USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 42 TYR OH : rot 7:sc= 0.096 USER MOD Set 1.2: A 56 HIS : no HD1:sc= -1.51 K(o=-1.4,f=-0.076) USER MOD Set 2.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 HIS : no HD1:sc= -7.75! C(o=-7.8!,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0577 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0357 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.16) USER MOD Single : A 13 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.229) USER MOD Single : A 17 MET CE :methyl -173:sc= -0.114 (180deg=-0.187) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 1.03 (180deg=0.497) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 96:sc= 0.314 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.41) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= -0.0242 (180deg=-0.223) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0355 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0818 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.872 10.158 8.710 1.00 0.00 N ATOM 2 CA GLY A 1 -29.252 8.805 8.348 1.00 0.00 C ATOM 3 C GLY A 1 -28.056 7.938 8.007 1.00 0.00 C ATOM 4 O GLY A 1 -26.928 8.245 8.394 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.423 10.464 9.538 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.858 10.184 8.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.063 10.797 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.801 8.352 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.929 8.837 7.494 1.00 0.00 H new ATOM 8 N SER A 2 -28.301 6.852 7.281 1.00 0.00 N ATOM 9 CA SER A 2 -27.236 5.935 6.892 1.00 0.00 C ATOM 10 C SER A 2 -27.580 5.224 5.588 1.00 0.00 C ATOM 11 O SER A 2 -28.742 4.911 5.326 1.00 0.00 O ATOM 12 CB SER A 2 -26.991 4.907 7.998 1.00 0.00 C ATOM 13 OG SER A 2 -26.622 5.540 9.211 1.00 0.00 O ATOM 0 H SER A 2 -29.228 6.585 6.950 1.00 0.00 H new ATOM 0 HA SER A 2 -26.327 6.517 6.738 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.892 4.314 8.153 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.205 4.218 7.690 1.00 0.00 H new ATOM 0 HG SER A 2 -26.473 4.861 9.902 1.00 0.00 H new ATOM 19 N SER A 3 -26.562 4.971 4.772 1.00 0.00 N ATOM 20 CA SER A 3 -26.756 4.300 3.492 1.00 0.00 C ATOM 21 C SER A 3 -25.781 3.137 3.335 1.00 0.00 C ATOM 22 O SER A 3 -24.607 3.244 3.689 1.00 0.00 O ATOM 23 CB SER A 3 -26.575 5.290 2.340 1.00 0.00 C ATOM 24 OG SER A 3 -27.205 4.821 1.161 1.00 0.00 O ATOM 0 H SER A 3 -25.594 5.221 4.975 1.00 0.00 H new ATOM 0 HA SER A 3 -27.772 3.906 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.992 6.258 2.619 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.512 5.444 2.152 1.00 0.00 H new ATOM 0 HG SER A 3 -27.076 5.472 0.440 1.00 0.00 H new ATOM 30 N GLY A 4 -26.277 2.025 2.801 1.00 0.00 N ATOM 31 CA GLY A 4 -25.438 0.857 2.606 1.00 0.00 C ATOM 32 C GLY A 4 -24.762 0.408 3.887 1.00 0.00 C ATOM 33 O GLY A 4 -23.553 0.179 3.912 1.00 0.00 O ATOM 0 H GLY A 4 -27.245 1.912 2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.043 0.040 2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.678 1.080 1.857 1.00 0.00 H new ATOM 37 N SER A 5 -25.544 0.284 4.954 1.00 0.00 N ATOM 38 CA SER A 5 -25.013 -0.135 6.246 1.00 0.00 C ATOM 39 C SER A 5 -25.530 -1.520 6.623 1.00 0.00 C ATOM 40 O SER A 5 -24.803 -2.332 7.195 1.00 0.00 O ATOM 41 CB SER A 5 -25.394 0.876 7.330 1.00 0.00 C ATOM 42 OG SER A 5 -24.471 1.950 7.372 1.00 0.00 O ATOM 0 H SER A 5 -26.547 0.468 4.950 1.00 0.00 H new ATOM 0 HA SER A 5 -23.927 -0.181 6.167 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.396 1.260 7.137 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.424 0.380 8.300 1.00 0.00 H new ATOM 0 HG SER A 5 -24.737 2.583 8.071 1.00 0.00 H new ATOM 48 N SER A 6 -26.792 -1.783 6.297 1.00 0.00 N ATOM 49 CA SER A 6 -27.409 -3.068 6.604 1.00 0.00 C ATOM 50 C SER A 6 -28.494 -3.406 5.586 1.00 0.00 C ATOM 51 O SER A 6 -29.511 -2.720 5.495 1.00 0.00 O ATOM 52 CB SER A 6 -28.004 -3.048 8.013 1.00 0.00 C ATOM 53 OG SER A 6 -28.273 -4.362 8.472 1.00 0.00 O ATOM 0 H SER A 6 -27.407 -1.123 5.820 1.00 0.00 H new ATOM 0 HA SER A 6 -26.637 -3.836 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.312 -2.555 8.696 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.924 -2.463 8.014 1.00 0.00 H new ATOM 0 HG SER A 6 -28.651 -4.322 9.375 1.00 0.00 H new ATOM 59 N GLY A 7 -28.269 -4.470 4.822 1.00 0.00 N ATOM 60 CA GLY A 7 -29.235 -4.882 3.820 1.00 0.00 C ATOM 61 C GLY A 7 -28.763 -6.078 3.017 1.00 0.00 C ATOM 62 O GLY A 7 -27.608 -6.135 2.596 1.00 0.00 O ATOM 0 H GLY A 7 -27.435 -5.054 4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.179 -5.125 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.431 -4.049 3.145 1.00 0.00 H new ATOM 66 N SER A 8 -29.659 -7.038 2.806 1.00 0.00 N ATOM 67 CA SER A 8 -29.327 -8.241 2.053 1.00 0.00 C ATOM 68 C SER A 8 -30.020 -8.240 0.694 1.00 0.00 C ATOM 69 O SER A 8 -31.166 -7.806 0.570 1.00 0.00 O ATOM 70 CB SER A 8 -29.727 -9.489 2.842 1.00 0.00 C ATOM 71 OG SER A 8 -31.126 -9.523 3.067 1.00 0.00 O ATOM 0 H SER A 8 -30.620 -7.005 3.146 1.00 0.00 H new ATOM 0 HA SER A 8 -28.249 -8.253 1.891 1.00 0.00 H new ATOM 0 HB2 SER A 8 -29.421 -10.382 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 8 -29.201 -9.504 3.797 1.00 0.00 H new ATOM 0 HG SER A 8 -31.357 -10.331 3.572 1.00 0.00 H new ATOM 77 N ILE A 9 -29.318 -8.730 -0.322 1.00 0.00 N ATOM 78 CA ILE A 9 -29.866 -8.787 -1.672 1.00 0.00 C ATOM 79 C ILE A 9 -29.536 -10.116 -2.343 1.00 0.00 C ATOM 80 O ILE A 9 -28.517 -10.738 -2.046 1.00 0.00 O ATOM 81 CB ILE A 9 -29.331 -7.637 -2.545 1.00 0.00 C ATOM 82 CG1 ILE A 9 -29.561 -6.292 -1.853 1.00 0.00 C ATOM 83 CG2 ILE A 9 -29.999 -7.656 -3.912 1.00 0.00 C ATOM 84 CD1 ILE A 9 -28.523 -5.249 -2.201 1.00 0.00 C ATOM 0 H ILE A 9 -28.369 -9.093 -0.236 1.00 0.00 H new ATOM 0 HA ILE A 9 -30.948 -8.689 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 9 -28.259 -7.774 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -30.547 -5.916 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -29.564 -6.444 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -29.611 -6.837 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -29.789 -8.605 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -31.076 -7.540 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -28.749 -4.321 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -27.536 -5.604 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -28.535 -5.069 -3.276 1.00 0.00 H new ATOM 96 N GLY A 10 -30.407 -10.546 -3.252 1.00 0.00 N ATOM 97 CA GLY A 10 -30.190 -11.798 -3.953 1.00 0.00 C ATOM 98 C GLY A 10 -29.026 -11.726 -4.922 1.00 0.00 C ATOM 99 O GLY A 10 -29.197 -11.349 -6.080 1.00 0.00 O ATOM 0 H GLY A 10 -31.258 -10.050 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -30.006 -12.590 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -31.095 -12.068 -4.497 1.00 0.00 H new ATOM 103 N ASN A 11 -27.839 -12.087 -4.446 1.00 0.00 N ATOM 104 CA ASN A 11 -26.641 -12.059 -5.278 1.00 0.00 C ATOM 105 C ASN A 11 -25.686 -13.185 -4.895 1.00 0.00 C ATOM 106 O ASN A 11 -25.271 -13.295 -3.742 1.00 0.00 O ATOM 107 CB ASN A 11 -25.934 -10.709 -5.146 1.00 0.00 C ATOM 108 CG ASN A 11 -26.709 -9.584 -5.805 1.00 0.00 C ATOM 109 OD1 ASN A 11 -27.078 -8.605 -5.155 1.00 0.00 O ATOM 110 ND2 ASN A 11 -26.960 -9.718 -7.102 1.00 0.00 N ATOM 0 H ASN A 11 -27.681 -12.402 -3.489 1.00 0.00 H new ATOM 0 HA ASN A 11 -26.946 -12.202 -6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -25.791 -10.478 -4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -24.943 -10.775 -5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -27.477 -8.993 -7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -26.635 -10.546 -7.601 1.00 0.00 H new ATOM 117 N ALA A 12 -25.342 -14.020 -5.870 1.00 0.00 N ATOM 118 CA ALA A 12 -24.434 -15.136 -5.636 1.00 0.00 C ATOM 119 C ALA A 12 -22.999 -14.649 -5.461 1.00 0.00 C ATOM 120 O ALA A 12 -22.288 -15.097 -4.562 1.00 0.00 O ATOM 121 CB ALA A 12 -24.519 -16.134 -6.781 1.00 0.00 C ATOM 0 H ALA A 12 -25.679 -13.945 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 12 -24.737 -15.631 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -23.836 -16.962 -6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -25.538 -16.514 -6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -24.245 -15.642 -7.714 1.00 0.00 H new ATOM 127 N GLN A 13 -22.582 -13.730 -6.326 1.00 0.00 N ATOM 128 CA GLN A 13 -21.231 -13.184 -6.267 1.00 0.00 C ATOM 129 C GLN A 13 -21.025 -12.378 -4.989 1.00 0.00 C ATOM 130 O GLN A 13 -21.986 -11.932 -4.362 1.00 0.00 O ATOM 131 CB GLN A 13 -20.960 -12.304 -7.489 1.00 0.00 C ATOM 132 CG GLN A 13 -21.152 -13.026 -8.813 1.00 0.00 C ATOM 133 CD GLN A 13 -19.943 -13.852 -9.208 1.00 0.00 C ATOM 134 OE1 GLN A 13 -19.999 -15.082 -9.231 1.00 0.00 O ATOM 135 NE2 GLN A 13 -18.843 -13.179 -9.522 1.00 0.00 N ATOM 0 H GLN A 13 -23.159 -13.348 -7.075 1.00 0.00 H new ATOM 0 HA GLN A 13 -20.529 -14.018 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -21.622 -11.439 -7.457 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -19.939 -11.926 -7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -22.025 -13.676 -8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -21.359 -12.295 -9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.842 -12.160 -9.489 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -17.999 -13.681 -9.796 1.00 0.00 H new ATOM 144 N LYS A 14 -19.765 -12.195 -4.608 1.00 0.00 N ATOM 145 CA LYS A 14 -19.431 -11.442 -3.405 1.00 0.00 C ATOM 146 C LYS A 14 -18.516 -10.267 -3.735 1.00 0.00 C ATOM 147 O LYS A 14 -18.082 -10.107 -4.876 1.00 0.00 O ATOM 148 CB LYS A 14 -18.758 -12.354 -2.377 1.00 0.00 C ATOM 149 CG LYS A 14 -17.400 -12.871 -2.820 1.00 0.00 C ATOM 150 CD LYS A 14 -16.532 -13.248 -1.631 1.00 0.00 C ATOM 151 CE LYS A 14 -16.737 -14.701 -1.231 1.00 0.00 C ATOM 152 NZ LYS A 14 -17.920 -14.871 -0.343 1.00 0.00 N ATOM 0 H LYS A 14 -18.958 -12.558 -5.115 1.00 0.00 H new ATOM 0 HA LYS A 14 -20.357 -11.051 -2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -18.642 -11.808 -1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -19.412 -13.202 -2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.533 -13.740 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.895 -12.108 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.483 -13.082 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.768 -12.600 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.865 -15.309 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.845 -15.067 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.756 -15.667 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.069 -14.001 0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.763 -15.063 -0.921 1.00 0.00 H new ATOM 166 N LEU A 15 -18.224 -9.450 -2.729 1.00 0.00 N ATOM 167 CA LEU A 15 -17.358 -8.290 -2.912 1.00 0.00 C ATOM 168 C LEU A 15 -15.985 -8.534 -2.295 1.00 0.00 C ATOM 169 O LEU A 15 -15.836 -9.275 -1.324 1.00 0.00 O ATOM 170 CB LEU A 15 -17.997 -7.048 -2.288 1.00 0.00 C ATOM 171 CG LEU A 15 -19.408 -6.705 -2.770 1.00 0.00 C ATOM 172 CD1 LEU A 15 -20.041 -5.660 -1.864 1.00 0.00 C ATOM 173 CD2 LEU A 15 -19.375 -6.216 -4.210 1.00 0.00 C ATOM 0 H LEU A 15 -18.574 -9.569 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.232 -8.127 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.027 -7.184 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.350 -6.193 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 15 -20.016 -7.609 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -21.044 -5.428 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -20.099 -6.047 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -19.434 -4.755 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -20.387 -5.977 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.752 -5.324 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.963 -6.996 -4.850 1.00 0.00 H new ATOM 185 N PRO A 16 -14.956 -7.893 -2.870 1.00 0.00 N ATOM 186 CA PRO A 16 -13.576 -8.022 -2.391 1.00 0.00 C ATOM 187 C PRO A 16 -13.367 -7.350 -1.039 1.00 0.00 C ATOM 188 O PRO A 16 -13.374 -6.124 -0.937 1.00 0.00 O ATOM 189 CB PRO A 16 -12.758 -7.314 -3.473 1.00 0.00 C ATOM 190 CG PRO A 16 -13.705 -6.344 -4.091 1.00 0.00 C ATOM 191 CD PRO A 16 -15.060 -6.993 -4.031 1.00 0.00 C ATOM 0 HA PRO A 16 -13.293 -9.063 -2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.893 -6.806 -3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.380 -8.022 -4.210 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.702 -5.397 -3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.423 -6.125 -5.121 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.853 -6.257 -3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.284 -7.542 -4.946 1.00 0.00 H new ATOM 199 N MET A 17 -13.180 -8.161 -0.003 1.00 0.00 N ATOM 200 CA MET A 17 -12.966 -7.643 1.344 1.00 0.00 C ATOM 201 C MET A 17 -11.713 -6.776 1.400 1.00 0.00 C ATOM 202 O MET A 17 -10.720 -7.056 0.727 1.00 0.00 O ATOM 203 CB MET A 17 -12.849 -8.795 2.344 1.00 0.00 C ATOM 204 CG MET A 17 -14.179 -9.210 2.952 1.00 0.00 C ATOM 205 SD MET A 17 -14.942 -7.891 3.917 1.00 0.00 S ATOM 206 CE MET A 17 -15.742 -8.838 5.210 1.00 0.00 C ATOM 0 H MET A 17 -13.172 -9.179 -0.070 1.00 0.00 H new ATOM 0 HA MET A 17 -13.825 -7.027 1.610 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.403 -9.655 1.844 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.169 -8.503 3.144 1.00 0.00 H new ATOM 0 HG2 MET A 17 -14.859 -9.513 2.156 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.027 -10.081 3.590 1.00 0.00 H new ATOM 0 HE1 MET A 17 -16.360 -8.176 5.817 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.368 -9.609 4.762 1.00 0.00 H new ATOM 0 HE3 MET A 17 -14.985 -9.306 5.840 1.00 0.00 H new ATOM 216 N CYS A 18 -11.764 -5.720 2.206 1.00 0.00 N ATOM 217 CA CYS A 18 -10.634 -4.811 2.350 1.00 0.00 C ATOM 218 C CYS A 18 -9.669 -5.308 3.423 1.00 0.00 C ATOM 219 O CYS A 18 -10.050 -5.485 4.581 1.00 0.00 O ATOM 220 CB CYS A 18 -11.125 -3.405 2.702 1.00 0.00 C ATOM 221 SG CYS A 18 -9.815 -2.140 2.707 1.00 0.00 S ATOM 0 H CYS A 18 -12.577 -5.473 2.770 1.00 0.00 H new ATOM 0 HA CYS A 18 -10.104 -4.776 1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -11.896 -3.112 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.594 -3.431 3.686 1.00 0.00 H new ATOM 226 N ASP A 19 -8.420 -5.531 3.030 1.00 0.00 N ATOM 227 CA ASP A 19 -7.400 -6.006 3.958 1.00 0.00 C ATOM 228 C ASP A 19 -7.190 -5.008 5.092 1.00 0.00 C ATOM 229 O ASP A 19 -6.894 -5.391 6.224 1.00 0.00 O ATOM 230 CB ASP A 19 -6.081 -6.244 3.221 1.00 0.00 C ATOM 231 CG ASP A 19 -4.910 -6.410 4.169 1.00 0.00 C ATOM 232 OD1 ASP A 19 -4.354 -5.382 4.612 1.00 0.00 O ATOM 233 OD2 ASP A 19 -4.549 -7.567 4.469 1.00 0.00 O ATOM 0 H ASP A 19 -8.089 -5.391 2.075 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.743 -6.948 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.171 -7.135 2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.886 -5.407 2.551 1.00 0.00 H new ATOM 238 N LYS A 20 -7.344 -3.725 4.781 1.00 0.00 N ATOM 239 CA LYS A 20 -7.171 -2.670 5.773 1.00 0.00 C ATOM 240 C LYS A 20 -8.244 -2.760 6.854 1.00 0.00 C ATOM 241 O LYS A 20 -7.953 -3.079 8.007 1.00 0.00 O ATOM 242 CB LYS A 20 -7.222 -1.296 5.101 1.00 0.00 C ATOM 243 CG LYS A 20 -7.321 -0.142 6.084 1.00 0.00 C ATOM 244 CD LYS A 20 -5.949 0.408 6.437 1.00 0.00 C ATOM 245 CE LYS A 20 -5.314 1.122 5.253 1.00 0.00 C ATOM 246 NZ LYS A 20 -3.968 1.665 5.590 1.00 0.00 N ATOM 0 H LYS A 20 -7.589 -3.391 3.849 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.196 -2.802 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.329 -1.166 4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.077 -1.262 4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.933 0.651 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.824 -0.477 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.037 1.099 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.302 -0.407 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.227 0.430 4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.963 1.935 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.439 1.851 4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.075 2.551 6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.449 0.973 6.167 1.00 0.00 H new ATOM 260 N CYS A 21 -9.485 -2.477 6.474 1.00 0.00 N ATOM 261 CA CYS A 21 -10.602 -2.526 7.410 1.00 0.00 C ATOM 262 C CYS A 21 -11.204 -3.928 7.466 1.00 0.00 C ATOM 263 O CYS A 21 -11.135 -4.604 8.491 1.00 0.00 O ATOM 264 CB CYS A 21 -11.677 -1.514 7.008 1.00 0.00 C ATOM 265 SG CYS A 21 -11.854 -1.293 5.208 1.00 0.00 S ATOM 0 H CYS A 21 -9.743 -2.211 5.524 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.225 -2.271 8.400 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.634 -1.834 7.420 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.441 -0.551 7.460 1.00 0.00 H new ATOM 270 N GLY A 22 -11.794 -4.357 6.354 1.00 0.00 N ATOM 271 CA GLY A 22 -12.399 -5.675 6.297 1.00 0.00 C ATOM 272 C GLY A 22 -13.868 -5.623 5.928 1.00 0.00 C ATOM 273 O GLY A 22 -14.687 -6.343 6.502 1.00 0.00 O ATOM 0 H GLY A 22 -11.864 -3.816 5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.866 -6.285 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.288 -6.165 7.264 1.00 0.00 H new ATOM 277 N THR A 23 -14.206 -4.768 4.968 1.00 0.00 N ATOM 278 CA THR A 23 -15.587 -4.622 4.525 1.00 0.00 C ATOM 279 C THR A 23 -15.695 -4.757 3.010 1.00 0.00 C ATOM 280 O THR A 23 -14.945 -4.127 2.266 1.00 0.00 O ATOM 281 CB THR A 23 -16.173 -3.264 4.952 1.00 0.00 C ATOM 282 OG1 THR A 23 -15.396 -2.198 4.394 1.00 0.00 O ATOM 283 CG2 THR A 23 -16.202 -3.139 6.467 1.00 0.00 C ATOM 0 H THR A 23 -13.542 -4.166 4.482 1.00 0.00 H new ATOM 0 HA THR A 23 -16.158 -5.420 5.000 1.00 0.00 H new ATOM 0 HB THR A 23 -17.195 -3.201 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.776 -1.338 4.669 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.620 -2.171 6.744 1.00 0.00 H new ATOM 0 HG22 THR A 23 -16.819 -3.934 6.886 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.188 -3.222 6.858 1.00 0.00 H new ATOM 291 N GLY A 24 -16.635 -5.582 2.560 1.00 0.00 N ATOM 292 CA GLY A 24 -16.825 -5.784 1.135 1.00 0.00 C ATOM 293 C GLY A 24 -16.828 -4.480 0.361 1.00 0.00 C ATOM 294 O GLY A 24 -17.750 -3.674 0.494 1.00 0.00 O ATOM 0 H GLY A 24 -17.269 -6.114 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.033 -6.428 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.768 -6.305 0.967 1.00 0.00 H new ATOM 298 N ILE A 25 -15.796 -4.272 -0.449 1.00 0.00 N ATOM 299 CA ILE A 25 -15.684 -3.058 -1.246 1.00 0.00 C ATOM 300 C ILE A 25 -16.755 -3.011 -2.330 1.00 0.00 C ATOM 301 O ILE A 25 -17.207 -4.047 -2.817 1.00 0.00 O ATOM 302 CB ILE A 25 -14.297 -2.943 -1.906 1.00 0.00 C ATOM 303 CG1 ILE A 25 -13.195 -3.035 -0.848 1.00 0.00 C ATOM 304 CG2 ILE A 25 -14.185 -1.640 -2.683 1.00 0.00 C ATOM 305 CD1 ILE A 25 -11.921 -3.674 -1.356 1.00 0.00 C ATOM 0 H ILE A 25 -15.025 -4.929 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 25 -15.823 -2.219 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.175 -3.771 -2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.969 -2.033 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.565 -3.608 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.199 -1.574 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.950 -1.612 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.325 -0.799 -2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.185 -3.706 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.133 -4.688 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.527 -3.089 -2.187 1.00 0.00 H new ATOM 317 N VAL A 26 -17.156 -1.800 -2.706 1.00 0.00 N ATOM 318 CA VAL A 26 -18.173 -1.617 -3.735 1.00 0.00 C ATOM 319 C VAL A 26 -17.750 -0.555 -4.743 1.00 0.00 C ATOM 320 O VAL A 26 -17.463 0.584 -4.377 1.00 0.00 O ATOM 321 CB VAL A 26 -19.527 -1.216 -3.121 1.00 0.00 C ATOM 322 CG1 VAL A 26 -19.399 0.088 -2.349 1.00 0.00 C ATOM 323 CG2 VAL A 26 -20.590 -1.102 -4.204 1.00 0.00 C ATOM 0 H VAL A 26 -16.792 -0.932 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.283 -2.574 -4.245 1.00 0.00 H new ATOM 0 HB VAL A 26 -19.834 -1.995 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -20.366 0.355 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -18.670 -0.034 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -19.069 0.879 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -21.540 -0.818 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -20.292 -0.344 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -20.700 -2.062 -4.708 1.00 0.00 H new ATOM 333 N GLY A 27 -17.713 -0.936 -6.017 1.00 0.00 N ATOM 334 CA GLY A 27 -17.324 -0.004 -7.059 1.00 0.00 C ATOM 335 C GLY A 27 -15.819 0.128 -7.187 1.00 0.00 C ATOM 336 O GLY A 27 -15.087 -0.847 -7.017 1.00 0.00 O ATOM 0 H GLY A 27 -17.946 -1.873 -6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -17.739 -0.335 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -17.755 0.974 -6.846 1.00 0.00 H new ATOM 340 N VAL A 28 -15.356 1.337 -7.489 1.00 0.00 N ATOM 341 CA VAL A 28 -13.928 1.592 -7.640 1.00 0.00 C ATOM 342 C VAL A 28 -13.157 1.150 -6.402 1.00 0.00 C ATOM 343 O VAL A 28 -13.581 1.395 -5.272 1.00 0.00 O ATOM 344 CB VAL A 28 -13.650 3.085 -7.899 1.00 0.00 C ATOM 345 CG1 VAL A 28 -14.346 3.947 -6.857 1.00 0.00 C ATOM 346 CG2 VAL A 28 -12.153 3.353 -7.911 1.00 0.00 C ATOM 0 H VAL A 28 -15.948 2.155 -7.634 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.591 1.012 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.051 3.347 -8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -14.138 4.998 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.421 3.775 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.978 3.686 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.974 4.412 -8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.726 3.075 -6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.684 2.764 -8.699 1.00 0.00 H new ATOM 356 N PHE A 29 -12.020 0.498 -6.622 1.00 0.00 N ATOM 357 CA PHE A 29 -11.188 0.020 -5.524 1.00 0.00 C ATOM 358 C PHE A 29 -9.817 -0.419 -6.031 1.00 0.00 C ATOM 359 O PHE A 29 -9.627 -0.642 -7.227 1.00 0.00 O ATOM 360 CB PHE A 29 -11.874 -1.142 -4.804 1.00 0.00 C ATOM 361 CG PHE A 29 -12.021 -2.371 -5.654 1.00 0.00 C ATOM 362 CD1 PHE A 29 -10.904 -3.068 -6.087 1.00 0.00 C ATOM 363 CD2 PHE A 29 -13.276 -2.829 -6.022 1.00 0.00 C ATOM 364 CE1 PHE A 29 -11.036 -4.200 -6.870 1.00 0.00 C ATOM 365 CE2 PHE A 29 -13.414 -3.960 -6.804 1.00 0.00 C ATOM 366 CZ PHE A 29 -12.293 -4.646 -7.230 1.00 0.00 C ATOM 0 H PHE A 29 -11.654 0.289 -7.551 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.050 0.842 -4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.302 -1.394 -3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.861 -0.821 -4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.919 -2.723 -5.810 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -14.156 -2.296 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.158 -4.735 -7.200 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -14.398 -4.308 -7.082 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.399 -5.529 -7.843 1.00 0.00 H new ATOM 376 N VAL A 30 -8.864 -0.540 -5.113 1.00 0.00 N ATOM 377 CA VAL A 30 -7.510 -0.952 -5.465 1.00 0.00 C ATOM 378 C VAL A 30 -7.400 -2.471 -5.537 1.00 0.00 C ATOM 379 O VAL A 30 -7.315 -3.148 -4.512 1.00 0.00 O ATOM 380 CB VAL A 30 -6.480 -0.421 -4.451 1.00 0.00 C ATOM 381 CG1 VAL A 30 -5.121 -1.063 -4.685 1.00 0.00 C ATOM 382 CG2 VAL A 30 -6.384 1.095 -4.534 1.00 0.00 C ATOM 0 H VAL A 30 -9.004 -0.359 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.295 -0.528 -6.446 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.813 -0.687 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.406 -0.676 -3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.205 -2.144 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.777 -0.830 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.652 1.453 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.075 1.386 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.357 1.534 -4.313 1.00 0.00 H new ATOM 392 N LYS A 31 -7.402 -3.001 -6.755 1.00 0.00 N ATOM 393 CA LYS A 31 -7.300 -4.441 -6.964 1.00 0.00 C ATOM 394 C LYS A 31 -5.845 -4.896 -6.920 1.00 0.00 C ATOM 395 O LYS A 31 -5.092 -4.694 -7.874 1.00 0.00 O ATOM 396 CB LYS A 31 -7.927 -4.829 -8.305 1.00 0.00 C ATOM 397 CG LYS A 31 -8.423 -6.263 -8.353 1.00 0.00 C ATOM 398 CD LYS A 31 -7.287 -7.238 -8.611 1.00 0.00 C ATOM 399 CE LYS A 31 -7.610 -8.626 -8.078 1.00 0.00 C ATOM 400 NZ LYS A 31 -8.574 -9.346 -8.956 1.00 0.00 N ATOM 0 H LYS A 31 -7.473 -2.455 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.842 -4.938 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.760 -4.158 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.192 -4.681 -9.096 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.910 -6.512 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.174 -6.363 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.091 -7.295 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.376 -6.869 -8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.691 -9.206 -7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.026 -8.542 -7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.769 -10.287 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.460 -8.805 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.167 -9.449 -9.907 1.00 0.00 H new ATOM 414 N LEU A 32 -5.455 -5.511 -5.809 1.00 0.00 N ATOM 415 CA LEU A 32 -4.090 -5.996 -5.642 1.00 0.00 C ATOM 416 C LEU A 32 -3.909 -7.356 -6.309 1.00 0.00 C ATOM 417 O LEU A 32 -4.884 -8.047 -6.605 1.00 0.00 O ATOM 418 CB LEU A 32 -3.741 -6.094 -4.156 1.00 0.00 C ATOM 419 CG LEU A 32 -3.420 -4.774 -3.453 1.00 0.00 C ATOM 420 CD1 LEU A 32 -2.611 -3.866 -4.367 1.00 0.00 C ATOM 421 CD2 LEU A 32 -4.699 -4.082 -3.008 1.00 0.00 C ATOM 0 H LEU A 32 -6.065 -5.686 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.417 -5.285 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.576 -6.565 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.883 -6.758 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.822 -4.992 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.392 -2.932 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.677 -4.359 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.184 -3.655 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.451 -3.145 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.323 -3.877 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.241 -4.728 -2.317 1.00 0.00 H new ATOM 433 N ARG A 33 -2.657 -7.734 -6.540 1.00 0.00 N ATOM 434 CA ARG A 33 -2.348 -9.012 -7.171 1.00 0.00 C ATOM 435 C ARG A 33 -3.370 -10.074 -6.776 1.00 0.00 C ATOM 436 O ARG A 33 -4.224 -10.456 -7.576 1.00 0.00 O ATOM 437 CB ARG A 33 -0.942 -9.472 -6.781 1.00 0.00 C ATOM 438 CG ARG A 33 0.166 -8.661 -7.433 1.00 0.00 C ATOM 439 CD ARG A 33 1.417 -8.634 -6.569 1.00 0.00 C ATOM 440 NE ARG A 33 2.547 -8.020 -7.262 1.00 0.00 N ATOM 441 CZ ARG A 33 3.438 -7.236 -6.666 1.00 0.00 C ATOM 442 NH1 ARG A 33 3.330 -6.971 -5.371 1.00 0.00 N ATOM 443 NH2 ARG A 33 4.438 -6.715 -7.364 1.00 0.00 N ATOM 0 H ARG A 33 -1.839 -7.174 -6.300 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.391 -8.875 -8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.836 -9.411 -5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.823 -10.520 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.405 -9.086 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.181 -7.642 -7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.212 -8.083 -5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.679 -9.651 -6.279 1.00 0.00 H new ATOM 0 HE ARG A 33 2.658 -8.204 -8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.562 -7.370 -4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.015 -6.369 -4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.524 -6.916 -8.360 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.121 -6.113 -6.905 1.00 0.00 H new ATOM 457 N ASP A 34 -3.276 -10.546 -5.537 1.00 0.00 N ATOM 458 CA ASP A 34 -4.193 -11.563 -5.035 1.00 0.00 C ATOM 459 C ASP A 34 -5.000 -11.032 -3.855 1.00 0.00 C ATOM 460 O ASP A 34 -5.665 -11.794 -3.153 1.00 0.00 O ATOM 461 CB ASP A 34 -3.420 -12.815 -4.619 1.00 0.00 C ATOM 462 CG ASP A 34 -2.263 -13.118 -5.551 1.00 0.00 C ATOM 463 OD1 ASP A 34 -2.483 -13.145 -6.779 1.00 0.00 O ATOM 464 OD2 ASP A 34 -1.138 -13.330 -5.051 1.00 0.00 O ATOM 0 H ASP A 34 -2.574 -10.241 -4.862 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.884 -11.822 -5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.041 -12.684 -3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.099 -13.667 -4.598 1.00 0.00 H new ATOM 469 N ARG A 35 -4.936 -9.722 -3.642 1.00 0.00 N ATOM 470 CA ARG A 35 -5.659 -9.090 -2.545 1.00 0.00 C ATOM 471 C ARG A 35 -6.483 -7.908 -3.047 1.00 0.00 C ATOM 472 O ARG A 35 -6.404 -7.535 -4.218 1.00 0.00 O ATOM 473 CB ARG A 35 -4.682 -8.622 -1.465 1.00 0.00 C ATOM 474 CG ARG A 35 -3.827 -9.740 -0.891 1.00 0.00 C ATOM 475 CD ARG A 35 -4.658 -10.710 -0.066 1.00 0.00 C ATOM 476 NE ARG A 35 -4.015 -12.015 0.057 1.00 0.00 N ATOM 477 CZ ARG A 35 -4.683 -13.149 0.238 1.00 0.00 C ATOM 478 NH1 ARG A 35 -6.006 -13.138 0.316 1.00 0.00 N ATOM 479 NH2 ARG A 35 -4.026 -14.298 0.340 1.00 0.00 N ATOM 0 H ARG A 35 -4.391 -9.078 -4.215 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.337 -9.828 -2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.030 -7.856 -1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.244 -8.154 -0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.337 -10.278 -1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.039 -9.314 -0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.823 -10.292 0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.638 -10.831 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.997 -12.058 0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.514 -12.257 0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.516 -14.010 0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.008 -14.310 0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.539 -15.168 0.479 1.00 0.00 H new ATOM 493 N HIS A 36 -7.275 -7.323 -2.153 1.00 0.00 N ATOM 494 CA HIS A 36 -8.114 -6.184 -2.506 1.00 0.00 C ATOM 495 C HIS A 36 -8.095 -5.133 -1.400 1.00 0.00 C ATOM 496 O HIS A 36 -7.885 -5.453 -0.230 1.00 0.00 O ATOM 497 CB HIS A 36 -9.550 -6.642 -2.765 1.00 0.00 C ATOM 498 CG HIS A 36 -9.709 -7.423 -4.034 1.00 0.00 C ATOM 499 ND1 HIS A 36 -9.419 -8.767 -4.131 1.00 0.00 N ATOM 500 CD2 HIS A 36 -10.132 -7.041 -5.261 1.00 0.00 C ATOM 501 CE1 HIS A 36 -9.656 -9.178 -5.364 1.00 0.00 C ATOM 502 NE2 HIS A 36 -10.090 -8.150 -6.070 1.00 0.00 N ATOM 0 H HIS A 36 -7.353 -7.619 -1.180 1.00 0.00 H new ATOM 0 HA HIS A 36 -7.714 -5.737 -3.416 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.885 -7.254 -1.927 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -10.201 -5.768 -2.802 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.445 -6.049 -5.550 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.518 -10.184 -5.732 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.351 -8.175 -7.056 1.00 0.00 H new ATOM 511 N ARG A 37 -8.316 -3.878 -1.778 1.00 0.00 N ATOM 512 CA ARG A 37 -8.322 -2.780 -0.819 1.00 0.00 C ATOM 513 C ARG A 37 -9.122 -1.596 -1.354 1.00 0.00 C ATOM 514 O ARG A 37 -9.581 -1.608 -2.496 1.00 0.00 O ATOM 515 CB ARG A 37 -6.891 -2.342 -0.504 1.00 0.00 C ATOM 516 CG ARG A 37 -6.360 -2.892 0.810 1.00 0.00 C ATOM 517 CD ARG A 37 -5.140 -2.120 1.285 1.00 0.00 C ATOM 518 NE ARG A 37 -4.160 -1.935 0.219 1.00 0.00 N ATOM 519 CZ ARG A 37 -3.438 -2.924 -0.297 1.00 0.00 C ATOM 520 NH1 ARG A 37 -3.587 -4.162 0.155 1.00 0.00 N ATOM 521 NH2 ARG A 37 -2.566 -2.676 -1.266 1.00 0.00 N ATOM 0 H ARG A 37 -8.493 -3.596 -2.742 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.796 -3.133 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.235 -2.663 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.852 -1.253 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.141 -2.842 1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.101 -3.944 0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.452 -1.147 1.664 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.676 -2.651 2.116 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.022 -0.994 -0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.257 -4.356 0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.032 -4.920 -0.242 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.449 -1.725 -1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.013 -3.436 -1.661 1.00 0.00 H new ATOM 535 N HIS A 38 -9.285 -0.574 -0.519 1.00 0.00 N ATOM 536 CA HIS A 38 -10.030 0.619 -0.908 1.00 0.00 C ATOM 537 C HIS A 38 -9.091 1.693 -1.449 1.00 0.00 C ATOM 538 O HIS A 38 -7.885 1.679 -1.202 1.00 0.00 O ATOM 539 CB HIS A 38 -10.816 1.166 0.284 1.00 0.00 C ATOM 540 CG HIS A 38 -12.116 0.461 0.518 1.00 0.00 C ATOM 541 ND1 HIS A 38 -12.352 -0.341 1.615 1.00 0.00 N ATOM 542 CD2 HIS A 38 -13.257 0.442 -0.211 1.00 0.00 C ATOM 543 CE1 HIS A 38 -13.580 -0.823 1.550 1.00 0.00 C ATOM 544 NE2 HIS A 38 -14.150 -0.363 0.451 1.00 0.00 N ATOM 0 H HIS A 38 -8.912 -0.548 0.430 1.00 0.00 H new ATOM 0 HA HIS A 38 -10.728 0.340 -1.697 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -10.202 1.086 1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -11.011 2.227 0.125 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.432 0.963 -1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.040 -1.481 2.272 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.100 -0.572 0.144 1.00 0.00 H new ATOM 552 N PRO A 39 -9.655 2.645 -2.206 1.00 0.00 N ATOM 553 CA PRO A 39 -8.887 3.744 -2.799 1.00 0.00 C ATOM 554 C PRO A 39 -8.389 4.734 -1.751 1.00 0.00 C ATOM 555 O PRO A 39 -7.682 5.688 -2.073 1.00 0.00 O ATOM 556 CB PRO A 39 -9.894 4.417 -3.735 1.00 0.00 C ATOM 557 CG PRO A 39 -11.227 4.089 -3.156 1.00 0.00 C ATOM 558 CD PRO A 39 -11.087 2.724 -2.542 1.00 0.00 C ATOM 0 HA PRO A 39 -7.989 3.388 -3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.735 5.495 -3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.801 4.040 -4.753 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.519 4.825 -2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.999 4.093 -3.926 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.714 2.616 -1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.380 1.938 -3.238 1.00 0.00 H new ATOM 566 N GLU A 40 -8.762 4.499 -0.497 1.00 0.00 N ATOM 567 CA GLU A 40 -8.353 5.372 0.597 1.00 0.00 C ATOM 568 C GLU A 40 -7.483 4.617 1.598 1.00 0.00 C ATOM 569 O GLU A 40 -6.580 5.190 2.209 1.00 0.00 O ATOM 570 CB GLU A 40 -9.580 5.950 1.305 1.00 0.00 C ATOM 571 CG GLU A 40 -10.367 4.919 2.097 1.00 0.00 C ATOM 572 CD GLU A 40 -11.238 5.547 3.168 1.00 0.00 C ATOM 573 OE1 GLU A 40 -12.106 6.373 2.816 1.00 0.00 O ATOM 574 OE2 GLU A 40 -11.052 5.213 4.356 1.00 0.00 O ATOM 0 H GLU A 40 -9.346 3.712 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.768 6.190 0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.260 6.746 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.237 6.405 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.994 4.344 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.674 4.218 2.562 1.00 0.00 H new ATOM 581 N CYS A 41 -7.762 3.328 1.762 1.00 0.00 N ATOM 582 CA CYS A 41 -7.007 2.494 2.689 1.00 0.00 C ATOM 583 C CYS A 41 -5.645 2.128 2.106 1.00 0.00 C ATOM 584 O CYS A 41 -4.706 1.822 2.841 1.00 0.00 O ATOM 585 CB CYS A 41 -7.792 1.223 3.018 1.00 0.00 C ATOM 586 SG CYS A 41 -9.485 1.528 3.617 1.00 0.00 S ATOM 0 H CYS A 41 -8.506 2.838 1.265 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.849 3.063 3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.841 0.598 2.126 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.247 0.658 3.774 1.00 0.00 H new ATOM 591 N TYR A 42 -5.547 2.161 0.782 1.00 0.00 N ATOM 592 CA TYR A 42 -4.301 1.831 0.100 1.00 0.00 C ATOM 593 C TYR A 42 -3.109 2.480 0.797 1.00 0.00 C ATOM 594 O TYR A 42 -1.970 2.039 0.644 1.00 0.00 O ATOM 595 CB TYR A 42 -4.359 2.283 -1.360 1.00 0.00 C ATOM 596 CG TYR A 42 -3.146 1.880 -2.168 1.00 0.00 C ATOM 597 CD1 TYR A 42 -2.489 0.681 -1.920 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.657 2.698 -3.179 1.00 0.00 C ATOM 599 CE1 TYR A 42 -1.380 0.308 -2.655 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.549 2.333 -3.920 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.915 1.137 -3.654 1.00 0.00 C ATOM 602 OH TYR A 42 0.190 0.771 -4.388 1.00 0.00 O ATOM 0 H TYR A 42 -6.315 2.413 0.160 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.174 0.749 0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.251 1.864 -1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.462 3.368 -1.392 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.852 0.029 -1.139 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.151 3.635 -3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.881 -0.627 -2.448 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.182 2.980 -4.703 1.00 0.00 H new ATOM 0 HH TYR A 42 0.449 -0.145 -4.155 1.00 0.00 H new ATOM 612 N VAL A 43 -3.381 3.530 1.565 1.00 0.00 N ATOM 613 CA VAL A 43 -2.333 4.240 2.289 1.00 0.00 C ATOM 614 C VAL A 43 -1.509 3.282 3.142 1.00 0.00 C ATOM 615 O VAL A 43 -2.017 2.269 3.624 1.00 0.00 O ATOM 616 CB VAL A 43 -2.921 5.340 3.193 1.00 0.00 C ATOM 617 CG1 VAL A 43 -3.780 6.297 2.380 1.00 0.00 C ATOM 618 CG2 VAL A 43 -3.724 4.723 4.328 1.00 0.00 C ATOM 0 H VAL A 43 -4.318 3.908 1.702 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.689 4.702 1.541 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.098 5.908 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.187 7.067 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.171 6.764 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.598 5.747 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.132 5.514 4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.540 4.130 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.076 4.082 4.926 1.00 0.00 H new ATOM 628 N CYS A 44 -0.234 3.610 3.326 1.00 0.00 N ATOM 629 CA CYS A 44 0.662 2.779 4.122 1.00 0.00 C ATOM 630 C CYS A 44 0.058 2.486 5.492 1.00 0.00 C ATOM 631 O CYS A 44 -0.802 3.223 5.976 1.00 0.00 O ATOM 632 CB CYS A 44 2.017 3.469 4.287 1.00 0.00 C ATOM 633 SG CYS A 44 3.214 2.526 5.287 1.00 0.00 S ATOM 0 H CYS A 44 0.202 4.445 2.935 1.00 0.00 H new ATOM 0 HA CYS A 44 0.804 1.834 3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.445 3.647 3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.862 4.444 4.749 1.00 0.00 H new ATOM 638 N THR A 45 0.514 1.403 6.114 1.00 0.00 N ATOM 639 CA THR A 45 0.019 1.011 7.428 1.00 0.00 C ATOM 640 C THR A 45 0.891 1.587 8.538 1.00 0.00 C ATOM 641 O THR A 45 0.399 1.919 9.617 1.00 0.00 O ATOM 642 CB THR A 45 -0.032 -0.522 7.574 1.00 0.00 C ATOM 643 OG1 THR A 45 -0.910 -1.079 6.590 1.00 0.00 O ATOM 644 CG2 THR A 45 -0.505 -0.917 8.965 1.00 0.00 C ATOM 0 H THR A 45 1.225 0.782 5.729 1.00 0.00 H new ATOM 0 HA THR A 45 -0.991 1.411 7.518 1.00 0.00 H new ATOM 0 HB THR A 45 0.974 -0.913 7.425 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.389 -1.366 5.811 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.533 -2.004 9.045 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.182 -0.516 9.710 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.503 -0.515 9.138 1.00 0.00 H new ATOM 652 N ASP A 46 2.186 1.703 8.267 1.00 0.00 N ATOM 653 CA ASP A 46 3.126 2.241 9.243 1.00 0.00 C ATOM 654 C ASP A 46 2.880 3.730 9.472 1.00 0.00 C ATOM 655 O ASP A 46 2.565 4.154 10.584 1.00 0.00 O ATOM 656 CB ASP A 46 4.565 2.016 8.776 1.00 0.00 C ATOM 657 CG ASP A 46 5.157 0.733 9.325 1.00 0.00 C ATOM 658 OD1 ASP A 46 4.378 -0.164 9.709 1.00 0.00 O ATOM 659 OD2 ASP A 46 6.400 0.625 9.369 1.00 0.00 O ATOM 0 H ASP A 46 2.609 1.432 7.379 1.00 0.00 H new ATOM 0 HA ASP A 46 2.972 1.716 10.186 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.590 1.988 7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.181 2.860 9.087 1.00 0.00 H new ATOM 664 N CYS A 47 3.025 4.518 8.412 1.00 0.00 N ATOM 665 CA CYS A 47 2.821 5.959 8.496 1.00 0.00 C ATOM 666 C CYS A 47 1.401 6.332 8.079 1.00 0.00 C ATOM 667 O CYS A 47 0.645 6.910 8.858 1.00 0.00 O ATOM 668 CB CYS A 47 3.833 6.691 7.612 1.00 0.00 C ATOM 669 SG CYS A 47 4.139 5.885 6.008 1.00 0.00 S ATOM 0 H CYS A 47 3.283 4.182 7.484 1.00 0.00 H new ATOM 0 HA CYS A 47 2.968 6.262 9.533 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.477 7.706 7.434 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.777 6.774 8.151 1.00 0.00 H new ATOM 674 N GLY A 48 1.046 5.995 6.842 1.00 0.00 N ATOM 675 CA GLY A 48 -0.282 6.302 6.342 1.00 0.00 C ATOM 676 C GLY A 48 -0.258 7.319 5.219 1.00 0.00 C ATOM 677 O GLY A 48 -0.939 8.343 5.283 1.00 0.00 O ATOM 0 H GLY A 48 1.654 5.515 6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.754 5.386 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.896 6.682 7.159 1.00 0.00 H new ATOM 681 N THR A 49 0.531 7.039 4.186 1.00 0.00 N ATOM 682 CA THR A 49 0.644 7.939 3.045 1.00 0.00 C ATOM 683 C THR A 49 0.077 7.299 1.782 1.00 0.00 C ATOM 684 O THR A 49 0.142 6.083 1.609 1.00 0.00 O ATOM 685 CB THR A 49 2.109 8.341 2.789 1.00 0.00 C ATOM 686 OG1 THR A 49 2.164 9.416 1.844 1.00 0.00 O ATOM 687 CG2 THR A 49 2.912 7.159 2.269 1.00 0.00 C ATOM 0 H THR A 49 1.101 6.196 4.116 1.00 0.00 H new ATOM 0 HA THR A 49 0.067 8.831 3.288 1.00 0.00 H new ATOM 0 HB THR A 49 2.544 8.666 3.734 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.098 9.667 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.943 7.468 2.096 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.893 6.354 3.004 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.477 6.807 1.334 1.00 0.00 H new ATOM 695 N ASN A 50 -0.477 8.127 0.903 1.00 0.00 N ATOM 696 CA ASN A 50 -1.056 7.641 -0.345 1.00 0.00 C ATOM 697 C ASN A 50 -0.002 6.938 -1.195 1.00 0.00 C ATOM 698 O ASN A 50 0.942 7.564 -1.677 1.00 0.00 O ATOM 699 CB ASN A 50 -1.671 8.801 -1.131 1.00 0.00 C ATOM 700 CG ASN A 50 -2.858 8.365 -1.969 1.00 0.00 C ATOM 701 OD1 ASN A 50 -2.844 8.484 -3.194 1.00 0.00 O ATOM 702 ND2 ASN A 50 -3.893 7.859 -1.310 1.00 0.00 N ATOM 0 H ASN A 50 -0.538 9.137 1.031 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.838 6.922 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.986 9.580 -0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.913 9.239 -1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.721 7.550 -1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.861 7.779 -0.294 1.00 0.00 H new ATOM 709 N LEU A 51 -0.171 5.632 -1.375 1.00 0.00 N ATOM 710 CA LEU A 51 0.765 4.842 -2.167 1.00 0.00 C ATOM 711 C LEU A 51 0.288 4.720 -3.611 1.00 0.00 C ATOM 712 O LEU A 51 0.787 3.892 -4.374 1.00 0.00 O ATOM 713 CB LEU A 51 0.934 3.450 -1.555 1.00 0.00 C ATOM 714 CG LEU A 51 1.297 3.410 -0.070 1.00 0.00 C ATOM 715 CD1 LEU A 51 1.196 1.990 0.466 1.00 0.00 C ATOM 716 CD2 LEU A 51 2.695 3.968 0.153 1.00 0.00 C ATOM 0 H LEU A 51 -0.947 5.098 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 51 1.728 5.353 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.005 2.897 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.708 2.921 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 51 0.588 4.033 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.458 1.981 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.176 1.626 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.881 1.344 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.936 3.932 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.418 3.372 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.734 5.001 -0.193 1.00 0.00 H new ATOM 728 N LYS A 52 -0.680 5.552 -3.981 1.00 0.00 N ATOM 729 CA LYS A 52 -1.223 5.541 -5.334 1.00 0.00 C ATOM 730 C LYS A 52 -0.112 5.376 -6.365 1.00 0.00 C ATOM 731 O LYS A 52 -0.112 4.424 -7.144 1.00 0.00 O ATOM 732 CB LYS A 52 -1.998 6.833 -5.605 1.00 0.00 C ATOM 733 CG LYS A 52 -2.767 6.818 -6.914 1.00 0.00 C ATOM 734 CD LYS A 52 -3.667 8.035 -7.047 1.00 0.00 C ATOM 735 CE LYS A 52 -2.892 9.250 -7.534 1.00 0.00 C ATOM 736 NZ LYS A 52 -2.761 9.267 -9.017 1.00 0.00 N ATOM 0 H LYS A 52 -1.105 6.243 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.902 4.693 -5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.695 7.007 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.300 7.670 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.066 6.790 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.369 5.911 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.477 7.816 -7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.126 8.257 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.396 10.158 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.900 9.253 -7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.227 10.110 -9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.258 8.413 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.707 9.290 -9.449 1.00 0.00 H new ATOM 750 N GLN A 53 0.835 6.309 -6.363 1.00 0.00 N ATOM 751 CA GLN A 53 1.953 6.266 -7.298 1.00 0.00 C ATOM 752 C GLN A 53 3.184 5.645 -6.646 1.00 0.00 C ATOM 753 O GLN A 53 3.743 4.672 -7.152 1.00 0.00 O ATOM 754 CB GLN A 53 2.281 7.673 -7.799 1.00 0.00 C ATOM 755 CG GLN A 53 1.111 8.365 -8.481 1.00 0.00 C ATOM 756 CD GLN A 53 0.900 7.888 -9.904 1.00 0.00 C ATOM 757 OE1 GLN A 53 0.541 6.733 -10.138 1.00 0.00 O ATOM 758 NE2 GLN A 53 1.123 8.777 -10.865 1.00 0.00 N ATOM 0 H GLN A 53 0.850 7.104 -5.724 1.00 0.00 H new ATOM 0 HA GLN A 53 1.662 5.646 -8.146 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.611 8.281 -6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.116 7.615 -8.498 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.203 8.188 -7.904 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.282 9.441 -8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.419 9.723 -10.626 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.998 8.514 -11.842 1.00 0.00 H new ATOM 767 N LYS A 54 3.602 6.214 -5.521 1.00 0.00 N ATOM 768 CA LYS A 54 4.766 5.717 -4.798 1.00 0.00 C ATOM 769 C LYS A 54 4.893 4.204 -4.945 1.00 0.00 C ATOM 770 O LYS A 54 5.835 3.707 -5.561 1.00 0.00 O ATOM 771 CB LYS A 54 4.671 6.090 -3.317 1.00 0.00 C ATOM 772 CG LYS A 54 4.790 7.582 -3.056 1.00 0.00 C ATOM 773 CD LYS A 54 5.112 7.869 -1.600 1.00 0.00 C ATOM 774 CE LYS A 54 5.723 9.251 -1.426 1.00 0.00 C ATOM 775 NZ LYS A 54 7.181 9.255 -1.730 1.00 0.00 N ATOM 0 H LYS A 54 3.151 7.021 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 54 5.654 6.182 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.719 5.736 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.457 5.570 -2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.569 8.002 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.857 8.075 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.203 7.794 -1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.803 7.115 -1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.214 9.958 -2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.564 9.592 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.560 10.215 -1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.671 8.599 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.331 8.954 -2.714 1.00 0.00 H new ATOM 789 N GLY A 55 3.937 3.477 -4.375 1.00 0.00 N ATOM 790 CA GLY A 55 3.960 2.028 -4.456 1.00 0.00 C ATOM 791 C GLY A 55 3.785 1.369 -3.102 1.00 0.00 C ATOM 792 O GLY A 55 3.894 2.025 -2.066 1.00 0.00 O ATOM 0 H GLY A 55 3.147 3.865 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.168 1.692 -5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.905 1.707 -4.894 1.00 0.00 H new ATOM 796 N HIS A 56 3.511 0.068 -3.109 1.00 0.00 N ATOM 797 CA HIS A 56 3.319 -0.680 -1.872 1.00 0.00 C ATOM 798 C HIS A 56 4.108 -1.985 -1.898 1.00 0.00 C ATOM 799 O HIS A 56 4.653 -2.372 -2.932 1.00 0.00 O ATOM 800 CB HIS A 56 1.834 -0.972 -1.653 1.00 0.00 C ATOM 801 CG HIS A 56 1.376 -2.249 -2.286 1.00 0.00 C ATOM 802 ND1 HIS A 56 1.133 -2.374 -3.638 1.00 0.00 N ATOM 803 CD2 HIS A 56 1.117 -3.463 -1.745 1.00 0.00 C ATOM 804 CE1 HIS A 56 0.743 -3.609 -3.901 1.00 0.00 C ATOM 805 NE2 HIS A 56 0.725 -4.290 -2.769 1.00 0.00 N ATOM 0 H HIS A 56 3.417 -0.490 -3.958 1.00 0.00 H new ATOM 0 HA HIS A 56 3.687 -0.070 -1.047 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.634 -1.015 -0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.247 -0.146 -2.054 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.203 -3.731 -0.702 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.483 -3.996 -4.875 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.463 -5.271 -2.671 1.00 0.00 H new ATOM 814 N PHE A 57 4.166 -2.659 -0.755 1.00 0.00 N ATOM 815 CA PHE A 57 4.890 -3.920 -0.646 1.00 0.00 C ATOM 816 C PHE A 57 4.126 -4.913 0.225 1.00 0.00 C ATOM 817 O PHE A 57 3.327 -4.522 1.076 1.00 0.00 O ATOM 818 CB PHE A 57 6.286 -3.683 -0.065 1.00 0.00 C ATOM 819 CG PHE A 57 7.320 -3.356 -1.104 1.00 0.00 C ATOM 820 CD1 PHE A 57 7.443 -2.066 -1.594 1.00 0.00 C ATOM 821 CD2 PHE A 57 8.168 -4.337 -1.589 1.00 0.00 C ATOM 822 CE1 PHE A 57 8.394 -1.762 -2.551 1.00 0.00 C ATOM 823 CE2 PHE A 57 9.121 -4.039 -2.545 1.00 0.00 C ATOM 824 CZ PHE A 57 9.234 -2.750 -3.026 1.00 0.00 C ATOM 0 H PHE A 57 3.720 -2.353 0.110 1.00 0.00 H new ATOM 0 HA PHE A 57 4.987 -4.341 -1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.237 -2.867 0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.600 -4.573 0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.789 -1.290 -1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.084 -5.347 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 57 8.480 -0.753 -2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.776 -4.814 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 57 9.978 -2.515 -3.773 1.00 0.00 H new ATOM 834 N PHE A 58 4.377 -6.199 0.006 1.00 0.00 N ATOM 835 CA PHE A 58 3.713 -7.249 0.769 1.00 0.00 C ATOM 836 C PHE A 58 4.599 -7.734 1.913 1.00 0.00 C ATOM 837 O PHE A 58 5.655 -8.325 1.689 1.00 0.00 O ATOM 838 CB PHE A 58 3.353 -8.423 -0.144 1.00 0.00 C ATOM 839 CG PHE A 58 2.011 -8.280 -0.804 1.00 0.00 C ATOM 840 CD1 PHE A 58 0.890 -7.949 -0.059 1.00 0.00 C ATOM 841 CD2 PHE A 58 1.871 -8.476 -2.168 1.00 0.00 C ATOM 842 CE1 PHE A 58 -0.346 -7.816 -0.663 1.00 0.00 C ATOM 843 CE2 PHE A 58 0.637 -8.344 -2.778 1.00 0.00 C ATOM 844 CZ PHE A 58 -0.473 -8.015 -2.024 1.00 0.00 C ATOM 0 H PHE A 58 5.036 -6.539 -0.694 1.00 0.00 H new ATOM 0 HA PHE A 58 2.799 -6.832 1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.119 -8.522 -0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.366 -9.344 0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.983 -7.793 1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.735 -8.735 -2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.212 -7.557 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.541 -8.498 -3.843 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.438 -7.914 -2.498 1.00 0.00 H new ATOM 854 N VAL A 59 4.161 -7.477 3.142 1.00 0.00 N ATOM 855 CA VAL A 59 4.912 -7.887 4.322 1.00 0.00 C ATOM 856 C VAL A 59 3.981 -8.387 5.421 1.00 0.00 C ATOM 857 O VAL A 59 3.137 -7.642 5.919 1.00 0.00 O ATOM 858 CB VAL A 59 5.765 -6.729 4.875 1.00 0.00 C ATOM 859 CG1 VAL A 59 6.564 -7.185 6.086 1.00 0.00 C ATOM 860 CG2 VAL A 59 6.684 -6.183 3.793 1.00 0.00 C ATOM 0 H VAL A 59 3.290 -6.987 3.346 1.00 0.00 H new ATOM 0 HA VAL A 59 5.571 -8.698 4.011 1.00 0.00 H new ATOM 0 HB VAL A 59 5.098 -5.927 5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.160 -6.354 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.882 -7.525 6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.224 -8.004 5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.280 -5.366 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.346 -6.976 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.086 -5.816 2.959 1.00 0.00 H new ATOM 870 N GLU A 60 4.140 -9.653 5.794 1.00 0.00 N ATOM 871 CA GLU A 60 3.312 -10.252 6.835 1.00 0.00 C ATOM 872 C GLU A 60 1.830 -10.083 6.515 1.00 0.00 C ATOM 873 O GLU A 60 1.021 -9.802 7.399 1.00 0.00 O ATOM 874 CB GLU A 60 3.627 -9.622 8.193 1.00 0.00 C ATOM 875 CG GLU A 60 5.050 -9.869 8.664 1.00 0.00 C ATOM 876 CD GLU A 60 5.344 -11.340 8.886 1.00 0.00 C ATOM 877 OE1 GLU A 60 5.765 -12.014 7.922 1.00 0.00 O ATOM 878 OE2 GLU A 60 5.154 -11.818 10.024 1.00 0.00 O ATOM 0 H GLU A 60 4.834 -10.283 5.392 1.00 0.00 H new ATOM 0 HA GLU A 60 3.538 -11.318 6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.454 -8.547 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.934 -10.016 8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.747 -9.470 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.221 -9.324 9.592 1.00 0.00 H new ATOM 885 N ASP A 61 1.482 -10.255 5.244 1.00 0.00 N ATOM 886 CA ASP A 61 0.097 -10.123 4.806 1.00 0.00 C ATOM 887 C ASP A 61 -0.400 -8.694 5.000 1.00 0.00 C ATOM 888 O ASP A 61 -1.580 -8.469 5.266 1.00 0.00 O ATOM 889 CB ASP A 61 -0.798 -11.096 5.574 1.00 0.00 C ATOM 890 CG ASP A 61 -2.174 -11.232 4.952 1.00 0.00 C ATOM 891 OD1 ASP A 61 -3.041 -10.378 5.235 1.00 0.00 O ATOM 892 OD2 ASP A 61 -2.384 -12.191 4.180 1.00 0.00 O ATOM 0 H ASP A 61 2.140 -10.486 4.499 1.00 0.00 H new ATOM 0 HA ASP A 61 0.053 -10.363 3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.320 -12.075 5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.900 -10.755 6.604 1.00 0.00 H new ATOM 897 N GLN A 62 0.509 -7.733 4.868 1.00 0.00 N ATOM 898 CA GLN A 62 0.162 -6.327 5.030 1.00 0.00 C ATOM 899 C GLN A 62 0.758 -5.486 3.906 1.00 0.00 C ATOM 900 O GLN A 62 1.467 -6.001 3.042 1.00 0.00 O ATOM 901 CB GLN A 62 0.654 -5.812 6.384 1.00 0.00 C ATOM 902 CG GLN A 62 -0.266 -6.167 7.541 1.00 0.00 C ATOM 903 CD GLN A 62 -1.295 -5.089 7.821 1.00 0.00 C ATOM 904 OE1 GLN A 62 -1.236 -4.409 8.846 1.00 0.00 O ATOM 905 NE2 GLN A 62 -2.245 -4.926 6.908 1.00 0.00 N ATOM 0 H GLN A 62 1.491 -7.903 4.649 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.924 -6.239 4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.645 -6.221 6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.760 -4.728 6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.778 -7.103 7.319 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.332 -6.335 8.437 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.256 -5.512 6.073 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.964 -4.215 7.041 1.00 0.00 H new ATOM 914 N ILE A 63 0.465 -4.190 3.925 1.00 0.00 N ATOM 915 CA ILE A 63 0.973 -3.278 2.907 1.00 0.00 C ATOM 916 C ILE A 63 1.699 -2.096 3.541 1.00 0.00 C ATOM 917 O ILE A 63 1.261 -1.558 4.558 1.00 0.00 O ATOM 918 CB ILE A 63 -0.161 -2.748 2.010 1.00 0.00 C ATOM 919 CG1 ILE A 63 -1.249 -2.089 2.861 1.00 0.00 C ATOM 920 CG2 ILE A 63 -0.746 -3.876 1.173 1.00 0.00 C ATOM 921 CD1 ILE A 63 -2.011 -1.004 2.133 1.00 0.00 C ATOM 0 H ILE A 63 -0.121 -3.748 4.633 1.00 0.00 H new ATOM 0 HA ILE A 63 1.674 -3.846 2.295 1.00 0.00 H new ATOM 0 HB ILE A 63 0.251 -1.997 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.951 -2.853 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.792 -1.664 3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.546 -3.485 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.034 -4.304 0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.145 -4.648 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.766 -0.582 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.320 -0.220 1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.497 -1.428 1.254 1.00 0.00 H new ATOM 933 N TYR A 64 2.810 -1.696 2.933 1.00 0.00 N ATOM 934 CA TYR A 64 3.598 -0.578 3.437 1.00 0.00 C ATOM 935 C TYR A 64 4.268 0.177 2.293 1.00 0.00 C ATOM 936 O TYR A 64 4.293 -0.291 1.155 1.00 0.00 O ATOM 937 CB TYR A 64 4.656 -1.076 4.423 1.00 0.00 C ATOM 938 CG TYR A 64 4.082 -1.847 5.590 1.00 0.00 C ATOM 939 CD1 TYR A 64 3.677 -1.194 6.748 1.00 0.00 C ATOM 940 CD2 TYR A 64 3.944 -3.229 5.535 1.00 0.00 C ATOM 941 CE1 TYR A 64 3.152 -1.894 7.816 1.00 0.00 C ATOM 942 CE2 TYR A 64 3.419 -3.937 6.599 1.00 0.00 C ATOM 943 CZ TYR A 64 3.025 -3.265 7.737 1.00 0.00 C ATOM 944 OH TYR A 64 2.502 -3.967 8.799 1.00 0.00 O ATOM 0 H TYR A 64 3.185 -2.130 2.090 1.00 0.00 H new ATOM 0 HA TYR A 64 2.923 0.105 3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.365 -1.712 3.892 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.217 -0.222 4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.775 -0.120 6.814 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.252 -3.758 4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.842 -1.371 8.709 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.318 -5.011 6.540 1.00 0.00 H new ATOM 0 HH TYR A 64 2.480 -4.922 8.581 1.00 0.00 H new ATOM 954 N CYS A 65 4.811 1.349 2.605 1.00 0.00 N ATOM 955 CA CYS A 65 5.482 2.171 1.605 1.00 0.00 C ATOM 956 C CYS A 65 6.910 1.686 1.371 1.00 0.00 C ATOM 957 O CYS A 65 7.614 1.323 2.313 1.00 0.00 O ATOM 958 CB CYS A 65 5.495 3.637 2.044 1.00 0.00 C ATOM 959 SG CYS A 65 6.285 3.921 3.661 1.00 0.00 S ATOM 0 H CYS A 65 4.799 1.751 3.542 1.00 0.00 H new ATOM 0 HA CYS A 65 4.929 2.084 0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.015 4.227 1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.469 4.003 2.084 1.00 0.00 H new ATOM 964 N GLU A 66 7.329 1.685 0.110 1.00 0.00 N ATOM 965 CA GLU A 66 8.673 1.244 -0.247 1.00 0.00 C ATOM 966 C GLU A 66 9.678 1.632 0.834 1.00 0.00 C ATOM 967 O GLU A 66 10.560 0.849 1.188 1.00 0.00 O ATOM 968 CB GLU A 66 9.092 1.848 -1.589 1.00 0.00 C ATOM 969 CG GLU A 66 10.551 1.604 -1.937 1.00 0.00 C ATOM 970 CD GLU A 66 10.842 1.813 -3.410 1.00 0.00 C ATOM 971 OE1 GLU A 66 10.673 2.953 -3.891 1.00 0.00 O ATOM 972 OE2 GLU A 66 11.239 0.838 -4.082 1.00 0.00 O ATOM 0 H GLU A 66 6.759 1.984 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 66 8.660 0.158 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.465 1.432 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.907 2.922 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.178 2.273 -1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.822 0.586 -1.658 1.00 0.00 H new ATOM 979 N LYS A 67 9.538 2.846 1.355 1.00 0.00 N ATOM 980 CA LYS A 67 10.432 3.340 2.396 1.00 0.00 C ATOM 981 C LYS A 67 10.421 2.413 3.607 1.00 0.00 C ATOM 982 O LYS A 67 11.449 1.843 3.974 1.00 0.00 O ATOM 983 CB LYS A 67 10.024 4.753 2.819 1.00 0.00 C ATOM 984 CG LYS A 67 10.898 5.336 3.915 1.00 0.00 C ATOM 985 CD LYS A 67 10.138 6.347 4.757 1.00 0.00 C ATOM 986 CE LYS A 67 9.957 7.664 4.018 1.00 0.00 C ATOM 987 NZ LYS A 67 11.245 8.394 3.862 1.00 0.00 N ATOM 0 H LYS A 67 8.814 3.507 1.073 1.00 0.00 H new ATOM 0 HA LYS A 67 11.443 3.366 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.061 5.409 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.989 4.736 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.266 4.533 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.770 5.815 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.162 5.941 5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.675 6.522 5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.527 7.473 3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.248 8.290 4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.054 9.388 3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.780 8.348 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.802 7.956 3.101 1.00 0.00 H new ATOM 1001 N HIS A 68 9.252 2.265 4.224 1.00 0.00 N ATOM 1002 CA HIS A 68 9.108 1.405 5.393 1.00 0.00 C ATOM 1003 C HIS A 68 9.368 -0.054 5.029 1.00 0.00 C ATOM 1004 O HIS A 68 10.217 -0.712 5.630 1.00 0.00 O ATOM 1005 CB HIS A 68 7.708 1.552 5.990 1.00 0.00 C ATOM 1006 CG HIS A 68 7.611 2.624 7.031 1.00 0.00 C ATOM 1007 ND1 HIS A 68 6.647 3.610 7.009 1.00 0.00 N ATOM 1008 CD2 HIS A 68 8.364 2.861 8.131 1.00 0.00 C ATOM 1009 CE1 HIS A 68 6.812 4.408 8.048 1.00 0.00 C ATOM 1010 NE2 HIS A 68 7.847 3.975 8.746 1.00 0.00 N ATOM 0 H HIS A 68 8.392 2.729 3.934 1.00 0.00 H new ATOM 0 HA HIS A 68 9.845 1.713 6.134 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.001 1.770 5.189 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.408 0.601 6.430 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.213 2.282 8.463 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.204 5.268 8.287 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.204 4.399 9.602 1.00 0.00 H new ATOM 1018 N ALA A 69 8.631 -0.553 4.042 1.00 0.00 N ATOM 1019 CA ALA A 69 8.783 -1.933 3.598 1.00 0.00 C ATOM 1020 C ALA A 69 10.231 -2.394 3.724 1.00 0.00 C ATOM 1021 O ALA A 69 10.531 -3.336 4.458 1.00 0.00 O ATOM 1022 CB ALA A 69 8.303 -2.081 2.162 1.00 0.00 C ATOM 0 H ALA A 69 7.923 -0.022 3.535 1.00 0.00 H new ATOM 0 HA ALA A 69 8.171 -2.565 4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.422 -3.117 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.251 -1.801 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.891 -1.432 1.513 1.00 0.00 H new ATOM 1028 N ARG A 70 11.125 -1.725 3.004 1.00 0.00 N ATOM 1029 CA ARG A 70 12.542 -2.067 3.034 1.00 0.00 C ATOM 1030 C ARG A 70 13.019 -2.280 4.468 1.00 0.00 C ATOM 1031 O ARG A 70 13.653 -3.289 4.778 1.00 0.00 O ATOM 1032 CB ARG A 70 13.369 -0.966 2.368 1.00 0.00 C ATOM 1033 CG ARG A 70 13.134 -0.849 0.871 1.00 0.00 C ATOM 1034 CD ARG A 70 13.630 0.484 0.332 1.00 0.00 C ATOM 1035 NE ARG A 70 15.058 0.672 0.568 1.00 0.00 N ATOM 1036 CZ ARG A 70 15.739 1.734 0.149 1.00 0.00 C ATOM 1037 NH1 ARG A 70 15.123 2.696 -0.524 1.00 0.00 N ATOM 1038 NH2 ARG A 70 17.037 1.834 0.402 1.00 0.00 N ATOM 0 H ARG A 70 10.893 -0.942 2.392 1.00 0.00 H new ATOM 0 HA ARG A 70 12.677 -2.997 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.135 -0.012 2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.427 -1.159 2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.644 -1.663 0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.070 -0.955 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.429 0.540 -0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.075 1.295 0.803 1.00 0.00 H new ATOM 0 HE ARG A 70 15.561 -0.051 1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.125 2.622 -0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.647 3.510 -0.845 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.514 1.095 0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.558 2.650 0.080 1.00 0.00 H new ATOM 1052 N GLU A 71 12.711 -1.323 5.337 1.00 0.00 N ATOM 1053 CA GLU A 71 13.110 -1.406 6.738 1.00 0.00 C ATOM 1054 C GLU A 71 12.582 -2.686 7.379 1.00 0.00 C ATOM 1055 O GLU A 71 13.279 -3.335 8.159 1.00 0.00 O ATOM 1056 CB GLU A 71 12.599 -0.188 7.509 1.00 0.00 C ATOM 1057 CG GLU A 71 13.151 1.132 6.999 1.00 0.00 C ATOM 1058 CD GLU A 71 14.495 1.478 7.609 1.00 0.00 C ATOM 1059 OE1 GLU A 71 15.501 0.847 7.223 1.00 0.00 O ATOM 1060 OE2 GLU A 71 14.541 2.378 8.473 1.00 0.00 O ATOM 0 H GLU A 71 12.187 -0.482 5.097 1.00 0.00 H new ATOM 0 HA GLU A 71 14.199 -1.422 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.511 -0.163 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.861 -0.299 8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.250 1.085 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.440 1.928 7.220 1.00 0.00 H new ATOM 1067 N ARG A 72 11.347 -3.043 7.043 1.00 0.00 N ATOM 1068 CA ARG A 72 10.724 -4.244 7.587 1.00 0.00 C ATOM 1069 C ARG A 72 11.445 -5.498 7.101 1.00 0.00 C ATOM 1070 O ARG A 72 11.805 -6.367 7.895 1.00 0.00 O ATOM 1071 CB ARG A 72 9.248 -4.305 7.189 1.00 0.00 C ATOM 1072 CG ARG A 72 8.359 -3.381 8.005 1.00 0.00 C ATOM 1073 CD ARG A 72 6.904 -3.819 7.952 1.00 0.00 C ATOM 1074 NE ARG A 72 6.103 -3.185 8.996 1.00 0.00 N ATOM 1075 CZ ARG A 72 6.050 -3.621 10.249 1.00 0.00 C ATOM 1076 NH1 ARG A 72 6.749 -4.688 10.613 1.00 0.00 N ATOM 1077 NH2 ARG A 72 5.298 -2.990 11.142 1.00 0.00 N ATOM 0 H ARG A 72 10.758 -2.518 6.397 1.00 0.00 H new ATOM 0 HA ARG A 72 10.798 -4.201 8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.154 -4.048 6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.892 -5.329 7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.699 -3.368 9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.448 -2.362 7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.487 -3.573 6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.847 -4.902 8.059 1.00 0.00 H new ATOM 0 HE ARG A 72 5.554 -2.362 8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.329 -5.175 9.930 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.707 -5.021 11.576 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.760 -2.169 10.866 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.258 -3.326 12.104 1.00 0.00 H new ATOM 1091 N VAL A 73 11.653 -5.584 5.791 1.00 0.00 N ATOM 1092 CA VAL A 73 12.331 -6.731 5.198 1.00 0.00 C ATOM 1093 C VAL A 73 13.565 -7.117 6.005 1.00 0.00 C ATOM 1094 O VAL A 73 13.669 -8.238 6.502 1.00 0.00 O ATOM 1095 CB VAL A 73 12.751 -6.445 3.744 1.00 0.00 C ATOM 1096 CG1 VAL A 73 13.503 -7.632 3.162 1.00 0.00 C ATOM 1097 CG2 VAL A 73 11.534 -6.106 2.896 1.00 0.00 C ATOM 0 H VAL A 73 11.362 -4.873 5.120 1.00 0.00 H new ATOM 0 HA VAL A 73 11.621 -7.558 5.207 1.00 0.00 H new ATOM 0 HB VAL A 73 13.420 -5.585 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 73 13.792 -7.411 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.396 -7.824 3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.861 -8.513 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.848 -5.907 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.839 -6.945 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.042 -5.223 3.303 1.00 0.00 H new ATOM 1107 N SER A 74 14.499 -6.180 6.132 1.00 0.00 N ATOM 1108 CA SER A 74 15.729 -6.423 6.876 1.00 0.00 C ATOM 1109 C SER A 74 15.433 -6.654 8.355 1.00 0.00 C ATOM 1110 O SER A 74 14.287 -6.560 8.792 1.00 0.00 O ATOM 1111 CB SER A 74 16.689 -5.242 6.716 1.00 0.00 C ATOM 1112 OG SER A 74 17.974 -5.556 7.224 1.00 0.00 O ATOM 0 H SER A 74 14.427 -5.246 5.729 1.00 0.00 H new ATOM 0 HA SER A 74 16.197 -7.321 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.767 -4.973 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.291 -4.372 7.239 1.00 0.00 H new ATOM 0 HG SER A 74 18.569 -4.786 7.108 1.00 0.00 H new ATOM 1118 N GLY A 75 16.477 -6.956 9.122 1.00 0.00 N ATOM 1119 CA GLY A 75 16.308 -7.196 10.543 1.00 0.00 C ATOM 1120 C GLY A 75 17.269 -6.381 11.386 1.00 0.00 C ATOM 1121 O GLY A 75 18.406 -6.120 10.993 1.00 0.00 O ATOM 0 H GLY A 75 17.436 -7.039 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.284 -6.956 10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.457 -8.256 10.750 1.00 0.00 H new ATOM 1125 N PRO A 76 16.810 -5.963 12.575 1.00 0.00 N ATOM 1126 CA PRO A 76 17.621 -5.165 13.500 1.00 0.00 C ATOM 1127 C PRO A 76 18.761 -5.970 14.114 1.00 0.00 C ATOM 1128 O PRO A 76 19.890 -5.490 14.213 1.00 0.00 O ATOM 1129 CB PRO A 76 16.619 -4.748 14.580 1.00 0.00 C ATOM 1130 CG PRO A 76 15.563 -5.798 14.543 1.00 0.00 C ATOM 1131 CD PRO A 76 15.465 -6.236 13.108 1.00 0.00 C ATOM 0 HA PRO A 76 18.104 -4.326 12.999 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.092 -4.697 15.561 1.00 0.00 H new ATOM 0 HB3 PRO A 76 16.204 -3.761 14.375 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.823 -6.636 15.190 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.610 -5.406 14.897 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.207 -7.292 13.027 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.699 -5.679 12.569 1.00 0.00 H new ATOM 1139 N SER A 77 18.459 -7.198 14.524 1.00 0.00 N ATOM 1140 CA SER A 77 19.459 -8.069 15.130 1.00 0.00 C ATOM 1141 C SER A 77 19.224 -9.524 14.735 1.00 0.00 C ATOM 1142 O SER A 77 18.087 -9.947 14.528 1.00 0.00 O ATOM 1143 CB SER A 77 19.428 -7.932 16.654 1.00 0.00 C ATOM 1144 OG SER A 77 18.221 -8.445 17.188 1.00 0.00 O ATOM 0 H SER A 77 17.530 -7.612 14.447 1.00 0.00 H new ATOM 0 HA SER A 77 20.440 -7.765 14.764 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.276 -8.463 17.087 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.534 -6.883 16.930 1.00 0.00 H new ATOM 0 HG SER A 77 18.227 -8.347 18.163 1.00 0.00 H new ATOM 1150 N SER A 78 20.309 -10.285 14.632 1.00 0.00 N ATOM 1151 CA SER A 78 20.223 -11.692 14.258 1.00 0.00 C ATOM 1152 C SER A 78 19.581 -12.512 15.372 1.00 0.00 C ATOM 1153 O SER A 78 19.420 -12.036 16.495 1.00 0.00 O ATOM 1154 CB SER A 78 21.614 -12.243 13.939 1.00 0.00 C ATOM 1155 OG SER A 78 21.534 -13.553 13.405 1.00 0.00 O ATOM 0 H SER A 78 21.258 -9.951 14.802 1.00 0.00 H new ATOM 0 HA SER A 78 19.598 -11.768 13.369 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.114 -11.587 13.227 1.00 0.00 H new ATOM 0 HB3 SER A 78 22.221 -12.252 14.844 1.00 0.00 H new ATOM 0 HG SER A 78 22.436 -13.882 13.208 1.00 0.00 H new ATOM 1161 N GLY A 79 19.217 -13.751 15.053 1.00 0.00 N ATOM 1162 CA GLY A 79 18.597 -14.619 16.037 1.00 0.00 C ATOM 1163 C GLY A 79 17.266 -15.171 15.566 1.00 0.00 C ATOM 1164 O GLY A 79 16.230 -14.764 16.091 1.00 0.00 O ATOM 0 H GLY A 79 19.341 -14.169 14.131 1.00 0.00 H new ATOM 0 HA2 GLY A 79 19.270 -15.446 16.263 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.450 -14.065 16.964 1.00 0.00 H new TER 1168 GLY A 79 HETATM 1169 ZN ZN A 201 -11.052 -0.232 3.243 1.00 0.00 ZN HETATM 1170 ZN ZN A 401 5.128 3.800 5.680 1.00 0.00 ZN