0.00 O ATOM 775 NE2 GLN A 49 1.890 11.705 -5.764 1.00 0.00 N ATOM 0 H GLN A 49 1.400 16.372 -8.788 1.00 0.00 H new ATOM 0 HA GLN A 49 3.584 15.056 -7.276 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.926 13.998 -9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.331 13.197 -8.915 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.920 13.972 -7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.032 12.426 -8.032 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.958 11.383 -6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.376 11.274 -4.977 1.00 0.00 H new ATOM 784 N ALA A 50 4.168 17.108 -9.210 1.00 0.00 N ATOM 785 CA ALA A 50 5.069 17.788 -10.124 1.00 0.00 C ATOM 786 C ALA A 50 6.461 17.865 -9.496 1.00 0.00 C ATOM 787 O ALA A 50 6.986 18.956 -9.271 1.00 0.00 O ATOM 788 CB ALA A 50 4.505 19.169 -10.465 1.00 0.00 C ATOM 0 H ALA A 50 3.665 17.723 -8.571 1.00 0.00 H new ATOM 0 HA ALA A 50 5.159 17.234 -11.058 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.181 19.679 -11.151 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.528 19.057 -10.935 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.403 19.756 -9.552 1.00 0.00 H new ATOM 794 N GLY A 51 7.022 16.695 -9.231 1.00 0.00 N ATOM 795 CA GLY A 51 8.345 16.616 -8.633 1.00 0.00 C ATOM 796 C GLY A 51 8.870 15.180 -8.650 1.00 0.00 C ATOM 797 O GLY A 51 10.058 14.953 -8.878 1.00 0.00 O ATOM 0 H GLY A 51 6.585 15.793 -9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.033 17.265 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.306 16.981 -7.606 1.00 0.00 H new ATOM 801 N GLY A 52 7.961 14.248 -8.407 1.00 0.00 N ATOM 802 CA GLY A 52 8.318 12.839 -8.391 1.00 0.00 C ATOM 803 C GLY A 52 7.600 12.080 -9.510 1.00 0.00 C ATOM 804 O GLY A 52 7.594 12.518 -10.658 1.00 0.00 O ATOM 0 H GLY A 52 6.977 14.441 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.396 12.732 -8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.057 12.405 -7.426 1.00 0.00 H new ATOM 808 N ASP A 53 7.012 10.953 -9.133 1.00 0.00 N ATOM 809 CA ASP A 53 6.293 10.129 -10.089 1.00 0.00 C ATOM 810 C ASP A 53 4.794 10.205 -9.796 1.00 0.00 C ATOM 811 O ASP A 53 4.346 9.795 -8.726 1.00 0.00 O ATOM 812 CB ASP A 53 6.722 8.664 -9.985 1.00 0.00 C ATOM 813 CG ASP A 53 6.118 7.896 -8.808 1.00 0.00 C ATOM 814 OD1 ASP A 53 6.099 8.477 -7.700 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.688 6.746 -9.041 1.00 0.00 O ATOM 0 H ASP A 53 7.019 10.592 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 53 6.516 10.500 -11.089 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.450 8.155 -10.910 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.808 8.624 -9.907 1.00 0.00 H new ATOM 820 N ALA A 54 4.060 10.732 -10.764 1.00 0.00 N ATOM 821 CA ALA A 54 2.620 10.868 -10.623 1.00 0.00 C ATOM 822 C ALA A 54 1.939 9.609 -11.162 1.00 0.00 C ATOM 823 O ALA A 54 0.737 9.422 -10.981 1.00 0.00 O ATOM 824 CB ALA A 54 2.153 12.136 -11.341 1.00 0.00 C ATOM 0 H ALA A 54 4.435 11.070 -11.650 1.00 0.00 H new ATOM 0 HA ALA A 54 2.345 10.969 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.073 12.237 -11.235 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.644 13.005 -10.902 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.409 12.071 -12.398 1.00 0.00 H new ATOM 830 N THR A 55 2.736 8.775 -11.815 1.00 0.00 N ATOM 831 CA THR A 55 2.225 7.539 -12.382 1.00 0.00 C ATOM 832 C THR A 55 1.408 6.773 -11.340 1.00 0.00 C ATOM 833 O THR A 55 0.474 6.052 -11.686 1.00 0.00 O ATOM 834 CB THR A 55 3.412 6.744 -12.928 1.00 0.00 C ATOM 835 OG1 THR A 55 2.924 5.408 -13.016 1.00 0.00 O ATOM 836 CG2 THR A 55 4.567 6.653 -11.928 1.00 0.00 C ATOM 0 H THR A 55 3.733 8.932 -11.964 1.00 0.00 H new ATOM 0 HA THR A 55 1.540 7.735 -13.207 1.00 0.00 H new ATOM 0 HB THR A 55 3.765 7.207 -13.849 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.630 4.824 -13.363 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.383 6.078 -12.366 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.918 7.656 -11.686 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.223 6.160 -11.019 1.00 0.00 H new ATOM 844 N GLU A 56 1.789 6.956 -10.085 1.00 0.00 N ATOM 845 CA GLU A 56 1.103 6.291 -8.989 1.00 0.00 C ATOM 846 C GLU A 56 -0.290 6.893 -8.792 1.00 0.00 C ATOM 847 O GLU A 56 -1.269 6.164 -8.645 1.00 0.00 O ATOM 848 CB GLU A 56 1.923 6.369 -7.700 1.00 0.00 C ATOM 849 CG GLU A 56 2.666 7.702 -7.604 1.00 0.00 C ATOM 850 CD GLU A 56 2.826 8.137 -6.145 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.976 7.714 -5.330 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.792 8.883 -5.877 1.00 0.00 O ATOM 0 H GLU A 56 2.564 7.555 -9.802 1.00 0.00 H new ATOM 0 HA GLU A 56 0.989 5.237 -9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.265 6.252 -6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.638 5.547 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.647 7.610 -8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.121 8.467 -8.158 1.00 0.00 H new ATOM 859 N ASN A 57 -0.332 8.217 -8.794 1.00 0.00 N ATOM 860 CA ASN A 57 -1.588 8.926 -8.616 1.00 0.00 C ATOM 861 C ASN A 57 -2.340 8.962 -9.948 1.00 0.00 C ATOM 862 O ASN A 57 -3.570 8.975 -9.969 1.00 0.00 O ATOM 863 CB ASN A 57 -1.347 10.369 -8.169 1.00 0.00 C ATOM 864 CG ASN A 57 -1.406 10.488 -6.645 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.608 9.522 -5.928 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.218 11.724 -6.191 1.00 0.00 N ATOM 0 H ASN A 57 0.483 8.818 -8.916 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.166 8.404 -7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.374 10.706 -8.526 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.095 11.022 -8.618 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.238 11.907 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.054 12.488 -6.846 1.00 0.00 H new ATOM 873 N PHE A 58 -1.570 8.977 -11.025 1.00 0.00 N ATOM 874 CA PHE A 58 -2.149 9.012 -12.359 1.00 0.00 C ATOM 875 C PHE A 58 -2.794 7.671 -12.711 1.00 0.00 C ATOM 876 O PHE A 58 -3.860 7.632 -13.324 1.00 0.00 O ATOM 877 CB PHE A 58 -1.005 9.286 -13.336 1.00 0.00 C ATOM 878 CG PHE A 58 -1.326 8.927 -14.788 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.436 7.623 -15.157 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.503 9.912 -15.709 1.00 0.00 C ATOM 881 CE1 PHE A 58 -1.735 7.289 -16.504 1.00 0.00 C ATOM 882 CE2 PHE A 58 -1.802 9.577 -17.057 1.00 0.00 C ATOM 883 CZ PHE A 58 -1.912 8.274 -17.426 1.00 0.00 C ATOM 0 H PHE A 58 -0.550 8.966 -11.003 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.920 9.781 -12.410 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.742 10.342 -13.284 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.127 8.723 -13.019 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.296 6.841 -14.425 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.416 10.948 -15.416 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.822 6.253 -16.797 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.942 10.359 -17.789 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.140 8.020 -18.451 1.00 0.00 H new ATOM 893 N GLU A 59 -2.121 6.603 -12.309 1.00 0.00 N ATOM 894 CA GLU A 59 -2.615 5.263 -12.575 1.00 0.00 C ATOM 895 C GLU A 59 -3.702 4.888 -11.565 1.00 0.00 C ATOM 896 O GLU A 59 -4.464 3.947 -11.788 1.00 0.00 O ATOM 897 CB GLU A 59 -1.474 4.243 -12.556 1.00 0.00 C ATOM 898 CG GLU A 59 -1.037 3.936 -11.122 1.00 0.00 C ATOM 899 CD GLU A 59 -2.018 2.977 -10.444 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.501 2.067 -11.150 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.260 3.177 -9.233 1.00 0.00 O ATOM 0 H GLU A 59 -1.237 6.639 -11.801 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.053 5.250 -13.573 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.795 3.324 -13.047 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.627 4.629 -13.123 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.039 3.497 -11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.975 4.862 -10.551 1.00 0.00 H new ATOM 908 N ASP A 60 -3.741 5.642 -10.477 1.00 0.00 N ATOM 909 CA ASP A 60 -4.721 5.402 -9.433 1.00 0.00 C ATOM 910 C ASP A 60 -6.128 5.543 -10.018 1.00 0.00 C ATOM 911 O ASP A 60 -6.953 4.640 -9.887 1.00 0.00 O ATOM 912 CB ASP A 60 -4.577 6.416 -8.297 1.00 0.00 C ATOM 913 CG ASP A 60 -5.769 6.490 -7.340 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.363 5.417 -7.090 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.060 7.615 -6.880 1.00 0.00 O ATOM 0 H ASP A 60 -3.108 6.421 -10.296 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.557 4.398 -9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.684 6.171 -7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.416 7.403 -8.730 1.00 0.00 H new ATOM 920 N VAL A 61 -6.359 6.684 -10.652 1.00 0.00 N ATOM 921 CA VAL A 61 -7.651 6.954 -11.258 1.00 0.00 C ATOM 922 C VAL A 61 -7.872 5.996 -12.430 1.00 0.00 C ATOM 923 O VAL A 61 -9.000 5.813 -12.883 1.00 0.00 O ATOM 924 CB VAL A 61 -7.740 8.427 -11.666 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.390 8.936 -12.177 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.837 8.642 -12.709 1.00 0.00 C ATOM 0 H VAL A 61 -5.673 7.431 -10.759 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.452 6.779 -10.540 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.003 9.005 -10.780 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.480 9.985 -12.460 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.642 8.836 -11.391 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.085 8.351 -13.045 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.879 9.697 -12.981 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.618 8.047 -13.596 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.798 8.336 -12.295 1.00 0.00 H new ATOM 936 N GLY A 62 -6.775 5.409 -12.888 1.00 0.00 N ATOM 937 CA GLY A 62 -6.834 4.474 -13.998 1.00 0.00 C ATOM 938 C GLY A 62 -7.258 5.180 -15.287 1.00 0.00 C ATOM 939 O GLY A 62 -8.415 5.092 -15.697 1.00 0.00 O ATOM 0 H GLY A 62 -5.840 5.563 -12.510 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.859 4.008 -14.138 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.539 3.675 -13.768 1.00 0.00 H new ATOM 943 N HIS A 63 -6.299 5.865 -15.892 1.00 0.00 N ATOM 944 CA HIS A 63 -6.558 6.586 -17.127 1.00 0.00 C ATOM 945 C HIS A 63 -6.721 5.591 -18.278 1.00 0.00 C ATOM 946 O HIS A 63 -5.996 4.600 -18.353 1.00 0.00 O ATOM 947 CB HIS A 63 -5.464 7.623 -17.390 1.00 0.00 C ATOM 948 CG HIS A 63 -5.508 8.812 -16.461 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.871 8.827 -15.232 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.119 10.024 -16.592 1.00 0.00 C ATOM 951 CE1 HIS A 63 -5.095 10.001 -14.660 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.869 10.741 -15.504 1.00 0.00 N ATOM 0 H HIS A 63 -5.341 5.936 -15.550 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.491 7.142 -17.039 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.491 7.140 -17.300 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.551 7.975 -18.418 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.323 8.064 -14.835 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.707 10.346 -17.439 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.729 10.317 -13.694 1.00 0.00 H new ATOM 960 N SER A 64 -7.678 5.890 -19.145 1.00 0.00 N ATOM 961 CA SER A 64 -7.946 5.033 -20.288 1.00 0.00 C ATOM 962 C SER A 64 -6.726 4.997 -21.212 1.00 0.00 C ATOM 963 O SER A 64 -5.794 5.783 -21.046 1.00 0.00 O ATOM 964 CB SER A 64 -9.179 5.511 -21.056 1.00 0.00 C ATOM 965 OG SER A 64 -9.822 4.444 -21.748 1.00 0.00 O ATOM 0 H SER A 64 -8.277 6.713 -19.079 1.00 0.00 H new ATOM 0 HA SER A 64 -8.147 4.026 -19.922 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.883 5.970 -20.362 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.886 6.282 -21.769 1.00 0.00 H new ATOM 0 HG SER A 64 -10.606 4.789 -22.225 1.00 0.00 H new ATOM 971 N THR A 65 -6.772 4.076 -22.163 1.00 0.00 N ATOM 972 CA THR A 65 -5.682 3.927 -23.113 1.00 0.00 C ATOM 973 C THR A 65 -5.691 5.080 -24.119 1.00 0.00 C ATOM 974 O THR A 65 -4.740 5.250 -24.881 1.00 0.00 O ATOM 975 CB THR A 65 -5.809 2.549 -23.765 1.00 0.00 C ATOM 976 OG1 THR A 65 -4.708 2.490 -24.668 1.00 0.00 O ATOM 977 CG2 THR A 65 -7.038 2.440 -24.669 1.00 0.00 C ATOM 0 H THR A 65 -7.546 3.426 -22.296 1.00 0.00 H new ATOM 0 HA THR A 65 -4.713 3.979 -22.616 1.00 0.00 H new ATOM 0 HB THR A 65 -5.860 1.784 -22.990 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.405 3.399 -24.874 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.081 1.443 -25.106 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.939 2.617 -24.081 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.972 3.182 -25.464 1.00 0.00 H new ATOM 985 N ASP A 66 -6.775 5.840 -24.090 1.00 0.00 N ATOM 986 CA ASP A 66 -6.920 6.971 -24.991 1.00 0.00 C ATOM 987 C ASP A 66 -6.237 8.195 -24.380 1.00 0.00 C ATOM 988 O ASP A 66 -6.177 9.254 -25.004 1.00 0.00 O ATOM 989 CB ASP A 66 -8.395 7.313 -25.212 1.00 0.00 C ATOM 990 CG ASP A 66 -9.320 6.107 -25.387 1.00 0.00 C ATOM 991 OD1 ASP A 66 -8.806 5.058 -25.832 1.00 0.00 O ATOM 992 OD2 ASP A 66 -10.519 6.261 -25.070 1.00 0.00 O ATOM 0 H ASP A 66 -7.562 5.695 -23.457 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.465 6.703 -25.945 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.747 7.901 -24.365 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.477 7.946 -26.096 1.00 0.00 H new ATOM 997 N VAL A 67 -5.740 8.011 -23.165 1.00 0.00 N ATOM 998 CA VAL A 67 -5.064 9.087 -22.462 1.00 0.00 C ATOM 999 C VAL A 67 -3.623 9.194 -22.967 1.00 0.00 C ATOM 1000 O VAL A 67 -3.000 10.249 -22.854 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.153 8.863 -20.951 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.759 8.751 -20.330 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -5.965 9.972 -20.279 1.00 0.00 C ATOM 0 H VAL A 67 -5.792 7.132 -22.650 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.551 10.041 -22.664 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.672 7.919 -20.783 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.851 8.592 -19.256 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.228 7.911 -20.777 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.204 9.671 -20.515 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.013 9.789 -19.206 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.487 10.935 -20.462 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.974 9.984 -20.690 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.137 8.089 -23.511 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.782 8.044 -24.033 1.00 0.00 C ATOM 1015 C ARG A 68 -1.690 8.838 -25.338 1.00 0.00 C ATOM 1016 O ARG A 68 -0.645 9.405 -25.652 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.336 6.604 -24.288 1.00 0.00 C ATOM 1018 CG ARG A 68 0.014 6.566 -25.007 1.00 0.00 C ATOM 1019 CD ARG A 68 0.605 5.155 -24.992 1.00 0.00 C ATOM 1020 NE ARG A 68 1.401 4.925 -26.217 1.00 0.00 N ATOM 1021 CZ ARG A 68 0.870 4.732 -27.433 1.00 0.00 C ATOM 1022 NH1 ARG A 68 -0.461 4.740 -27.592 1.00 0.00 N ATOM 1023 NH2 ARG A 68 1.669 4.532 -28.489 1.00 0.00 N ATOM 0 H ARG A 68 -3.658 7.217 -23.602 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.124 8.488 -23.286 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.263 6.069 -23.341 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.086 6.088 -24.888 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.109 6.901 -26.037 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.705 7.259 -24.527 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.233 5.025 -24.111 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.195 4.418 -24.925 1.00 0.00 H new ATOM 0 HE ARG A 68 2.417 4.912 -26.132 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.070 4.893 -26.788 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.865 4.593 -28.517 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.682 4.526 -28.368 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.265 4.385 -29.414 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.798 8.850 -26.065 1.00 0.00 N ATOM 1038 CA GLU A 69 -2.855 9.564 -27.330 1.00 0.00 C ATOM 1039 C GLU A 69 -3.387 10.982 -27.115 1.00 0.00 C ATOM 1040 O GLU A 69 -3.651 11.703 -28.077 1.00 0.00 O ATOM 1041 CB GLU A 69 -3.710 8.806 -28.348 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.176 8.769 -27.914 1.00 0.00 C ATOM 1043 CD GLU A 69 -5.967 7.752 -28.739 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -5.914 7.866 -29.983 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -6.606 6.882 -28.108 1.00 0.00 O ATOM 0 H GLU A 69 -3.663 8.377 -25.803 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.844 9.633 -27.733 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.628 9.284 -29.324 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.334 7.789 -28.458 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.239 8.513 -26.856 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.618 9.759 -28.029 1.00 0.00 H new ATOM 1052 N LEU A 70 -3.531 11.340 -25.847 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.027 12.660 -25.494 1.00 0.00 C ATOM 1054 C LEU A 70 -2.882 13.672 -25.585 1.00 0.00 C ATOM 1055 O LEU A 70 -2.948 14.621 -26.364 1.00 0.00 O ATOM 1056 CB LEU A 70 -4.710 12.627 -24.126 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.175 13.066 -24.097 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.311 14.546 -24.464 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.034 12.172 -24.995 1.00 0.00 C ATOM 0 H LEU A 70 -3.313 10.739 -25.052 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.793 12.980 -26.200 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.648 11.611 -23.736 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.147 13.265 -23.445 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.546 12.951 -23.079 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.362 14.833 -24.436 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.751 15.151 -23.751 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.917 14.710 -25.467 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.071 12.506 -24.956 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.672 12.232 -26.021 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.972 11.141 -24.648 1.00 0.00 H new ATOM 1071 N SER A 71 -1.858 13.434 -24.777 1.00 0.00 N ATOM 1072 CA SER A 71 -0.701 14.312 -24.757 1.00 0.00 C ATOM 1073 C SER A 71 0.298 13.885 -25.834 1.00 0.00 C ATOM 1074 O SER A 71 1.380 13.391 -25.520 1.00 0.00 O ATOM 1075 CB SER A 71 -0.033 14.310 -23.381 1.00 0.00 C ATOM 1076 OG SER A 71 -0.742 15.114 -22.442 1.00 0.00 O ATOM 0 H SER A 71 -1.806 12.646 -24.132 1.00 0.00 H new ATOM 0 HA SER A 71 -1.038 15.328 -24.966 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.028 13.287 -23.009 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.989 14.677 -23.474 1.00 0.00 H new ATOM 0 HG SER A 71 -0.285 15.085 -21.576 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.099 14.091 -27.081 1.00 0.00 N ATOM 1083 CA LYS A 72 0.749 13.734 -28.205 1.00 0.00 C ATOM 1084 C LYS A 72 1.851 14.783 -28.361 1.00 0.00 C ATOM 1085 O LYS A 72 3.031 14.443 -28.439 1.00 0.00 O ATOM 1086 CB LYS A 72 -0.091 13.533 -29.467 1.00 0.00 C ATOM 1087 CG LYS A 72 -0.113 12.061 -29.884 1.00 0.00 C ATOM 1088 CD LYS A 72 -0.110 11.921 -31.408 1.00 0.00 C ATOM 1089 CE LYS A 72 -0.423 10.484 -31.828 1.00 0.00 C ATOM 1090 NZ LYS A 72 -1.255 10.471 -33.051 1.00 0.00 N ATOM 0 H LYS A 72 -0.997 14.501 -27.338 1.00 0.00 H new ATOM 0 HA LYS A 72 1.241 12.779 -28.022 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.109 13.879 -29.289 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.314 14.138 -30.278 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.754 11.548 -29.467 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.998 11.576 -29.473 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.846 12.598 -31.840 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.863 12.215 -31.802 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.505 9.941 -32.007 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.944 9.968 -31.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.458 9.488 -33.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.148 10.971 -32.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.744 10.945 -33.823 1.00 0.00 H new ATOM 1104 N THR A 73 1.428 16.038 -28.401 1.00 0.00 N ATOM 1105 CA THR A 73 2.365 17.139 -28.546 1.00 0.00 C ATOM 1106 C THR A 73 2.842 17.618 -27.174 1.00 0.00 C ATOM 1107 O THR A 73 4.005 17.979 -27.009 1.00 0.00 O ATOM 1108 CB THR A 73 1.683 18.234 -29.369 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.730 17.745 -30.706 1.00 0.00 O ATOM 1110 CG2 THR A 73 2.501 19.526 -29.416 1.00 0.00 C ATOM 0 H THR A 73 0.449 16.317 -28.336 1.00 0.00 H new ATOM 0 HA THR A 73 3.264 16.826 -29.076 1.00 0.00 H new ATOM 0 HB THR A 73 0.699 18.442 -28.950 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.307 18.394 -31.307 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.972 20.270 -30.012 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.641 19.905 -28.404 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.473 19.325 -29.866 1.00 0.00 H new ATOM 1118 N TYR A 74 1.918 17.605 -26.224 1.00 0.00 N ATOM 1119 CA TYR A 74 2.230 18.033 -24.871 1.00 0.00 C ATOM 1120 C TYR A 74 3.469 17.311 -24.339 1.00 0.00 C ATOM 1121 O TYR A 74 4.359 17.937 -23.766 1.00 0.00 O ATOM 1122 CB TYR A 74 1.021 17.644 -24.018 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.270 18.370 -24.399 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.213 19.627 -24.968 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.492 17.769 -24.175 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.429 20.310 -25.327 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.708 18.452 -24.534 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.617 19.689 -25.092 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.764 20.334 -25.432 1.00 0.00 O ATOM 0 H TYR A 74 0.953 17.305 -26.365 1.00 0.00 H new ATOM 0 HA TYR A 74 2.434 19.103 -24.844 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.860 16.569 -24.103 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.246 17.850 -22.972 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.743 20.098 -25.144 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.536 16.786 -23.730 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.399 21.293 -25.773 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.670 17.992 -24.364 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.534 19.771 -25.208 1.00 0.00 H new ATOM 1139 N ILE A 75 3.486 16.002 -24.547 1.00 0.00 N ATOM 1140 CA ILE A 75 4.602 15.188 -24.095 1.00 0.00 C ATOM 1141 C ILE A 75 5.895 15.999 -24.199 1.00 0.00 C ATOM 1142 O ILE A 75 6.093 16.737 -25.163 1.00 0.00 O ATOM 1143 CB ILE A 75 4.644 13.864 -24.861 1.00 0.00 C ATOM 1144 CG1 ILE A 75 3.832 12.788 -24.138 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.087 13.422 -25.114 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.614 12.214 -22.954 1.00 0.00 C ATOM 0 H ILE A 75 2.746 15.486 -25.022 1.00 0.00 H new ATOM 0 HA ILE A 75 4.477 14.920 -23.046 1.00 0.00 H new ATOM 0 HB ILE A 75 4.180 14.017 -25.835 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.892 13.212 -23.786 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.580 11.988 -24.834 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.088 12.479 -25.660 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.603 14.182 -25.701 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.600 13.290 -24.161 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.014 11.451 -22.457 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.542 11.769 -23.312 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.843 13.012 -22.248 1.00 0.00 H new ATOM 1158 N ILE A 76 6.742 15.835 -23.194 1.00 0.00 N ATOM 1159 CA ILE A 76 8.011 16.543 -23.160 1.00 0.00 C ATOM 1160 C ILE A 76 9.137 15.579 -23.538 1.00 0.00 C ATOM 1161 O ILE A 76 9.985 15.905 -24.367 1.00 0.00 O ATOM 1162 CB ILE A 76 8.210 17.220 -21.802 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.287 16.504 -20.985 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.886 17.325 -21.042 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.801 17.396 -19.854 1.00 0.00 C ATOM 0 H ILE A 76 6.575 15.222 -22.396 1.00 0.00 H new ATOM 0 HA ILE A 76 8.019 17.348 -23.895 1.00 0.00 H new ATOM 0 HB ILE A 76 8.562 18.237 -21.975 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.880 15.582 -20.569 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.115 16.222 -21.636 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.056 17.810 -20.081 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.177 17.913 -21.625 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.480 16.327 -20.878 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.566 16.863 -19.289 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.229 18.306 -20.274 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.975 17.656 -19.192 1.00 0.00 H new ATOM 1177 N GLY A 77 9.110 14.412 -22.911 1.00 0.00 N ATOM 1178 CA GLY A 77 10.119 13.400 -23.172 1.00 0.00 C ATOM 1179 C GLY A 77 10.214 12.409 -22.009 1.00 0.00 C ATOM 1180 O GLY A 77 9.282 11.644 -21.763 1.00 0.00 O ATOM 0 H GLY A 77 8.406 14.145 -22.223 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.875 12.866 -24.091 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.086 13.877 -23.328 1.00 0.00 H new ATOM 1184 N GLU A 78 11.347 12.455 -21.326 1.00 0.00 N ATOM 1185 CA GLU A 78 11.577 11.571 -20.196 1.00 0.00 C ATOM 1186 C GLU A 78 12.818 12.015 -19.418 1.00 0.00 C ATOM 1187 O GLU A 78 13.919 12.049 -19.966 1.00 0.00 O ATOM 1188 CB GLU A 78 11.707 10.118 -20.654 1.00 0.00 C ATOM 1189 CG GLU A 78 12.645 10.004 -21.857 1.00 0.00 C ATOM 1190 CD GLU A 78 12.186 8.896 -22.807 1.00 0.00 C ATOM 1191 OE1 GLU A 78 11.000 8.939 -23.198 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.033 8.032 -23.122 1.00 0.00 O ATOM 0 H GLU A 78 12.117 13.091 -21.533 1.00 0.00 H new ATOM 0 HA GLU A 78 10.715 11.632 -19.531 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.085 9.507 -19.834 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.724 9.726 -20.916 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.676 10.955 -22.389 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.659 9.797 -21.514 1.00 0.00 H new ATOM 1199 N LEU A 79 12.599 12.344 -18.154 1.00 0.00 N ATOM 1200 CA LEU A 79 13.686 12.784 -17.296 1.00 0.00 C ATOM 1201 C LEU A 79 14.780 11.713 -17.276 1.00 0.00 C ATOM 1202 O LEU A 79 14.542 10.571 -17.667 1.00 0.00 O ATOM 1203 CB LEU A 79 13.158 13.149 -15.907 1.00 0.00 C ATOM 1204 CG LEU A 79 13.108 12.010 -14.887 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.759 10.683 -15.564 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.414 11.924 -14.096 1.00 0.00 C ATOM 0 H LEU A 79 11.685 12.315 -17.703 1.00 0.00 H new ATOM 0 HA LEU A 79 14.137 13.695 -17.690 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.781 13.946 -15.501 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.153 13.555 -16.018 1.00 0.00 H new ATOM 0 HG LEU A 79 12.313 12.226 -14.173 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.730 9.890 -14.817 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.784 10.765 -16.044 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.514 10.447 -16.314 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.351 11.106 -13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.243 11.743 -14.781 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.580 12.861 -13.565 1.00 0.00 H new ATOM 1218 N HIS A 80 15.953 12.120 -16.815 1.00 0.00 N ATOM 1219 CA HIS A 80 17.083 11.211 -16.739 1.00 0.00 C ATOM 1220 C HIS A 80 16.613 9.851 -16.219 1.00 0.00 C ATOM 1221 O HIS A 80 15.769 9.781 -15.327 1.00 0.00 O ATOM 1222 CB HIS A 80 18.208 11.812 -15.895 1.00 0.00 C ATOM 1223 CG HIS A 80 19.582 11.285 -16.237 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.398 10.661 -15.310 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.272 11.294 -17.413 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.527 10.316 -15.912 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.447 10.710 -17.215 1.00 0.00 N ATOM 0 H HIS A 80 16.145 13.068 -16.490 1.00 0.00 H new ATOM 0 HA HIS A 80 17.498 11.057 -17.735 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.204 12.895 -16.021 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.005 11.612 -14.843 1.00 0.00 H new ATOM 0 HD1 HIS A 80 20.169 10.495 -14.330 1.00 0.00 H new ATOM 0 HD2 HIS A 80 19.922 11.707 -18.348 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.364 9.811 -15.452 1.00 0.00 H new ATOM 1235 N PRO A 81 17.196 8.775 -16.814 1.00 0.00 N ATOM 1236 CA PRO A 81 16.846 7.421 -16.420 1.00 0.00 C ATOM 1237 C PRO A 81 17.476 7.062 -15.073 1.00 0.00 C ATOM 1238 O PRO A 81 16.937 6.243 -14.330 1.00 0.00 O ATOM 1239 CB PRO A 81 17.335 6.541 -17.558 1.00 0.00 C ATOM 1240 CG PRO A 81 18.348 7.376 -18.324 1.00 0.00 C ATOM 1241 CD PRO A 81 18.200 8.819 -17.873 1.00 0.00 C ATOM 0 HA PRO A 81 15.775 7.291 -16.267 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.790 5.627 -17.177 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.509 6.241 -18.203 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.360 7.018 -18.133 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.178 7.292 -19.397 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.146 9.218 -17.506 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.881 9.460 -18.695 1.00 0.00 H new ATOM 1249 N ASP A 82 18.610 7.692 -14.799 1.00 0.00 N ATOM 1250 CA ASP A 82 19.318 7.448 -13.554 1.00 0.00 C ATOM 1251 C ASP A 82 18.599 8.169 -12.413 1.00 0.00 C ATOM 1252 O ASP A 82 18.606 7.700 -11.276 1.00 0.00 O ATOM 1253 CB ASP A 82 20.751 7.984 -13.623 1.00 0.00 C ATOM 1254 CG ASP A 82 21.843 6.915 -13.558 1.00 0.00 C ATOM 1255 OD1 ASP A 82 21.571 5.862 -12.943 1.00 0.00 O ATOM 1256 OD2 ASP A 82 22.927 7.177 -14.125 1.00 0.00 O ATOM 0 H ASP A 82 19.055 8.370 -15.417 1.00 0.00 H new ATOM 0 HA ASP A 82 19.342 6.372 -13.384 1.00 0.00 H new ATOM 0 HB2 ASP A 82 20.869 8.547 -14.549 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.901 8.686 -12.802 1.00 0.00 H new ATOM 1261 N ASP A 83 17.994 9.297 -12.755 1.00 0.00 N ATOM 1262 CA ASP A 83 17.272 10.087 -11.773 1.00 0.00 C ATOM 1263 C ASP A 83 15.838 9.565 -11.660 1.00 0.00 C ATOM 1264 O ASP A 83 15.159 9.818 -10.667 1.00 0.00 O ATOM 1265 CB ASP A 83 17.208 11.558 -12.188 1.00 0.00 C ATOM 1266 CG ASP A 83 18.559 12.273 -12.248 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.337 11.939 -13.166 1.00 0.00 O ATOM 1268 OD2 ASP A 83 18.782 13.138 -11.373 1.00 0.00 O ATOM 0 H ASP A 83 17.989 9.683 -13.699 1.00 0.00 H new ATOM 0 HA ASP A 83 17.797 10.004 -10.821 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.736 11.623 -13.168 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.564 12.090 -11.488 1.00 0.00 H new ATOM 1273 N ARG A 84 15.422 8.845 -12.690 1.00 0.00 N ATOM 1274 CA ARG A 84 14.081 8.284 -12.719 1.00 0.00 C ATOM 1275 C ARG A 84 13.956 7.157 -11.694 1.00 0.00 C ATOM 1276 O ARG A 84 12.877 6.922 -11.151 1.00 0.00 O ATOM 1277 CB ARG A 84 13.741 7.741 -14.108 1.00 0.00 C ATOM 1278 CG ARG A 84 12.894 6.470 -14.008 1.00 0.00 C ATOM 1279 CD ARG A 84 13.779 5.234 -13.831 1.00 0.00 C ATOM 1280 NE ARG A 84 13.185 4.081 -14.545 1.00 0.00 N ATOM 1281 CZ ARG A 84 12.219 3.303 -14.042 1.00 0.00 C ATOM 1282 NH1 ARG A 84 11.730 3.549 -12.818 1.00 0.00 N ATOM 1283 NH2 ARG A 84 11.741 2.278 -14.760 1.00 0.00 N ATOM 0 H ARG A 84 15.989 8.636 -13.512 1.00 0.00 H new ATOM 0 HA ARG A 84 13.382 9.083 -12.473 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.201 8.498 -14.676 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.660 7.528 -14.654 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.206 6.552 -13.167 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.287 6.361 -14.907 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.779 5.434 -14.215 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.885 5.001 -12.772 1.00 0.00 H new ATOM 0 HE ARG A 84 13.534 3.866 -15.479 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.094 4.329 -12.271 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.994 2.956 -12.434 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.113 2.090 -15.691 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.005 1.686 -14.376 1.00 0.00 H new ATOM 1297 N SER A 85 15.074 6.486 -11.458 1.00 0.00 N ATOM 1298 CA SER A 85 15.103 5.388 -10.506 1.00 0.00 C ATOM 1299 C SER A 85 15.395 5.921 -9.102 1.00 0.00 C ATOM 1300 O SER A 85 15.263 5.193 -8.119 1.00 0.00 O ATOM 1301 CB SER A 85 16.145 4.342 -10.904 1.00 0.00 C ATOM 1302 OG SER A 85 15.774 3.032 -10.485 1.00 0.00 O ATOM 0 H SER A 85 15.967 6.682 -11.910 1.00 0.00 H new ATOM 0 HA SER A 85 14.125 4.906 -10.509 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.275 4.353 -11.986 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.108 4.604 -10.465 1.00 0.00 H new ATOM 0 HG SER A 85 16.464 2.393 -10.759 1.00 0.00 H new ATOM 1308 N LYS A 86 15.786 7.185 -9.053 1.00 0.00 N ATOM 1309 CA LYS A 86 16.097 7.823 -7.784 1.00 0.00 C ATOM 1310 C LYS A 86 14.857 8.557 -7.270 1.00 0.00 C ATOM 1311 O LYS A 86 14.785 8.912 -6.094 1.00 0.00 O ATOM 1312 CB LYS A 86 17.328 8.721 -7.924 1.00 0.00 C ATOM 1313 CG LYS A 86 18.597 7.886 -8.110 1.00 0.00 C ATOM 1314 CD LYS A 86 19.775 8.766 -8.530 1.00 0.00 C ATOM 1315 CE LYS A 86 20.862 8.778 -7.453 1.00 0.00 C ATOM 1316 NZ LYS A 86 22.119 9.344 -7.992 1.00 0.00 N ATOM 0 H LYS A 86 15.895 7.785 -9.871 1.00 0.00 H new ATOM 0 HA LYS A 86 16.359 7.075 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.200 9.389 -8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.428 9.348 -7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.837 7.370 -7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.424 7.119 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.192 8.399 -9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.427 9.783 -8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.529 9.366 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.037 7.764 -7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.846 9.345 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 22.444 8.767 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.951 10.319 -8.313 1.00 0.00 H new ATOM 1330 N ILE A 87 13.911 8.763 -8.175 1.00 0.00 N ATOM 1331 CA ILE A 87 12.678 9.447 -7.827 1.00 0.00 C ATOM 1332 C ILE A 87 11.851 8.557 -6.897 1.00 0.00 C ATOM 1333 O ILE A 87 10.817 8.982 -6.381 1.00 0.00 O ATOM 1334 CB ILE A 87 11.930 9.879 -9.089 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.474 11.207 -9.620 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.421 9.936 -8.842 1.00 0.00 C ATOM 1337 CD1 ILE A 87 12.024 11.447 -11.064 1.00 0.00 C ATOM 0 H ILE A 87 13.974 8.468 -9.149 1.00 0.00 H new ATOM 0 HA ILE A 87 12.894 10.366 -7.282 1.00 0.00 H new ATOM 0 HB ILE A 87 12.101 9.128 -9.860 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.129 12.025 -8.987 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.563 11.204 -9.571 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.914 10.246 -9.756 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.063 8.950 -8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.209 10.653 -8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.424 12.397 -11.417 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.392 10.641 -11.698 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.935 11.474 -11.106 1.00 0.00 H new ATOM 1349 N ALA A 88 12.335 7.338 -6.711 1.00 0.00 N ATOM 1350 CA ALA A 88 11.653 6.385 -5.852 1.00 0.00 C ATOM 1351 C ALA A 88 11.693 6.886 -4.408 1.00 0.00 C ATOM 1352 O ALA A 88 12.304 6.258 -3.545 1.00 0.00 O ATOM 1353 CB ALA A 88 12.297 5.006 -6.008 1.00 0.00 C ATOM 0 H ALA A 88 13.191 6.988 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 88 10.606 6.291 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.786 4.291 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 88 12.216 4.682 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.348 5.061 -5.726 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -6.141 12.571 -15.729 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.487 12.274 -15.741 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.129 12.616 -19.126 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.778 12.893 -15.698 1.00 0.00 C HETATM 1364 CHD HEM A 95 -6.136 12.549 -12.316 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.553 12.453 -17.137 1.00 0.00 N HETATM 1366 C1A HEM A 95 -8.899 12.344 -16.927 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.568 12.294 -18.223 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.620 12.397 -19.168 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.361 12.509 -18.488 1.00 0.00 C HETATM 1370 CMA HEM A 95 -8.864 12.352 -20.669 1.00 0.00 C HETATM 1371 CAA HEM A 95 -10.915 11.566 -18.573 1.00 0.00 C HETATM 1372 CBA HEM A 95 -10.965 10.104 -19.075 1.00 0.00 C HETATM 1373 CGA HEM A 95 -10.035 9.176 -18.305 1.00 0.00 C HETATM 1374 O1A HEM A 95 -10.064 9.193 -17.050 1.00 0.00 O HETATM 1375 O2A HEM A 95 -9.273 8.406 -18.944 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.726 12.715 -17.123 1.00 0.00 N HETATM 1377 C1B HEM A 95 -4.920 12.711 -18.471 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.649 12.844 -19.163 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.707 12.921 -18.211 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.379 12.860 -16.913 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.392 12.867 -20.661 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.222 13.056 -18.444 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.507 12.708 -19.371 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.729 12.711 -14.292 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.383 12.831 -14.488 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.697 12.870 -13.218 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.676 12.794 -12.241 1.00 0.00 C HETATM 1388 C4C HEM A 95 -4.926 12.669 -12.925 1.00 0.00 C HETATM 1389 CMC HEM A 95 -1.236 13.011 -12.941 1.00 0.00 C HETATM 1390 CAC HEM A 95 -3.403 12.815 -10.772 1.00 0.00 C HETATM 1391 CBC HEM A 95 -2.538 13.222 -10.226 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.557 12.443 -14.312 1.00 0.00 N HETATM 1393 C1D HEM A 95 -7.356 12.447 -12.946 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.660 12.322 -12.264 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.558 12.246 -13.232 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.887 12.324 -14.507 1.00 0.00 C HETATM 1397 CMD HEM A 95 -8.873 12.299 -10.781 1.00 0.00 C HETATM 1398 CAD HEM A 95 -11.169 12.350 -13.214 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.793 10.934 -13.137 1.00 0.00 C HETATM 1400 CGD HEM A 95 -12.675 10.643 -14.350 1.00 0.00 C HETATM 1401 O1D HEM A 95 -12.400 10.925 -15.515 1.00 0.00 O HETATM 1402 O2D HEM A 95 -13.887 10.321 -13.920 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -8.088 12.921 -21.181 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -9.839 12.786 -20.892 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -8.841 11.317 -21.011 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -2.513 13.476 -20.870 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -4.257 13.290 -21.172 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.222 11.851 -21.017 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.666 12.572 -13.760 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -0.991 12.497 -12.012 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -0.983 14.067 -12.849 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -9.850 12.722 -10.547 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -8.097 12.888 -10.293 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -8.828 11.271 -10.423 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.564 12.907 -19.338 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -0.940 12.198 -20.232 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -2.498 13.153 -9.139 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -1.722 13.694 -10.772 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -10.699 10.080 -20.132 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -11.987 9.733 -18.994 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -11.409 12.173 -19.332 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.534 11.609 -17.677 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -12.385 10.845 -12.226 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -11.000 10.189 -13.076 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.518 12.862 -14.111 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.493 12.946 -12.361 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.561 12.165 -15.746 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.120 12.625 -20.206 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.701 12.978 -15.695 1.00 0.00 H new HETATM 0 HHD HEM A 95 -6.140 12.532 -11.236 1.00 0.00 H new HETATM 0 HAB HEM A 95 -0.689 13.557 -17.636 1.00 0.00 H new HETATM 0 HAC HEM A 95 -4.174 12.360 -10.149 1.00 0.00 H new