USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 653 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 Single : A 1 GLY N :NH3+ 146:sc= 0.00369 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 0.421 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.219 K(o=-0.22,f=-2!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0432) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 28 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-4.1) USER MOD Single : A 31 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.075) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= -0.101 (180deg=-0.447) USER MOD Single : A 43 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-3.3!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0408 X(o=-0.041,f=-0.19) USER MOD Single : A 47 ASN : amide:sc= -0.978 K(o=-0.98,f=-2.3) USER MOD Single : A 50 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=-0.0064) USER MOD Single : A 54 ASN : amide:sc=-0.000817 X(o=-0.00082,f=-0.28) USER MOD Single : A 55 THR OG1 : rot 85:sc= 0.856 USER MOD Single : A 57 SER OG : rot 83:sc= 0.257 USER MOD Single : A 58 SER OG : rot 180:sc= 0.00869 USER MOD Single : A 59 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.7) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -6.01! K(o=-6!,f=-4.7) USER MOD Single : A 78 THR OG1 : rot 86:sc= 0.339 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc=0.000656 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.556 32.192 47.718 1.00 0.00 N ATOM 2 CA GLY A 1 34.794 33.233 47.054 1.00 0.00 C ATOM 3 C GLY A 1 35.422 33.665 45.744 1.00 0.00 C ATOM 4 O GLY A 1 36.642 33.796 45.646 1.00 0.00 O ATOM 0 H1 GLY A 1 35.488 32.315 48.748 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.175 31.261 47.455 1.00 0.00 H new ATOM 0 H3 GLY A 1 36.553 32.252 47.427 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.782 32.875 46.867 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.710 34.096 47.715 1.00 0.00 H new ATOM 8 N SER A 2 34.586 33.886 44.734 1.00 0.00 N ATOM 9 CA SER A 2 35.067 34.300 43.421 1.00 0.00 C ATOM 10 C SER A 2 33.901 34.622 42.492 1.00 0.00 C ATOM 11 O SER A 2 33.044 33.776 42.236 1.00 0.00 O ATOM 12 CB SER A 2 35.938 33.204 42.804 1.00 0.00 C ATOM 13 OG SER A 2 35.903 33.262 41.389 1.00 0.00 O ATOM 0 H SER A 2 33.573 33.785 44.800 1.00 0.00 H new ATOM 0 HA SER A 2 35.667 35.201 43.549 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.966 33.314 43.150 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.591 32.227 43.140 1.00 0.00 H new ATOM 0 HG SER A 2 36.469 32.553 41.018 1.00 0.00 H new ATOM 19 N SER A 3 33.874 35.853 41.990 1.00 0.00 N ATOM 20 CA SER A 3 32.811 36.290 41.092 1.00 0.00 C ATOM 21 C SER A 3 33.210 37.567 40.360 1.00 0.00 C ATOM 22 O SER A 3 33.730 38.505 40.963 1.00 0.00 O ATOM 23 CB SER A 3 31.517 36.519 41.874 1.00 0.00 C ATOM 24 OG SER A 3 30.663 35.391 41.789 1.00 0.00 O ATOM 0 H SER A 3 34.576 36.565 42.190 1.00 0.00 H new ATOM 0 HA SER A 3 32.646 35.505 40.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.751 36.724 42.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.004 37.398 41.484 1.00 0.00 H new ATOM 0 HG SER A 3 31.189 34.573 41.906 1.00 0.00 H new ATOM 30 N GLY A 4 32.961 37.596 39.054 1.00 0.00 N ATOM 31 CA GLY A 4 33.300 38.762 38.260 1.00 0.00 C ATOM 32 C GLY A 4 33.799 38.396 36.876 1.00 0.00 C ATOM 33 O GLY A 4 35.001 38.437 36.611 1.00 0.00 O ATOM 0 H GLY A 4 32.531 36.833 38.532 1.00 0.00 H new ATOM 0 HA2 GLY A 4 32.423 39.403 38.169 1.00 0.00 H new ATOM 0 HA3 GLY A 4 34.065 39.340 38.778 1.00 0.00 H new ATOM 37 N SER A 5 32.876 38.034 35.992 1.00 0.00 N ATOM 38 CA SER A 5 33.229 37.653 34.629 1.00 0.00 C ATOM 39 C SER A 5 32.506 38.533 33.614 1.00 0.00 C ATOM 40 O SER A 5 31.383 38.977 33.850 1.00 0.00 O ATOM 41 CB SER A 5 32.886 36.183 34.382 1.00 0.00 C ATOM 42 OG SER A 5 31.540 35.908 34.732 1.00 0.00 O ATOM 0 H SER A 5 31.877 37.996 36.195 1.00 0.00 H new ATOM 0 HA SER A 5 34.303 37.794 34.506 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.049 35.940 33.332 1.00 0.00 H new ATOM 0 HB3 SER A 5 33.554 35.548 34.964 1.00 0.00 H new ATOM 0 HG SER A 5 31.345 34.963 34.563 1.00 0.00 H new ATOM 48 N SER A 6 33.160 38.781 32.483 1.00 0.00 N ATOM 49 CA SER A 6 32.583 39.611 31.433 1.00 0.00 C ATOM 50 C SER A 6 32.365 38.801 30.158 1.00 0.00 C ATOM 51 O SER A 6 33.185 37.958 29.798 1.00 0.00 O ATOM 52 CB SER A 6 33.491 40.807 31.142 1.00 0.00 C ATOM 53 OG SER A 6 34.755 40.650 31.761 1.00 0.00 O ATOM 0 H SER A 6 34.090 38.419 32.271 1.00 0.00 H new ATOM 0 HA SER A 6 31.616 39.974 31.782 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.621 40.915 30.065 1.00 0.00 H new ATOM 0 HB3 SER A 6 33.019 41.722 31.500 1.00 0.00 H new ATOM 0 HG SER A 6 35.317 41.427 31.558 1.00 0.00 H new ATOM 59 N GLY A 7 31.253 39.065 29.480 1.00 0.00 N ATOM 60 CA GLY A 7 30.946 38.353 28.253 1.00 0.00 C ATOM 61 C GLY A 7 30.122 39.184 27.290 1.00 0.00 C ATOM 62 O GLY A 7 29.120 39.785 27.680 1.00 0.00 O ATOM 0 H GLY A 7 30.559 39.759 29.758 1.00 0.00 H new ATOM 0 HA2 GLY A 7 31.875 38.055 27.767 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.405 37.438 28.493 1.00 0.00 H new ATOM 66 N ILE A 8 30.544 39.221 26.031 1.00 0.00 N ATOM 67 CA ILE A 8 29.837 39.985 25.011 1.00 0.00 C ATOM 68 C ILE A 8 29.250 39.068 23.944 1.00 0.00 C ATOM 69 O ILE A 8 29.961 38.595 23.056 1.00 0.00 O ATOM 70 CB ILE A 8 30.764 41.013 24.335 1.00 0.00 C ATOM 71 CG1 ILE A 8 31.353 41.965 25.378 1.00 0.00 C ATOM 72 CG2 ILE A 8 30.006 41.790 23.269 1.00 0.00 C ATOM 73 CD1 ILE A 8 32.529 42.768 24.868 1.00 0.00 C ATOM 0 H ILE A 8 31.372 38.731 25.693 1.00 0.00 H new ATOM 0 HA ILE A 8 29.029 40.513 25.517 1.00 0.00 H new ATOM 0 HB ILE A 8 31.584 40.479 23.854 1.00 0.00 H new ATOM 0 HG12 ILE A 8 30.574 42.650 25.714 1.00 0.00 H new ATOM 0 HG13 ILE A 8 31.667 41.388 26.248 1.00 0.00 H new ATOM 0 HG21 ILE A 8 30.675 42.512 22.801 1.00 0.00 H new ATOM 0 HG22 ILE A 8 29.631 41.100 22.513 1.00 0.00 H new ATOM 0 HG23 ILE A 8 29.169 42.315 23.728 1.00 0.00 H new ATOM 0 HD11 ILE A 8 32.895 43.421 25.661 1.00 0.00 H new ATOM 0 HD12 ILE A 8 33.325 42.091 24.559 1.00 0.00 H new ATOM 0 HD13 ILE A 8 32.215 43.372 24.017 1.00 0.00 H new ATOM 85 N LYS A 9 27.948 38.821 24.035 1.00 0.00 N ATOM 86 CA LYS A 9 27.262 37.963 23.076 1.00 0.00 C ATOM 87 C LYS A 9 25.825 38.425 22.863 1.00 0.00 C ATOM 88 O LYS A 9 25.352 39.340 23.536 1.00 0.00 O ATOM 89 CB LYS A 9 27.276 36.511 23.560 1.00 0.00 C ATOM 90 CG LYS A 9 26.452 36.280 24.814 1.00 0.00 C ATOM 91 CD LYS A 9 27.278 35.631 25.912 1.00 0.00 C ATOM 92 CE LYS A 9 27.490 34.148 25.648 1.00 0.00 C ATOM 93 NZ LYS A 9 28.399 33.530 26.652 1.00 0.00 N ATOM 0 H LYS A 9 27.346 39.203 24.764 1.00 0.00 H new ATOM 0 HA LYS A 9 27.790 38.028 22.125 1.00 0.00 H new ATOM 0 HB2 LYS A 9 26.899 35.868 22.764 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.306 36.211 23.752 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.055 37.231 25.170 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.597 35.646 24.577 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.244 36.130 25.985 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.778 35.763 26.871 1.00 0.00 H new ATOM 0 HE2 LYS A 9 26.528 33.635 25.665 1.00 0.00 H new ATOM 0 HE3 LYS A 9 27.906 34.013 24.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.518 32.519 26.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 29.325 34.002 26.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.990 33.636 27.602 1.00 0.00 H new ATOM 107 N GLU A 10 25.135 37.785 21.924 1.00 0.00 N ATOM 108 CA GLU A 10 23.751 38.132 21.623 1.00 0.00 C ATOM 109 C GLU A 10 22.903 36.876 21.440 1.00 0.00 C ATOM 110 O GLU A 10 22.079 36.798 20.529 1.00 0.00 O ATOM 111 CB GLU A 10 23.680 38.997 20.363 1.00 0.00 C ATOM 112 CG GLU A 10 24.389 38.387 19.166 1.00 0.00 C ATOM 113 CD GLU A 10 23.540 38.412 17.910 1.00 0.00 C ATOM 114 OE1 GLU A 10 22.795 39.396 17.718 1.00 0.00 O ATOM 115 OE2 GLU A 10 23.620 37.449 17.119 1.00 0.00 O ATOM 0 H GLU A 10 25.512 37.024 21.359 1.00 0.00 H new ATOM 0 HA GLU A 10 23.354 38.698 22.466 1.00 0.00 H new ATOM 0 HB2 GLU A 10 22.634 39.167 20.107 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.118 39.972 20.576 1.00 0.00 H new ATOM 0 HG2 GLU A 10 25.317 38.929 18.983 1.00 0.00 H new ATOM 0 HG3 GLU A 10 24.661 37.357 19.396 1.00 0.00 H new ATOM 122 N VAL A 11 23.112 35.895 22.313 1.00 0.00 N ATOM 123 CA VAL A 11 22.368 34.643 22.249 1.00 0.00 C ATOM 124 C VAL A 11 21.621 34.381 23.551 1.00 0.00 C ATOM 125 O VAL A 11 22.135 34.643 24.637 1.00 0.00 O ATOM 126 CB VAL A 11 23.298 33.452 21.954 1.00 0.00 C ATOM 127 CG1 VAL A 11 24.397 33.360 23.002 1.00 0.00 C ATOM 128 CG2 VAL A 11 22.501 32.157 21.890 1.00 0.00 C ATOM 0 H VAL A 11 23.791 35.944 23.073 1.00 0.00 H new ATOM 0 HA VAL A 11 21.649 34.743 21.435 1.00 0.00 H new ATOM 0 HB VAL A 11 23.767 33.612 20.983 1.00 0.00 H new ATOM 0 HG11 VAL A 11 25.044 32.512 22.777 1.00 0.00 H new ATOM 0 HG12 VAL A 11 24.985 34.278 22.994 1.00 0.00 H new ATOM 0 HG13 VAL A 11 23.950 33.224 23.987 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.174 31.326 21.681 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.003 31.989 22.845 1.00 0.00 H new ATOM 0 HG23 VAL A 11 21.755 32.228 21.099 1.00 0.00 H new ATOM 138 N ASN A 12 20.403 33.861 23.435 1.00 0.00 N ATOM 139 CA ASN A 12 19.584 33.562 24.604 1.00 0.00 C ATOM 140 C ASN A 12 18.727 32.323 24.366 1.00 0.00 C ATOM 141 O ASN A 12 18.764 31.372 25.146 1.00 0.00 O ATOM 142 CB ASN A 12 18.690 34.756 24.944 1.00 0.00 C ATOM 143 CG ASN A 12 19.354 35.718 25.911 1.00 0.00 C ATOM 144 OD1 ASN A 12 20.239 35.335 26.676 1.00 0.00 O ATOM 145 ND2 ASN A 12 18.927 36.975 25.881 1.00 0.00 N ATOM 0 H ASN A 12 19.962 33.638 22.543 1.00 0.00 H new ATOM 0 HA ASN A 12 20.251 33.364 25.443 1.00 0.00 H new ATOM 0 HB2 ASN A 12 18.432 35.286 24.027 1.00 0.00 H new ATOM 0 HB3 ASN A 12 17.757 34.396 25.377 1.00 0.00 H new ATOM 0 HD21 ASN A 12 19.335 37.667 26.509 1.00 0.00 H new ATOM 0 HD22 ASN A 12 18.191 37.248 25.230 1.00 0.00 H new ATOM 152 N GLN A 13 17.957 32.342 23.282 1.00 0.00 N ATOM 153 CA GLN A 13 17.091 31.219 22.942 1.00 0.00 C ATOM 154 C GLN A 13 17.083 30.975 21.436 1.00 0.00 C ATOM 155 O GLN A 13 17.683 31.730 20.672 1.00 0.00 O ATOM 156 CB GLN A 13 15.667 31.478 23.436 1.00 0.00 C ATOM 157 CG GLN A 13 15.394 30.919 24.823 1.00 0.00 C ATOM 158 CD GLN A 13 14.734 31.930 25.740 1.00 0.00 C ATOM 159 OE1 GLN A 13 15.386 32.843 26.248 1.00 0.00 O ATOM 160 NE2 GLN A 13 13.434 31.772 25.958 1.00 0.00 N ATOM 0 H GLN A 13 17.915 33.121 22.625 1.00 0.00 H new ATOM 0 HA GLN A 13 17.482 30.329 23.434 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.484 32.552 23.444 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.961 31.039 22.731 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.755 30.040 24.737 1.00 0.00 H new ATOM 0 HG3 GLN A 13 16.332 30.588 25.268 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.933 31.001 25.516 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.936 32.421 26.567 1.00 0.00 H new ATOM 169 N ALA A 14 16.399 29.916 21.017 1.00 0.00 N ATOM 170 CA ALA A 14 16.311 29.573 19.603 1.00 0.00 C ATOM 171 C ALA A 14 14.976 30.015 19.013 1.00 0.00 C ATOM 172 O ALA A 14 13.958 30.039 19.706 1.00 0.00 O ATOM 173 CB ALA A 14 16.508 28.077 19.409 1.00 0.00 C ATOM 0 H ALA A 14 15.897 29.280 21.637 1.00 0.00 H new ATOM 0 HA ALA A 14 17.104 30.103 19.076 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.440 27.836 18.348 1.00 0.00 H new ATOM 0 HB2 ALA A 14 17.489 27.788 19.785 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.736 27.535 19.955 1.00 0.00 H new ATOM 179 N LEU A 15 14.987 30.363 17.731 1.00 0.00 N ATOM 180 CA LEU A 15 13.777 30.805 17.048 1.00 0.00 C ATOM 181 C LEU A 15 13.192 29.682 16.196 1.00 0.00 C ATOM 182 O LEU A 15 13.909 29.019 15.447 1.00 0.00 O ATOM 183 CB LEU A 15 14.077 32.022 16.171 1.00 0.00 C ATOM 184 CG LEU A 15 12.911 32.553 15.338 1.00 0.00 C ATOM 185 CD1 LEU A 15 11.898 33.260 16.225 1.00 0.00 C ATOM 186 CD2 LEU A 15 13.415 33.490 14.250 1.00 0.00 C ATOM 0 H LEU A 15 15.821 30.348 17.144 1.00 0.00 H new ATOM 0 HA LEU A 15 13.043 31.083 17.805 1.00 0.00 H new ATOM 0 HB2 LEU A 15 14.435 32.827 16.812 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.893 31.765 15.495 1.00 0.00 H new ATOM 0 HG LEU A 15 12.417 31.707 14.861 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.075 33.631 15.614 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.512 32.560 16.966 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.379 34.096 16.732 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.571 33.858 13.667 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.935 34.332 14.707 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.101 32.952 13.595 1.00 0.00 H new ATOM 198 N LYS A 16 11.885 29.476 16.315 1.00 0.00 N ATOM 199 CA LYS A 16 11.201 28.437 15.554 1.00 0.00 C ATOM 200 C LYS A 16 9.855 28.936 15.039 1.00 0.00 C ATOM 201 O LYS A 16 8.806 28.410 15.405 1.00 0.00 O ATOM 202 CB LYS A 16 10.998 27.192 16.421 1.00 0.00 C ATOM 203 CG LYS A 16 12.295 26.517 16.829 1.00 0.00 C ATOM 204 CD LYS A 16 12.062 25.083 17.274 1.00 0.00 C ATOM 205 CE LYS A 16 11.762 24.174 16.091 1.00 0.00 C ATOM 206 NZ LYS A 16 12.896 23.256 15.796 1.00 0.00 N ATOM 0 H LYS A 16 11.277 30.015 16.932 1.00 0.00 H new ATOM 0 HA LYS A 16 11.824 28.179 14.698 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.445 27.471 17.318 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.382 26.477 15.876 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.992 26.530 15.991 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.760 27.079 17.639 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.943 24.717 17.801 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.232 25.050 17.979 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.866 23.589 16.300 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.548 24.781 15.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.653 22.653 14.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.745 23.814 15.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.084 22.659 16.626 1.00 0.00 H new ATOM 220 N GLY A 17 9.894 29.955 14.185 1.00 0.00 N ATOM 221 CA GLY A 17 8.671 30.507 13.632 1.00 0.00 C ATOM 222 C GLY A 17 8.209 29.766 12.392 1.00 0.00 C ATOM 223 O GLY A 17 8.299 30.287 11.280 1.00 0.00 O ATOM 0 H GLY A 17 10.751 30.408 13.867 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.886 30.471 14.387 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.829 31.557 13.386 1.00 0.00 H new ATOM 227 N HIS A 18 7.715 28.547 12.583 1.00 0.00 N ATOM 228 CA HIS A 18 7.239 27.733 11.470 1.00 0.00 C ATOM 229 C HIS A 18 5.763 27.386 11.644 1.00 0.00 C ATOM 230 O HIS A 18 5.281 27.227 12.764 1.00 0.00 O ATOM 231 CB HIS A 18 8.066 26.452 11.357 1.00 0.00 C ATOM 232 CG HIS A 18 9.279 26.598 10.491 1.00 0.00 C ATOM 233 ND1 HIS A 18 9.412 25.971 9.270 1.00 0.00 N ATOM 234 CD2 HIS A 18 10.418 27.305 10.675 1.00 0.00 C ATOM 235 CE1 HIS A 18 10.581 26.285 8.741 1.00 0.00 C ATOM 236 NE2 HIS A 18 11.211 27.094 9.574 1.00 0.00 N ATOM 0 H HIS A 18 7.634 28.101 13.497 1.00 0.00 H new ATOM 0 HA HIS A 18 7.353 28.312 10.553 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.377 26.141 12.354 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.437 25.657 10.956 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.659 27.921 11.529 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.958 25.939 7.790 1.00 0.00 H new ATOM 0 HE2 HIS A 18 12.136 27.496 9.424 1.00 0.00 H new ATOM 244 N ALA A 19 5.052 27.272 10.527 1.00 0.00 N ATOM 245 CA ALA A 19 3.632 26.943 10.556 1.00 0.00 C ATOM 246 C ALA A 19 3.186 26.320 9.237 1.00 0.00 C ATOM 247 O ALA A 19 2.309 26.850 8.555 1.00 0.00 O ATOM 248 CB ALA A 19 2.808 28.186 10.860 1.00 0.00 C ATOM 0 H ALA A 19 5.436 27.403 9.591 1.00 0.00 H new ATOM 0 HA ALA A 19 3.470 26.211 11.347 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.750 27.925 10.879 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.100 28.588 11.830 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.983 28.936 10.089 1.00 0.00 H new ATOM 254 N TRP A 20 3.795 25.194 8.885 1.00 0.00 N ATOM 255 CA TRP A 20 3.460 24.499 7.647 1.00 0.00 C ATOM 256 C TRP A 20 1.959 24.250 7.552 1.00 0.00 C ATOM 257 O TRP A 20 1.224 24.447 8.520 1.00 0.00 O ATOM 258 CB TRP A 20 4.216 23.172 7.563 1.00 0.00 C ATOM 259 CG TRP A 20 4.125 22.355 8.816 1.00 0.00 C ATOM 260 CD1 TRP A 20 2.991 22.050 9.514 1.00 0.00 C ATOM 261 CD2 TRP A 20 5.210 21.741 9.520 1.00 0.00 C ATOM 262 NE1 TRP A 20 3.307 21.283 10.610 1.00 0.00 N ATOM 263 CE2 TRP A 20 4.661 21.079 10.636 1.00 0.00 C ATOM 264 CE3 TRP A 20 6.591 21.685 9.315 1.00 0.00 C ATOM 265 CZ2 TRP A 20 5.447 20.372 11.542 1.00 0.00 C ATOM 266 CZ3 TRP A 20 7.369 20.983 10.215 1.00 0.00 C ATOM 267 CH2 TRP A 20 6.796 20.333 11.317 1.00 0.00 C ATOM 0 H TRP A 20 4.523 24.743 9.439 1.00 0.00 H new ATOM 0 HA TRP A 20 3.758 25.132 6.811 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.823 22.590 6.729 1.00 0.00 H new ATOM 0 HB3 TRP A 20 5.265 23.373 7.344 1.00 0.00 H new ATOM 0 HD1 TRP A 20 1.994 22.365 9.245 1.00 0.00 H new ATOM 0 HE1 TRP A 20 2.641 20.924 11.294 1.00 0.00 H new ATOM 0 HE3 TRP A 20 7.042 22.181 8.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 5.007 19.872 12.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 8.438 20.934 10.067 1.00 0.00 H new ATOM 0 HH2 TRP A 20 7.432 19.791 12.002 1.00 0.00 H new ATOM 278 N LEU A 21 1.509 23.816 6.379 1.00 0.00 N ATOM 279 CA LEU A 21 0.094 23.540 6.158 1.00 0.00 C ATOM 280 C LEU A 21 -0.132 22.061 5.860 1.00 0.00 C ATOM 281 O LEU A 21 0.293 21.553 4.822 1.00 0.00 O ATOM 282 CB LEU A 21 -0.437 24.391 5.003 1.00 0.00 C ATOM 283 CG LEU A 21 -0.617 25.881 5.295 1.00 0.00 C ATOM 284 CD1 LEU A 21 -0.405 26.701 4.032 1.00 0.00 C ATOM 285 CD2 LEU A 21 -1.995 26.147 5.881 1.00 0.00 C ATOM 0 H LEU A 21 2.103 23.648 5.567 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.448 23.795 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.244 24.286 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.398 23.984 4.690 1.00 0.00 H new ATOM 0 HG LEU A 21 0.131 26.181 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.537 27.759 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.604 26.534 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.130 26.399 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.105 27.213 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.759 25.831 5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.109 25.588 6.810 1.00 0.00 H new ATOM 297 N LYS A 22 -0.805 21.374 6.777 1.00 0.00 N ATOM 298 CA LYS A 22 -1.092 19.954 6.613 1.00 0.00 C ATOM 299 C LYS A 22 -2.285 19.537 7.468 1.00 0.00 C ATOM 300 O LYS A 22 -2.410 19.952 8.620 1.00 0.00 O ATOM 301 CB LYS A 22 0.134 19.119 6.988 1.00 0.00 C ATOM 302 CG LYS A 22 0.835 18.498 5.792 1.00 0.00 C ATOM 303 CD LYS A 22 2.257 18.084 6.132 1.00 0.00 C ATOM 304 CE LYS A 22 3.253 19.186 5.800 1.00 0.00 C ATOM 305 NZ LYS A 22 3.491 19.294 4.334 1.00 0.00 N ATOM 0 H LYS A 22 -1.162 21.778 7.643 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.339 19.777 5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.842 19.749 7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.171 18.327 7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.273 17.628 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.850 19.211 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.322 17.840 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.516 17.180 5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.881 20.138 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.197 18.988 6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.324 19.892 4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.656 18.346 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.659 19.719 3.878 1.00 0.00 H new ATOM 319 N ASP A 23 -3.157 18.715 6.896 1.00 0.00 N ATOM 320 CA ASP A 23 -4.339 18.240 7.607 1.00 0.00 C ATOM 321 C ASP A 23 -4.365 16.715 7.660 1.00 0.00 C ATOM 322 O ASP A 23 -5.420 16.097 7.519 1.00 0.00 O ATOM 323 CB ASP A 23 -5.609 18.761 6.934 1.00 0.00 C ATOM 324 CG ASP A 23 -5.751 20.265 7.050 1.00 0.00 C ATOM 325 OD1 ASP A 23 -6.319 20.731 8.059 1.00 0.00 O ATOM 326 OD2 ASP A 23 -5.294 20.977 6.131 1.00 0.00 O ATOM 0 H ASP A 23 -3.068 18.364 5.943 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.296 18.620 8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.600 18.480 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.478 18.281 7.384 1.00 0.00 H new ATOM 331 N ASP A 24 -3.197 16.116 7.864 1.00 0.00 N ATOM 332 CA ASP A 24 -3.085 14.663 7.936 1.00 0.00 C ATOM 333 C ASP A 24 -2.164 14.245 9.077 1.00 0.00 C ATOM 334 O ASP A 24 -2.539 13.435 9.924 1.00 0.00 O ATOM 335 CB ASP A 24 -2.563 14.105 6.611 1.00 0.00 C ATOM 336 CG ASP A 24 -3.666 13.510 5.758 1.00 0.00 C ATOM 337 OD1 ASP A 24 -4.156 12.413 6.100 1.00 0.00 O ATOM 338 OD2 ASP A 24 -4.042 14.143 4.749 1.00 0.00 O ATOM 0 H ASP A 24 -2.314 16.613 7.982 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.078 14.255 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.067 14.901 6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.812 13.341 6.813 1.00 0.00 H new ATOM 343 N GLU A 25 -0.957 14.802 9.092 1.00 0.00 N ATOM 344 CA GLU A 25 0.018 14.485 10.128 1.00 0.00 C ATOM 345 C GLU A 25 0.407 13.010 10.076 1.00 0.00 C ATOM 346 O GLU A 25 -0.348 12.142 10.513 1.00 0.00 O ATOM 347 CB GLU A 25 -0.544 14.826 11.510 1.00 0.00 C ATOM 348 CG GLU A 25 0.501 15.355 12.478 1.00 0.00 C ATOM 349 CD GLU A 25 0.415 14.701 13.844 1.00 0.00 C ATOM 350 OE1 GLU A 25 0.829 13.530 13.967 1.00 0.00 O ATOM 351 OE2 GLU A 25 -0.067 15.361 14.788 1.00 0.00 O ATOM 0 H GLU A 25 -0.631 15.475 8.398 1.00 0.00 H new ATOM 0 HA GLU A 25 0.910 15.085 9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.333 15.569 11.399 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.004 13.934 11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.494 15.188 12.061 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.378 16.433 12.587 1.00 0.00 H new ATOM 358 N ALA A 26 1.591 12.736 9.537 1.00 0.00 N ATOM 359 CA ALA A 26 2.082 11.367 9.429 1.00 0.00 C ATOM 360 C ALA A 26 3.601 11.338 9.299 1.00 0.00 C ATOM 361 O ALA A 26 4.157 11.767 8.288 1.00 0.00 O ATOM 362 CB ALA A 26 1.435 10.667 8.242 1.00 0.00 C ATOM 0 H ALA A 26 2.227 13.443 9.169 1.00 0.00 H new ATOM 0 HA ALA A 26 1.811 10.836 10.342 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.810 9.646 8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.353 10.648 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.677 11.205 7.326 1.00 0.00 H new ATOM 368 N THR A 27 4.268 10.828 10.330 1.00 0.00 N ATOM 369 CA THR A 27 5.723 10.745 10.332 1.00 0.00 C ATOM 370 C THR A 27 6.196 9.382 9.839 1.00 0.00 C ATOM 371 O THR A 27 7.168 9.284 9.089 1.00 0.00 O ATOM 372 CB THR A 27 6.298 10.997 11.738 1.00 0.00 C ATOM 373 OG1 THR A 27 5.481 10.357 12.724 1.00 0.00 O ATOM 374 CG2 THR A 27 6.380 12.488 12.030 1.00 0.00 C ATOM 0 H THR A 27 3.824 10.466 11.174 1.00 0.00 H new ATOM 0 HA THR A 27 6.085 11.519 9.655 1.00 0.00 H new ATOM 0 HB THR A 27 7.304 10.580 11.775 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.855 10.521 13.615 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.789 12.641 13.029 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.027 12.968 11.295 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.383 12.925 11.975 1.00 0.00 H new ATOM 382 N HIS A 28 5.502 8.331 10.264 1.00 0.00 N ATOM 383 CA HIS A 28 5.851 6.972 9.864 1.00 0.00 C ATOM 384 C HIS A 28 4.609 6.194 9.439 1.00 0.00 C ATOM 385 O HIS A 28 3.491 6.706 9.505 1.00 0.00 O ATOM 386 CB HIS A 28 6.555 6.245 11.011 1.00 0.00 C ATOM 387 CG HIS A 28 7.963 6.702 11.236 1.00 0.00 C ATOM 388 ND1 HIS A 28 8.296 8.015 11.497 1.00 0.00 N ATOM 389 CD2 HIS A 28 9.128 6.013 11.239 1.00 0.00 C ATOM 390 CE1 HIS A 28 9.604 8.113 11.649 1.00 0.00 C ATOM 391 NE2 HIS A 28 10.133 6.912 11.498 1.00 0.00 N ATOM 0 H HIS A 28 4.695 8.394 10.885 1.00 0.00 H new ATOM 0 HA HIS A 28 6.528 7.033 9.012 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.984 6.391 11.928 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.558 5.175 10.804 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.245 4.953 11.069 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.149 9.021 11.861 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.126 6.689 11.563 1.00 0.00 H new ATOM 399 N CYS A 29 4.813 4.956 9.003 1.00 0.00 N ATOM 400 CA CYS A 29 3.711 4.108 8.565 1.00 0.00 C ATOM 401 C CYS A 29 2.837 3.699 9.748 1.00 0.00 C ATOM 402 O CYS A 29 3.267 3.757 10.900 1.00 0.00 O ATOM 403 CB CYS A 29 4.248 2.862 7.858 1.00 0.00 C ATOM 404 SG CYS A 29 3.051 2.069 6.737 1.00 0.00 S ATOM 0 H CYS A 29 5.732 4.517 8.943 1.00 0.00 H new ATOM 0 HA CYS A 29 3.101 4.679 7.865 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.137 3.135 7.289 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.561 2.137 8.610 1.00 0.00 H new ATOM 409 N ARG A 30 1.609 3.284 9.453 1.00 0.00 N ATOM 410 CA ARG A 30 0.674 2.866 10.491 1.00 0.00 C ATOM 411 C ARG A 30 0.543 1.346 10.524 1.00 0.00 C ATOM 412 O ARG A 30 -0.480 0.812 10.951 1.00 0.00 O ATOM 413 CB ARG A 30 -0.697 3.502 10.259 1.00 0.00 C ATOM 414 CG ARG A 30 -1.224 4.271 11.460 1.00 0.00 C ATOM 415 CD ARG A 30 -0.418 5.536 11.708 1.00 0.00 C ATOM 416 NE ARG A 30 -0.521 5.988 13.093 1.00 0.00 N ATOM 417 CZ ARG A 30 -1.557 6.671 13.568 1.00 0.00 C ATOM 418 NH1 ARG A 30 -2.573 6.979 12.773 1.00 0.00 N ATOM 419 NH2 ARG A 30 -1.578 7.047 14.840 1.00 0.00 N ATOM 0 H ARG A 30 1.239 3.228 8.504 1.00 0.00 H new ATOM 0 HA ARG A 30 1.064 3.201 11.452 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.635 4.177 9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.411 2.721 9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.270 4.531 11.297 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.188 3.636 12.345 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.628 5.353 11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.768 6.325 11.042 1.00 0.00 H new ATOM 0 HE ARG A 30 0.244 5.767 13.730 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.560 6.691 11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.367 7.503 13.140 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.798 6.812 15.454 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.374 7.571 15.204 1.00 0.00 H new ATOM 433 N GLN A 31 1.585 0.657 10.070 1.00 0.00 N ATOM 434 CA GLN A 31 1.585 -0.800 10.046 1.00 0.00 C ATOM 435 C GLN A 31 2.995 -1.348 10.239 1.00 0.00 C ATOM 436 O GLN A 31 3.299 -1.965 11.261 1.00 0.00 O ATOM 437 CB GLN A 31 1.003 -1.310 8.727 1.00 0.00 C ATOM 438 CG GLN A 31 0.825 -2.819 8.683 1.00 0.00 C ATOM 439 CD GLN A 31 0.717 -3.353 7.268 1.00 0.00 C ATOM 440 OE1 GLN A 31 1.408 -4.303 6.896 1.00 0.00 O ATOM 441 NE2 GLN A 31 -0.152 -2.745 6.470 1.00 0.00 N ATOM 0 H GLN A 31 2.440 1.085 9.714 1.00 0.00 H new ATOM 0 HA GLN A 31 0.963 -1.151 10.869 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.037 -0.834 8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.657 -1.006 7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.668 -3.295 9.184 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.072 -3.092 9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.704 -1.962 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.268 -3.061 5.507 1.00 0.00 H new ATOM 450 N CYS A 32 3.853 -1.120 9.251 1.00 0.00 N ATOM 451 CA CYS A 32 5.232 -1.591 9.310 1.00 0.00 C ATOM 452 C CYS A 32 6.054 -0.747 10.280 1.00 0.00 C ATOM 453 O CYS A 32 7.048 -1.213 10.834 1.00 0.00 O ATOM 454 CB CYS A 32 5.866 -1.552 7.919 1.00 0.00 C ATOM 455 SG CYS A 32 6.190 0.129 7.295 1.00 0.00 S ATOM 0 H CYS A 32 3.618 -0.611 8.399 1.00 0.00 H new ATOM 0 HA CYS A 32 5.223 -2.620 9.669 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.805 -2.106 7.944 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.210 -2.068 7.218 1.00 0.00 H new ATOM 460 N GLU A 33 5.630 0.497 10.479 1.00 0.00 N ATOM 461 CA GLU A 33 6.327 1.406 11.381 1.00 0.00 C ATOM 462 C GLU A 33 7.741 1.689 10.882 1.00 0.00 C ATOM 463 O GLU A 33 8.718 1.496 11.607 1.00 0.00 O ATOM 464 CB GLU A 33 6.380 0.819 12.793 1.00 0.00 C ATOM 465 CG GLU A 33 6.579 1.862 13.879 1.00 0.00 C ATOM 466 CD GLU A 33 5.455 1.865 14.897 1.00 0.00 C ATOM 467 OE1 GLU A 33 4.295 1.620 14.503 1.00 0.00 O ATOM 468 OE2 GLU A 33 5.735 2.114 16.089 1.00 0.00 O ATOM 0 H GLU A 33 4.808 0.898 10.028 1.00 0.00 H new ATOM 0 HA GLU A 33 5.775 2.345 11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.454 0.277 12.987 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.191 0.093 12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.525 1.676 14.388 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.652 2.848 13.421 1.00 0.00 H new ATOM 475 N LYS A 34 7.844 2.146 9.639 1.00 0.00 N ATOM 476 CA LYS A 34 9.137 2.456 9.041 1.00 0.00 C ATOM 477 C LYS A 34 9.197 3.915 8.600 1.00 0.00 C ATOM 478 O LYS A 34 8.182 4.501 8.226 1.00 0.00 O ATOM 479 CB LYS A 34 9.402 1.539 7.845 1.00 0.00 C ATOM 480 CG LYS A 34 9.589 0.081 8.225 1.00 0.00 C ATOM 481 CD LYS A 34 11.019 -0.377 7.992 1.00 0.00 C ATOM 482 CE LYS A 34 11.220 -0.875 6.569 1.00 0.00 C ATOM 483 NZ LYS A 34 11.598 -2.315 6.534 1.00 0.00 N ATOM 0 H LYS A 34 7.046 2.310 9.025 1.00 0.00 H new ATOM 0 HA LYS A 34 9.907 2.291 9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.570 1.619 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.293 1.886 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.328 -0.059 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.908 -0.538 7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.703 0.448 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.267 -1.172 8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.303 -0.726 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.996 -0.284 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.726 -2.616 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.487 -2.453 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.846 -2.882 6.974 1.00 0.00 H new ATOM 497 N GLU A 35 10.393 4.494 8.647 1.00 0.00 N ATOM 498 CA GLU A 35 10.583 5.884 8.251 1.00 0.00 C ATOM 499 C GLU A 35 10.385 6.054 6.747 1.00 0.00 C ATOM 500 O GLU A 35 11.004 5.354 5.945 1.00 0.00 O ATOM 501 CB GLU A 35 11.980 6.365 8.650 1.00 0.00 C ATOM 502 CG GLU A 35 12.224 7.836 8.361 1.00 0.00 C ATOM 503 CD GLU A 35 13.041 8.516 9.442 1.00 0.00 C ATOM 504 OE1 GLU A 35 14.242 8.200 9.565 1.00 0.00 O ATOM 505 OE2 GLU A 35 12.478 9.364 10.166 1.00 0.00 O ATOM 0 H GLU A 35 11.243 4.022 8.955 1.00 0.00 H new ATOM 0 HA GLU A 35 9.837 6.487 8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.127 6.184 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.724 5.771 8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.740 7.934 7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.266 8.346 8.260 1.00 0.00 H new ATOM 512 N PHE A 36 9.518 6.989 6.373 1.00 0.00 N ATOM 513 CA PHE A 36 9.236 7.251 4.966 1.00 0.00 C ATOM 514 C PHE A 36 10.436 7.900 4.283 1.00 0.00 C ATOM 515 O PHE A 36 11.122 8.734 4.872 1.00 0.00 O ATOM 516 CB PHE A 36 8.007 8.152 4.830 1.00 0.00 C ATOM 517 CG PHE A 36 6.707 7.429 5.034 1.00 0.00 C ATOM 518 CD1 PHE A 36 6.267 6.493 4.112 1.00 0.00 C ATOM 519 CD2 PHE A 36 5.925 7.685 6.149 1.00 0.00 C ATOM 520 CE1 PHE A 36 5.070 5.826 4.298 1.00 0.00 C ATOM 521 CE2 PHE A 36 4.727 7.021 6.340 1.00 0.00 C ATOM 522 CZ PHE A 36 4.300 6.090 5.414 1.00 0.00 C ATOM 0 H PHE A 36 8.999 7.578 7.024 1.00 0.00 H new ATOM 0 HA PHE A 36 9.034 6.298 4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.080 8.963 5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 36 8.008 8.608 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.866 6.282 3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.255 8.411 6.877 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.738 5.099 3.571 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.126 7.230 7.213 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.366 5.569 5.562 1.00 0.00 H new ATOM 532 N SER A 37 10.682 7.509 3.036 1.00 0.00 N ATOM 533 CA SER A 37 11.801 8.049 2.273 1.00 0.00 C ATOM 534 C SER A 37 11.326 8.612 0.937 1.00 0.00 C ATOM 535 O SER A 37 10.134 8.585 0.628 1.00 0.00 O ATOM 536 CB SER A 37 12.855 6.965 2.037 1.00 0.00 C ATOM 537 OG SER A 37 14.009 7.196 2.826 1.00 0.00 O ATOM 0 H SER A 37 10.122 6.821 2.533 1.00 0.00 H new ATOM 0 HA SER A 37 12.246 8.859 2.851 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.436 5.988 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.130 6.944 0.982 1.00 0.00 H new ATOM 0 HG SER A 37 14.667 6.489 2.659 1.00 0.00 H new ATOM 543 N ILE A 38 12.267 9.121 0.149 1.00 0.00 N ATOM 544 CA ILE A 38 11.945 9.690 -1.154 1.00 0.00 C ATOM 545 C ILE A 38 11.493 8.608 -2.129 1.00 0.00 C ATOM 546 O ILE A 38 10.517 8.784 -2.859 1.00 0.00 O ATOM 547 CB ILE A 38 13.151 10.435 -1.756 1.00 0.00 C ATOM 548 CG1 ILE A 38 13.618 11.543 -0.809 1.00 0.00 C ATOM 549 CG2 ILE A 38 12.792 11.012 -3.117 1.00 0.00 C ATOM 550 CD1 ILE A 38 14.961 11.265 -0.170 1.00 0.00 C ATOM 0 H ILE A 38 13.258 9.151 0.390 1.00 0.00 H new ATOM 0 HA ILE A 38 11.131 10.398 -0.997 1.00 0.00 H new ATOM 0 HB ILE A 38 13.968 9.726 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.674 12.481 -1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.873 11.678 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.655 11.535 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.502 10.205 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.962 11.710 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.229 12.092 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.904 10.343 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 38 15.719 11.159 -0.947 1.00 0.00 H new ATOM 562 N SER A 39 12.208 7.488 -2.135 1.00 0.00 N ATOM 563 CA SER A 39 11.881 6.377 -3.022 1.00 0.00 C ATOM 564 C SER A 39 10.494 5.823 -2.710 1.00 0.00 C ATOM 565 O SER A 39 9.827 5.263 -3.580 1.00 0.00 O ATOM 566 CB SER A 39 12.927 5.268 -2.892 1.00 0.00 C ATOM 567 OG SER A 39 12.331 3.988 -3.014 1.00 0.00 O ATOM 0 H SER A 39 13.017 7.325 -1.536 1.00 0.00 H new ATOM 0 HA SER A 39 11.882 6.749 -4.046 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.690 5.392 -3.660 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.429 5.348 -1.928 1.00 0.00 H new ATOM 0 HG SER A 39 13.020 3.297 -2.929 1.00 0.00 H new ATOM 573 N ARG A 40 10.067 5.983 -1.462 1.00 0.00 N ATOM 574 CA ARG A 40 8.761 5.498 -1.033 1.00 0.00 C ATOM 575 C ARG A 40 7.839 6.660 -0.678 1.00 0.00 C ATOM 576 O ARG A 40 7.874 7.174 0.441 1.00 0.00 O ATOM 577 CB ARG A 40 8.909 4.564 0.170 1.00 0.00 C ATOM 578 CG ARG A 40 8.374 3.163 -0.077 1.00 0.00 C ATOM 579 CD ARG A 40 9.231 2.409 -1.082 1.00 0.00 C ATOM 580 NE ARG A 40 9.224 0.969 -0.835 1.00 0.00 N ATOM 581 CZ ARG A 40 9.948 0.383 0.112 1.00 0.00 C ATOM 582 NH1 ARG A 40 10.732 1.109 0.897 1.00 0.00 N ATOM 583 NH2 ARG A 40 9.888 -0.933 0.275 1.00 0.00 N ATOM 0 H ARG A 40 10.607 6.445 -0.730 1.00 0.00 H new ATOM 0 HA ARG A 40 8.318 4.945 -1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.963 4.499 0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.387 4.998 1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.345 2.612 0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.349 3.223 -0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.866 2.606 -2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.255 2.780 -1.036 1.00 0.00 H new ATOM 0 HE ARG A 40 8.631 0.382 -1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.780 2.120 0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.287 0.656 1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.286 -1.495 -0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.444 -1.383 1.002 1.00 0.00 H new ATOM 597 N ARG A 41 7.016 7.071 -1.637 1.00 0.00 N ATOM 598 CA ARG A 41 6.086 8.174 -1.426 1.00 0.00 C ATOM 599 C ARG A 41 4.938 7.750 -0.514 1.00 0.00 C ATOM 600 O ARG A 41 4.827 6.583 -0.138 1.00 0.00 O ATOM 601 CB ARG A 41 5.533 8.666 -2.765 1.00 0.00 C ATOM 602 CG ARG A 41 6.609 8.965 -3.795 1.00 0.00 C ATOM 603 CD ARG A 41 6.593 10.429 -4.208 1.00 0.00 C ATOM 604 NE ARG A 41 5.291 10.836 -4.728 1.00 0.00 N ATOM 605 CZ ARG A 41 4.906 12.103 -4.834 1.00 0.00 C ATOM 606 NH1 ARG A 41 5.719 13.081 -4.458 1.00 0.00 N ATOM 607 NH2 ARG A 41 3.705 12.395 -5.317 1.00 0.00 N ATOM 0 H ARG A 41 6.974 6.657 -2.568 1.00 0.00 H new ATOM 0 HA ARG A 41 6.629 8.987 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.856 7.913 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.943 9.567 -2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.587 8.712 -3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.459 8.336 -4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.851 11.050 -3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.356 10.600 -4.967 1.00 0.00 H new ATOM 0 HE ARG A 41 4.642 10.108 -5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.643 12.861 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.420 14.053 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.076 11.646 -5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.411 13.368 -5.398 1.00 0.00 H new ATOM 621 N LYS A 42 4.085 8.706 -0.162 1.00 0.00 N ATOM 622 CA LYS A 42 2.945 8.434 0.705 1.00 0.00 C ATOM 623 C LYS A 42 1.750 7.942 -0.106 1.00 0.00 C ATOM 624 O LYS A 42 1.421 8.508 -1.149 1.00 0.00 O ATOM 625 CB LYS A 42 2.561 9.692 1.488 1.00 0.00 C ATOM 626 CG LYS A 42 3.628 10.148 2.467 1.00 0.00 C ATOM 627 CD LYS A 42 3.021 10.585 3.790 1.00 0.00 C ATOM 628 CE LYS A 42 3.750 11.788 4.368 1.00 0.00 C ATOM 629 NZ LYS A 42 3.592 12.996 3.512 1.00 0.00 N ATOM 0 H LYS A 42 4.162 9.677 -0.464 1.00 0.00 H new ATOM 0 HA LYS A 42 3.233 7.651 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.356 10.499 0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.637 9.502 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.335 9.336 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.191 10.974 2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.969 10.831 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.060 9.759 4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.368 11.998 5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.809 11.554 4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.678 13.851 4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.331 13.002 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.656 12.980 3.058 1.00 0.00 H new ATOM 643 N HIS A 43 1.104 6.888 0.381 1.00 0.00 N ATOM 644 CA HIS A 43 -0.056 6.322 -0.299 1.00 0.00 C ATOM 645 C HIS A 43 -1.309 6.459 0.560 1.00 0.00 C ATOM 646 O HIS A 43 -1.399 5.881 1.644 1.00 0.00 O ATOM 647 CB HIS A 43 0.189 4.849 -0.631 1.00 0.00 C ATOM 648 CG HIS A 43 1.527 4.591 -1.253 1.00 0.00 C ATOM 649 ND1 HIS A 43 1.693 4.313 -2.593 1.00 0.00 N ATOM 650 CD2 HIS A 43 2.767 4.570 -0.709 1.00 0.00 C ATOM 651 CE1 HIS A 43 2.976 4.131 -2.847 1.00 0.00 C ATOM 652 NE2 HIS A 43 3.650 4.282 -1.721 1.00 0.00 N ATOM 0 H HIS A 43 1.363 6.409 1.243 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.209 6.875 -1.226 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.102 4.260 0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.591 4.503 -1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.015 4.747 0.327 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.402 3.898 -3.812 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.661 4.198 -1.620 1.00 0.00 H new ATOM 660 N HIS A 44 -2.275 7.230 0.070 1.00 0.00 N ATOM 661 CA HIS A 44 -3.524 7.444 0.793 1.00 0.00 C ATOM 662 C HIS A 44 -4.527 6.336 0.485 1.00 0.00 C ATOM 663 O HIS A 44 -4.535 5.780 -0.613 1.00 0.00 O ATOM 664 CB HIS A 44 -4.121 8.804 0.431 1.00 0.00 C ATOM 665 CG HIS A 44 -3.405 9.959 1.060 1.00 0.00 C ATOM 666 ND1 HIS A 44 -4.049 11.101 1.489 1.00 0.00 N ATOM 667 CD2 HIS A 44 -2.092 10.145 1.333 1.00 0.00 C ATOM 668 CE1 HIS A 44 -3.164 11.939 1.997 1.00 0.00 C ATOM 669 NE2 HIS A 44 -1.969 11.382 1.915 1.00 0.00 N ATOM 0 H HIS A 44 -2.217 7.717 -0.824 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.305 7.425 1.861 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.103 8.923 -0.652 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.167 8.825 0.737 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.291 9.450 1.131 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.380 12.914 2.409 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.096 11.803 2.233 1.00 0.00 H new ATOM 677 N CYS A 45 -5.370 6.020 1.462 1.00 0.00 N ATOM 678 CA CYS A 45 -6.377 4.979 1.297 1.00 0.00 C ATOM 679 C CYS A 45 -7.737 5.585 0.965 1.00 0.00 C ATOM 680 O CYS A 45 -8.085 6.660 1.453 1.00 0.00 O ATOM 681 CB CYS A 45 -6.480 4.133 2.568 1.00 0.00 C ATOM 682 SG CYS A 45 -7.343 2.546 2.338 1.00 0.00 S ATOM 0 H CYS A 45 -5.376 6.470 2.377 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.071 4.341 0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.476 3.937 2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.000 4.709 3.334 1.00 0.00 H new ATOM 687 N ARG A 46 -8.502 4.887 0.132 1.00 0.00 N ATOM 688 CA ARG A 46 -9.824 5.356 -0.267 1.00 0.00 C ATOM 689 C ARG A 46 -10.915 4.652 0.535 1.00 0.00 C ATOM 690 O ARG A 46 -12.078 4.631 0.133 1.00 0.00 O ATOM 691 CB ARG A 46 -10.042 5.120 -1.763 1.00 0.00 C ATOM 692 CG ARG A 46 -9.345 6.140 -2.648 1.00 0.00 C ATOM 693 CD ARG A 46 -8.028 5.602 -3.186 1.00 0.00 C ATOM 694 NE ARG A 46 -7.480 6.450 -4.241 1.00 0.00 N ATOM 695 CZ ARG A 46 -6.960 7.652 -4.021 1.00 0.00 C ATOM 696 NH1 ARG A 46 -6.916 8.145 -2.791 1.00 0.00 N ATOM 697 NH2 ARG A 46 -6.481 8.364 -5.034 1.00 0.00 N ATOM 0 H ARG A 46 -8.229 3.995 -0.280 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.880 6.425 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.684 4.123 -2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.111 5.139 -1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.997 6.408 -3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.162 7.052 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.308 5.526 -2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.179 4.594 -3.573 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.498 6.100 -5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.282 7.601 -2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.516 9.069 -2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.512 7.988 -5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.082 9.287 -4.865 1.00 0.00 H new ATOM 711 N ASN A 47 -10.530 4.076 1.669 1.00 0.00 N ATOM 712 CA ASN A 47 -11.476 3.370 2.527 1.00 0.00 C ATOM 713 C ASN A 47 -11.364 3.850 3.970 1.00 0.00 C ATOM 714 O ASN A 47 -12.239 4.558 4.470 1.00 0.00 O ATOM 715 CB ASN A 47 -11.229 1.862 2.459 1.00 0.00 C ATOM 716 CG ASN A 47 -12.221 1.076 3.295 1.00 0.00 C ATOM 717 OD1 ASN A 47 -13.179 1.634 3.829 1.00 0.00 O ATOM 718 ND2 ASN A 47 -11.995 -0.228 3.411 1.00 0.00 N ATOM 0 H ASN A 47 -9.571 4.084 2.015 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.483 3.584 2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.291 1.533 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.217 1.646 2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.629 -0.809 3.960 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.188 -0.649 2.951 1.00 0.00 H new ATOM 725 N CYS A 48 -10.281 3.462 4.635 1.00 0.00 N ATOM 726 CA CYS A 48 -10.053 3.852 6.021 1.00 0.00 C ATOM 727 C CYS A 48 -9.558 5.293 6.107 1.00 0.00 C ATOM 728 O CYS A 48 -9.760 5.972 7.112 1.00 0.00 O ATOM 729 CB CYS A 48 -9.040 2.913 6.677 1.00 0.00 C ATOM 730 SG CYS A 48 -7.371 2.996 5.951 1.00 0.00 S ATOM 0 H CYS A 48 -9.547 2.877 4.236 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.002 3.780 6.553 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.975 3.151 7.739 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.407 1.890 6.601 1.00 0.00 H new ATOM 735 N GLY A 49 -8.907 5.753 5.042 1.00 0.00 N ATOM 736 CA GLY A 49 -8.393 7.110 5.017 1.00 0.00 C ATOM 737 C GLY A 49 -7.202 7.296 5.935 1.00 0.00 C ATOM 738 O GLY A 49 -7.240 8.114 6.856 1.00 0.00 O ATOM 0 H GLY A 49 -8.727 5.210 4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.106 7.368 3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.184 7.800 5.309 1.00 0.00 H new ATOM 742 N HIS A 50 -6.141 6.535 5.688 1.00 0.00 N ATOM 743 CA HIS A 50 -4.933 6.619 6.501 1.00 0.00 C ATOM 744 C HIS A 50 -3.689 6.688 5.621 1.00 0.00 C ATOM 745 O HIS A 50 -3.784 6.681 4.394 1.00 0.00 O ATOM 746 CB HIS A 50 -4.841 5.417 7.441 1.00 0.00 C ATOM 747 CG HIS A 50 -5.649 5.572 8.693 1.00 0.00 C ATOM 748 ND1 HIS A 50 -5.084 5.777 9.933 1.00 0.00 N ATOM 749 CD2 HIS A 50 -6.988 5.552 8.890 1.00 0.00 C ATOM 750 CE1 HIS A 50 -6.039 5.875 10.840 1.00 0.00 C ATOM 751 NE2 HIS A 50 -7.205 5.742 10.233 1.00 0.00 N ATOM 0 H HIS A 50 -6.093 5.853 4.931 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.987 7.532 7.095 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.175 4.525 6.911 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.797 5.256 7.710 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -7.745 5.413 8.132 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -5.892 6.036 11.898 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.118 5.775 10.688 1.00 0.00 H new ATOM 759 N ILE A 51 -2.524 6.755 6.256 1.00 0.00 N ATOM 760 CA ILE A 51 -1.262 6.824 5.531 1.00 0.00 C ATOM 761 C ILE A 51 -0.528 5.488 5.574 1.00 0.00 C ATOM 762 O ILE A 51 -0.476 4.829 6.612 1.00 0.00 O ATOM 763 CB ILE A 51 -0.343 7.920 6.103 1.00 0.00 C ATOM 764 CG1 ILE A 51 -1.056 9.274 6.086 1.00 0.00 C ATOM 765 CG2 ILE A 51 0.955 7.989 5.312 1.00 0.00 C ATOM 766 CD1 ILE A 51 -1.444 9.736 4.699 1.00 0.00 C ATOM 0 H ILE A 51 -2.428 6.763 7.271 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.506 7.068 4.497 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.103 7.670 7.136 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.952 9.211 6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.408 10.023 6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.594 8.768 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.468 7.029 5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.734 8.219 4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.945 10.702 4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.549 9.832 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.118 9.008 4.248 1.00 0.00 H new ATOM 778 N PHE A 52 0.039 5.094 4.438 1.00 0.00 N ATOM 779 CA PHE A 52 0.771 3.836 4.346 1.00 0.00 C ATOM 780 C PHE A 52 1.834 3.904 3.253 1.00 0.00 C ATOM 781 O PHE A 52 1.798 4.782 2.390 1.00 0.00 O ATOM 782 CB PHE A 52 -0.191 2.681 4.066 1.00 0.00 C ATOM 783 CG PHE A 52 -1.097 2.362 5.221 1.00 0.00 C ATOM 784 CD1 PHE A 52 -0.631 1.632 6.303 1.00 0.00 C ATOM 785 CD2 PHE A 52 -2.414 2.792 5.225 1.00 0.00 C ATOM 786 CE1 PHE A 52 -1.462 1.337 7.367 1.00 0.00 C ATOM 787 CE2 PHE A 52 -3.250 2.499 6.286 1.00 0.00 C ATOM 788 CZ PHE A 52 -2.773 1.772 7.359 1.00 0.00 C ATOM 0 H PHE A 52 0.006 5.627 3.569 1.00 0.00 H new ATOM 0 HA PHE A 52 1.267 3.663 5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.799 2.928 3.195 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.386 1.792 3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.393 1.290 6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.792 3.363 4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.087 0.767 8.204 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.275 2.838 6.276 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.424 1.544 8.190 1.00 0.00 H new ATOM 798 N CYS A 53 2.779 2.972 3.296 1.00 0.00 N ATOM 799 CA CYS A 53 3.853 2.925 2.311 1.00 0.00 C ATOM 800 C CYS A 53 3.519 1.947 1.188 1.00 0.00 C ATOM 801 O CYS A 53 2.563 1.178 1.285 1.00 0.00 O ATOM 802 CB CYS A 53 5.169 2.520 2.979 1.00 0.00 C ATOM 803 SG CYS A 53 5.169 0.830 3.659 1.00 0.00 S ATOM 0 H CYS A 53 2.823 2.238 4.003 1.00 0.00 H new ATOM 0 HA CYS A 53 3.962 3.921 1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.975 2.607 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.388 3.223 3.782 1.00 0.00 H new ATOM 808 N ASN A 54 4.314 1.982 0.124 1.00 0.00 N ATOM 809 CA ASN A 54 4.103 1.100 -1.018 1.00 0.00 C ATOM 810 C ASN A 54 4.084 -0.361 -0.580 1.00 0.00 C ATOM 811 O ASN A 54 3.470 -1.209 -1.229 1.00 0.00 O ATOM 812 CB ASN A 54 5.196 1.316 -2.066 1.00 0.00 C ATOM 813 CG ASN A 54 4.751 0.915 -3.458 1.00 0.00 C ATOM 814 OD1 ASN A 54 3.766 0.195 -3.624 1.00 0.00 O ATOM 815 ND2 ASN A 54 5.476 1.380 -4.469 1.00 0.00 N ATOM 0 H ASN A 54 5.111 2.612 0.029 1.00 0.00 H new ATOM 0 HA ASN A 54 3.136 1.342 -1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.489 2.366 -2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.079 0.740 -1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.224 1.143 -5.429 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.285 1.974 -4.286 1.00 0.00 H new ATOM 822 N THR A 55 4.761 -0.650 0.527 1.00 0.00 N ATOM 823 CA THR A 55 4.823 -2.008 1.052 1.00 0.00 C ATOM 824 C THR A 55 3.547 -2.366 1.805 1.00 0.00 C ATOM 825 O THR A 55 3.185 -3.538 1.913 1.00 0.00 O ATOM 826 CB THR A 55 6.029 -2.192 1.993 1.00 0.00 C ATOM 827 OG1 THR A 55 6.963 -1.122 1.807 1.00 0.00 O ATOM 828 CG2 THR A 55 6.719 -3.524 1.735 1.00 0.00 C ATOM 0 H THR A 55 5.274 0.039 1.077 1.00 0.00 H new ATOM 0 HA THR A 55 4.935 -2.673 0.195 1.00 0.00 H new ATOM 0 HB THR A 55 5.665 -2.182 3.020 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.697 -0.356 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.567 -3.631 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.014 -4.338 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.070 -3.558 0.704 1.00 0.00 H new ATOM 836 N CYS A 56 2.868 -1.349 2.325 1.00 0.00 N ATOM 837 CA CYS A 56 1.631 -1.555 3.069 1.00 0.00 C ATOM 838 C CYS A 56 0.433 -1.019 2.290 1.00 0.00 C ATOM 839 O CYS A 56 -0.586 -0.651 2.875 1.00 0.00 O ATOM 840 CB CYS A 56 1.713 -0.872 4.435 1.00 0.00 C ATOM 841 SG CYS A 56 3.063 -1.485 5.493 1.00 0.00 S ATOM 0 H CYS A 56 3.154 -0.373 2.245 1.00 0.00 H new ATOM 0 HA CYS A 56 1.497 -2.627 3.215 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.841 0.200 4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.766 -1.011 4.956 1.00 0.00 H new ATOM 846 N SER A 57 0.563 -0.978 0.968 1.00 0.00 N ATOM 847 CA SER A 57 -0.507 -0.483 0.110 1.00 0.00 C ATOM 848 C SER A 57 -0.350 -1.013 -1.313 1.00 0.00 C ATOM 849 O SER A 57 -0.577 -0.291 -2.284 1.00 0.00 O ATOM 850 CB SER A 57 -0.515 1.046 0.098 1.00 0.00 C ATOM 851 OG SER A 57 -0.017 1.568 1.318 1.00 0.00 O ATOM 0 H SER A 57 1.399 -1.282 0.468 1.00 0.00 H new ATOM 0 HA SER A 57 -1.455 -0.840 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.092 1.410 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.530 1.406 -0.068 1.00 0.00 H new ATOM 0 HG SER A 57 0.962 1.590 1.289 1.00 0.00 H new ATOM 857 N SER A 58 0.039 -2.279 -1.427 1.00 0.00 N ATOM 858 CA SER A 58 0.230 -2.905 -2.729 1.00 0.00 C ATOM 859 C SER A 58 -0.895 -3.891 -3.028 1.00 0.00 C ATOM 860 O SER A 58 -0.651 -5.012 -3.474 1.00 0.00 O ATOM 861 CB SER A 58 1.580 -3.624 -2.780 1.00 0.00 C ATOM 862 OG SER A 58 1.858 -4.275 -1.553 1.00 0.00 O ATOM 0 H SER A 58 0.228 -2.891 -0.633 1.00 0.00 H new ATOM 0 HA SER A 58 0.214 -2.122 -3.487 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.576 -4.354 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.370 -2.906 -3.001 1.00 0.00 H new ATOM 0 HG SER A 58 2.725 -4.728 -1.612 1.00 0.00 H new ATOM 868 N ASN A 59 -2.129 -3.465 -2.778 1.00 0.00 N ATOM 869 CA ASN A 59 -3.293 -4.310 -3.019 1.00 0.00 C ATOM 870 C ASN A 59 -4.534 -3.463 -3.284 1.00 0.00 C ATOM 871 O ASN A 59 -4.762 -2.453 -2.619 1.00 0.00 O ATOM 872 CB ASN A 59 -3.537 -5.232 -1.823 1.00 0.00 C ATOM 873 CG ASN A 59 -2.299 -6.019 -1.437 1.00 0.00 C ATOM 874 OD1 ASN A 59 -2.008 -7.063 -2.021 1.00 0.00 O ATOM 875 ND2 ASN A 59 -1.565 -5.520 -0.450 1.00 0.00 N ATOM 0 H ASN A 59 -2.349 -2.540 -2.409 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.093 -4.917 -3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.867 -4.638 -0.971 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.345 -5.924 -2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.721 -6.005 -0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.845 -4.651 0.005 1.00 0.00 H new ATOM 882 N GLU A 60 -5.333 -3.883 -4.260 1.00 0.00 N ATOM 883 CA GLU A 60 -6.551 -3.163 -4.613 1.00 0.00 C ATOM 884 C GLU A 60 -7.789 -3.987 -4.272 1.00 0.00 C ATOM 885 O GLU A 60 -7.725 -5.213 -4.175 1.00 0.00 O ATOM 886 CB GLU A 60 -6.551 -2.814 -6.103 1.00 0.00 C ATOM 887 CG GLU A 60 -5.299 -2.082 -6.557 1.00 0.00 C ATOM 888 CD GLU A 60 -4.341 -2.979 -7.317 1.00 0.00 C ATOM 889 OE1 GLU A 60 -4.197 -4.156 -6.927 1.00 0.00 O ATOM 890 OE2 GLU A 60 -3.737 -2.503 -8.300 1.00 0.00 O ATOM 0 H GLU A 60 -5.159 -4.718 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.578 -2.241 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.655 -3.731 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.422 -2.197 -6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.584 -1.242 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.790 -1.667 -5.687 1.00 0.00 H new ATOM 897 N LEU A 61 -8.915 -3.306 -4.091 1.00 0.00 N ATOM 898 CA LEU A 61 -10.169 -3.974 -3.760 1.00 0.00 C ATOM 899 C LEU A 61 -11.363 -3.172 -4.268 1.00 0.00 C ATOM 900 O LEU A 61 -11.359 -1.942 -4.229 1.00 0.00 O ATOM 901 CB LEU A 61 -10.280 -4.174 -2.248 1.00 0.00 C ATOM 902 CG LEU A 61 -11.111 -5.372 -1.788 1.00 0.00 C ATOM 903 CD1 LEU A 61 -10.464 -6.673 -2.235 1.00 0.00 C ATOM 904 CD2 LEU A 61 -11.285 -5.352 -0.277 1.00 0.00 C ATOM 0 H LEU A 61 -8.986 -2.291 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 61 -10.174 -4.948 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.274 -4.277 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.709 -3.271 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.097 -5.304 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.069 -7.515 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.393 -6.689 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.465 -6.749 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.879 -6.212 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.307 -5.395 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.794 -4.434 0.019 1.00 0.00 H new ATOM 916 N ALA A 62 -12.385 -3.878 -4.741 1.00 0.00 N ATOM 917 CA ALA A 62 -13.588 -3.233 -5.252 1.00 0.00 C ATOM 918 C ALA A 62 -14.544 -2.878 -4.119 1.00 0.00 C ATOM 919 O ALA A 62 -15.216 -3.749 -3.564 1.00 0.00 O ATOM 920 CB ALA A 62 -14.279 -4.132 -6.267 1.00 0.00 C ATOM 0 H ALA A 62 -12.404 -4.897 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.292 -2.307 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.176 -3.637 -6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.602 -4.330 -7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.555 -5.073 -5.791 1.00 0.00 H new ATOM 926 N LEU A 63 -14.601 -1.595 -3.779 1.00 0.00 N ATOM 927 CA LEU A 63 -15.475 -1.125 -2.710 1.00 0.00 C ATOM 928 C LEU A 63 -16.832 -0.702 -3.263 1.00 0.00 C ATOM 929 O LEU A 63 -16.982 -0.407 -4.449 1.00 0.00 O ATOM 930 CB LEU A 63 -14.825 0.046 -1.971 1.00 0.00 C ATOM 931 CG LEU A 63 -13.819 -0.324 -0.881 1.00 0.00 C ATOM 932 CD1 LEU A 63 -13.130 0.922 -0.345 1.00 0.00 C ATOM 933 CD2 LEU A 63 -14.507 -1.081 0.246 1.00 0.00 C ATOM 0 H LEU A 63 -14.052 -0.862 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.628 -1.947 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.321 0.677 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.614 0.648 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.061 -0.974 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.418 0.639 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.603 1.424 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.875 1.597 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.775 -1.336 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -15.286 -0.456 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.953 -1.994 -0.148 1.00 0.00 H new ATOM 945 N PRO A 64 -17.845 -0.668 -2.385 1.00 0.00 N ATOM 946 CA PRO A 64 -19.207 -0.280 -2.762 1.00 0.00 C ATOM 947 C PRO A 64 -19.316 1.205 -3.093 1.00 0.00 C ATOM 948 O PRO A 64 -20.288 1.644 -3.707 1.00 0.00 O ATOM 949 CB PRO A 64 -20.029 -0.611 -1.514 1.00 0.00 C ATOM 950 CG PRO A 64 -19.054 -0.547 -0.390 1.00 0.00 C ATOM 951 CD PRO A 64 -17.739 -1.007 -0.956 1.00 0.00 C ATOM 0 HA PRO A 64 -19.544 -0.797 -3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -20.841 0.102 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -20.482 -1.599 -1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.977 0.467 0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.368 -1.185 0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -16.898 -0.499 -0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.589 -2.076 -0.807 1.00 0.00 H new ATOM 959 N SER A 65 -18.312 1.973 -2.682 1.00 0.00 N ATOM 960 CA SER A 65 -18.297 3.410 -2.931 1.00 0.00 C ATOM 961 C SER A 65 -17.918 3.705 -4.379 1.00 0.00 C ATOM 962 O SER A 65 -18.599 4.464 -5.069 1.00 0.00 O ATOM 963 CB SER A 65 -17.316 4.103 -1.984 1.00 0.00 C ATOM 964 OG SER A 65 -17.759 5.409 -1.658 1.00 0.00 O ATOM 0 H SER A 65 -17.498 1.624 -2.175 1.00 0.00 H new ATOM 0 HA SER A 65 -19.300 3.796 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.207 3.514 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.332 4.155 -2.449 1.00 0.00 H new ATOM 0 HG SER A 65 -17.116 5.830 -1.050 1.00 0.00 H new ATOM 970 N TYR A 66 -16.826 3.100 -4.833 1.00 0.00 N ATOM 971 CA TYR A 66 -16.353 3.300 -6.198 1.00 0.00 C ATOM 972 C TYR A 66 -16.759 2.132 -7.091 1.00 0.00 C ATOM 973 O TYR A 66 -16.963 1.008 -6.633 1.00 0.00 O ATOM 974 CB TYR A 66 -14.832 3.464 -6.214 1.00 0.00 C ATOM 975 CG TYR A 66 -14.341 4.643 -5.404 1.00 0.00 C ATOM 976 CD1 TYR A 66 -14.274 5.914 -5.961 1.00 0.00 C ATOM 977 CD2 TYR A 66 -13.946 4.485 -4.082 1.00 0.00 C ATOM 978 CE1 TYR A 66 -13.826 6.993 -5.225 1.00 0.00 C ATOM 979 CE2 TYR A 66 -13.498 5.559 -3.337 1.00 0.00 C ATOM 980 CZ TYR A 66 -13.439 6.811 -3.914 1.00 0.00 C ATOM 981 OH TYR A 66 -12.993 7.884 -3.176 1.00 0.00 O ATOM 0 H TYR A 66 -16.252 2.467 -4.276 1.00 0.00 H new ATOM 0 HA TYR A 66 -16.814 4.208 -6.586 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -14.373 2.553 -5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -14.498 3.578 -7.245 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -14.577 6.061 -6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.990 3.506 -3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.779 7.974 -5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -13.196 5.419 -2.310 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.761 7.585 -2.272 1.00 0.00 H new ATOM 991 N PRO A 67 -16.879 2.403 -8.400 1.00 0.00 N ATOM 992 CA PRO A 67 -17.260 1.388 -9.387 1.00 0.00 C ATOM 993 C PRO A 67 -16.166 0.349 -9.602 1.00 0.00 C ATOM 994 O PRO A 67 -16.443 -0.845 -9.716 1.00 0.00 O ATOM 995 CB PRO A 67 -17.484 2.202 -10.664 1.00 0.00 C ATOM 996 CG PRO A 67 -16.642 3.419 -10.489 1.00 0.00 C ATOM 997 CD PRO A 67 -16.650 3.720 -9.016 1.00 0.00 C ATOM 0 HA PRO A 67 -18.133 0.818 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -17.188 1.639 -11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.535 2.462 -10.789 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.627 3.246 -10.846 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.043 4.256 -11.061 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.706 4.157 -8.690 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -17.437 4.428 -8.755 1.00 0.00 H new ATOM 1005 N LYS A 68 -14.921 0.810 -9.656 1.00 0.00 N ATOM 1006 CA LYS A 68 -13.783 -0.080 -9.856 1.00 0.00 C ATOM 1007 C LYS A 68 -12.895 -0.115 -8.616 1.00 0.00 C ATOM 1008 O LYS A 68 -12.903 0.799 -7.792 1.00 0.00 O ATOM 1009 CB LYS A 68 -12.965 0.369 -11.069 1.00 0.00 C ATOM 1010 CG LYS A 68 -12.784 1.875 -11.157 1.00 0.00 C ATOM 1011 CD LYS A 68 -11.792 2.254 -12.243 1.00 0.00 C ATOM 1012 CE LYS A 68 -12.499 2.623 -13.539 1.00 0.00 C ATOM 1013 NZ LYS A 68 -12.364 4.073 -13.851 1.00 0.00 N ATOM 0 H LYS A 68 -14.674 1.795 -9.564 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.167 -1.084 -10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.984 -0.105 -11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.454 0.017 -11.977 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.745 2.347 -11.360 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.438 2.258 -10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.185 3.095 -11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.112 1.422 -12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.085 2.035 -14.358 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.555 2.365 -13.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.859 4.284 -14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.781 4.634 -13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.357 4.315 -13.949 1.00 0.00 H new ATOM 1027 N PRO A 69 -12.111 -1.195 -8.479 1.00 0.00 N ATOM 1028 CA PRO A 69 -11.201 -1.374 -7.344 1.00 0.00 C ATOM 1029 C PRO A 69 -10.026 -0.403 -7.383 1.00 0.00 C ATOM 1030 O PRO A 69 -9.246 -0.395 -8.336 1.00 0.00 O ATOM 1031 CB PRO A 69 -10.711 -2.814 -7.506 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.849 -3.100 -8.961 1.00 0.00 C ATOM 1033 CD PRO A 69 -12.050 -2.323 -9.423 1.00 0.00 C ATOM 0 HA PRO A 69 -11.695 -1.182 -6.392 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.677 -2.919 -7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.307 -3.504 -6.909 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.955 -2.796 -9.505 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.983 -4.167 -9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.936 -1.980 -10.451 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.957 -2.926 -9.387 1.00 0.00 H new ATOM 1041 N VAL A 70 -9.905 0.415 -6.343 1.00 0.00 N ATOM 1042 CA VAL A 70 -8.823 1.389 -6.258 1.00 0.00 C ATOM 1043 C VAL A 70 -7.683 0.871 -5.389 1.00 0.00 C ATOM 1044 O VAL A 70 -7.731 -0.254 -4.891 1.00 0.00 O ATOM 1045 CB VAL A 70 -9.320 2.731 -5.688 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -10.236 3.428 -6.683 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -10.027 2.516 -4.359 1.00 0.00 C ATOM 0 H VAL A 70 -10.543 0.423 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.458 1.546 -7.273 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.457 3.374 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.577 4.374 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.691 3.617 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.097 2.793 -6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.371 3.475 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.882 1.855 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.335 2.064 -3.648 1.00 0.00 H new ATOM 1057 N ARG A 71 -6.660 1.699 -5.209 1.00 0.00 N ATOM 1058 CA ARG A 71 -5.507 1.324 -4.399 1.00 0.00 C ATOM 1059 C ARG A 71 -5.798 1.519 -2.914 1.00 0.00 C ATOM 1060 O ARG A 71 -6.029 2.639 -2.457 1.00 0.00 O ATOM 1061 CB ARG A 71 -4.284 2.150 -4.802 1.00 0.00 C ATOM 1062 CG ARG A 71 -3.098 1.979 -3.866 1.00 0.00 C ATOM 1063 CD ARG A 71 -1.794 2.378 -4.540 1.00 0.00 C ATOM 1064 NE ARG A 71 -1.212 3.576 -3.941 1.00 0.00 N ATOM 1065 CZ ARG A 71 -1.604 4.810 -4.236 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -2.574 5.008 -5.118 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -1.025 5.849 -3.648 1.00 0.00 N ATOM 0 H ARG A 71 -6.606 2.634 -5.613 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.299 0.269 -4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.983 1.869 -5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.562 3.203 -4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.248 2.586 -2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.037 0.941 -3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.083 1.555 -4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.973 2.554 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.463 3.458 -3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.021 4.211 -5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.873 5.957 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.278 5.700 -2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.326 6.797 -3.875 1.00 0.00 H new ATOM 1081 N VAL A 72 -5.787 0.421 -2.165 1.00 0.00 N ATOM 1082 CA VAL A 72 -6.049 0.470 -0.732 1.00 0.00 C ATOM 1083 C VAL A 72 -4.849 -0.028 0.064 1.00 0.00 C ATOM 1084 O VAL A 72 -3.829 -0.416 -0.506 1.00 0.00 O ATOM 1085 CB VAL A 72 -7.284 -0.371 -0.358 1.00 0.00 C ATOM 1086 CG1 VAL A 72 -8.556 0.294 -0.862 1.00 0.00 C ATOM 1087 CG2 VAL A 72 -7.155 -1.782 -0.913 1.00 0.00 C ATOM 0 H VAL A 72 -5.599 -0.514 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.240 1.513 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.342 -0.436 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.418 -0.315 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.652 1.282 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.510 0.391 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.036 -2.363 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.071 -1.740 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.265 -2.256 -0.499 1.00 0.00 H new ATOM 1097 N CYS A 73 -4.976 -0.015 1.387 1.00 0.00 N ATOM 1098 CA CYS A 73 -3.902 -0.466 2.264 1.00 0.00 C ATOM 1099 C CYS A 73 -4.112 -1.919 2.678 1.00 0.00 C ATOM 1100 O CYS A 73 -5.231 -2.430 2.645 1.00 0.00 O ATOM 1101 CB CYS A 73 -3.823 0.424 3.506 1.00 0.00 C ATOM 1102 SG CYS A 73 -5.236 0.242 4.642 1.00 0.00 S ATOM 0 H CYS A 73 -5.813 0.303 1.875 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.963 -0.396 1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.904 0.195 4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.756 1.465 3.190 1.00 0.00 H new ATOM 1107 N ASP A 74 -3.027 -2.580 3.067 1.00 0.00 N ATOM 1108 CA ASP A 74 -3.091 -3.974 3.489 1.00 0.00 C ATOM 1109 C ASP A 74 -4.072 -4.148 4.644 1.00 0.00 C ATOM 1110 O ASP A 74 -4.670 -5.211 4.809 1.00 0.00 O ATOM 1111 CB ASP A 74 -1.704 -4.468 3.904 1.00 0.00 C ATOM 1112 CG ASP A 74 -1.212 -5.609 3.035 1.00 0.00 C ATOM 1113 OD1 ASP A 74 -1.948 -6.608 2.894 1.00 0.00 O ATOM 1114 OD2 ASP A 74 -0.091 -5.502 2.495 1.00 0.00 O ATOM 0 H ASP A 74 -2.093 -2.172 3.099 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.442 -4.567 2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.996 -3.641 3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.734 -4.794 4.944 1.00 0.00 H new ATOM 1119 N SER A 75 -4.233 -3.096 5.441 1.00 0.00 N ATOM 1120 CA SER A 75 -5.138 -3.134 6.584 1.00 0.00 C ATOM 1121 C SER A 75 -6.587 -3.268 6.125 1.00 0.00 C ATOM 1122 O SER A 75 -7.432 -3.800 6.844 1.00 0.00 O ATOM 1123 CB SER A 75 -4.975 -1.872 7.433 1.00 0.00 C ATOM 1124 OG SER A 75 -4.819 -2.196 8.803 1.00 0.00 O ATOM 0 H SER A 75 -3.749 -2.207 5.316 1.00 0.00 H new ATOM 0 HA SER A 75 -4.884 -4.005 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.108 -1.308 7.089 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.846 -1.229 7.305 1.00 0.00 H new ATOM 0 HG SER A 75 -4.715 -1.373 9.324 1.00 0.00 H new ATOM 1130 N CYS A 76 -6.867 -2.780 4.920 1.00 0.00 N ATOM 1131 CA CYS A 76 -8.212 -2.843 4.363 1.00 0.00 C ATOM 1132 C CYS A 76 -8.385 -4.088 3.498 1.00 0.00 C ATOM 1133 O CYS A 76 -9.361 -4.826 3.639 1.00 0.00 O ATOM 1134 CB CYS A 76 -8.504 -1.590 3.536 1.00 0.00 C ATOM 1135 SG CYS A 76 -8.831 -0.101 4.533 1.00 0.00 S ATOM 0 H CYS A 76 -6.179 -2.337 4.311 1.00 0.00 H new ATOM 0 HA CYS A 76 -8.919 -2.896 5.191 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.656 -1.395 2.879 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.365 -1.782 2.896 1.00 0.00 H new ATOM 1140 N HIS A 77 -7.429 -4.317 2.602 1.00 0.00 N ATOM 1141 CA HIS A 77 -7.474 -5.473 1.714 1.00 0.00 C ATOM 1142 C HIS A 77 -7.661 -6.762 2.509 1.00 0.00 C ATOM 1143 O HIS A 77 -8.666 -7.458 2.358 1.00 0.00 O ATOM 1144 CB HIS A 77 -6.194 -5.554 0.882 1.00 0.00 C ATOM 1145 CG HIS A 77 -6.271 -6.541 -0.241 1.00 0.00 C ATOM 1146 ND1 HIS A 77 -5.363 -7.566 -0.407 1.00 0.00 N ATOM 1147 CD2 HIS A 77 -7.157 -6.658 -1.258 1.00 0.00 C ATOM 1148 CE1 HIS A 77 -5.686 -8.269 -1.478 1.00 0.00 C ATOM 1149 NE2 HIS A 77 -6.771 -7.739 -2.013 1.00 0.00 N ATOM 0 H HIS A 77 -6.614 -3.717 2.472 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.326 -5.353 1.045 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.973 -4.568 0.473 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.363 -5.822 1.534 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.009 -6.020 -1.442 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.153 -9.131 -1.852 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.245 -8.077 -2.850 1.00 0.00 H new ATOM 1157 N THR A 78 -6.686 -7.075 3.357 1.00 0.00 N ATOM 1158 CA THR A 78 -6.742 -8.280 4.174 1.00 0.00 C ATOM 1159 C THR A 78 -8.010 -8.314 5.018 1.00 0.00 C ATOM 1160 O THR A 78 -8.719 -9.321 5.051 1.00 0.00 O ATOM 1161 CB THR A 78 -5.518 -8.386 5.103 1.00 0.00 C ATOM 1162 OG1 THR A 78 -4.318 -8.136 4.363 1.00 0.00 O ATOM 1163 CG2 THR A 78 -5.445 -9.762 5.747 1.00 0.00 C ATOM 0 H THR A 78 -5.848 -6.510 3.496 1.00 0.00 H new ATOM 0 HA THR A 78 -6.743 -9.127 3.488 1.00 0.00 H new ATOM 0 HB THR A 78 -5.621 -7.639 5.890 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.150 -7.171 4.328 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.573 -9.813 6.399 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.347 -9.937 6.334 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.363 -10.523 4.971 1.00 0.00 H new ATOM 1171 N LEU A 79 -8.292 -7.209 5.698 1.00 0.00 N ATOM 1172 CA LEU A 79 -9.478 -7.112 6.543 1.00 0.00 C ATOM 1173 C LEU A 79 -10.733 -7.492 5.765 1.00 0.00 C ATOM 1174 O LEU A 79 -11.387 -8.491 6.070 1.00 0.00 O ATOM 1175 CB LEU A 79 -9.619 -5.693 7.097 1.00 0.00 C ATOM 1176 CG LEU A 79 -10.900 -5.401 7.879 1.00 0.00 C ATOM 1177 CD1 LEU A 79 -10.948 -6.231 9.153 1.00 0.00 C ATOM 1178 CD2 LEU A 79 -11.002 -3.918 8.202 1.00 0.00 C ATOM 0 H LEU A 79 -7.716 -6.367 5.681 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.361 -7.810 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.767 -5.492 7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.558 -4.992 6.265 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.753 -5.676 7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.867 -6.010 9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.923 -7.290 8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.089 -5.988 9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.920 -3.729 8.759 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.144 -3.617 8.803 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.015 -3.344 7.276 1.00 0.00 H new ATOM 1190 N LEU A 80 -11.065 -6.692 4.758 1.00 0.00 N ATOM 1191 CA LEU A 80 -12.241 -6.946 3.933 1.00 0.00 C ATOM 1192 C LEU A 80 -12.235 -8.376 3.402 1.00 0.00 C ATOM 1193 O LEU A 80 -13.282 -9.020 3.311 1.00 0.00 O ATOM 1194 CB LEU A 80 -12.294 -5.957 2.767 1.00 0.00 C ATOM 1195 CG LEU A 80 -12.660 -4.517 3.125 1.00 0.00 C ATOM 1196 CD1 LEU A 80 -11.844 -3.537 2.297 1.00 0.00 C ATOM 1197 CD2 LEU A 80 -14.150 -4.279 2.922 1.00 0.00 C ATOM 0 H LEU A 80 -10.536 -5.861 4.493 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.126 -6.813 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.321 -5.952 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.017 -6.324 2.038 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.426 -4.354 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.118 -2.517 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.783 -3.691 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.045 -3.700 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.393 -3.249 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.409 -4.461 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.717 -4.957 3.560 1.00 0.00 H new ATOM 1209 N LEU A 81 -11.051 -8.868 3.056 1.00 0.00 N ATOM 1210 CA LEU A 81 -10.908 -10.224 2.536 1.00 0.00 C ATOM 1211 C LEU A 81 -11.328 -11.254 3.580 1.00 0.00 C ATOM 1212 O LEU A 81 -12.004 -12.232 3.263 1.00 0.00 O ATOM 1213 CB LEU A 81 -9.462 -10.477 2.107 1.00 0.00 C ATOM 1214 CG LEU A 81 -9.086 -10.000 0.704 1.00 0.00 C ATOM 1215 CD1 LEU A 81 -7.576 -9.868 0.571 1.00 0.00 C ATOM 1216 CD2 LEU A 81 -9.634 -10.952 -0.349 1.00 0.00 C ATOM 0 H LEU A 81 -10.176 -8.349 3.126 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.561 -10.325 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.801 -9.990 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.267 -11.548 2.170 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.532 -9.018 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.328 -9.528 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.208 -9.146 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.109 -10.836 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.356 -10.596 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.219 -11.947 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.720 -10.996 -0.270 1.00 0.00 H new ATOM 1228 N GLN A 82 -10.924 -11.026 4.825 1.00 0.00 N ATOM 1229 CA GLN A 82 -11.260 -11.934 5.916 1.00 0.00 C ATOM 1230 C GLN A 82 -12.502 -11.455 6.660 1.00 0.00 C ATOM 1231 O GLN A 82 -12.572 -11.534 7.886 1.00 0.00 O ATOM 1232 CB GLN A 82 -10.085 -12.055 6.887 1.00 0.00 C ATOM 1233 CG GLN A 82 -8.770 -12.406 6.210 1.00 0.00 C ATOM 1234 CD GLN A 82 -7.856 -13.226 7.098 1.00 0.00 C ATOM 1235 OE1 GLN A 82 -7.061 -12.680 7.864 1.00 0.00 O ATOM 1236 NE2 GLN A 82 -7.964 -14.546 7.001 1.00 0.00 N ATOM 0 H GLN A 82 -10.364 -10.221 5.104 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.471 -12.914 5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.968 -11.113 7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.316 -12.818 7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.974 -12.961 5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.259 -11.488 5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.636 -14.956 6.353 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.375 -15.149 7.575 1.00 0.00 H new ATOM 1245 N ARG A 83 -13.481 -10.958 5.909 1.00 0.00 N ATOM 1246 CA ARG A 83 -14.720 -10.465 6.498 1.00 0.00 C ATOM 1247 C ARG A 83 -15.507 -11.604 7.140 1.00 0.00 C ATOM 1248 O ARG A 83 -16.148 -12.396 6.448 1.00 0.00 O ATOM 1249 CB ARG A 83 -15.576 -9.775 5.435 1.00 0.00 C ATOM 1250 CG ARG A 83 -16.792 -9.061 6.001 1.00 0.00 C ATOM 1251 CD ARG A 83 -17.854 -8.840 4.935 1.00 0.00 C ATOM 1252 NE ARG A 83 -19.120 -9.479 5.283 1.00 0.00 N ATOM 1253 CZ ARG A 83 -20.208 -9.417 4.523 1.00 0.00 C ATOM 1254 NH1 ARG A 83 -20.184 -8.748 3.379 1.00 0.00 N ATOM 1255 NH2 ARG A 83 -21.323 -10.025 4.908 1.00 0.00 N ATOM 0 H ARG A 83 -13.439 -10.887 4.892 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.463 -9.742 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.960 -9.055 4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -15.907 -10.518 4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -17.212 -9.647 6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.490 -8.101 6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.013 -7.770 4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.499 -9.234 3.983 1.00 0.00 H new ATOM 0 HE ARG A 83 -19.172 -10.002 6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -19.329 -8.279 3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -21.021 -8.702 2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -21.345 -10.540 5.788 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -22.158 -9.977 4.324 1.00 0.00 H new ATOM 1269 N CYS A 84 -15.455 -11.679 8.465 1.00 0.00 N ATOM 1270 CA CYS A 84 -16.162 -12.721 9.201 1.00 0.00 C ATOM 1271 C CYS A 84 -16.991 -12.122 10.332 1.00 0.00 C ATOM 1272 O CYS A 84 -16.727 -11.008 10.786 1.00 0.00 O ATOM 1273 CB CYS A 84 -15.170 -13.740 9.763 1.00 0.00 C ATOM 1274 SG CYS A 84 -13.925 -13.028 10.865 1.00 0.00 S ATOM 0 H CYS A 84 -14.930 -11.030 9.052 1.00 0.00 H new ATOM 0 HA CYS A 84 -16.837 -13.225 8.509 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -15.722 -14.508 10.304 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -14.665 -14.235 8.934 1.00 0.00 H new ATOM 0 HG CYS A 84 -13.134 -13.968 11.291 1.00 0.00 H new ATOM 1280 N SER A 85 -17.995 -12.867 10.783 1.00 0.00 N ATOM 1281 CA SER A 85 -18.866 -12.407 11.858 1.00 0.00 C ATOM 1282 C SER A 85 -18.412 -12.967 13.202 1.00 0.00 C ATOM 1283 O SER A 85 -19.217 -13.487 13.975 1.00 0.00 O ATOM 1284 CB SER A 85 -20.313 -12.820 11.582 1.00 0.00 C ATOM 1285 OG SER A 85 -20.402 -14.206 11.299 1.00 0.00 O ATOM 0 H SER A 85 -18.225 -13.792 10.420 1.00 0.00 H new ATOM 0 HA SER A 85 -18.808 -11.319 11.900 1.00 0.00 H new ATOM 0 HB2 SER A 85 -20.934 -12.581 12.446 1.00 0.00 H new ATOM 0 HB3 SER A 85 -20.704 -12.248 10.741 1.00 0.00 H new ATOM 0 HG SER A 85 -21.337 -14.446 11.128 1.00 0.00 H new ATOM 1291 N SER A 86 -17.116 -12.857 13.475 1.00 0.00 N ATOM 1292 CA SER A 86 -16.552 -13.355 14.724 1.00 0.00 C ATOM 1293 C SER A 86 -16.098 -12.202 15.613 1.00 0.00 C ATOM 1294 O SER A 86 -15.029 -11.627 15.408 1.00 0.00 O ATOM 1295 CB SER A 86 -15.374 -14.290 14.440 1.00 0.00 C ATOM 1296 OG SER A 86 -15.754 -15.647 14.584 1.00 0.00 O ATOM 0 H SER A 86 -16.436 -12.427 12.848 1.00 0.00 H new ATOM 0 HA SER A 86 -17.329 -13.911 15.248 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.005 -14.118 13.429 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.554 -14.064 15.122 1.00 0.00 H new ATOM 0 HG SER A 86 -14.985 -16.224 14.396 1.00 0.00 H new ATOM 1302 N THR A 87 -16.919 -11.869 16.605 1.00 0.00 N ATOM 1303 CA THR A 87 -16.604 -10.784 17.526 1.00 0.00 C ATOM 1304 C THR A 87 -17.292 -10.987 18.870 1.00 0.00 C ATOM 1305 O THR A 87 -18.444 -11.416 18.930 1.00 0.00 O ATOM 1306 CB THR A 87 -17.022 -9.418 16.949 1.00 0.00 C ATOM 1307 OG1 THR A 87 -16.695 -8.375 17.874 1.00 0.00 O ATOM 1308 CG2 THR A 87 -18.513 -9.390 16.651 1.00 0.00 C ATOM 0 H THR A 87 -17.807 -12.335 16.791 1.00 0.00 H new ATOM 0 HA THR A 87 -15.523 -10.794 17.669 1.00 0.00 H new ATOM 0 HB THR A 87 -16.479 -9.260 16.017 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.962 -7.510 17.499 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.785 -8.416 16.245 1.00 0.00 H new ATOM 0 HG22 THR A 87 -18.753 -10.166 15.924 1.00 0.00 H new ATOM 0 HG23 THR A 87 -19.071 -9.568 17.570 1.00 0.00 H new ATOM 1316 N ALA A 88 -16.579 -10.676 19.948 1.00 0.00 N ATOM 1317 CA ALA A 88 -17.123 -10.822 21.292 1.00 0.00 C ATOM 1318 C ALA A 88 -16.701 -9.660 22.185 1.00 0.00 C ATOM 1319 O ALA A 88 -15.789 -8.906 21.848 1.00 0.00 O ATOM 1320 CB ALA A 88 -16.680 -12.145 21.900 1.00 0.00 C ATOM 0 H ALA A 88 -15.623 -10.321 19.916 1.00 0.00 H new ATOM 0 HA ALA A 88 -18.211 -10.814 21.219 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -17.094 -12.241 22.904 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -17.037 -12.968 21.281 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.592 -12.175 21.952 1.00 0.00 H new ATOM 1326 N SER A 89 -17.371 -9.522 23.324 1.00 0.00 N ATOM 1327 CA SER A 89 -17.068 -8.448 24.263 1.00 0.00 C ATOM 1328 C SER A 89 -16.294 -8.980 25.466 1.00 0.00 C ATOM 1329 O SER A 89 -16.683 -10.003 26.028 1.00 0.00 O ATOM 1330 CB SER A 89 -18.358 -7.772 24.731 1.00 0.00 C ATOM 1331 OG SER A 89 -19.148 -7.363 23.629 1.00 0.00 O ATOM 0 H SER A 89 -18.127 -10.140 23.619 1.00 0.00 H new ATOM 0 HA SER A 89 -16.447 -7.714 23.749 1.00 0.00 H new ATOM 0 HB2 SER A 89 -18.928 -8.461 25.355 1.00 0.00 H new ATOM 0 HB3 SER A 89 -18.116 -6.908 25.349 1.00 0.00 H new ATOM 0 HG SER A 89 -19.967 -6.935 23.955 1.00 0.00 H new TER 1337 SER A 89 HETATM 1338 ZN ZN A 201 4.449 0.440 5.698 1.00 0.00 ZN HETATM 1339 ZN ZN A 401 -7.060 1.467 4.341 1.00 0.00 ZN