USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 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 120:sc= 1.29 USER MOD Set 1.2: A 95 HEM CMB :methyl -30:sc= -4.38! (180deg=-4.83!) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -3.65! C(o=-3!,f=-2.6!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 178:sc= 0.671 (180deg=0.464) 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 131:sc= -2.48 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.21! C(o=-1.2!,f=-2.6!) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -0.0276 (180deg=-0.273) USER MOD Single : A 15 HIS : no HD1:sc= -14.1! C(o=-14!,f=-9.9!) 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 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 65:sc= 1.12 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 131:sc= 0.204 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.45) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.375 K(o=-0.37,f=-1.3!) 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 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 HD1:sc= -3.74 K(o=-3.7,f=-5.8!) USER MOD Single : A 85 SER OG : rot -40:sc= 0.0834 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.604 (180deg=-2.85!) USER MOD Single : A 95 HEM CMC :methyl 150:sc= -2.96! (180deg=-2.96!) USER MOD Single : A 95 HEM CMD :methyl 150:sc= -0.494 (180deg=-0.494) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.236 14.038 -27.711 1.00 0.00 N ATOM 2 CA VAL A 4 13.931 14.236 -26.304 1.00 0.00 C ATOM 3 C VAL A 4 15.217 14.587 -25.552 1.00 0.00 C ATOM 4 O VAL A 4 16.286 14.070 -25.870 1.00 0.00 O ATOM 5 CB VAL A 4 13.228 12.999 -25.742 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.549 12.813 -24.257 1.00 0.00 C ATOM 7 CG2 VAL A 4 11.717 13.076 -25.971 1.00 0.00 C ATOM 0 HA VAL A 4 13.242 15.071 -26.176 1.00 0.00 H new ATOM 0 HB VAL A 4 13.604 12.127 -26.278 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.037 11.927 -23.882 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.625 12.691 -24.130 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.214 13.688 -23.700 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.241 12.185 -25.562 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.318 13.960 -25.474 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.514 13.138 -27.040 1.00 0.00 H new ATOM 17 N LYS A 5 15.069 15.462 -24.569 1.00 0.00 N ATOM 18 CA LYS A 5 16.206 15.887 -23.769 1.00 0.00 C ATOM 19 C LYS A 5 16.134 15.220 -22.394 1.00 0.00 C ATOM 20 O LYS A 5 15.067 15.160 -21.784 1.00 0.00 O ATOM 21 CB LYS A 5 16.276 17.415 -23.709 1.00 0.00 C ATOM 22 CG LYS A 5 17.675 17.914 -24.077 1.00 0.00 C ATOM 23 CD LYS A 5 17.678 18.561 -25.463 1.00 0.00 C ATOM 24 CE LYS A 5 18.965 19.356 -25.694 1.00 0.00 C ATOM 25 NZ LYS A 5 18.872 20.689 -25.058 1.00 0.00 N ATOM 0 H LYS A 5 14.180 15.888 -24.308 1.00 0.00 H new ATOM 0 HA LYS A 5 17.139 15.565 -24.231 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.542 17.843 -24.391 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.016 17.756 -22.707 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.015 18.635 -23.334 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.379 17.082 -24.058 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.580 17.791 -26.228 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.816 19.221 -25.562 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.815 18.810 -25.285 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.143 19.468 -26.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.753 21.215 -25.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.073 21.214 -25.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.724 20.576 -24.035 1.00 0.00 H new ATOM 39 N TYR A 6 17.283 14.736 -21.946 1.00 0.00 N ATOM 40 CA TYR A 6 17.365 14.075 -20.655 1.00 0.00 C ATOM 41 C TYR A 6 17.610 15.089 -19.535 1.00 0.00 C ATOM 42 O TYR A 6 18.755 15.432 -19.244 1.00 0.00 O ATOM 43 CB TYR A 6 18.562 13.127 -20.740 1.00 0.00 C ATOM 44 CG TYR A 6 18.281 11.837 -21.513 1.00 0.00 C ATOM 45 CD1 TYR A 6 17.068 11.197 -21.368 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.242 11.313 -22.354 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.803 9.983 -22.095 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.977 10.099 -23.081 1.00 0.00 C ATOM 49 CZ TYR A 6 17.770 9.493 -22.915 1.00 0.00 C ATOM 50 OH TYR A 6 17.520 8.346 -23.601 1.00 0.00 O ATOM 0 H TYR A 6 18.166 14.789 -22.455 1.00 0.00 H new ATOM 0 HA TYR A 6 16.435 13.553 -20.432 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.393 13.649 -21.215 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.882 12.871 -19.730 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.317 11.607 -20.709 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.192 11.814 -22.467 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.857 9.473 -21.991 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.719 9.679 -23.743 1.00 0.00 H new ATOM 0 HH TYR A 6 18.300 8.115 -24.148 1.00 0.00 H new ATOM 60 N TYR A 7 16.516 15.539 -18.938 1.00 0.00 N ATOM 61 CA TYR A 7 16.598 16.506 -17.857 1.00 0.00 C ATOM 62 C TYR A 7 16.370 15.834 -16.502 1.00 0.00 C ATOM 63 O TYR A 7 15.399 15.101 -16.323 1.00 0.00 O ATOM 64 CB TYR A 7 15.476 17.515 -18.108 1.00 0.00 C ATOM 65 CG TYR A 7 14.581 17.167 -19.298 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.576 16.232 -19.157 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.779 17.788 -20.515 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.733 15.905 -20.278 1.00 0.00 C ATOM 69 CE2 TYR A 7 13.937 17.461 -21.636 1.00 0.00 C ATOM 70 CZ TYR A 7 12.956 16.536 -21.463 1.00 0.00 C ATOM 71 OH TYR A 7 12.160 16.227 -22.522 1.00 0.00 O ATOM 0 H TYR A 7 15.568 15.252 -19.183 1.00 0.00 H new ATOM 0 HA TYR A 7 17.583 16.973 -17.834 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.860 17.588 -17.212 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.916 18.499 -18.273 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.421 15.745 -18.205 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.566 18.519 -20.626 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.942 15.176 -20.180 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.082 17.940 -22.593 1.00 0.00 H new ATOM 0 HH TYR A 7 11.830 17.052 -22.935 1.00 0.00 H new ATOM 81 N THR A 8 17.282 16.108 -15.580 1.00 0.00 N ATOM 82 CA THR A 8 17.193 15.538 -14.247 1.00 0.00 C ATOM 83 C THR A 8 16.140 16.279 -13.420 1.00 0.00 C ATOM 84 O THR A 8 15.789 17.416 -13.731 1.00 0.00 O ATOM 85 CB THR A 8 18.590 15.574 -13.623 1.00 0.00 C ATOM 86 OG1 THR A 8 18.886 16.963 -13.513 1.00 0.00 O ATOM 87 CG2 THR A 8 19.667 15.036 -14.568 1.00 0.00 C ATOM 0 H THR A 8 18.086 16.717 -15.730 1.00 0.00 H new ATOM 0 HA THR A 8 16.863 14.500 -14.282 1.00 0.00 H new ATOM 0 HB THR A 8 18.591 14.991 -12.702 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.774 17.078 -13.116 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.639 15.084 -14.077 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.441 14.001 -14.826 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.689 15.639 -15.476 1.00 0.00 H new ATOM 95 N LEU A 9 15.666 15.604 -12.382 1.00 0.00 N ATOM 96 CA LEU A 9 14.661 16.185 -11.509 1.00 0.00 C ATOM 97 C LEU A 9 14.996 17.657 -11.259 1.00 0.00 C ATOM 98 O LEU A 9 14.098 18.482 -11.095 1.00 0.00 O ATOM 99 CB LEU A 9 14.524 15.359 -10.228 1.00 0.00 C ATOM 100 CG LEU A 9 13.700 14.075 -10.342 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.951 13.380 -11.682 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.966 13.146 -9.156 1.00 0.00 C ATOM 0 H LEU A 9 15.960 14.661 -12.127 1.00 0.00 H new ATOM 0 HA LEU A 9 13.681 16.158 -11.986 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.523 15.096 -9.880 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.075 15.988 -9.460 1.00 0.00 H new ATOM 0 HG LEU A 9 12.644 14.343 -10.311 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.353 12.470 -11.738 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.671 14.048 -12.496 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.007 13.126 -11.768 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.368 12.241 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.023 12.882 -9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.697 13.653 -8.229 1.00 0.00 H new ATOM 114 N GLU A 10 16.290 17.941 -11.239 1.00 0.00 N ATOM 115 CA GLU A 10 16.754 19.299 -11.012 1.00 0.00 C ATOM 116 C GLU A 10 15.978 20.279 -11.893 1.00 0.00 C ATOM 117 O GLU A 10 15.896 21.467 -11.584 1.00 0.00 O ATOM 118 CB GLU A 10 18.260 19.412 -11.260 1.00 0.00 C ATOM 119 CG GLU A 10 18.955 20.121 -10.096 1.00 0.00 C ATOM 120 CD GLU A 10 20.450 19.797 -10.072 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.777 18.610 -10.286 1.00 0.00 O ATOM 122 OE2 GLU A 10 21.233 20.744 -9.841 1.00 0.00 O ATOM 0 H GLU A 10 17.031 17.254 -11.376 1.00 0.00 H new ATOM 0 HA GLU A 10 16.571 19.556 -9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.686 18.417 -11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.440 19.961 -12.184 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.814 21.198 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.498 19.816 -9.155 1.00 0.00 H new ATOM 129 N GLU A 11 15.428 19.746 -12.974 1.00 0.00 N ATOM 130 CA GLU A 11 14.662 20.559 -13.902 1.00 0.00 C ATOM 131 C GLU A 11 13.165 20.435 -13.606 1.00 0.00 C ATOM 132 O GLU A 11 12.489 21.438 -13.378 1.00 0.00 O ATOM 133 CB GLU A 11 14.967 20.173 -15.352 1.00 0.00 C ATOM 134 CG GLU A 11 16.476 20.096 -15.591 1.00 0.00 C ATOM 135 CD GLU A 11 17.189 21.311 -14.997 1.00 0.00 C ATOM 136 OE1 GLU A 11 17.121 22.381 -15.641 1.00 0.00 O ATOM 137 OE2 GLU A 11 17.787 21.145 -13.912 1.00 0.00 O ATOM 0 H GLU A 11 15.498 18.761 -13.228 1.00 0.00 H new ATOM 0 HA GLU A 11 14.955 21.600 -13.768 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.509 19.211 -15.580 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.525 20.905 -16.028 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.872 19.184 -15.145 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.676 20.040 -16.661 1.00 0.00 H new ATOM 144 N ILE A 12 12.692 19.199 -13.619 1.00 0.00 N ATOM 145 CA ILE A 12 11.289 18.931 -13.354 1.00 0.00 C ATOM 146 C ILE A 12 10.896 19.565 -12.019 1.00 0.00 C ATOM 147 O ILE A 12 9.797 20.100 -11.881 1.00 0.00 O ATOM 148 CB ILE A 12 11.007 17.428 -13.427 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.337 16.876 -14.816 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.567 17.121 -13.015 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.516 15.904 -14.754 1.00 0.00 C ATOM 0 H ILE A 12 13.256 18.370 -13.809 1.00 0.00 H new ATOM 0 HA ILE A 12 10.663 19.387 -14.121 1.00 0.00 H new ATOM 0 HB ILE A 12 11.660 16.922 -12.716 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.464 16.368 -15.226 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.574 17.698 -15.491 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.392 16.047 -13.076 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.401 17.458 -11.992 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.879 17.639 -13.684 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.729 15.527 -15.754 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.394 16.421 -14.366 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.266 15.071 -14.097 1.00 0.00 H new ATOM 163 N GLN A 13 11.817 19.486 -11.069 1.00 0.00 N ATOM 164 CA GLN A 13 11.579 20.046 -9.749 1.00 0.00 C ATOM 165 C GLN A 13 11.279 21.542 -9.854 1.00 0.00 C ATOM 166 O GLN A 13 10.357 22.041 -9.210 1.00 0.00 O ATOM 167 CB GLN A 13 12.771 19.790 -8.823 1.00 0.00 C ATOM 168 CG GLN A 13 12.849 18.315 -8.424 1.00 0.00 C ATOM 169 CD GLN A 13 11.517 17.833 -7.845 1.00 0.00 C ATOM 170 OE1 GLN A 13 10.703 18.606 -7.366 1.00 0.00 O ATOM 171 NE2 GLN A 13 11.341 16.516 -7.915 1.00 0.00 N ATOM 0 H GLN A 13 12.728 19.043 -11.187 1.00 0.00 H new ATOM 0 HA GLN A 13 10.710 19.550 -9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.694 20.084 -9.323 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.681 20.408 -7.929 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.111 17.713 -9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.641 18.175 -7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.063 15.926 -8.329 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.484 16.096 -7.555 1.00 0.00 H new ATOM 180 N LYS A 14 12.074 22.218 -10.671 1.00 0.00 N ATOM 181 CA LYS A 14 11.903 23.647 -10.868 1.00 0.00 C ATOM 182 C LYS A 14 10.671 23.894 -11.742 1.00 0.00 C ATOM 183 O LYS A 14 10.235 25.033 -11.897 1.00 0.00 O ATOM 184 CB LYS A 14 13.186 24.268 -11.426 1.00 0.00 C ATOM 185 CG LYS A 14 14.232 24.447 -10.323 1.00 0.00 C ATOM 186 CD LYS A 14 14.258 25.894 -9.823 1.00 0.00 C ATOM 187 CE LYS A 14 15.188 26.753 -10.680 1.00 0.00 C ATOM 188 NZ LYS A 14 16.603 26.408 -10.417 1.00 0.00 N ATOM 0 H LYS A 14 12.838 21.802 -11.204 1.00 0.00 H new ATOM 0 HA LYS A 14 11.723 24.144 -9.915 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.589 23.633 -12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.960 25.234 -11.879 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.010 23.776 -9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.216 24.171 -10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.250 26.309 -9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.589 25.918 -8.785 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.961 26.603 -11.736 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.019 27.808 -10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.214 27.191 -10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.737 26.244 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.854 25.546 -10.942 1.00 0.00 H new ATOM 202 N HIS A 15 10.146 22.808 -12.289 1.00 0.00 N ATOM 203 CA HIS A 15 8.973 22.892 -13.142 1.00 0.00 C ATOM 204 C HIS A 15 7.720 22.567 -12.326 1.00 0.00 C ATOM 205 O HIS A 15 6.788 21.945 -12.834 1.00 0.00 O ATOM 206 CB HIS A 15 9.129 21.993 -14.370 1.00 0.00 C ATOM 207 CG HIS A 15 10.269 22.389 -15.280 1.00 0.00 C ATOM 208 ND1 HIS A 15 10.350 23.633 -15.881 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.371 21.694 -15.681 1.00 0.00 C ATOM 210 CE1 HIS A 15 11.455 23.672 -16.611 1.00 0.00 C ATOM 211 NE2 HIS A 15 12.087 22.469 -16.487 1.00 0.00 N ATOM 0 H HIS A 15 10.511 21.865 -12.158 1.00 0.00 H new ATOM 0 HA HIS A 15 8.866 23.909 -13.519 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.282 20.966 -14.039 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.200 22.009 -14.940 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.620 20.684 -15.392 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.796 24.510 -17.201 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.964 22.208 -16.938 1.00 0.00 H new ATOM 219 N LYS A 16 7.739 23.003 -11.075 1.00 0.00 N ATOM 220 CA LYS A 16 6.615 22.767 -10.183 1.00 0.00 C ATOM 221 C LYS A 16 5.904 24.093 -9.904 1.00 0.00 C ATOM 222 O LYS A 16 5.564 24.389 -8.759 1.00 0.00 O ATOM 223 CB LYS A 16 7.078 22.039 -8.921 1.00 0.00 C ATOM 224 CG LYS A 16 5.884 21.627 -8.057 1.00 0.00 C ATOM 225 CD LYS A 16 6.262 21.606 -6.574 1.00 0.00 C ATOM 226 CE LYS A 16 6.916 20.276 -6.193 1.00 0.00 C ATOM 227 NZ LYS A 16 8.214 20.510 -5.523 1.00 0.00 N ATOM 0 H LYS A 16 8.514 23.518 -10.658 1.00 0.00 H new ATOM 0 HA LYS A 16 5.886 22.108 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.654 21.156 -9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.741 22.685 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.059 22.321 -8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.534 20.641 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.946 22.427 -6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.371 21.765 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.255 19.715 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.065 19.668 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.644 19.597 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.848 21.026 -6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.063 21.071 -4.661 1.00 0.00 H new ATOM 241 N ASP A 17 5.701 24.855 -10.968 1.00 0.00 N ATOM 242 CA ASP A 17 5.036 26.142 -10.852 1.00 0.00 C ATOM 243 C ASP A 17 3.753 26.125 -11.683 1.00 0.00 C ATOM 244 O ASP A 17 3.521 25.196 -12.456 1.00 0.00 O ATOM 245 CB ASP A 17 5.926 27.270 -11.377 1.00 0.00 C ATOM 246 CG ASP A 17 6.829 27.924 -10.329 1.00 0.00 C ATOM 247 OD1 ASP A 17 6.672 27.565 -9.142 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.656 28.766 -10.739 1.00 0.00 O ATOM 0 H ASP A 17 5.985 24.606 -11.915 1.00 0.00 H new ATOM 0 HA ASP A 17 4.818 26.316 -9.798 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.551 26.876 -12.178 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.291 28.038 -11.817 1.00 0.00 H new ATOM 253 N SER A 18 2.951 27.163 -11.496 1.00 0.00 N ATOM 254 CA SER A 18 1.696 27.280 -12.219 1.00 0.00 C ATOM 255 C SER A 18 1.948 27.851 -13.617 1.00 0.00 C ATOM 256 O SER A 18 1.474 28.938 -13.941 1.00 0.00 O ATOM 257 CB SER A 18 0.702 28.159 -11.458 1.00 0.00 C ATOM 258 OG SER A 18 -0.642 27.717 -11.630 1.00 0.00 O ATOM 0 H SER A 18 3.146 27.931 -10.854 1.00 0.00 H new ATOM 0 HA SER A 18 1.262 26.285 -12.313 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.952 28.154 -10.397 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.792 29.189 -11.802 1.00 0.00 H new ATOM 0 HG SER A 18 -1.246 28.303 -11.128 1.00 0.00 H new ATOM 264 N LYS A 19 2.694 27.090 -14.405 1.00 0.00 N ATOM 265 CA LYS A 19 3.015 27.507 -15.760 1.00 0.00 C ATOM 266 C LYS A 19 3.670 26.343 -16.505 1.00 0.00 C ATOM 267 O LYS A 19 3.370 26.102 -17.673 1.00 0.00 O ATOM 268 CB LYS A 19 3.863 28.781 -15.742 1.00 0.00 C ATOM 269 CG LYS A 19 5.143 28.576 -14.929 1.00 0.00 C ATOM 270 CD LYS A 19 6.098 29.758 -15.104 1.00 0.00 C ATOM 271 CE LYS A 19 6.756 29.732 -16.484 1.00 0.00 C ATOM 272 NZ LYS A 19 8.041 30.466 -16.461 1.00 0.00 N ATOM 0 H LYS A 19 3.085 26.188 -14.132 1.00 0.00 H new ATOM 0 HA LYS A 19 2.107 27.764 -16.305 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.118 29.067 -16.762 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.285 29.601 -15.316 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.893 28.458 -13.874 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.635 27.656 -15.245 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.553 30.693 -14.975 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.866 29.727 -14.331 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.925 28.701 -16.793 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.088 30.180 -17.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.474 30.438 -17.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.871 31.455 -16.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.682 30.022 -15.773 1.00 0.00 H new ATOM 286 N SER A 20 4.553 25.652 -15.799 1.00 0.00 N ATOM 287 CA SER A 20 5.254 24.519 -16.379 1.00 0.00 C ATOM 288 C SER A 20 5.263 23.349 -15.393 1.00 0.00 C ATOM 289 O SER A 20 6.312 22.992 -14.858 1.00 0.00 O ATOM 290 CB SER A 20 6.684 24.896 -16.768 1.00 0.00 C ATOM 291 OG SER A 20 6.906 24.771 -18.171 1.00 0.00 O ATOM 0 H SER A 20 4.799 25.855 -14.830 1.00 0.00 H new ATOM 0 HA SER A 20 4.728 24.219 -17.285 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.885 25.922 -16.459 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.386 24.258 -16.231 1.00 0.00 H new ATOM 0 HG SER A 20 7.830 25.022 -18.380 1.00 0.00 H new ATOM 297 N THR A 21 4.083 22.785 -15.181 1.00 0.00 N ATOM 298 CA THR A 21 3.942 21.663 -14.269 1.00 0.00 C ATOM 299 C THR A 21 3.827 20.352 -15.049 1.00 0.00 C ATOM 300 O THR A 21 2.876 20.155 -15.803 1.00 0.00 O ATOM 301 CB THR A 21 2.739 21.938 -13.363 1.00 0.00 C ATOM 302 OG1 THR A 21 3.268 22.757 -12.324 1.00 0.00 O ATOM 303 CG2 THR A 21 2.254 20.682 -12.637 1.00 0.00 C ATOM 0 H THR A 21 3.215 23.084 -15.626 1.00 0.00 H new ATOM 0 HA THR A 21 4.824 21.553 -13.639 1.00 0.00 H new ATOM 0 HB THR A 21 1.924 22.351 -13.957 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.567 23.611 -12.701 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.400 20.932 -12.008 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.958 19.930 -13.369 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.058 20.287 -12.016 1.00 0.00 H new ATOM 311 N TRP A 22 4.811 19.489 -14.841 1.00 0.00 N ATOM 312 CA TRP A 22 4.832 18.202 -15.515 1.00 0.00 C ATOM 313 C TRP A 22 4.517 17.120 -14.481 1.00 0.00 C ATOM 314 O TRP A 22 4.188 17.429 -13.336 1.00 0.00 O ATOM 315 CB TRP A 22 6.168 17.977 -16.226 1.00 0.00 C ATOM 316 CG TRP A 22 6.681 19.201 -16.989 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.963 20.175 -17.564 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.060 19.543 -17.238 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.775 21.117 -18.163 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.091 20.719 -17.959 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.244 18.879 -16.868 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.280 21.336 -18.370 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.422 19.508 -17.287 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.470 20.693 -18.013 1.00 0.00 C ATOM 0 H TRP A 22 5.599 19.656 -14.215 1.00 0.00 H new ATOM 0 HA TRP A 22 4.075 18.166 -16.298 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.915 17.682 -15.489 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.062 17.146 -16.923 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.884 20.218 -17.559 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.466 21.951 -18.663 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.244 17.957 -16.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.278 22.258 -18.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.360 19.040 -17.028 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.422 21.115 -18.300 1.00 0.00 H new ATOM 335 N VAL A 23 4.626 15.876 -14.920 1.00 0.00 N ATOM 336 CA VAL A 23 4.357 14.747 -14.047 1.00 0.00 C ATOM 337 C VAL A 23 5.017 13.492 -14.624 1.00 0.00 C ATOM 338 O VAL A 23 4.552 12.946 -15.623 1.00 0.00 O ATOM 339 CB VAL A 23 2.849 14.591 -13.845 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.323 15.607 -12.829 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.102 14.708 -15.174 1.00 0.00 C ATOM 0 H VAL A 23 4.897 15.624 -15.870 1.00 0.00 H new ATOM 0 HA VAL A 23 4.788 14.915 -13.060 1.00 0.00 H new ATOM 0 HB VAL A 23 2.667 13.593 -13.446 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.248 15.474 -12.704 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.821 15.455 -11.871 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.525 16.617 -13.187 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.032 14.593 -15.001 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.296 15.686 -15.615 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.445 13.929 -15.854 1.00 0.00 H new ATOM 351 N ILE A 24 6.088 13.071 -13.968 1.00 0.00 N ATOM 352 CA ILE A 24 6.815 11.891 -14.402 1.00 0.00 C ATOM 353 C ILE A 24 5.919 10.660 -14.252 1.00 0.00 C ATOM 354 O ILE A 24 5.321 10.449 -13.199 1.00 0.00 O ATOM 355 CB ILE A 24 8.146 11.777 -13.657 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.207 11.099 -14.527 1.00 0.00 C ATOM 357 CG2 ILE A 24 7.964 11.063 -12.315 1.00 0.00 C ATOM 358 CD1 ILE A 24 10.579 11.746 -14.324 1.00 0.00 C ATOM 0 H ILE A 24 6.470 13.526 -13.139 1.00 0.00 H new ATOM 0 HA ILE A 24 7.073 11.971 -15.458 1.00 0.00 H new ATOM 0 HB ILE A 24 8.503 12.784 -13.441 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.261 10.039 -14.280 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.920 11.168 -15.576 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.925 10.995 -11.806 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.264 11.625 -11.696 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.573 10.060 -12.487 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.314 11.245 -14.954 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.528 12.801 -14.595 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.874 11.654 -13.279 1.00 0.00 H new ATOM 370 N LEU A 25 5.855 9.880 -15.321 1.00 0.00 N ATOM 371 CA LEU A 25 5.042 8.676 -15.321 1.00 0.00 C ATOM 372 C LEU A 25 5.654 7.653 -16.280 1.00 0.00 C ATOM 373 O LEU A 25 5.753 7.903 -17.481 1.00 0.00 O ATOM 374 CB LEU A 25 3.582 9.015 -15.634 1.00 0.00 C ATOM 375 CG LEU A 25 3.311 9.596 -17.022 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.995 8.488 -18.029 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.207 10.654 -16.967 1.00 0.00 C ATOM 0 H LEU A 25 6.353 10.058 -16.193 1.00 0.00 H new ATOM 0 HA LEU A 25 5.035 8.221 -14.330 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.987 8.109 -15.519 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.227 9.727 -14.889 1.00 0.00 H new ATOM 0 HG LEU A 25 4.217 10.094 -17.367 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.806 8.929 -19.008 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.842 7.805 -18.096 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.112 7.940 -17.702 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.034 11.051 -17.967 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.289 10.202 -16.592 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.511 11.463 -16.303 1.00 0.00 H new ATOM 389 N HIS A 26 6.048 6.522 -15.715 1.00 0.00 N ATOM 390 CA HIS A 26 6.648 5.459 -16.504 1.00 0.00 C ATOM 391 C HIS A 26 8.015 5.911 -17.019 1.00 0.00 C ATOM 392 O HIS A 26 8.409 5.567 -18.131 1.00 0.00 O ATOM 393 CB HIS A 26 5.706 5.020 -17.628 1.00 0.00 C ATOM 394 CG HIS A 26 4.909 3.778 -17.311 1.00 0.00 C ATOM 395 ND1 HIS A 26 4.285 3.578 -16.092 1.00 0.00 N ATOM 396 CD2 HIS A 26 4.640 2.675 -18.067 1.00 0.00 C ATOM 397 CE1 HIS A 26 3.671 2.404 -16.123 1.00 0.00 C ATOM 398 NE2 HIS A 26 3.894 1.845 -17.348 1.00 0.00 N ATOM 0 H HIS A 26 5.964 6.318 -14.719 1.00 0.00 H new ATOM 0 HA HIS A 26 6.807 4.581 -15.878 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.017 5.835 -17.850 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.291 4.843 -18.530 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.977 2.506 -19.079 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.096 1.967 -15.320 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.545 0.939 -17.660 1.00 0.00 H new ATOM 406 N HIS A 27 8.702 6.677 -16.184 1.00 0.00 N ATOM 407 CA HIS A 27 10.018 7.181 -16.540 1.00 0.00 C ATOM 408 C HIS A 27 9.888 8.196 -17.677 1.00 0.00 C ATOM 409 O HIS A 27 10.891 8.655 -18.223 1.00 0.00 O ATOM 410 CB HIS A 27 10.966 6.029 -16.878 1.00 0.00 C ATOM 411 CG HIS A 27 12.127 6.428 -17.758 1.00 0.00 C ATOM 412 ND1 HIS A 27 12.415 5.794 -18.953 1.00 0.00 N ATOM 413 CD2 HIS A 27 13.068 7.404 -17.604 1.00 0.00 C ATOM 414 CE1 HIS A 27 13.484 6.368 -19.486 1.00 0.00 C ATOM 415 NE2 HIS A 27 13.886 7.366 -18.648 1.00 0.00 N ATOM 0 H HIS A 27 8.372 6.961 -15.262 1.00 0.00 H new ATOM 0 HA HIS A 27 10.457 7.698 -15.687 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.354 5.607 -15.951 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.401 5.240 -17.375 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.136 8.091 -16.773 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.954 6.094 -20.419 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.685 7.982 -18.799 1.00 0.00 H new ATOM 423 N LYS A 28 8.644 8.516 -18.004 1.00 0.00 N ATOM 424 CA LYS A 28 8.370 9.468 -19.066 1.00 0.00 C ATOM 425 C LYS A 28 7.585 10.650 -18.496 1.00 0.00 C ATOM 426 O LYS A 28 6.435 10.498 -18.086 1.00 0.00 O ATOM 427 CB LYS A 28 7.673 8.775 -20.239 1.00 0.00 C ATOM 428 CG LYS A 28 8.694 8.244 -21.248 1.00 0.00 C ATOM 429 CD LYS A 28 9.563 7.151 -20.624 1.00 0.00 C ATOM 430 CE LYS A 28 9.479 5.856 -21.435 1.00 0.00 C ATOM 431 NZ LYS A 28 9.777 4.687 -20.576 1.00 0.00 N ATOM 0 H LYS A 28 7.814 8.132 -17.551 1.00 0.00 H new ATOM 0 HA LYS A 28 9.301 9.868 -19.469 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.061 7.953 -19.868 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.000 9.476 -20.732 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.176 7.847 -22.121 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.326 9.061 -21.596 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.599 7.488 -20.576 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.240 6.965 -19.600 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.483 5.754 -21.866 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.184 5.894 -22.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.683 3.814 -21.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.748 4.762 -20.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.110 4.663 -19.779 1.00 0.00 H new ATOM 445 N VAL A 29 8.238 11.803 -18.488 1.00 0.00 N ATOM 446 CA VAL A 29 7.616 13.012 -17.975 1.00 0.00 C ATOM 447 C VAL A 29 6.764 13.649 -19.075 1.00 0.00 C ATOM 448 O VAL A 29 7.169 13.684 -20.235 1.00 0.00 O ATOM 449 CB VAL A 29 8.685 13.958 -17.422 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.748 14.259 -18.480 1.00 0.00 C ATOM 451 CG2 VAL A 29 8.056 15.248 -16.894 1.00 0.00 C ATOM 0 H VAL A 29 9.192 11.926 -18.829 1.00 0.00 H new ATOM 0 HA VAL A 29 6.951 12.776 -17.145 1.00 0.00 H new ATOM 0 HB VAL A 29 9.175 13.459 -16.586 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.496 14.933 -18.063 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.228 13.330 -18.788 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.278 14.729 -19.344 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.837 15.902 -16.507 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.528 15.753 -17.703 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.354 15.010 -16.095 1.00 0.00 H new ATOM 461 N TYR A 30 5.600 14.137 -18.670 1.00 0.00 N ATOM 462 CA TYR A 30 4.689 14.771 -19.607 1.00 0.00 C ATOM 463 C TYR A 30 4.443 16.233 -19.228 1.00 0.00 C ATOM 464 O TYR A 30 4.339 16.563 -18.048 1.00 0.00 O ATOM 465 CB TYR A 30 3.372 14.001 -19.500 1.00 0.00 C ATOM 466 CG TYR A 30 3.413 12.608 -20.132 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.364 11.694 -19.728 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.498 12.265 -21.108 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.403 10.383 -20.322 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.537 10.955 -21.703 1.00 0.00 C ATOM 471 CZ TYR A 30 3.487 10.079 -21.281 1.00 0.00 C ATOM 472 OH TYR A 30 3.524 8.840 -21.843 1.00 0.00 O ATOM 0 H TYR A 30 5.268 14.106 -17.706 1.00 0.00 H new ATOM 0 HA TYR A 30 5.102 14.755 -20.615 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.104 13.904 -18.448 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.583 14.582 -19.977 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.080 11.962 -18.965 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.753 12.980 -21.425 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.142 9.658 -20.014 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.828 10.674 -22.467 1.00 0.00 H new ATOM 0 HH TYR A 30 2.811 8.762 -22.511 1.00 0.00 H new ATOM 482 N ASP A 31 4.358 17.070 -20.252 1.00 0.00 N ATOM 483 CA ASP A 31 4.126 18.489 -20.042 1.00 0.00 C ATOM 484 C ASP A 31 2.642 18.795 -20.257 1.00 0.00 C ATOM 485 O ASP A 31 2.231 19.149 -21.361 1.00 0.00 O ATOM 486 CB ASP A 31 4.931 19.331 -21.032 1.00 0.00 C ATOM 487 CG ASP A 31 4.624 20.829 -21.006 1.00 0.00 C ATOM 488 OD1 ASP A 31 3.429 21.167 -21.150 1.00 0.00 O ATOM 489 OD2 ASP A 31 5.591 21.605 -20.843 1.00 0.00 O ATOM 0 H ASP A 31 4.446 16.792 -21.230 1.00 0.00 H new ATOM 0 HA ASP A 31 4.435 18.735 -19.026 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.992 19.189 -20.827 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.748 18.955 -22.039 1.00 0.00 H new ATOM 494 N LEU A 32 1.879 18.651 -19.184 1.00 0.00 N ATOM 495 CA LEU A 32 0.450 18.908 -19.242 1.00 0.00 C ATOM 496 C LEU A 32 0.156 20.269 -18.607 1.00 0.00 C ATOM 497 O LEU A 32 -0.900 20.463 -18.006 1.00 0.00 O ATOM 498 CB LEU A 32 -0.329 17.753 -18.608 1.00 0.00 C ATOM 499 CG LEU A 32 0.440 16.899 -17.599 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.516 16.171 -16.655 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.391 15.933 -18.310 1.00 0.00 C ATOM 0 H LEU A 32 2.223 18.360 -18.269 1.00 0.00 H new ATOM 0 HA LEU A 32 0.114 18.958 -20.278 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.208 18.163 -18.111 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.688 17.102 -19.405 1.00 0.00 H new ATOM 0 HG LEU A 32 1.052 17.562 -16.988 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.057 15.571 -15.948 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.115 16.901 -16.110 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.173 15.521 -17.233 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.925 15.338 -17.570 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.819 15.273 -18.962 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.107 16.500 -18.905 1.00 0.00 H new ATOM 513 N THR A 33 1.108 21.177 -18.762 1.00 0.00 N ATOM 514 CA THR A 33 0.964 22.514 -18.212 1.00 0.00 C ATOM 515 C THR A 33 -0.001 23.340 -19.064 1.00 0.00 C ATOM 516 O THR A 33 -0.534 24.350 -18.603 1.00 0.00 O ATOM 517 CB THR A 33 2.359 23.133 -18.101 1.00 0.00 C ATOM 518 OG1 THR A 33 2.555 23.773 -19.359 1.00 0.00 O ATOM 519 CG2 THR A 33 3.465 22.077 -18.044 1.00 0.00 C ATOM 0 H THR A 33 1.982 21.013 -19.261 1.00 0.00 H new ATOM 0 HA THR A 33 0.525 22.486 -17.215 1.00 0.00 H new ATOM 0 HB THR A 33 2.409 23.759 -17.210 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.866 24.691 -19.214 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.434 22.569 -17.966 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.312 21.436 -17.175 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.438 21.472 -18.950 1.00 0.00 H new ATOM 527 N LYS A 34 -0.199 22.882 -20.291 1.00 0.00 N ATOM 528 CA LYS A 34 -1.090 23.565 -21.212 1.00 0.00 C ATOM 529 C LYS A 34 -2.505 23.003 -21.056 1.00 0.00 C ATOM 530 O LYS A 34 -3.460 23.758 -20.876 1.00 0.00 O ATOM 531 CB LYS A 34 -0.550 23.484 -22.641 1.00 0.00 C ATOM 532 CG LYS A 34 -1.342 24.397 -23.579 1.00 0.00 C ATOM 533 CD LYS A 34 -0.535 25.645 -23.940 1.00 0.00 C ATOM 534 CE LYS A 34 -0.947 26.835 -23.072 1.00 0.00 C ATOM 535 NZ LYS A 34 -1.759 27.792 -23.855 1.00 0.00 N ATOM 0 H LYS A 34 0.244 22.044 -20.669 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.140 24.628 -20.976 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.502 23.769 -22.653 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.605 22.455 -22.997 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.603 23.853 -24.487 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.278 24.690 -23.103 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.528 25.445 -23.808 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.686 25.888 -24.992 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.517 26.485 -22.211 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.059 27.334 -22.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.030 28.594 -23.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.203 28.140 -24.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.616 27.316 -24.204 1.00 0.00 H new ATOM 549 N PHE A 35 -2.596 21.684 -21.131 1.00 0.00 N ATOM 550 CA PHE A 35 -3.877 21.013 -21.001 1.00 0.00 C ATOM 551 C PHE A 35 -4.248 20.819 -19.529 1.00 0.00 C ATOM 552 O PHE A 35 -5.230 20.149 -19.215 1.00 0.00 O ATOM 553 CB PHE A 35 -3.733 19.641 -21.664 1.00 0.00 C ATOM 554 CG PHE A 35 -4.160 18.473 -20.772 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.311 17.998 -19.821 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.386 17.908 -20.931 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.706 16.913 -18.995 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.781 16.824 -20.105 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.933 16.349 -19.154 1.00 0.00 C ATOM 0 H PHE A 35 -1.802 21.061 -21.280 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.659 21.611 -21.469 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.329 19.625 -22.577 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.694 19.499 -21.960 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.337 18.446 -19.694 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.060 18.284 -21.686 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.032 16.536 -18.240 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.756 16.376 -20.232 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.234 15.524 -18.525 1.00 0.00 H new ATOM 569 N LEU A 36 -3.442 21.418 -18.666 1.00 0.00 N ATOM 570 CA LEU A 36 -3.672 21.320 -17.234 1.00 0.00 C ATOM 571 C LEU A 36 -5.087 21.807 -16.915 1.00 0.00 C ATOM 572 O LEU A 36 -5.777 21.221 -16.083 1.00 0.00 O ATOM 573 CB LEU A 36 -2.578 22.060 -16.463 1.00 0.00 C ATOM 574 CG LEU A 36 -2.024 21.344 -15.230 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.496 21.412 -15.197 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.650 21.897 -13.947 1.00 0.00 C ATOM 0 H LEU A 36 -2.628 21.973 -18.930 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.611 20.282 -16.909 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.751 22.258 -17.145 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.972 23.027 -16.150 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.298 20.291 -15.295 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.128 20.896 -14.311 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.091 20.935 -16.089 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.179 22.454 -15.168 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.239 21.371 -13.085 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.427 22.961 -13.863 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.730 21.754 -13.978 1.00 0.00 H new ATOM 588 N GLU A 37 -5.478 22.876 -17.594 1.00 0.00 N ATOM 589 CA GLU A 37 -6.798 23.449 -17.394 1.00 0.00 C ATOM 590 C GLU A 37 -7.840 22.679 -18.209 1.00 0.00 C ATOM 591 O GLU A 37 -9.033 22.748 -17.919 1.00 0.00 O ATOM 592 CB GLU A 37 -6.810 24.936 -17.753 1.00 0.00 C ATOM 593 CG GLU A 37 -7.870 25.686 -16.945 1.00 0.00 C ATOM 594 CD GLU A 37 -8.918 26.316 -17.865 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.497 26.908 -18.882 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.116 26.190 -17.530 1.00 0.00 O ATOM 0 H GLU A 37 -4.903 23.360 -18.284 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.055 23.362 -16.338 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.828 25.368 -17.561 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.008 25.055 -18.818 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.356 25.000 -16.251 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.394 26.462 -16.346 1.00 0.00 H new ATOM 603 N GLU A 38 -7.350 21.963 -19.211 1.00 0.00 N ATOM 604 CA GLU A 38 -8.224 21.182 -20.069 1.00 0.00 C ATOM 605 C GLU A 38 -8.490 19.810 -19.447 1.00 0.00 C ATOM 606 O GLU A 38 -9.296 19.037 -19.962 1.00 0.00 O ATOM 607 CB GLU A 38 -7.632 21.042 -21.473 1.00 0.00 C ATOM 608 CG GLU A 38 -7.984 22.253 -22.339 1.00 0.00 C ATOM 609 CD GLU A 38 -9.307 22.034 -23.076 1.00 0.00 C ATOM 610 OE1 GLU A 38 -9.272 21.331 -24.108 1.00 0.00 O ATOM 611 OE2 GLU A 38 -10.324 22.575 -22.590 1.00 0.00 O ATOM 0 H GLU A 38 -6.359 21.908 -19.447 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.174 21.708 -20.162 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.549 20.940 -21.406 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.009 20.133 -21.942 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.055 23.143 -21.714 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.187 22.433 -23.061 1.00 0.00 H new ATOM 618 N HIS A 39 -7.797 19.550 -18.348 1.00 0.00 N ATOM 619 CA HIS A 39 -7.948 18.284 -17.650 1.00 0.00 C ATOM 620 C HIS A 39 -9.133 18.368 -16.686 1.00 0.00 C ATOM 621 O HIS A 39 -9.236 19.311 -15.905 1.00 0.00 O ATOM 622 CB HIS A 39 -6.645 17.888 -16.955 1.00 0.00 C ATOM 623 CG HIS A 39 -6.678 16.517 -16.321 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.505 16.316 -14.963 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.867 15.286 -16.873 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.587 15.015 -14.720 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.811 14.379 -15.905 1.00 0.00 N ATOM 0 H HIS A 39 -7.130 20.194 -17.924 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.164 17.492 -18.368 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.833 17.921 -17.682 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.416 18.627 -16.187 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.342 17.044 -14.268 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.034 15.082 -17.920 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.493 14.542 -13.753 1.00 0.00 H new ATOM 635 N PRO A 40 -10.021 17.341 -16.776 1.00 0.00 N ATOM 636 CA PRO A 40 -11.194 17.290 -15.921 1.00 0.00 C ATOM 637 C PRO A 40 -10.817 16.884 -14.495 1.00 0.00 C ATOM 638 O PRO A 40 -11.680 16.783 -13.625 1.00 0.00 O ATOM 639 CB PRO A 40 -12.128 16.295 -16.593 1.00 0.00 C ATOM 640 CG PRO A 40 -11.259 15.483 -17.540 1.00 0.00 C ATOM 641 CD PRO A 40 -9.930 16.206 -17.690 1.00 0.00 C ATOM 0 HA PRO A 40 -11.677 18.261 -15.813 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.609 15.652 -15.856 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.922 16.809 -17.135 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.104 14.478 -17.149 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.747 15.376 -18.509 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.094 15.556 -17.432 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.772 16.536 -18.717 1.00 0.00 H new ATOM 649 N GLY A 41 -9.525 16.664 -14.299 1.00 0.00 N ATOM 650 CA GLY A 41 -9.022 16.272 -12.994 1.00 0.00 C ATOM 651 C GLY A 41 -9.039 17.454 -12.022 1.00 0.00 C ATOM 652 O GLY A 41 -9.948 17.574 -11.201 1.00 0.00 O ATOM 0 H GLY A 41 -8.811 16.750 -15.023 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.630 15.460 -12.595 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.005 15.891 -13.091 1.00 0.00 H new ATOM 656 N GLY A 42 -8.025 18.297 -12.147 1.00 0.00 N ATOM 657 CA GLY A 42 -7.912 19.464 -11.290 1.00 0.00 C ATOM 658 C GLY A 42 -6.742 20.351 -11.723 1.00 0.00 C ATOM 659 O GLY A 42 -6.177 20.157 -12.799 1.00 0.00 O ATOM 0 H GLY A 42 -7.274 18.195 -12.829 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.839 20.036 -11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.771 19.148 -10.256 1.00 0.00 H new ATOM 663 N GLU A 43 -6.414 21.304 -10.864 1.00 0.00 N ATOM 664 CA GLU A 43 -5.322 22.221 -11.144 1.00 0.00 C ATOM 665 C GLU A 43 -4.267 22.143 -10.039 1.00 0.00 C ATOM 666 O GLU A 43 -3.169 22.677 -10.186 1.00 0.00 O ATOM 667 CB GLU A 43 -5.837 23.652 -11.311 1.00 0.00 C ATOM 668 CG GLU A 43 -4.737 24.669 -11.003 1.00 0.00 C ATOM 669 CD GLU A 43 -5.269 26.100 -11.104 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.181 26.309 -11.933 1.00 0.00 O ATOM 671 OE2 GLU A 43 -4.752 26.954 -10.351 1.00 0.00 O ATOM 0 H GLU A 43 -6.885 21.461 -9.973 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.857 21.925 -12.084 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.196 23.797 -12.330 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.686 23.817 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.344 24.493 -10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.908 24.535 -11.698 1.00 0.00 H new ATOM 678 N GLU A 44 -4.637 21.474 -8.957 1.00 0.00 N ATOM 679 CA GLU A 44 -3.736 21.319 -7.828 1.00 0.00 C ATOM 680 C GLU A 44 -3.448 19.837 -7.578 1.00 0.00 C ATOM 681 O GLU A 44 -2.670 19.494 -6.689 1.00 0.00 O ATOM 682 CB GLU A 44 -4.308 21.986 -6.575 1.00 0.00 C ATOM 683 CG GLU A 44 -3.829 21.274 -5.308 1.00 0.00 C ATOM 684 CD GLU A 44 -4.297 22.014 -4.053 1.00 0.00 C ATOM 685 OE1 GLU A 44 -4.231 23.263 -4.073 1.00 0.00 O ATOM 686 OE2 GLU A 44 -4.709 21.315 -3.102 1.00 0.00 O ATOM 0 H GLU A 44 -5.549 21.033 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.796 21.816 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.005 23.033 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.397 21.971 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.209 20.252 -5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.741 21.210 -5.312 1.00 0.00 H new ATOM 693 N VAL A 45 -4.092 18.999 -8.377 1.00 0.00 N ATOM 694 CA VAL A 45 -3.913 17.562 -8.254 1.00 0.00 C ATOM 695 C VAL A 45 -2.936 17.080 -9.327 1.00 0.00 C ATOM 696 O VAL A 45 -2.233 16.090 -9.131 1.00 0.00 O ATOM 697 CB VAL A 45 -5.271 16.860 -8.321 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.314 17.745 -9.006 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.153 15.507 -9.025 1.00 0.00 C ATOM 0 H VAL A 45 -4.738 19.287 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.479 17.311 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.605 16.679 -7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.269 17.222 -9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.428 18.673 -8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.988 17.972 -10.021 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.132 15.028 -9.060 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.786 15.656 -10.040 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.457 14.871 -8.477 1.00 0.00 H new ATOM 709 N LEU A 46 -2.925 17.799 -10.439 1.00 0.00 N ATOM 710 CA LEU A 46 -2.045 17.458 -11.544 1.00 0.00 C ATOM 711 C LEU A 46 -0.619 17.893 -11.208 1.00 0.00 C ATOM 712 O LEU A 46 0.344 17.230 -11.593 1.00 0.00 O ATOM 713 CB LEU A 46 -2.577 18.045 -12.853 1.00 0.00 C ATOM 714 CG LEU A 46 -4.098 18.152 -12.972 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.505 18.663 -14.355 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.769 16.819 -12.633 1.00 0.00 C ATOM 0 H LEU A 46 -3.512 18.618 -10.599 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.021 16.379 -11.693 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.152 19.040 -12.981 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.210 17.434 -13.678 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.447 18.883 -12.243 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.591 18.730 -14.413 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.071 19.649 -14.521 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.143 17.975 -15.118 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.850 16.922 -12.725 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.418 16.050 -13.321 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.518 16.535 -11.611 1.00 0.00 H new ATOM 728 N ARG A 47 -0.525 19.005 -10.493 1.00 0.00 N ATOM 729 CA ARG A 47 0.768 19.537 -10.102 1.00 0.00 C ATOM 730 C ARG A 47 1.212 18.928 -8.770 1.00 0.00 C ATOM 731 O ARG A 47 2.405 18.869 -8.477 1.00 0.00 O ATOM 732 CB ARG A 47 0.720 21.061 -9.966 1.00 0.00 C ATOM 733 CG ARG A 47 -0.560 21.507 -9.257 1.00 0.00 C ATOM 734 CD ARG A 47 -0.418 22.932 -8.718 1.00 0.00 C ATOM 735 NE ARG A 47 0.018 22.898 -7.304 1.00 0.00 N ATOM 736 CZ ARG A 47 0.001 23.958 -6.486 1.00 0.00 C ATOM 737 NH1 ARG A 47 -0.430 25.144 -6.935 1.00 0.00 N ATOM 738 NH2 ARG A 47 0.417 23.833 -5.218 1.00 0.00 N ATOM 0 H ARG A 47 -1.325 19.552 -10.174 1.00 0.00 H new ATOM 0 HA ARG A 47 1.483 19.275 -10.882 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.589 21.408 -9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.772 21.520 -10.953 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.400 21.458 -9.950 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.783 20.824 -8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.305 23.486 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.369 23.457 -8.801 1.00 0.00 H new ATOM 0 HE ARG A 47 0.353 22.011 -6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.745 25.240 -7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.443 25.951 -6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.747 22.930 -4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.404 24.641 -4.595 1.00 0.00 H new ATOM 752 N GLU A 48 0.227 18.491 -7.999 1.00 0.00 N ATOM 753 CA GLU A 48 0.500 17.889 -6.704 1.00 0.00 C ATOM 754 C GLU A 48 1.623 16.857 -6.827 1.00 0.00 C ATOM 755 O GLU A 48 2.299 16.551 -5.846 1.00 0.00 O ATOM 756 CB GLU A 48 -0.763 17.259 -6.116 1.00 0.00 C ATOM 757 CG GLU A 48 -0.948 17.667 -4.652 1.00 0.00 C ATOM 758 CD GLU A 48 0.333 17.425 -3.850 1.00 0.00 C ATOM 759 OE1 GLU A 48 0.727 16.242 -3.753 1.00 0.00 O ATOM 760 OE2 GLU A 48 0.888 18.427 -3.351 1.00 0.00 O ATOM 0 H GLU A 48 -0.761 18.542 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 48 0.826 18.673 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.632 17.568 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.701 16.173 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.223 18.720 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.769 17.100 -4.213 1.00 0.00 H new ATOM 767 N GLN A 49 1.785 16.345 -8.039 1.00 0.00 N ATOM 768 CA GLN A 49 2.813 15.354 -8.302 1.00 0.00 C ATOM 769 C GLN A 49 3.766 15.852 -9.390 1.00 0.00 C ATOM 770 O GLN A 49 4.273 15.063 -10.185 1.00 0.00 O ATOM 771 CB GLN A 49 2.193 14.011 -8.690 1.00 0.00 C ATOM 772 CG GLN A 49 1.474 13.373 -7.498 1.00 0.00 C ATOM 773 CD GLN A 49 2.387 13.323 -6.272 1.00 0.00 C ATOM 774 OE1 GLN A 49 3.513 12.854 -6.321 1.00 0.00 O ATOM 775 NE2 GLN A 49 1.841 13.831 -5.170 1.00 0.00 N ATOM 0 H GLN A 49 1.220 16.599 -8.850 1.00 0.00 H new ATOM 0 HA GLN A 49 3.386 15.202 -7.387 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.489 14.155 -9.509 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.971 13.339 -9.052 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.575 13.943 -7.264 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.154 12.364 -7.759 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.894 14.208 -5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.370 13.844 -4.298 1.00 0.00 H new ATOM 784 N ALA A 50 3.981 17.160 -9.389 1.00 0.00 N ATOM 785 CA ALA A 50 4.864 17.773 -10.366 1.00 0.00 C ATOM 786 C ALA A 50 6.295 17.778 -9.823 1.00 0.00 C ATOM 787 O ALA A 50 6.965 18.809 -9.842 1.00 0.00 O ATOM 788 CB ALA A 50 4.361 19.179 -10.699 1.00 0.00 C ATOM 0 H ALA A 50 3.559 17.811 -8.727 1.00 0.00 H new ATOM 0 HA ALA A 50 4.866 17.200 -11.293 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.024 19.638 -11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.353 19.117 -11.110 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.347 19.785 -9.793 1.00 0.00 H new ATOM 794 N GLY A 51 6.718 16.616 -9.351 1.00 0.00 N ATOM 795 CA GLY A 51 8.056 16.473 -8.803 1.00 0.00 C ATOM 796 C GLY A 51 8.390 15.002 -8.544 1.00 0.00 C ATOM 797 O GLY A 51 9.542 14.592 -8.669 1.00 0.00 O ATOM 0 H GLY A 51 6.158 15.764 -9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.783 16.898 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.134 17.036 -7.873 1.00 0.00 H new ATOM 801 N GLY A 52 7.359 14.249 -8.190 1.00 0.00 N ATOM 802 CA GLY A 52 7.529 12.832 -7.912 1.00 0.00 C ATOM 803 C GLY A 52 6.920 11.980 -9.028 1.00 0.00 C ATOM 804 O GLY A 52 7.080 12.289 -10.208 1.00 0.00 O ATOM 0 H GLY A 52 6.404 14.592 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.590 12.602 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.057 12.585 -6.961 1.00 0.00 H new ATOM 808 N ASP A 53 6.236 10.922 -8.615 1.00 0.00 N ATOM 809 CA ASP A 53 5.604 10.023 -9.565 1.00 0.00 C ATOM 810 C ASP A 53 4.085 10.188 -9.483 1.00 0.00 C ATOM 811 O ASP A 53 3.487 9.957 -8.434 1.00 0.00 O ATOM 812 CB ASP A 53 5.939 8.564 -9.248 1.00 0.00 C ATOM 813 CG ASP A 53 5.819 8.178 -7.773 1.00 0.00 C ATOM 814 OD1 ASP A 53 6.164 9.037 -6.932 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.385 7.034 -7.519 1.00 0.00 O ATOM 0 H ASP A 53 6.106 10.668 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 53 5.973 10.270 -10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.280 7.921 -9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.957 8.361 -9.579 1.00 0.00 H new ATOM 820 N ALA A 54 3.504 10.586 -10.606 1.00 0.00 N ATOM 821 CA ALA A 54 2.066 10.784 -10.674 1.00 0.00 C ATOM 822 C ALA A 54 1.408 9.523 -11.238 1.00 0.00 C ATOM 823 O ALA A 54 0.202 9.331 -11.093 1.00 0.00 O ATOM 824 CB ALA A 54 1.761 12.026 -11.514 1.00 0.00 C ATOM 0 H ALA A 54 4.003 10.776 -11.475 1.00 0.00 H new ATOM 0 HA ALA A 54 1.654 10.954 -9.679 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.682 12.175 -11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.226 12.899 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.157 11.891 -12.521 1.00 0.00 H new ATOM 830 N THR A 55 2.229 8.697 -11.869 1.00 0.00 N ATOM 831 CA THR A 55 1.742 7.459 -12.455 1.00 0.00 C ATOM 832 C THR A 55 0.902 6.683 -11.440 1.00 0.00 C ATOM 833 O THR A 55 -0.083 6.043 -11.804 1.00 0.00 O ATOM 834 CB THR A 55 2.949 6.674 -12.973 1.00 0.00 C ATOM 835 OG1 THR A 55 2.455 5.348 -13.137 1.00 0.00 O ATOM 836 CG2 THR A 55 4.052 6.535 -11.922 1.00 0.00 C ATOM 0 H THR A 55 3.229 8.860 -11.988 1.00 0.00 H new ATOM 0 HA THR A 55 1.078 7.654 -13.297 1.00 0.00 H new ATOM 0 HB THR A 55 3.352 7.168 -13.857 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.173 4.771 -13.472 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.885 5.970 -12.341 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.398 7.525 -11.625 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.660 6.011 -11.050 1.00 0.00 H new ATOM 844 N GLU A 56 1.322 6.765 -10.186 1.00 0.00 N ATOM 845 CA GLU A 56 0.621 6.078 -9.115 1.00 0.00 C ATOM 846 C GLU A 56 -0.804 6.618 -8.981 1.00 0.00 C ATOM 847 O GLU A 56 -1.759 5.848 -8.902 1.00 0.00 O ATOM 848 CB GLU A 56 1.381 6.202 -7.793 1.00 0.00 C ATOM 849 CG GLU A 56 2.026 7.583 -7.659 1.00 0.00 C ATOM 850 CD GLU A 56 1.868 8.128 -6.239 1.00 0.00 C ATOM 851 OE1 GLU A 56 2.550 7.584 -5.343 1.00 0.00 O ATOM 852 OE2 GLU A 56 1.068 9.075 -6.080 1.00 0.00 O ATOM 0 H GLU A 56 2.139 7.297 -9.888 1.00 0.00 H new ATOM 0 HA GLU A 56 0.565 5.019 -9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.699 6.033 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.149 5.431 -7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.084 7.520 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.569 8.272 -8.369 1.00 0.00 H new ATOM 859 N ASN A 57 -0.902 7.940 -8.960 1.00 0.00 N ATOM 860 CA ASN A 57 -2.194 8.592 -8.837 1.00 0.00 C ATOM 861 C ASN A 57 -2.901 8.574 -10.193 1.00 0.00 C ATOM 862 O ASN A 57 -4.121 8.442 -10.260 1.00 0.00 O ATOM 863 CB ASN A 57 -2.035 10.052 -8.405 1.00 0.00 C ATOM 864 CG ASN A 57 -1.664 10.148 -6.924 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.995 9.295 -6.118 1.00 0.00 O ATOM 866 ND2 ASN A 57 -0.961 11.233 -6.613 1.00 0.00 N ATOM 0 H ASN A 57 -0.108 8.576 -9.026 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.773 8.055 -8.086 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.264 10.532 -9.008 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.964 10.592 -8.587 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.665 11.390 -5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.717 11.908 -7.338 1.00 0.00 H new ATOM 873 N PHE A 58 -2.102 8.710 -11.242 1.00 0.00 N ATOM 874 CA PHE A 58 -2.636 8.711 -12.594 1.00 0.00 C ATOM 875 C PHE A 58 -3.232 7.348 -12.950 1.00 0.00 C ATOM 876 O PHE A 58 -4.274 7.271 -13.599 1.00 0.00 O ATOM 877 CB PHE A 58 -1.468 9.005 -13.537 1.00 0.00 C ATOM 878 CG PHE A 58 -1.746 8.660 -15.001 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.891 7.361 -15.378 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.852 9.652 -15.925 1.00 0.00 C ATOM 881 CE1 PHE A 58 -2.150 7.040 -16.737 1.00 0.00 C ATOM 882 CE2 PHE A 58 -2.111 9.331 -17.284 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.255 8.033 -17.661 1.00 0.00 C ATOM 0 H PHE A 58 -1.090 8.820 -11.183 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.426 9.457 -12.680 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.215 10.063 -13.466 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.595 8.445 -13.202 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.809 6.573 -14.644 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.739 10.684 -15.626 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.263 6.009 -17.037 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.194 10.119 -18.018 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.453 7.790 -18.695 1.00 0.00 H new ATOM 893 N GLU A 59 -2.545 6.304 -12.508 1.00 0.00 N ATOM 894 CA GLU A 59 -2.994 4.947 -12.770 1.00 0.00 C ATOM 895 C GLU A 59 -4.097 4.552 -11.787 1.00 0.00 C ATOM 896 O GLU A 59 -4.860 3.623 -12.045 1.00 0.00 O ATOM 897 CB GLU A 59 -1.826 3.962 -12.707 1.00 0.00 C ATOM 898 CG GLU A 59 -1.412 3.694 -11.259 1.00 0.00 C ATOM 899 CD GLU A 59 -2.375 2.712 -10.587 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.725 1.715 -11.253 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.738 2.982 -9.422 1.00 0.00 O ATOM 0 H GLU A 59 -1.681 6.371 -11.970 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.404 4.910 -13.779 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.109 3.025 -13.187 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.978 4.362 -13.263 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.400 3.290 -11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.395 4.631 -10.702 1.00 0.00 H new ATOM 908 N ASP A 60 -4.148 5.280 -10.680 1.00 0.00 N ATOM 909 CA ASP A 60 -5.146 5.018 -9.658 1.00 0.00 C ATOM 910 C ASP A 60 -6.539 5.284 -10.230 1.00 0.00 C ATOM 911 O ASP A 60 -7.400 4.405 -10.212 1.00 0.00 O ATOM 912 CB ASP A 60 -4.949 5.934 -8.448 1.00 0.00 C ATOM 913 CG ASP A 60 -6.200 6.160 -7.597 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.566 5.217 -6.863 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.764 7.271 -7.701 1.00 0.00 O ATOM 0 H ASP A 60 -3.514 6.051 -10.469 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.042 3.979 -9.345 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.169 5.512 -7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.587 6.901 -8.798 1.00 0.00 H new ATOM 920 N VAL A 61 -6.719 6.499 -10.726 1.00 0.00 N ATOM 921 CA VAL A 61 -7.993 6.891 -11.304 1.00 0.00 C ATOM 922 C VAL A 61 -8.318 5.972 -12.482 1.00 0.00 C ATOM 923 O VAL A 61 -9.473 5.871 -12.895 1.00 0.00 O ATOM 924 CB VAL A 61 -7.959 8.371 -11.690 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.596 8.755 -12.271 1.00 0.00 C ATOM 926 CG2 VAL A 61 -9.086 8.708 -12.668 1.00 0.00 C ATOM 0 H VAL A 61 -6.003 7.226 -10.740 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.795 6.778 -10.574 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.114 8.957 -10.784 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.599 9.812 -12.537 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.819 8.569 -11.529 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.398 8.157 -13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.039 9.766 -12.926 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.975 8.109 -13.572 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.048 8.490 -12.204 1.00 0.00 H new ATOM 936 N GLY A 62 -7.280 5.325 -12.992 1.00 0.00 N ATOM 937 CA GLY A 62 -7.441 4.418 -14.115 1.00 0.00 C ATOM 938 C GLY A 62 -7.816 5.182 -15.387 1.00 0.00 C ATOM 939 O GLY A 62 -8.980 5.199 -15.785 1.00 0.00 O ATOM 0 H GLY A 62 -6.324 5.411 -12.648 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.515 3.866 -14.277 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.213 3.684 -13.886 1.00 0.00 H new ATOM 943 N HIS A 63 -6.807 5.795 -15.990 1.00 0.00 N ATOM 944 CA HIS A 63 -7.016 6.559 -17.208 1.00 0.00 C ATOM 945 C HIS A 63 -7.300 5.604 -18.369 1.00 0.00 C ATOM 946 O HIS A 63 -6.678 4.548 -18.475 1.00 0.00 O ATOM 947 CB HIS A 63 -5.829 7.486 -17.478 1.00 0.00 C ATOM 948 CG HIS A 63 -5.773 8.692 -16.572 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.960 8.753 -15.454 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.437 9.882 -16.629 1.00 0.00 C ATOM 951 CE1 HIS A 63 -5.134 9.930 -14.873 1.00 0.00 C ATOM 952 NE2 HIS A 63 -6.051 10.629 -15.603 1.00 0.00 N ATOM 0 H HIS A 63 -5.843 5.778 -15.657 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.887 7.205 -17.093 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.905 6.918 -17.367 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.873 7.824 -18.513 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.333 8.016 -15.132 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.156 10.168 -17.383 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.637 10.276 -13.979 1.00 0.00 H new ATOM 960 N SER A 64 -8.238 6.010 -19.212 1.00 0.00 N ATOM 961 CA SER A 64 -8.612 5.204 -20.360 1.00 0.00 C ATOM 962 C SER A 64 -7.413 5.041 -21.297 1.00 0.00 C ATOM 963 O SER A 64 -6.473 5.832 -21.251 1.00 0.00 O ATOM 964 CB SER A 64 -9.790 5.828 -21.111 1.00 0.00 C ATOM 965 OG SER A 64 -10.959 5.016 -21.039 1.00 0.00 O ATOM 0 H SER A 64 -8.750 6.888 -19.122 1.00 0.00 H new ATOM 0 HA SER A 64 -8.923 4.222 -20.002 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.006 6.812 -20.694 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.516 5.977 -22.155 1.00 0.00 H new ATOM 0 HG SER A 64 -11.689 5.449 -21.529 1.00 0.00 H new ATOM 971 N THR A 65 -7.485 4.009 -22.125 1.00 0.00 N ATOM 972 CA THR A 65 -6.417 3.731 -23.070 1.00 0.00 C ATOM 973 C THR A 65 -6.364 4.816 -24.147 1.00 0.00 C ATOM 974 O THR A 65 -5.448 4.837 -24.968 1.00 0.00 O ATOM 975 CB THR A 65 -6.637 2.326 -23.634 1.00 0.00 C ATOM 976 OG1 THR A 65 -6.452 1.469 -22.510 1.00 0.00 O ATOM 977 CG2 THR A 65 -5.534 1.906 -24.607 1.00 0.00 C ATOM 0 H THR A 65 -8.267 3.355 -22.161 1.00 0.00 H new ATOM 0 HA THR A 65 -5.442 3.751 -22.582 1.00 0.00 H new ATOM 0 HB THR A 65 -7.602 2.285 -24.139 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.578 0.537 -22.785 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.739 0.902 -24.978 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.503 2.603 -25.445 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.573 1.914 -24.093 1.00 0.00 H new ATOM 985 N ASP A 66 -7.357 5.691 -24.111 1.00 0.00 N ATOM 986 CA ASP A 66 -7.436 6.777 -25.074 1.00 0.00 C ATOM 987 C ASP A 66 -6.764 8.020 -24.488 1.00 0.00 C ATOM 988 O ASP A 66 -6.835 9.101 -25.072 1.00 0.00 O ATOM 989 CB ASP A 66 -8.890 7.129 -25.390 1.00 0.00 C ATOM 990 CG ASP A 66 -9.757 5.953 -25.842 1.00 0.00 C ATOM 991 OD1 ASP A 66 -9.162 4.929 -26.239 1.00 0.00 O ATOM 992 OD2 ASP A 66 -10.997 6.104 -25.780 1.00 0.00 O ATOM 0 H ASP A 66 -8.115 5.671 -23.429 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.938 6.455 -25.988 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.341 7.574 -24.503 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.902 7.891 -26.170 1.00 0.00 H new ATOM 997 N VAL A 67 -6.125 7.827 -23.344 1.00 0.00 N ATOM 998 CA VAL A 67 -5.441 8.919 -22.674 1.00 0.00 C ATOM 999 C VAL A 67 -4.001 9.002 -23.183 1.00 0.00 C ATOM 1000 O VAL A 67 -3.433 10.089 -23.280 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.530 8.741 -21.157 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -4.185 8.300 -20.576 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -6.025 10.023 -20.483 1.00 0.00 C ATOM 0 H VAL A 67 -6.067 6.929 -22.864 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.922 9.869 -22.904 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.256 7.954 -20.954 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.276 8.181 -19.496 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.890 7.350 -21.022 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.429 9.054 -20.795 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.079 9.870 -19.405 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.334 10.838 -20.699 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.015 10.276 -20.864 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.449 7.837 -23.494 1.00 0.00 N ATOM 1014 CA ARG A 68 -2.086 7.763 -23.990 1.00 0.00 C ATOM 1015 C ARG A 68 -1.927 8.634 -25.238 1.00 0.00 C ATOM 1016 O ARG A 68 -0.875 9.235 -25.451 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.699 6.323 -24.329 1.00 0.00 C ATOM 1018 CG ARG A 68 -0.215 6.221 -24.685 1.00 0.00 C ATOM 1019 CD ARG A 68 0.552 5.438 -23.617 1.00 0.00 C ATOM 1020 NE ARG A 68 0.809 4.059 -24.088 1.00 0.00 N ATOM 1021 CZ ARG A 68 1.849 3.710 -24.858 1.00 0.00 C ATOM 1022 NH1 ARG A 68 2.734 4.636 -25.248 1.00 0.00 N ATOM 1023 NH2 ARG A 68 2.003 2.434 -25.237 1.00 0.00 N ATOM 0 H ARG A 68 -3.922 6.937 -23.412 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.427 8.127 -23.202 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.918 5.675 -23.480 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.302 5.968 -25.165 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.102 5.731 -25.652 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.209 7.220 -24.783 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.495 5.937 -23.395 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.021 5.414 -22.690 1.00 0.00 H new ATOM 0 HE ARG A 68 0.154 3.329 -23.809 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.617 5.607 -24.959 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.525 4.370 -25.834 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.329 1.729 -24.940 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.794 2.168 -25.823 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.988 8.674 -26.032 1.00 0.00 N ATOM 1038 CA GLU A 69 -2.979 9.460 -27.254 1.00 0.00 C ATOM 1039 C GLU A 69 -3.288 10.927 -26.943 1.00 0.00 C ATOM 1040 O GLU A 69 -2.868 11.822 -27.673 1.00 0.00 O ATOM 1041 CB GLU A 69 -3.968 8.896 -28.275 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.412 9.096 -27.810 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.341 8.058 -28.441 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.113 6.857 -28.176 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.256 8.487 -29.175 1.00 0.00 O ATOM 0 H GLU A 69 -3.859 8.175 -25.852 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.983 9.404 -27.693 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.821 9.386 -29.238 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.775 7.834 -28.425 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.462 9.021 -26.724 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.748 10.098 -28.076 1.00 0.00 H new ATOM 1052 N LEU A 70 -4.020 11.126 -25.856 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.391 12.468 -25.440 1.00 0.00 C ATOM 1054 C LEU A 70 -3.132 13.335 -25.351 1.00 0.00 C ATOM 1055 O LEU A 70 -2.927 14.224 -26.175 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.199 12.423 -24.143 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.683 12.774 -24.264 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.868 14.189 -24.817 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.427 11.731 -25.099 1.00 0.00 C ATOM 0 H LEU A 70 -4.366 10.381 -25.251 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.046 12.929 -26.180 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.116 11.421 -23.722 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.741 13.108 -23.429 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.120 12.758 -23.266 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.932 14.414 -24.893 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.393 14.906 -24.148 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.411 14.256 -25.804 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.480 12.005 -25.169 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.995 11.690 -26.099 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.337 10.754 -24.625 1.00 0.00 H new ATOM 1071 N SER A 71 -2.323 13.046 -24.342 1.00 0.00 N ATOM 1072 CA SER A 71 -1.092 13.787 -24.134 1.00 0.00 C ATOM 1073 C SER A 71 -0.060 13.396 -25.195 1.00 0.00 C ATOM 1074 O SER A 71 1.024 12.918 -24.863 1.00 0.00 O ATOM 1075 CB SER A 71 -0.531 13.542 -22.732 1.00 0.00 C ATOM 1076 OG SER A 71 -0.335 12.155 -22.470 1.00 0.00 O ATOM 0 H SER A 71 -2.497 12.308 -23.660 1.00 0.00 H new ATOM 0 HA SER A 71 -1.314 14.850 -24.226 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.417 14.069 -22.624 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.213 13.958 -21.991 1.00 0.00 H new ATOM 0 HG SER A 71 0.611 11.990 -22.273 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.434 13.613 -26.446 1.00 0.00 N ATOM 1083 CA LYS A 72 0.446 13.289 -27.557 1.00 0.00 C ATOM 1084 C LYS A 72 1.396 14.461 -27.807 1.00 0.00 C ATOM 1085 O LYS A 72 2.598 14.264 -27.984 1.00 0.00 O ATOM 1086 CB LYS A 72 -0.371 12.886 -28.786 1.00 0.00 C ATOM 1087 CG LYS A 72 -0.286 11.378 -29.030 1.00 0.00 C ATOM 1088 CD LYS A 72 0.580 11.067 -30.253 1.00 0.00 C ATOM 1089 CE LYS A 72 1.936 10.498 -29.833 1.00 0.00 C ATOM 1090 NZ LYS A 72 2.598 9.837 -30.980 1.00 0.00 N ATOM 0 H LYS A 72 -1.334 14.009 -26.716 1.00 0.00 H new ATOM 0 HA LYS A 72 1.064 12.424 -27.315 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.412 13.177 -28.647 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.005 13.421 -29.662 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.131 10.887 -28.151 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.287 10.973 -29.177 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.065 10.353 -30.896 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.728 11.974 -30.839 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.570 11.298 -29.451 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.801 9.783 -29.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.517 9.456 -30.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.999 9.061 -31.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.744 10.529 -31.743 1.00 0.00 H new ATOM 1104 N THR A 73 0.823 15.656 -27.814 1.00 0.00 N ATOM 1105 CA THR A 73 1.605 16.860 -28.041 1.00 0.00 C ATOM 1106 C THR A 73 2.043 17.470 -26.707 1.00 0.00 C ATOM 1107 O THR A 73 2.871 18.377 -26.678 1.00 0.00 O ATOM 1108 CB THR A 73 0.770 17.811 -28.899 1.00 0.00 C ATOM 1109 OG1 THR A 73 0.799 17.223 -30.198 1.00 0.00 O ATOM 1110 CG2 THR A 73 1.444 19.171 -29.091 1.00 0.00 C ATOM 0 H THR A 73 -0.173 15.816 -27.666 1.00 0.00 H new ATOM 0 HA THR A 73 2.526 16.638 -28.580 1.00 0.00 H new ATOM 0 HB THR A 73 -0.207 17.952 -28.438 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.279 17.775 -30.819 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.809 19.808 -29.707 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.597 19.642 -28.120 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.407 19.034 -29.583 1.00 0.00 H new ATOM 1118 N TYR A 74 1.465 16.947 -25.636 1.00 0.00 N ATOM 1119 CA TYR A 74 1.785 17.428 -24.303 1.00 0.00 C ATOM 1120 C TYR A 74 2.941 16.632 -23.695 1.00 0.00 C ATOM 1121 O TYR A 74 3.141 16.650 -22.482 1.00 0.00 O ATOM 1122 CB TYR A 74 0.527 17.202 -23.460 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.719 17.905 -24.002 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.590 19.034 -24.786 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.973 17.410 -23.706 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.762 19.696 -25.295 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -3.146 18.072 -24.217 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.983 19.182 -24.985 1.00 0.00 C ATOM 1129 OH TYR A 74 -4.091 19.806 -25.467 1.00 0.00 O ATOM 0 H TYR A 74 0.777 16.195 -25.664 1.00 0.00 H new ATOM 0 HA TYR A 74 2.085 18.475 -24.335 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.330 16.132 -23.399 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.715 17.550 -22.444 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.391 19.421 -25.018 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.075 16.527 -23.092 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.674 20.580 -25.909 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.133 17.695 -23.995 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.892 19.328 -25.167 1.00 0.00 H new ATOM 1139 N ILE A 75 3.672 15.952 -24.567 1.00 0.00 N ATOM 1140 CA ILE A 75 4.802 15.151 -24.131 1.00 0.00 C ATOM 1141 C ILE A 75 6.059 16.024 -24.103 1.00 0.00 C ATOM 1142 O ILE A 75 6.170 16.983 -24.865 1.00 0.00 O ATOM 1143 CB ILE A 75 4.942 13.901 -25.002 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.141 12.735 -24.420 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.413 13.538 -25.210 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.833 12.159 -23.182 1.00 0.00 C ATOM 0 H ILE A 75 3.503 15.940 -25.573 1.00 0.00 H new ATOM 0 HA ILE A 75 4.642 14.787 -23.116 1.00 0.00 H new ATOM 0 HB ILE A 75 4.524 14.121 -25.984 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.139 13.073 -24.157 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.027 11.955 -25.173 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.483 12.646 -25.832 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.926 14.365 -25.702 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.880 13.344 -24.244 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.243 11.332 -22.787 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.826 11.800 -23.454 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.924 12.935 -22.422 1.00 0.00 H new ATOM 1158 N ILE A 76 6.974 15.660 -23.217 1.00 0.00 N ATOM 1159 CA ILE A 76 8.219 16.397 -23.080 1.00 0.00 C ATOM 1160 C ILE A 76 9.394 15.470 -23.397 1.00 0.00 C ATOM 1161 O ILE A 76 10.325 15.861 -24.099 1.00 0.00 O ATOM 1162 CB ILE A 76 8.306 17.049 -21.698 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.406 16.402 -20.855 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.949 17.018 -20.991 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.865 17.342 -19.738 1.00 0.00 C ATOM 0 H ILE A 76 6.878 14.864 -22.586 1.00 0.00 H new ATOM 0 HA ILE A 76 8.257 17.217 -23.798 1.00 0.00 H new ATOM 0 HB ILE A 76 8.576 18.097 -21.831 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.038 15.471 -20.424 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.253 16.146 -21.491 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.038 17.487 -20.011 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.215 17.560 -21.588 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.625 15.984 -20.870 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.647 16.858 -19.154 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.254 18.262 -20.174 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.021 17.577 -19.090 1.00 0.00 H new ATOM 1177 N GLY A 77 9.312 14.259 -22.866 1.00 0.00 N ATOM 1178 CA GLY A 77 10.357 13.274 -23.084 1.00 0.00 C ATOM 1179 C GLY A 77 10.474 12.326 -21.888 1.00 0.00 C ATOM 1180 O GLY A 77 9.539 11.589 -21.581 1.00 0.00 O ATOM 0 H GLY A 77 8.538 13.938 -22.285 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.140 12.702 -23.986 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.309 13.779 -23.247 1.00 0.00 H new ATOM 1184 N GLU A 78 11.632 12.377 -21.246 1.00 0.00 N ATOM 1185 CA GLU A 78 11.884 11.531 -20.090 1.00 0.00 C ATOM 1186 C GLU A 78 13.116 12.027 -19.329 1.00 0.00 C ATOM 1187 O GLU A 78 14.214 12.074 -19.881 1.00 0.00 O ATOM 1188 CB GLU A 78 12.049 10.068 -20.507 1.00 0.00 C ATOM 1189 CG GLU A 78 13.057 9.934 -21.651 1.00 0.00 C ATOM 1190 CD GLU A 78 12.903 8.588 -22.361 1.00 0.00 C ATOM 1191 OE1 GLU A 78 11.752 8.268 -22.727 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.941 7.910 -22.523 1.00 0.00 O ATOM 0 H GLU A 78 12.406 12.990 -21.503 1.00 0.00 H new ATOM 0 HA GLU A 78 11.022 11.590 -19.425 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.382 9.478 -19.653 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.085 9.664 -20.817 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.912 10.745 -22.365 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.070 10.030 -21.261 1.00 0.00 H new ATOM 1199 N LEU A 79 12.891 12.385 -18.073 1.00 0.00 N ATOM 1200 CA LEU A 79 13.969 12.875 -17.231 1.00 0.00 C ATOM 1201 C LEU A 79 15.151 11.907 -17.307 1.00 0.00 C ATOM 1202 O LEU A 79 14.983 10.743 -17.670 1.00 0.00 O ATOM 1203 CB LEU A 79 13.466 13.121 -15.807 1.00 0.00 C ATOM 1204 CG LEU A 79 13.623 11.955 -14.829 1.00 0.00 C ATOM 1205 CD1 LEU A 79 13.334 10.620 -15.518 1.00 0.00 C ATOM 1206 CD2 LEU A 79 15.004 11.974 -14.171 1.00 0.00 C ATOM 0 H LEU A 79 11.979 12.345 -17.619 1.00 0.00 H new ATOM 0 HA LEU A 79 14.324 13.841 -17.591 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.994 13.984 -15.401 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.410 13.388 -15.857 1.00 0.00 H new ATOM 0 HG LEU A 79 12.886 12.073 -14.034 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.453 9.807 -14.801 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.313 10.621 -15.900 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.030 10.479 -16.345 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.090 11.135 -13.481 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.774 11.892 -14.938 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.134 12.908 -13.625 1.00 0.00 H new ATOM 1218 N HIS A 80 16.320 12.422 -16.959 1.00 0.00 N ATOM 1219 CA HIS A 80 17.530 11.618 -16.983 1.00 0.00 C ATOM 1220 C HIS A 80 17.197 10.179 -16.583 1.00 0.00 C ATOM 1221 O HIS A 80 16.394 9.951 -15.680 1.00 0.00 O ATOM 1222 CB HIS A 80 18.615 12.241 -16.102 1.00 0.00 C ATOM 1223 CG HIS A 80 20.023 11.928 -16.550 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.867 11.093 -15.838 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.725 12.346 -17.641 1.00 0.00 C ATOM 1226 CE1 HIS A 80 22.022 11.019 -16.481 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.933 11.797 -17.598 1.00 0.00 N ATOM 0 H HIS A 80 16.456 13.387 -16.658 1.00 0.00 H new ATOM 0 HA HIS A 80 17.935 11.594 -17.995 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.481 13.323 -16.088 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.484 11.890 -15.078 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.360 13.011 -18.410 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.883 10.444 -16.175 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.673 11.934 -18.287 1.00 0.00 H new ATOM 1235 N PRO A 81 17.849 9.219 -17.293 1.00 0.00 N ATOM 1236 CA PRO A 81 17.630 7.809 -17.023 1.00 0.00 C ATOM 1237 C PRO A 81 18.337 7.383 -15.734 1.00 0.00 C ATOM 1238 O PRO A 81 17.943 6.404 -15.100 1.00 0.00 O ATOM 1239 CB PRO A 81 18.153 7.086 -18.253 1.00 0.00 C ATOM 1240 CG PRO A 81 19.064 8.076 -18.961 1.00 0.00 C ATOM 1241 CD PRO A 81 18.808 9.451 -18.370 1.00 0.00 C ATOM 0 HA PRO A 81 16.580 7.571 -16.855 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.698 6.184 -17.974 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.334 6.776 -18.902 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.109 7.793 -18.831 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.865 8.078 -20.033 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.728 9.897 -17.992 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.406 10.135 -19.118 1.00 0.00 H new ATOM 1249 N ASP A 82 19.367 8.138 -15.383 1.00 0.00 N ATOM 1250 CA ASP A 82 20.131 7.850 -14.182 1.00 0.00 C ATOM 1251 C ASP A 82 19.343 8.320 -12.956 1.00 0.00 C ATOM 1252 O ASP A 82 19.314 7.637 -11.934 1.00 0.00 O ATOM 1253 CB ASP A 82 21.471 8.588 -14.192 1.00 0.00 C ATOM 1254 CG ASP A 82 22.667 7.762 -13.713 1.00 0.00 C ATOM 1255 OD1 ASP A 82 22.746 6.586 -14.127 1.00 0.00 O ATOM 1256 OD2 ASP A 82 23.475 8.326 -12.945 1.00 0.00 O ATOM 0 H ASP A 82 19.690 8.949 -15.910 1.00 0.00 H new ATOM 0 HA ASP A 82 20.310 6.775 -14.146 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.670 8.934 -15.206 1.00 0.00 H new ATOM 0 HB3 ASP A 82 21.385 9.474 -13.563 1.00 0.00 H new ATOM 1261 N ASP A 83 18.722 9.481 -13.101 1.00 0.00 N ATOM 1262 CA ASP A 83 17.936 10.049 -12.020 1.00 0.00 C ATOM 1263 C ASP A 83 16.612 9.292 -11.905 1.00 0.00 C ATOM 1264 O ASP A 83 16.011 9.244 -10.833 1.00 0.00 O ATOM 1265 CB ASP A 83 17.617 11.522 -12.285 1.00 0.00 C ATOM 1266 CG ASP A 83 18.789 12.484 -12.086 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.769 12.352 -12.852 1.00 0.00 O ATOM 1268 OD2 ASP A 83 18.681 13.331 -11.172 1.00 0.00 O ATOM 0 H ASP A 83 18.747 10.044 -13.951 1.00 0.00 H new ATOM 0 HA ASP A 83 18.517 9.966 -11.102 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.255 11.621 -13.308 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.802 11.825 -11.628 1.00 0.00 H new ATOM 1273 N ARG A 84 16.196 8.719 -13.025 1.00 0.00 N ATOM 1274 CA ARG A 84 14.954 7.965 -13.064 1.00 0.00 C ATOM 1275 C ARG A 84 15.057 6.726 -12.171 1.00 0.00 C ATOM 1276 O ARG A 84 14.066 6.299 -11.581 1.00 0.00 O ATOM 1277 CB ARG A 84 14.618 7.531 -14.492 1.00 0.00 C ATOM 1278 CG ARG A 84 13.870 6.196 -14.497 1.00 0.00 C ATOM 1279 CD ARG A 84 14.848 5.020 -14.555 1.00 0.00 C ATOM 1280 NE ARG A 84 14.227 3.881 -15.267 1.00 0.00 N ATOM 1281 CZ ARG A 84 14.895 2.792 -15.670 1.00 0.00 C ATOM 1282 NH1 ARG A 84 16.211 2.689 -15.435 1.00 0.00 N ATOM 1283 NH2 ARG A 84 14.249 1.807 -16.309 1.00 0.00 N ATOM 0 H ARG A 84 16.697 8.762 -13.912 1.00 0.00 H new ATOM 0 HA ARG A 84 14.159 8.615 -12.698 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.009 8.295 -14.974 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.535 7.440 -15.074 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.253 6.117 -13.602 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.196 6.156 -15.353 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.763 5.322 -15.064 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.129 4.719 -13.546 1.00 0.00 H new ATOM 0 HE ARG A 84 13.227 3.928 -15.463 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.703 3.439 -14.950 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.720 1.860 -15.741 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.248 1.886 -16.489 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.758 0.978 -16.616 1.00 0.00 H new ATOM 1297 N SER A 85 16.264 6.184 -12.103 1.00 0.00 N ATOM 1298 CA SER A 85 16.508 5.003 -11.293 1.00 0.00 C ATOM 1299 C SER A 85 16.778 5.409 -9.842 1.00 0.00 C ATOM 1300 O SER A 85 16.807 4.562 -8.952 1.00 0.00 O ATOM 1301 CB SER A 85 17.683 4.192 -11.844 1.00 0.00 C ATOM 1302 OG SER A 85 17.773 2.904 -11.239 1.00 0.00 O ATOM 0 H SER A 85 17.083 6.541 -12.595 1.00 0.00 H new ATOM 0 HA SER A 85 15.618 4.374 -11.328 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.572 4.079 -12.922 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.611 4.738 -11.675 1.00 0.00 H new ATOM 0 HG SER A 85 17.579 2.978 -10.281 1.00 0.00 H new ATOM 1308 N LYS A 86 16.969 6.707 -9.650 1.00 0.00 N ATOM 1309 CA LYS A 86 17.235 7.235 -8.324 1.00 0.00 C ATOM 1310 C LYS A 86 15.938 7.238 -7.512 1.00 0.00 C ATOM 1311 O LYS A 86 15.958 7.009 -6.303 1.00 0.00 O ATOM 1312 CB LYS A 86 17.905 8.608 -8.418 1.00 0.00 C ATOM 1313 CG LYS A 86 19.376 8.473 -8.816 1.00 0.00 C ATOM 1314 CD LYS A 86 20.237 9.509 -8.090 1.00 0.00 C ATOM 1315 CE LYS A 86 21.402 8.838 -7.359 1.00 0.00 C ATOM 1316 NZ LYS A 86 22.405 8.342 -8.328 1.00 0.00 N ATOM 0 H LYS A 86 16.945 7.407 -10.391 1.00 0.00 H new ATOM 0 HA LYS A 86 17.942 6.597 -7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.381 9.223 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.829 9.120 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.730 7.470 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.478 8.601 -9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.622 10.234 -8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.625 10.061 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.868 9.548 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.031 8.010 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 23.189 7.890 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 21.961 7.649 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 22.771 9.139 -8.887 1.00 0.00 H new ATOM 1330 N ILE A 87 14.842 7.502 -8.207 1.00 0.00 N ATOM 1331 CA ILE A 87 13.538 7.538 -7.565 1.00 0.00 C ATOM 1332 C ILE A 87 13.222 6.158 -6.986 1.00 0.00 C ATOM 1333 O ILE A 87 12.307 6.016 -6.176 1.00 0.00 O ATOM 1334 CB ILE A 87 12.477 8.056 -8.537 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.426 9.585 -8.530 1.00 0.00 C ATOM 1336 CG2 ILE A 87 11.110 7.436 -8.239 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.675 10.115 -9.753 1.00 0.00 C ATOM 0 H ILE A 87 14.829 7.693 -9.209 1.00 0.00 H new ATOM 0 HA ILE A 87 13.542 8.240 -6.731 1.00 0.00 H new ATOM 0 HB ILE A 87 12.758 7.748 -9.544 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.936 9.932 -7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.439 9.986 -8.519 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.374 7.821 -8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.173 6.352 -8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.808 7.692 -7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.654 11.204 -9.723 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.181 9.787 -10.661 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.655 9.732 -9.748 1.00 0.00 H new ATOM 1349 N ALA A 88 13.995 5.176 -7.426 1.00 0.00 N ATOM 1350 CA ALA A 88 13.807 3.812 -6.961 1.00 0.00 C ATOM 1351 C ALA A 88 13.388 3.831 -5.490 1.00 0.00 C ATOM 1352 O ALA A 88 14.231 3.953 -4.603 1.00 0.00 O ATOM 1353 CB ALA A 88 15.092 3.013 -7.191 1.00 0.00 C ATOM 0 H ALA A 88 14.752 5.297 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 88 13.012 3.321 -7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.952 1.990 -6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.330 3.005 -8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.911 3.475 -6.640 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -6.197 12.469 -15.914 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.545 12.270 -15.707 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.405 12.476 -19.305 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.832 12.693 -16.104 1.00 0.00 C HETATM 1364 CHD HEM A 95 -5.973 12.484 -12.509 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.701 12.377 -17.227 1.00 0.00 N HETATM 1366 C1A HEM A 95 -9.032 12.310 -16.929 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.785 12.265 -18.179 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.897 12.330 -19.185 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.594 12.411 -18.588 1.00 0.00 C HETATM 1370 CMA HEM A 95 -9.240 12.275 -20.666 1.00 0.00 C HETATM 1371 CAA HEM A 95 -11.173 11.572 -18.431 1.00 0.00 C HETATM 1372 CBA HEM A 95 -11.518 10.173 -17.874 1.00 0.00 C HETATM 1373 CGA HEM A 95 -10.999 9.037 -18.746 1.00 0.00 C HETATM 1374 O1A HEM A 95 -11.583 8.792 -19.831 1.00 0.00 O HETATM 1375 O2A HEM A 95 -9.994 8.384 -18.367 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.872 12.556 -17.398 1.00 0.00 N HETATM 1377 C1B HEM A 95 -5.153 12.542 -18.731 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.927 12.631 -19.505 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.923 12.691 -18.616 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.511 12.664 -17.277 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.766 12.630 -21.017 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.453 12.780 -18.946 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.661 13.709 -18.894 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.692 12.584 -14.573 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.359 12.661 -14.858 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.591 12.695 -13.634 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.507 12.657 -12.595 1.00 0.00 C HETATM 1388 C4C HEM A 95 -4.801 12.562 -13.196 1.00 0.00 C HETATM 1389 CMC HEM A 95 -1.112 12.796 -13.454 1.00 0.00 C HETATM 1390 CAC HEM A 95 -3.139 12.688 -11.147 1.00 0.00 C HETATM 1391 CBC HEM A 95 -2.516 11.990 -10.569 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.522 12.398 -14.408 1.00 0.00 N HETATM 1393 C1D HEM A 95 -7.233 12.412 -13.057 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.493 12.332 -12.292 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.454 12.272 -13.198 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.864 12.316 -14.515 1.00 0.00 C HETATM 1397 CMD HEM A 95 -8.611 12.332 -10.797 1.00 0.00 C HETATM 1398 CAD HEM A 95 -11.056 12.422 -13.079 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.613 11.400 -12.058 1.00 0.00 C HETATM 1400 CGD HEM A 95 -12.664 12.031 -11.146 1.00 0.00 C HETATM 1401 O1D HEM A 95 -12.503 12.305 -9.957 1.00 0.00 O HETATM 1402 O2D HEM A 95 -13.843 11.952 -11.746 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -8.482 12.813 -21.235 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -10.214 12.736 -20.831 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -9.270 11.236 -20.994 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -4.570 12.048 -21.468 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -2.805 12.187 -21.280 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.808 13.654 -21.388 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.894 13.311 -12.519 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -0.682 13.355 -14.285 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -0.680 11.796 -13.427 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -9.559 12.785 -10.507 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -7.789 12.904 -10.367 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -8.571 11.307 -10.429 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.379 13.556 -19.184 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -0.994 14.691 -18.558 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -2.346 12.163 -9.506 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -2.068 11.125 -11.059 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -12.600 10.084 -17.778 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -11.100 10.074 -16.872 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -11.302 11.517 -19.512 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.935 12.254 -18.053 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -10.796 11.006 -11.454 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -12.052 10.556 -12.590 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.517 12.262 -14.054 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.312 13.435 -12.768 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.620 12.192 -15.641 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.466 12.475 -20.383 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.755 12.747 -16.171 1.00 0.00 H new HETATM 0 HHD HEM A 95 -5.908 12.478 -11.431 1.00 0.00 H new HETATM 0 HAB HEM A 95 -1.018 11.843 -19.295 1.00 0.00 H new HETATM 0 HAC HEM A 95 -3.548 13.525 -10.581 1.00 0.00 H new