USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 19 HIS HE2 : A 19 HIS NE2 : A 88 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 89 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 90 ZNZN :(H bumps) USER MOD Set 1.1: A 83 ASN : amide:sc= -0.0871 K(o=-0.76,f=-2.1) USER MOD Set 1.2: A 87 LYS NZ :NH3+ -105:sc= -0.677 (180deg=-1.17) USER MOD Set 2.1: A 11 GLN : amide:sc= 2.08 K(o=3.7,f=2.4) USER MOD Set 2.2: A 66 TYR OH : rot -148:sc= 1.63 USER MOD Set 3.1: A 25 ASN : amide:sc= 1.15 K(o=2,f=-7.3!) USER MOD Set 3.2: A 27 ASN : amide:sc= 0.851 K(o=2,f=0.31) USER MOD Set 4.1: A 16 SER OG : rot -90:sc= 0.726 USER MOD Set 4.2: A 32 SER OG : rot 94:sc= 0.887 USER MOD Single : A 1 SER N :NH3+ -133:sc= 1.15 (180deg=-0.307) USER MOD Single : A 1 SER OG : rot -83:sc= 1.41 USER MOD Single : A 3 GLN : amide:sc= 0.935 K(o=0.94,f=-4.7!) USER MOD Single : A 5 SER OG : rot 80:sc= 0.875 USER MOD Single : A 9 SER OG : rot 77:sc= 1.85 USER MOD Single : A 13 CYS SG : rot 79:sc= 0.0793 USER MOD Single : A 15 GLN : amide:sc= 0.542 K(o=0.54,f=0) USER MOD Single : A 21 CYS SG : rot 77:sc= -0.0652 USER MOD Single : A 22 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.16 K(o=1.2,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= 1.82 (180deg=1.09) USER MOD Single : A 41 GLN : amide:sc= 0.138 X(o=0.14,f=0) USER MOD Single : A 43 THR OG1 : rot 75:sc= 1.07 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0574) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 1.53 (180deg=1.48) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0247 USER MOD Single : A 51 ASN : amide:sc= 1 K(o=1,f=-6.6!) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0217) USER MOD Single : A 59 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.24) USER MOD Single : A 64 CYS SG : rot -117:sc= 0.874 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= -0.0129 (180deg=-0.101) USER MOD Single : A 70 HIS : no HD1:sc= 0.962 K(o=0.96,f=-3!) USER MOD Single : A 72 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0004) USER MOD Single : A 74 ASN : amide:sc= -0.0311 K(o=-0.031,f=-2.7!) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc=-0.000274 (180deg=-0.0848) USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0.352) USER MOD Single : A 86 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.039 -7.078 21.891 1.00 0.00 N ATOM 2 CA SER A 1 4.107 -7.868 21.301 1.00 0.00 C ATOM 3 C SER A 1 4.504 -7.276 19.944 1.00 0.00 C ATOM 4 O SER A 1 3.678 -6.617 19.305 1.00 0.00 O ATOM 5 CB SER A 1 3.614 -9.311 21.121 1.00 0.00 C ATOM 6 OG SER A 1 2.518 -9.348 20.229 1.00 0.00 O ATOM 0 H1 SER A 1 3.264 -6.879 22.887 1.00 0.00 H new ATOM 0 H2 SER A 1 2.943 -6.182 21.372 1.00 0.00 H new ATOM 0 H3 SER A 1 2.145 -7.607 21.837 1.00 0.00 H new ATOM 0 HA SER A 1 4.979 -7.857 21.954 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.423 -9.934 20.740 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.321 -9.725 22.086 1.00 0.00 H new ATOM 0 HG SER A 1 1.693 -9.140 20.716 1.00 0.00 H new ATOM 12 N PRO A 2 5.731 -7.536 19.462 1.00 0.00 N ATOM 13 CA PRO A 2 6.138 -7.156 18.118 1.00 0.00 C ATOM 14 C PRO A 2 5.086 -7.636 17.111 1.00 0.00 C ATOM 15 O PRO A 2 4.634 -6.868 16.268 1.00 0.00 O ATOM 16 CB PRO A 2 7.492 -7.836 17.880 1.00 0.00 C ATOM 17 CG PRO A 2 8.046 -8.029 19.291 1.00 0.00 C ATOM 18 CD PRO A 2 6.796 -8.253 20.143 1.00 0.00 C ATOM 0 HA PRO A 2 6.226 -6.076 17.999 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.378 -8.787 17.360 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.151 -7.217 17.271 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.724 -8.881 19.342 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.607 -7.156 19.624 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.563 -9.315 20.228 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.938 -7.876 21.156 1.00 0.00 H new ATOM 26 N GLN A 3 4.669 -8.903 17.240 1.00 0.00 N ATOM 27 CA GLN A 3 3.638 -9.521 16.417 1.00 0.00 C ATOM 28 C GLN A 3 2.384 -8.643 16.379 1.00 0.00 C ATOM 29 O GLN A 3 1.945 -8.250 15.301 1.00 0.00 O ATOM 30 CB GLN A 3 3.343 -10.929 16.961 1.00 0.00 C ATOM 31 CG GLN A 3 2.223 -11.670 16.211 1.00 0.00 C ATOM 32 CD GLN A 3 2.470 -11.810 14.711 1.00 0.00 C ATOM 33 OE1 GLN A 3 1.577 -11.572 13.905 1.00 0.00 O ATOM 34 NE2 GLN A 3 3.674 -12.210 14.314 1.00 0.00 N ATOM 0 H GLN A 3 5.054 -9.537 17.940 1.00 0.00 H new ATOM 0 HA GLN A 3 3.987 -9.615 15.389 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.255 -11.524 16.911 1.00 0.00 H new ATOM 0 HB3 GLN A 3 3.071 -10.851 18.013 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.105 -12.663 16.644 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.283 -11.141 16.367 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.401 -12.402 15.004 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.871 -12.325 13.320 1.00 0.00 H new ATOM 43 N GLU A 4 1.813 -8.327 17.547 1.00 0.00 N ATOM 44 CA GLU A 4 0.636 -7.473 17.610 1.00 0.00 C ATOM 45 C GLU A 4 0.920 -6.131 16.941 1.00 0.00 C ATOM 46 O GLU A 4 0.165 -5.708 16.077 1.00 0.00 O ATOM 47 CB GLU A 4 0.214 -7.245 19.066 1.00 0.00 C ATOM 48 CG GLU A 4 -0.515 -8.463 19.642 1.00 0.00 C ATOM 49 CD GLU A 4 -0.612 -8.369 21.161 1.00 0.00 C ATOM 50 OE1 GLU A 4 0.474 -8.323 21.783 1.00 0.00 O ATOM 51 OE2 GLU A 4 -1.751 -8.325 21.669 1.00 0.00 O ATOM 0 H GLU A 4 2.150 -8.651 18.454 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.176 -7.971 17.081 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.095 -7.029 19.671 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.435 -6.371 19.124 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.515 -8.530 19.213 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.014 -9.374 19.363 1.00 0.00 H new ATOM 58 N SER A 5 2.002 -5.460 17.336 1.00 0.00 N ATOM 59 CA SER A 5 2.380 -4.159 16.795 1.00 0.00 C ATOM 60 C SER A 5 2.374 -4.181 15.261 1.00 0.00 C ATOM 61 O SER A 5 1.764 -3.328 14.612 1.00 0.00 O ATOM 62 CB SER A 5 3.749 -3.753 17.350 1.00 0.00 C ATOM 63 OG SER A 5 3.762 -3.870 18.762 1.00 0.00 O ATOM 0 H SER A 5 2.645 -5.809 18.047 1.00 0.00 H new ATOM 0 HA SER A 5 1.647 -3.414 17.105 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.526 -4.385 16.919 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.976 -2.727 17.061 1.00 0.00 H new ATOM 0 HG SER A 5 3.893 -4.809 19.011 1.00 0.00 H new ATOM 69 N ARG A 6 3.039 -5.184 14.687 1.00 0.00 N ATOM 70 CA ARG A 6 3.110 -5.390 13.252 1.00 0.00 C ATOM 71 C ARG A 6 1.700 -5.597 12.701 1.00 0.00 C ATOM 72 O ARG A 6 1.302 -4.905 11.770 1.00 0.00 O ATOM 73 CB ARG A 6 4.019 -6.586 12.941 1.00 0.00 C ATOM 74 CG ARG A 6 5.484 -6.273 13.278 1.00 0.00 C ATOM 75 CD ARG A 6 6.295 -7.565 13.420 1.00 0.00 C ATOM 76 NE ARG A 6 7.659 -7.277 13.879 1.00 0.00 N ATOM 77 CZ ARG A 6 8.533 -8.198 14.309 1.00 0.00 C ATOM 78 NH1 ARG A 6 8.205 -9.495 14.307 1.00 0.00 N ATOM 79 NH2 ARG A 6 9.738 -7.812 14.740 1.00 0.00 N ATOM 0 H ARG A 6 3.551 -5.886 15.222 1.00 0.00 H new ATOM 0 HA ARG A 6 3.540 -4.513 12.769 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.690 -7.454 13.511 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.933 -6.846 11.886 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.917 -5.650 12.496 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.535 -5.702 14.205 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.802 -8.233 14.126 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.331 -8.084 12.462 1.00 0.00 H new ATOM 0 HE ARG A 6 7.965 -6.304 13.870 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.285 -9.788 13.977 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.875 -10.191 14.635 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.987 -6.823 14.740 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.409 -8.507 15.069 1.00 0.00 H new ATOM 93 N ARG A 7 0.935 -6.529 13.276 1.00 0.00 N ATOM 94 CA ARG A 7 -0.421 -6.821 12.829 1.00 0.00 C ATOM 95 C ARG A 7 -1.277 -5.555 12.791 1.00 0.00 C ATOM 96 O ARG A 7 -1.867 -5.230 11.761 1.00 0.00 O ATOM 97 CB ARG A 7 -1.047 -7.910 13.707 1.00 0.00 C ATOM 98 CG ARG A 7 -2.340 -8.433 13.059 1.00 0.00 C ATOM 99 CD ARG A 7 -2.651 -9.871 13.486 1.00 0.00 C ATOM 100 NE ARG A 7 -1.552 -10.777 13.124 1.00 0.00 N ATOM 101 CZ ARG A 7 -1.204 -11.130 11.879 1.00 0.00 C ATOM 102 NH1 ARG A 7 -1.980 -10.844 10.827 1.00 0.00 N ATOM 103 NH2 ARG A 7 -0.045 -11.766 11.695 1.00 0.00 N ATOM 0 H ARG A 7 1.242 -7.100 14.064 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.376 -7.201 11.808 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.341 -8.730 13.842 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.264 -7.510 14.697 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.172 -7.785 13.334 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.246 -8.389 11.974 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.817 -9.907 14.563 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.573 -10.204 13.010 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.005 -11.173 13.889 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.860 -10.346 10.963 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.692 -11.124 9.890 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.555 -11.974 12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.241 -12.044 10.756 1.00 0.00 H new ATOM 117 N LEU A 8 -1.331 -4.823 13.904 1.00 0.00 N ATOM 118 CA LEU A 8 -2.055 -3.568 13.999 1.00 0.00 C ATOM 119 C LEU A 8 -1.553 -2.612 12.917 1.00 0.00 C ATOM 120 O LEU A 8 -2.360 -1.972 12.250 1.00 0.00 O ATOM 121 CB LEU A 8 -1.944 -2.968 15.405 1.00 0.00 C ATOM 122 CG LEU A 8 -3.002 -3.560 16.360 1.00 0.00 C ATOM 123 CD1 LEU A 8 -2.533 -4.828 17.081 1.00 0.00 C ATOM 124 CD2 LEU A 8 -3.382 -2.490 17.379 1.00 0.00 C ATOM 0 H LEU A 8 -0.866 -5.093 14.771 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.117 -3.748 13.829 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.947 -3.156 15.804 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.067 -1.886 15.350 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.861 -3.858 15.759 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.326 -5.189 17.735 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.291 -5.596 16.346 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.647 -4.602 17.675 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.130 -2.889 18.064 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.497 -2.192 17.941 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.791 -1.623 16.861 1.00 0.00 H new ATOM 136 N SER A 9 -0.236 -2.529 12.705 1.00 0.00 N ATOM 137 CA SER A 9 0.313 -1.681 11.657 1.00 0.00 C ATOM 138 C SER A 9 -0.156 -2.100 10.261 1.00 0.00 C ATOM 139 O SER A 9 -0.534 -1.243 9.464 1.00 0.00 O ATOM 140 CB SER A 9 1.834 -1.579 11.778 1.00 0.00 C ATOM 141 OG SER A 9 2.158 -1.060 13.057 1.00 0.00 O ATOM 0 H SER A 9 0.463 -3.039 13.246 1.00 0.00 H new ATOM 0 HA SER A 9 -0.083 -0.676 11.800 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.290 -2.560 11.642 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.232 -0.932 10.996 1.00 0.00 H new ATOM 0 HG SER A 9 2.061 -1.765 13.730 1.00 0.00 H new ATOM 147 N ILE A 10 -0.171 -3.399 9.953 1.00 0.00 N ATOM 148 CA ILE A 10 -0.655 -3.879 8.662 1.00 0.00 C ATOM 149 C ILE A 10 -2.143 -3.527 8.543 1.00 0.00 C ATOM 150 O ILE A 10 -2.572 -2.998 7.522 1.00 0.00 O ATOM 151 CB ILE A 10 -0.347 -5.377 8.462 1.00 0.00 C ATOM 152 CG1 ILE A 10 1.173 -5.634 8.502 1.00 0.00 C ATOM 153 CG2 ILE A 10 -0.877 -5.841 7.095 1.00 0.00 C ATOM 154 CD1 ILE A 10 1.510 -7.118 8.677 1.00 0.00 C ATOM 0 H ILE A 10 0.147 -4.136 10.582 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.127 -3.382 7.848 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.832 -5.929 9.267 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.625 -5.268 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.613 -5.065 9.321 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.656 -6.900 6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.955 -5.686 7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.396 -5.266 6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.592 -7.245 8.699 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.083 -7.480 9.612 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.095 -7.686 7.845 1.00 0.00 H new ATOM 166 N GLN A 11 -2.936 -3.766 9.589 1.00 0.00 N ATOM 167 CA GLN A 11 -4.357 -3.424 9.597 1.00 0.00 C ATOM 168 C GLN A 11 -4.547 -1.911 9.370 1.00 0.00 C ATOM 169 O GLN A 11 -5.428 -1.479 8.623 1.00 0.00 O ATOM 170 CB GLN A 11 -4.993 -3.845 10.938 1.00 0.00 C ATOM 171 CG GLN A 11 -5.942 -5.050 10.847 1.00 0.00 C ATOM 172 CD GLN A 11 -5.305 -6.382 10.451 1.00 0.00 C ATOM 173 OE1 GLN A 11 -5.970 -7.245 9.888 1.00 0.00 O ATOM 174 NE2 GLN A 11 -4.025 -6.607 10.730 1.00 0.00 N ATOM 0 H GLN A 11 -2.611 -4.201 10.452 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.851 -3.961 8.787 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.197 -4.079 11.645 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.542 -2.997 11.346 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.428 -5.177 11.814 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.724 -4.816 10.125 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.471 -5.890 11.198 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.596 -7.497 10.476 1.00 0.00 H new ATOM 183 N ARG A 12 -3.739 -1.083 10.036 1.00 0.00 N ATOM 184 CA ARG A 12 -3.781 0.370 9.909 1.00 0.00 C ATOM 185 C ARG A 12 -3.457 0.743 8.463 1.00 0.00 C ATOM 186 O ARG A 12 -4.147 1.559 7.846 1.00 0.00 O ATOM 187 CB ARG A 12 -2.807 0.999 10.917 1.00 0.00 C ATOM 188 CG ARG A 12 -2.839 2.534 10.892 1.00 0.00 C ATOM 189 CD ARG A 12 -2.032 3.147 12.047 1.00 0.00 C ATOM 190 NE ARG A 12 -0.611 2.763 12.000 1.00 0.00 N ATOM 191 CZ ARG A 12 -0.021 1.786 12.711 1.00 0.00 C ATOM 192 NH1 ARG A 12 -0.710 1.053 13.593 1.00 0.00 N ATOM 193 NH2 ARG A 12 1.276 1.521 12.514 1.00 0.00 N ATOM 0 H ARG A 12 -3.027 -1.412 10.688 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.773 0.758 10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.053 0.651 11.920 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.795 0.657 10.700 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.439 2.889 9.942 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.872 2.876 10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.114 4.233 12.009 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.461 2.828 12.997 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.014 3.292 11.364 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.704 1.230 13.737 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.241 0.317 14.121 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.808 2.058 11.829 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.732 0.782 13.049 1.00 0.00 H new ATOM 207 N CYS A 13 -2.421 0.109 7.909 1.00 0.00 N ATOM 208 CA CYS A 13 -2.025 0.304 6.525 1.00 0.00 C ATOM 209 C CYS A 13 -3.197 -0.051 5.617 1.00 0.00 C ATOM 210 O CYS A 13 -3.512 0.722 4.718 1.00 0.00 O ATOM 211 CB CYS A 13 -0.770 -0.503 6.174 1.00 0.00 C ATOM 212 SG CYS A 13 0.690 0.293 6.877 1.00 0.00 S ATOM 0 H CYS A 13 -1.835 -0.555 8.415 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.764 1.352 6.375 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.861 -1.519 6.558 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.667 -0.580 5.092 1.00 0.00 H new ATOM 0 HG CYS A 13 0.774 0.006 8.142 1.00 0.00 H new ATOM 218 N ILE A 14 -3.870 -1.184 5.861 1.00 0.00 N ATOM 219 CA ILE A 14 -5.045 -1.581 5.094 1.00 0.00 C ATOM 220 C ILE A 14 -6.076 -0.462 5.133 1.00 0.00 C ATOM 221 O ILE A 14 -6.552 -0.039 4.088 1.00 0.00 O ATOM 222 CB ILE A 14 -5.649 -2.915 5.583 1.00 0.00 C ATOM 223 CG1 ILE A 14 -4.740 -4.052 5.099 1.00 0.00 C ATOM 224 CG2 ILE A 14 -7.089 -3.081 5.059 1.00 0.00 C ATOM 225 CD1 ILE A 14 -5.211 -5.457 5.468 1.00 0.00 C ATOM 0 H ILE A 14 -3.612 -1.845 6.594 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.733 -1.751 4.064 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.704 -2.932 6.671 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.650 -3.988 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.742 -3.900 5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.498 -4.027 5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.706 -2.259 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.083 -3.074 3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.503 -6.191 5.082 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.272 -5.547 6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.194 -5.637 5.033 1.00 0.00 H new ATOM 237 N GLN A 15 -6.447 0.008 6.322 1.00 0.00 N ATOM 238 CA GLN A 15 -7.449 1.061 6.427 1.00 0.00 C ATOM 239 C GLN A 15 -7.023 2.291 5.614 1.00 0.00 C ATOM 240 O GLN A 15 -7.806 2.806 4.818 1.00 0.00 O ATOM 241 CB GLN A 15 -7.710 1.379 7.901 1.00 0.00 C ATOM 242 CG GLN A 15 -8.513 0.241 8.546 1.00 0.00 C ATOM 243 CD GLN A 15 -8.355 0.232 10.059 1.00 0.00 C ATOM 244 OE1 GLN A 15 -9.207 0.720 10.792 1.00 0.00 O ATOM 245 NE2 GLN A 15 -7.251 -0.335 10.535 1.00 0.00 N ATOM 0 H GLN A 15 -6.074 -0.319 7.213 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.392 0.721 5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.764 1.512 8.426 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.258 2.317 7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.567 0.348 8.290 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.182 -0.715 8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.564 -0.731 9.894 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.091 -0.374 11.542 1.00 0.00 H new ATOM 254 N SER A 16 -5.778 2.748 5.783 1.00 0.00 N ATOM 255 CA SER A 16 -5.278 3.897 5.036 1.00 0.00 C ATOM 256 C SER A 16 -5.288 3.635 3.523 1.00 0.00 C ATOM 257 O SER A 16 -5.596 4.534 2.745 1.00 0.00 O ATOM 258 CB SER A 16 -3.886 4.297 5.535 1.00 0.00 C ATOM 259 OG SER A 16 -3.564 5.598 5.070 1.00 0.00 O ATOM 0 H SER A 16 -5.103 2.339 6.429 1.00 0.00 H new ATOM 0 HA SER A 16 -5.951 4.736 5.213 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.860 4.273 6.624 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.144 3.581 5.183 1.00 0.00 H new ATOM 0 HG SER A 16 -3.111 5.533 4.203 1.00 0.00 H new ATOM 265 N LEU A 17 -4.944 2.416 3.099 1.00 0.00 N ATOM 266 CA LEU A 17 -4.929 1.999 1.703 1.00 0.00 C ATOM 267 C LEU A 17 -6.354 2.061 1.163 1.00 0.00 C ATOM 268 O LEU A 17 -6.623 2.799 0.221 1.00 0.00 O ATOM 269 CB LEU A 17 -4.338 0.586 1.616 1.00 0.00 C ATOM 270 CG LEU A 17 -4.577 -0.142 0.283 1.00 0.00 C ATOM 271 CD1 LEU A 17 -3.689 0.409 -0.834 1.00 0.00 C ATOM 272 CD2 LEU A 17 -4.308 -1.627 0.519 1.00 0.00 C ATOM 0 H LEU A 17 -4.661 1.674 3.739 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.308 2.658 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.264 0.647 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.758 -0.017 2.421 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.605 0.014 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.889 -0.133 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.903 1.468 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.641 0.285 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.468 -2.178 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.278 -1.762 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.986 -2.002 1.285 1.00 0.00 H new ATOM 284 N VAL A 18 -7.262 1.286 1.761 1.00 0.00 N ATOM 285 CA VAL A 18 -8.681 1.242 1.423 1.00 0.00 C ATOM 286 C VAL A 18 -9.214 2.670 1.298 1.00 0.00 C ATOM 287 O VAL A 18 -9.876 3.010 0.315 1.00 0.00 O ATOM 288 CB VAL A 18 -9.440 0.449 2.504 1.00 0.00 C ATOM 289 CG1 VAL A 18 -10.959 0.605 2.364 1.00 0.00 C ATOM 290 CG2 VAL A 18 -9.097 -1.045 2.443 1.00 0.00 C ATOM 0 H VAL A 18 -7.018 0.650 2.520 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.828 0.738 0.468 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.124 0.860 3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.457 0.030 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.227 1.657 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.274 0.238 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.648 -1.577 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.371 -1.442 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.027 -1.179 2.602 1.00 0.00 H new ATOM 300 N HIS A 19 -8.918 3.510 2.293 1.00 0.00 N ATOM 301 CA HIS A 19 -9.307 4.908 2.277 1.00 0.00 C ATOM 302 C HIS A 19 -8.751 5.561 1.006 1.00 0.00 C ATOM 303 O HIS A 19 -9.511 6.046 0.174 1.00 0.00 O ATOM 304 CB HIS A 19 -8.804 5.593 3.566 1.00 0.00 C ATOM 305 CG HIS A 19 -8.870 7.101 3.548 1.00 0.00 C ATOM 306 ND1 HIS A 19 -9.829 7.888 4.147 1.00 0.00 N ATOM 307 CD2 HIS A 19 -8.029 7.932 2.858 1.00 0.00 C ATOM 308 CE1 HIS A 19 -9.593 9.160 3.779 1.00 0.00 C ATOM 309 NE2 HIS A 19 -8.537 9.226 2.952 1.00 0.00 N ATOM 0 H HIS A 19 -8.402 3.233 3.128 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.392 5.014 2.258 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.392 5.228 4.408 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.772 5.290 3.743 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -10.580 7.565 4.757 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.132 7.637 2.334 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.173 10.011 4.104 1.00 0.00 H new ATOM 317 N ALA A 20 -7.425 5.576 0.856 1.00 0.00 N ATOM 318 CA ALA A 20 -6.720 6.214 -0.250 1.00 0.00 C ATOM 319 C ALA A 20 -7.220 5.779 -1.628 1.00 0.00 C ATOM 320 O ALA A 20 -7.322 6.593 -2.543 1.00 0.00 O ATOM 321 CB ALA A 20 -5.221 5.964 -0.093 1.00 0.00 C ATOM 0 H ALA A 20 -6.796 5.130 1.523 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.926 7.283 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.685 6.437 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.879 6.385 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.028 4.891 -0.104 1.00 0.00 H new ATOM 327 N CYS A 21 -7.536 4.495 -1.772 1.00 0.00 N ATOM 328 CA CYS A 21 -8.028 3.914 -3.015 1.00 0.00 C ATOM 329 C CYS A 21 -9.335 4.574 -3.445 1.00 0.00 C ATOM 330 O CYS A 21 -9.585 4.720 -4.640 1.00 0.00 O ATOM 331 CB CYS A 21 -8.242 2.411 -2.836 1.00 0.00 C ATOM 332 SG CYS A 21 -6.638 1.580 -2.731 1.00 0.00 S ATOM 0 H CYS A 21 -7.455 3.818 -1.013 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.284 4.086 -3.792 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.822 2.221 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.816 2.013 -3.673 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.128 1.769 -1.550 1.00 0.00 H new ATOM 338 N GLN A 22 -10.165 4.960 -2.475 1.00 0.00 N ATOM 339 CA GLN A 22 -11.464 5.590 -2.699 1.00 0.00 C ATOM 340 C GLN A 22 -11.395 7.123 -2.646 1.00 0.00 C ATOM 341 O GLN A 22 -12.167 7.807 -3.312 1.00 0.00 O ATOM 342 CB GLN A 22 -12.433 5.060 -1.636 1.00 0.00 C ATOM 343 CG GLN A 22 -12.683 3.556 -1.820 1.00 0.00 C ATOM 344 CD GLN A 22 -13.414 2.977 -0.619 1.00 0.00 C ATOM 345 OE1 GLN A 22 -14.605 2.696 -0.676 1.00 0.00 O ATOM 346 NE2 GLN A 22 -12.696 2.782 0.481 1.00 0.00 N ATOM 0 H GLN A 22 -9.945 4.839 -1.486 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.808 5.338 -3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.025 5.246 -0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.378 5.600 -1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.270 3.389 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.733 3.039 -1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.706 3.027 0.494 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.134 2.387 1.313 1.00 0.00 H new ATOM 355 N CYS A 23 -10.507 7.667 -1.813 1.00 0.00 N ATOM 356 CA CYS A 23 -10.338 9.088 -1.566 1.00 0.00 C ATOM 357 C CYS A 23 -9.990 9.873 -2.832 1.00 0.00 C ATOM 358 O CYS A 23 -9.043 9.518 -3.531 1.00 0.00 O ATOM 359 CB CYS A 23 -9.235 9.262 -0.520 1.00 0.00 C ATOM 360 SG CYS A 23 -8.853 10.970 -0.082 1.00 0.00 S ATOM 0 H CYS A 23 -9.859 7.097 -1.270 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.286 9.489 -1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.527 8.729 0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.327 8.787 -0.891 1.00 0.00 H new ATOM 365 N ARG A 24 -10.711 10.967 -3.102 1.00 0.00 N ATOM 366 CA ARG A 24 -10.476 11.842 -4.251 1.00 0.00 C ATOM 367 C ARG A 24 -9.989 13.216 -3.787 1.00 0.00 C ATOM 368 O ARG A 24 -10.388 14.241 -4.333 1.00 0.00 O ATOM 369 CB ARG A 24 -11.753 11.965 -5.103 1.00 0.00 C ATOM 370 CG ARG A 24 -12.415 10.651 -5.550 1.00 0.00 C ATOM 371 CD ARG A 24 -11.616 9.844 -6.583 1.00 0.00 C ATOM 372 NE ARG A 24 -10.499 9.131 -5.951 1.00 0.00 N ATOM 373 CZ ARG A 24 -10.228 7.822 -5.999 1.00 0.00 C ATOM 374 NH1 ARG A 24 -10.864 6.984 -6.824 1.00 0.00 N ATOM 375 NH2 ARG A 24 -9.297 7.350 -5.171 1.00 0.00 N ATOM 0 H ARG A 24 -11.488 11.273 -2.516 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.697 11.401 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.486 12.540 -4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.513 12.545 -5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.580 10.027 -4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.396 10.879 -5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.274 9.129 -7.078 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.234 10.513 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.851 9.703 -5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.588 7.336 -7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.625 5.992 -6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.818 7.982 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.063 6.357 -5.179 1.00 0.00 H new ATOM 389 N ASN A 25 -9.121 13.241 -2.774 1.00 0.00 N ATOM 390 CA ASN A 25 -8.560 14.464 -2.232 1.00 0.00 C ATOM 391 C ASN A 25 -7.261 14.162 -1.485 1.00 0.00 C ATOM 392 O ASN A 25 -7.280 13.825 -0.304 1.00 0.00 O ATOM 393 CB ASN A 25 -9.561 15.114 -1.281 1.00 0.00 C ATOM 394 CG ASN A 25 -8.935 16.328 -0.590 1.00 0.00 C ATOM 395 OD1 ASN A 25 -7.972 16.907 -1.092 1.00 0.00 O ATOM 396 ND2 ASN A 25 -9.456 16.715 0.569 1.00 0.00 N ATOM 0 H ASN A 25 -8.788 12.398 -2.306 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.345 15.148 -3.053 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.449 15.421 -1.833 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.884 14.390 -0.534 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.058 17.511 1.067 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.254 16.216 0.961 1.00 0.00 H new ATOM 403 N ALA A 26 -6.121 14.337 -2.152 1.00 0.00 N ATOM 404 CA ALA A 26 -4.818 14.134 -1.531 1.00 0.00 C ATOM 405 C ALA A 26 -4.591 15.047 -0.322 1.00 0.00 C ATOM 406 O ALA A 26 -3.745 14.766 0.524 1.00 0.00 O ATOM 407 CB ALA A 26 -3.725 14.357 -2.579 1.00 0.00 C ATOM 0 H ALA A 26 -6.077 14.621 -3.131 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.781 13.111 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.747 14.207 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.856 13.649 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.793 15.374 -2.965 1.00 0.00 H new ATOM 413 N ASN A 27 -5.342 16.144 -0.238 1.00 0.00 N ATOM 414 CA ASN A 27 -5.221 17.149 0.812 1.00 0.00 C ATOM 415 C ASN A 27 -6.048 16.802 2.051 1.00 0.00 C ATOM 416 O ASN A 27 -6.172 17.641 2.939 1.00 0.00 O ATOM 417 CB ASN A 27 -5.626 18.540 0.292 1.00 0.00 C ATOM 418 CG ASN A 27 -5.096 18.834 -1.107 1.00 0.00 C ATOM 419 OD1 ASN A 27 -4.006 19.371 -1.271 1.00 0.00 O ATOM 420 ND2 ASN A 27 -5.865 18.471 -2.131 1.00 0.00 N ATOM 0 H ASN A 27 -6.071 16.362 -0.918 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.171 17.164 1.105 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.713 18.616 0.285 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.257 19.300 0.981 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.553 18.638 -3.088 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.767 18.026 -1.959 1.00 0.00 H new ATOM 427 N CYS A 28 -6.633 15.601 2.142 1.00 0.00 N ATOM 428 CA CYS A 28 -7.492 15.198 3.262 1.00 0.00 C ATOM 429 C CYS A 28 -6.810 15.021 4.633 1.00 0.00 C ATOM 430 O CYS A 28 -7.238 14.203 5.441 1.00 0.00 O ATOM 431 CB CYS A 28 -8.209 13.909 2.859 1.00 0.00 C ATOM 432 SG CYS A 28 -7.054 12.531 2.662 1.00 0.00 S ATOM 0 H CYS A 28 -6.522 14.875 1.434 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.174 16.032 3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.952 13.655 3.615 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.747 14.069 1.924 1.00 0.00 H new ATOM 437 N SER A 29 -5.773 15.805 4.921 1.00 0.00 N ATOM 438 CA SER A 29 -5.036 15.835 6.181 1.00 0.00 C ATOM 439 C SER A 29 -4.532 14.457 6.619 1.00 0.00 C ATOM 440 O SER A 29 -4.374 14.209 7.812 1.00 0.00 O ATOM 441 CB SER A 29 -5.898 16.495 7.262 1.00 0.00 C ATOM 442 OG SER A 29 -6.329 17.767 6.815 1.00 0.00 O ATOM 0 H SER A 29 -5.405 16.473 4.244 1.00 0.00 H new ATOM 0 HA SER A 29 -4.137 16.431 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.760 15.867 7.488 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.327 16.597 8.185 1.00 0.00 H new ATOM 0 HG SER A 29 -6.882 18.187 7.507 1.00 0.00 H new ATOM 448 N LEU A 30 -4.277 13.571 5.655 1.00 0.00 N ATOM 449 CA LEU A 30 -3.804 12.213 5.903 1.00 0.00 C ATOM 450 C LEU A 30 -2.475 11.918 5.202 1.00 0.00 C ATOM 451 O LEU A 30 -2.469 11.451 4.060 1.00 0.00 O ATOM 452 CB LEU A 30 -4.860 11.200 5.455 1.00 0.00 C ATOM 453 CG LEU A 30 -5.999 10.999 6.457 1.00 0.00 C ATOM 454 CD1 LEU A 30 -7.109 10.203 5.774 1.00 0.00 C ATOM 455 CD2 LEU A 30 -5.510 10.179 7.659 1.00 0.00 C ATOM 0 H LEU A 30 -4.396 13.783 4.664 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.634 12.124 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.281 11.527 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.375 10.241 5.276 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.353 11.973 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.930 10.050 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.470 10.754 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.720 9.236 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.330 10.043 8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.160 9.205 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.692 10.706 8.150 1.00 0.00 H new ATOM 467 N PRO A 31 -1.343 12.117 5.893 1.00 0.00 N ATOM 468 CA PRO A 31 -0.031 11.744 5.393 1.00 0.00 C ATOM 469 C PRO A 31 -0.010 10.277 4.946 1.00 0.00 C ATOM 470 O PRO A 31 0.647 9.936 3.967 1.00 0.00 O ATOM 471 CB PRO A 31 0.936 11.967 6.563 1.00 0.00 C ATOM 472 CG PRO A 31 0.230 13.015 7.420 1.00 0.00 C ATOM 473 CD PRO A 31 -1.246 12.668 7.233 1.00 0.00 C ATOM 0 HA PRO A 31 0.246 12.337 4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.111 11.046 7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.908 12.320 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.531 12.952 8.466 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.453 14.028 7.085 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.578 11.947 7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.875 13.552 7.341 1.00 0.00 H new ATOM 481 N SER A 32 -0.737 9.402 5.653 1.00 0.00 N ATOM 482 CA SER A 32 -0.790 7.990 5.323 1.00 0.00 C ATOM 483 C SER A 32 -1.535 7.778 4.002 1.00 0.00 C ATOM 484 O SER A 32 -1.092 6.998 3.166 1.00 0.00 O ATOM 485 CB SER A 32 -1.421 7.228 6.490 1.00 0.00 C ATOM 486 OG SER A 32 -2.749 7.667 6.695 1.00 0.00 O ATOM 0 H SER A 32 -1.299 9.661 6.464 1.00 0.00 H new ATOM 0 HA SER A 32 0.216 7.597 5.174 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.411 6.158 6.283 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.834 7.383 7.396 1.00 0.00 H new ATOM 0 HG SER A 32 -3.365 7.087 6.201 1.00 0.00 H new ATOM 492 N CYS A 33 -2.650 8.489 3.793 1.00 0.00 N ATOM 493 CA CYS A 33 -3.397 8.420 2.542 1.00 0.00 C ATOM 494 C CYS A 33 -2.465 8.834 1.402 1.00 0.00 C ATOM 495 O CYS A 33 -2.331 8.123 0.408 1.00 0.00 O ATOM 496 CB CYS A 33 -4.640 9.309 2.577 1.00 0.00 C ATOM 497 SG CYS A 33 -5.498 9.530 0.996 1.00 0.00 S ATOM 0 H CYS A 33 -3.053 9.122 4.484 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.747 7.399 2.389 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.344 8.888 3.295 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.351 10.291 2.952 1.00 0.00 H new ATOM 502 N GLN A 34 -1.804 9.984 1.573 1.00 0.00 N ATOM 503 CA GLN A 34 -0.848 10.501 0.602 1.00 0.00 C ATOM 504 C GLN A 34 0.222 9.445 0.317 1.00 0.00 C ATOM 505 O GLN A 34 0.481 9.123 -0.841 1.00 0.00 O ATOM 506 CB GLN A 34 -0.213 11.793 1.131 1.00 0.00 C ATOM 507 CG GLN A 34 -1.231 12.937 1.232 1.00 0.00 C ATOM 508 CD GLN A 34 -0.668 14.154 1.964 1.00 0.00 C ATOM 509 OE1 GLN A 34 0.440 14.128 2.490 1.00 0.00 O ATOM 510 NE2 GLN A 34 -1.434 15.238 2.008 1.00 0.00 N ATOM 0 H GLN A 34 -1.921 10.580 2.392 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.365 10.730 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.222 11.607 2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.603 12.091 0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.543 13.231 0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.121 12.583 1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.351 15.233 1.562 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.105 16.076 2.488 1.00 0.00 H new ATOM 519 N LYS A 35 0.837 8.898 1.368 1.00 0.00 N ATOM 520 CA LYS A 35 1.859 7.873 1.240 1.00 0.00 C ATOM 521 C LYS A 35 1.323 6.686 0.438 1.00 0.00 C ATOM 522 O LYS A 35 1.984 6.221 -0.485 1.00 0.00 O ATOM 523 CB LYS A 35 2.363 7.454 2.629 1.00 0.00 C ATOM 524 CG LYS A 35 3.476 6.395 2.597 1.00 0.00 C ATOM 525 CD LYS A 35 4.704 6.854 1.799 1.00 0.00 C ATOM 526 CE LYS A 35 5.847 5.845 1.961 1.00 0.00 C ATOM 527 NZ LYS A 35 7.025 6.240 1.169 1.00 0.00 N ATOM 0 H LYS A 35 0.635 9.159 2.333 1.00 0.00 H new ATOM 0 HA LYS A 35 2.710 8.276 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.730 8.337 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.524 7.067 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.778 6.159 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.086 5.476 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.445 6.955 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.025 7.837 2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.122 5.769 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.510 4.857 1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.782 5.538 1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.766 6.288 0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.359 7.172 1.486 1.00 0.00 H new ATOM 541 N MET A 36 0.127 6.191 0.764 1.00 0.00 N ATOM 542 CA MET A 36 -0.461 5.078 0.035 1.00 0.00 C ATOM 543 C MET A 36 -0.637 5.445 -1.438 1.00 0.00 C ATOM 544 O MET A 36 -0.206 4.687 -2.303 1.00 0.00 O ATOM 545 CB MET A 36 -1.765 4.613 0.696 1.00 0.00 C ATOM 546 CG MET A 36 -1.469 3.891 2.016 1.00 0.00 C ATOM 547 SD MET A 36 -0.560 2.331 1.849 1.00 0.00 S ATOM 548 CE MET A 36 -0.224 1.988 3.586 1.00 0.00 C ATOM 0 H MET A 36 -0.448 6.546 1.528 1.00 0.00 H new ATOM 0 HA MET A 36 0.219 4.227 0.074 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.412 5.470 0.881 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.304 3.946 0.023 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.897 4.560 2.659 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.413 3.692 2.523 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.334 1.055 3.671 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.363 2.802 4.011 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.165 1.899 4.128 1.00 0.00 H new ATOM 558 N LYS A 37 -1.216 6.610 -1.746 1.00 0.00 N ATOM 559 CA LYS A 37 -1.341 7.048 -3.133 1.00 0.00 C ATOM 560 C LYS A 37 0.035 7.050 -3.811 1.00 0.00 C ATOM 561 O LYS A 37 0.181 6.609 -4.953 1.00 0.00 O ATOM 562 CB LYS A 37 -1.977 8.445 -3.215 1.00 0.00 C ATOM 563 CG LYS A 37 -3.465 8.435 -2.853 1.00 0.00 C ATOM 564 CD LYS A 37 -4.071 9.819 -3.122 1.00 0.00 C ATOM 565 CE LYS A 37 -5.586 9.851 -2.892 1.00 0.00 C ATOM 566 NZ LYS A 37 -6.305 8.953 -3.810 1.00 0.00 N ATOM 0 H LYS A 37 -1.601 7.258 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.994 6.348 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.448 9.121 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.855 8.837 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.987 7.679 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.592 8.169 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.593 10.554 -2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.856 10.113 -4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.802 9.565 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.951 10.870 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.276 9.300 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.815 8.929 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.332 7.994 -3.407 1.00 0.00 H new ATOM 580 N ARG A 38 1.051 7.564 -3.117 1.00 0.00 N ATOM 581 CA ARG A 38 2.420 7.640 -3.607 1.00 0.00 C ATOM 582 C ARG A 38 2.937 6.237 -3.944 1.00 0.00 C ATOM 583 O ARG A 38 3.425 6.005 -5.045 1.00 0.00 O ATOM 584 CB ARG A 38 3.283 8.341 -2.549 1.00 0.00 C ATOM 585 CG ARG A 38 4.605 8.894 -3.092 1.00 0.00 C ATOM 586 CD ARG A 38 5.464 9.409 -1.929 1.00 0.00 C ATOM 587 NE ARG A 38 4.715 10.356 -1.087 1.00 0.00 N ATOM 588 CZ ARG A 38 4.997 10.652 0.189 1.00 0.00 C ATOM 589 NH1 ARG A 38 6.127 10.213 0.752 1.00 0.00 N ATOM 590 NH2 ARG A 38 4.140 11.395 0.897 1.00 0.00 N ATOM 0 H ARG A 38 0.938 7.946 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 38 2.466 8.223 -4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.711 9.159 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.498 7.637 -1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.140 8.116 -3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.410 9.701 -3.799 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.800 8.568 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.357 9.896 -2.322 1.00 0.00 H new ATOM 0 HE ARG A 38 3.915 10.826 -1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.781 9.649 0.210 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.335 10.442 1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.279 11.732 0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.347 11.625 1.869 1.00 0.00 H new ATOM 604 N VAL A 39 2.816 5.297 -3.003 1.00 0.00 N ATOM 605 CA VAL A 39 3.244 3.911 -3.156 1.00 0.00 C ATOM 606 C VAL A 39 2.498 3.241 -4.318 1.00 0.00 C ATOM 607 O VAL A 39 3.107 2.541 -5.129 1.00 0.00 O ATOM 608 CB VAL A 39 3.049 3.168 -1.821 1.00 0.00 C ATOM 609 CG1 VAL A 39 3.245 1.655 -1.968 1.00 0.00 C ATOM 610 CG2 VAL A 39 4.046 3.673 -0.768 1.00 0.00 C ATOM 0 H VAL A 39 2.405 5.488 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 39 4.304 3.874 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 39 2.024 3.367 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.098 1.173 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.522 1.262 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.255 1.452 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.891 3.135 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.064 3.504 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.892 4.739 -0.603 1.00 0.00 H new ATOM 620 N VAL A 40 1.180 3.440 -4.403 1.00 0.00 N ATOM 621 CA VAL A 40 0.358 2.873 -5.463 1.00 0.00 C ATOM 622 C VAL A 40 0.871 3.375 -6.818 1.00 0.00 C ATOM 623 O VAL A 40 1.211 2.574 -7.691 1.00 0.00 O ATOM 624 CB VAL A 40 -1.126 3.210 -5.221 1.00 0.00 C ATOM 625 CG1 VAL A 40 -1.999 2.893 -6.442 1.00 0.00 C ATOM 626 CG2 VAL A 40 -1.671 2.406 -4.032 1.00 0.00 C ATOM 0 H VAL A 40 0.655 4.002 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 40 0.432 1.786 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.170 4.280 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.036 3.147 -6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.655 3.476 -7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.927 1.831 -6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.720 2.656 -3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.579 1.340 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.101 2.651 -3.136 1.00 0.00 H new ATOM 636 N GLN A 41 0.946 4.700 -6.990 1.00 0.00 N ATOM 637 CA GLN A 41 1.432 5.314 -8.221 1.00 0.00 C ATOM 638 C GLN A 41 2.835 4.806 -8.551 1.00 0.00 C ATOM 639 O GLN A 41 3.087 4.377 -9.678 1.00 0.00 O ATOM 640 CB GLN A 41 1.407 6.839 -8.090 1.00 0.00 C ATOM 641 CG GLN A 41 -0.034 7.365 -8.127 1.00 0.00 C ATOM 642 CD GLN A 41 -0.096 8.821 -7.685 1.00 0.00 C ATOM 643 OE1 GLN A 41 -0.382 9.714 -8.474 1.00 0.00 O ATOM 644 NE2 GLN A 41 0.173 9.060 -6.408 1.00 0.00 N ATOM 0 H GLN A 41 0.670 5.374 -6.276 1.00 0.00 H new ATOM 0 HA GLN A 41 0.775 5.034 -9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.884 7.136 -7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.984 7.288 -8.899 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.433 7.271 -9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.663 6.757 -7.477 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.407 8.289 -5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.146 10.015 -6.051 1.00 0.00 H new ATOM 653 N HIS A 42 3.733 4.829 -7.558 1.00 0.00 N ATOM 654 CA HIS A 42 5.086 4.317 -7.705 1.00 0.00 C ATOM 655 C HIS A 42 5.014 2.911 -8.289 1.00 0.00 C ATOM 656 O HIS A 42 5.673 2.629 -9.280 1.00 0.00 O ATOM 657 CB HIS A 42 5.837 4.308 -6.359 1.00 0.00 C ATOM 658 CG HIS A 42 7.139 3.538 -6.424 1.00 0.00 C ATOM 659 ND1 HIS A 42 8.335 4.034 -6.894 1.00 0.00 N ATOM 660 CD2 HIS A 42 7.240 2.170 -6.427 1.00 0.00 C ATOM 661 CE1 HIS A 42 9.119 2.986 -7.204 1.00 0.00 C ATOM 662 NE2 HIS A 42 8.482 1.831 -6.962 1.00 0.00 N ATOM 0 H HIS A 42 3.534 5.206 -6.631 1.00 0.00 H new ATOM 0 HA HIS A 42 5.643 4.971 -8.376 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.041 5.334 -6.054 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.197 3.869 -5.593 1.00 0.00 H new ATOM 0 HD1 HIS A 42 8.582 5.019 -6.990 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.489 1.477 -6.076 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.123 3.064 -7.594 1.00 0.00 H new ATOM 670 N THR A 43 4.231 2.031 -7.666 1.00 0.00 N ATOM 671 CA THR A 43 4.123 0.651 -8.101 1.00 0.00 C ATOM 672 C THR A 43 3.655 0.556 -9.548 1.00 0.00 C ATOM 673 O THR A 43 4.283 -0.132 -10.349 1.00 0.00 O ATOM 674 CB THR A 43 3.239 -0.151 -7.142 1.00 0.00 C ATOM 675 OG1 THR A 43 3.784 -0.075 -5.840 1.00 0.00 O ATOM 676 CG2 THR A 43 3.181 -1.610 -7.601 1.00 0.00 C ATOM 0 H THR A 43 3.660 2.258 -6.852 1.00 0.00 H new ATOM 0 HA THR A 43 5.116 0.203 -8.072 1.00 0.00 H new ATOM 0 HB THR A 43 2.229 0.259 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.600 0.809 -5.460 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.552 -2.181 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.763 -1.659 -8.607 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.187 -2.030 -7.605 1.00 0.00 H new ATOM 684 N LYS A 44 2.560 1.236 -9.893 1.00 0.00 N ATOM 685 CA LYS A 44 2.054 1.220 -11.259 1.00 0.00 C ATOM 686 C LYS A 44 3.143 1.656 -12.250 1.00 0.00 C ATOM 687 O LYS A 44 3.335 1.012 -13.280 1.00 0.00 O ATOM 688 CB LYS A 44 0.808 2.106 -11.386 1.00 0.00 C ATOM 689 CG LYS A 44 -0.375 1.535 -10.591 1.00 0.00 C ATOM 690 CD LYS A 44 -1.693 2.249 -10.919 1.00 0.00 C ATOM 691 CE LYS A 44 -1.640 3.748 -10.604 1.00 0.00 C ATOM 692 NZ LYS A 44 -2.961 4.378 -10.771 1.00 0.00 N ATOM 0 H LYS A 44 2.011 1.801 -9.245 1.00 0.00 H new ATOM 0 HA LYS A 44 1.768 0.197 -11.505 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.037 3.110 -11.028 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.531 2.197 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.476 0.472 -10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.171 1.625 -9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.925 2.110 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.503 1.790 -10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.292 3.895 -9.582 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.918 4.234 -11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.892 5.392 -10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.281 4.258 -11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.643 3.929 -10.127 1.00 0.00 H new ATOM 706 N GLY A 45 3.855 2.745 -11.946 1.00 0.00 N ATOM 707 CA GLY A 45 4.910 3.258 -12.810 1.00 0.00 C ATOM 708 C GLY A 45 6.117 2.318 -12.903 1.00 0.00 C ATOM 709 O GLY A 45 6.674 2.100 -13.978 1.00 0.00 O ATOM 0 H GLY A 45 3.713 3.291 -11.096 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.506 3.422 -13.809 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.239 4.227 -12.436 1.00 0.00 H new ATOM 713 N CYS A 46 6.552 1.799 -11.756 1.00 0.00 N ATOM 714 CA CYS A 46 7.711 0.945 -11.597 1.00 0.00 C ATOM 715 C CYS A 46 7.536 -0.384 -12.328 1.00 0.00 C ATOM 716 O CYS A 46 7.108 -1.376 -11.743 1.00 0.00 O ATOM 717 CB CYS A 46 7.992 0.736 -10.104 1.00 0.00 C ATOM 718 SG CYS A 46 9.475 -0.234 -9.712 1.00 0.00 S ATOM 0 H CYS A 46 6.076 1.976 -10.872 1.00 0.00 H new ATOM 0 HA CYS A 46 8.572 1.436 -12.050 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.083 1.713 -9.630 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.129 0.244 -9.656 1.00 0.00 H new ATOM 723 N LYS A 47 7.916 -0.430 -13.606 1.00 0.00 N ATOM 724 CA LYS A 47 7.863 -1.640 -14.419 1.00 0.00 C ATOM 725 C LYS A 47 8.594 -2.794 -13.720 1.00 0.00 C ATOM 726 O LYS A 47 8.203 -3.951 -13.841 1.00 0.00 O ATOM 727 CB LYS A 47 8.461 -1.357 -15.803 1.00 0.00 C ATOM 728 CG LYS A 47 7.658 -0.285 -16.555 1.00 0.00 C ATOM 729 CD LYS A 47 8.223 -0.093 -17.968 1.00 0.00 C ATOM 730 CE LYS A 47 7.532 1.064 -18.702 1.00 0.00 C ATOM 731 NZ LYS A 47 6.089 0.827 -18.876 1.00 0.00 N ATOM 0 H LYS A 47 8.273 0.383 -14.109 1.00 0.00 H new ATOM 0 HA LYS A 47 6.823 -1.942 -14.546 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.495 -1.029 -15.694 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.479 -2.277 -16.388 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.610 -0.579 -16.612 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.696 0.658 -16.009 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.294 0.101 -17.909 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.097 -1.013 -18.539 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.682 1.988 -18.144 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.997 1.202 -19.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.678 1.591 -19.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.942 -0.083 -19.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.626 0.805 -17.945 1.00 0.00 H new ATOM 745 N ARG A 48 9.642 -2.467 -12.954 1.00 0.00 N ATOM 746 CA ARG A 48 10.426 -3.433 -12.195 1.00 0.00 C ATOM 747 C ARG A 48 9.699 -3.995 -10.962 1.00 0.00 C ATOM 748 O ARG A 48 10.315 -4.755 -10.213 1.00 0.00 O ATOM 749 CB ARG A 48 11.775 -2.810 -11.802 1.00 0.00 C ATOM 750 CG ARG A 48 12.683 -2.511 -13.003 1.00 0.00 C ATOM 751 CD ARG A 48 13.124 -3.792 -13.721 1.00 0.00 C ATOM 752 NE ARG A 48 14.194 -3.523 -14.689 1.00 0.00 N ATOM 753 CZ ARG A 48 14.814 -4.472 -15.405 1.00 0.00 C ATOM 754 NH1 ARG A 48 14.461 -5.758 -15.286 1.00 0.00 N ATOM 755 NH2 ARG A 48 15.795 -4.127 -16.245 1.00 0.00 N ATOM 0 H ARG A 48 9.969 -1.507 -12.846 1.00 0.00 H new ATOM 0 HA ARG A 48 10.588 -4.290 -12.849 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.594 -1.885 -11.254 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.295 -3.486 -11.123 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.155 -1.865 -13.705 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.563 -1.963 -12.665 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.469 -4.521 -12.988 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.271 -4.235 -14.234 1.00 0.00 H new ATOM 0 HE ARG A 48 14.484 -2.555 -14.825 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.713 -6.024 -14.645 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.940 -6.471 -15.836 1.00 0.00 H new ATOM 0 HH21 ARG A 48 16.067 -3.148 -16.337 1.00 0.00 H new ATOM 0 HH22 ARG A 48 16.272 -4.843 -16.793 1.00 0.00 H new ATOM 769 N LYS A 49 8.425 -3.649 -10.729 1.00 0.00 N ATOM 770 CA LYS A 49 7.635 -4.151 -9.610 1.00 0.00 C ATOM 771 C LYS A 49 7.801 -5.665 -9.449 1.00 0.00 C ATOM 772 O LYS A 49 7.418 -6.434 -10.327 1.00 0.00 O ATOM 773 CB LYS A 49 6.160 -3.738 -9.761 1.00 0.00 C ATOM 774 CG LYS A 49 5.504 -4.106 -11.102 1.00 0.00 C ATOM 775 CD LYS A 49 4.058 -3.585 -11.142 1.00 0.00 C ATOM 776 CE LYS A 49 3.708 -2.972 -12.502 1.00 0.00 C ATOM 777 NZ LYS A 49 4.415 -1.695 -12.708 1.00 0.00 N ATOM 0 H LYS A 49 7.911 -3.001 -11.326 1.00 0.00 H new ATOM 0 HA LYS A 49 8.008 -3.697 -8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.587 -4.200 -8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.087 -2.659 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.076 -3.678 -11.925 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.513 -5.188 -11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.371 -4.403 -10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.920 -2.838 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.972 -3.669 -13.297 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.632 -2.809 -12.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.059 -1.236 -13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.251 -1.072 -11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.435 -1.875 -12.807 1.00 0.00 H new ATOM 791 N THR A 50 8.412 -6.104 -8.345 1.00 0.00 N ATOM 792 CA THR A 50 8.715 -7.504 -8.045 1.00 0.00 C ATOM 793 C THR A 50 9.871 -8.029 -8.907 1.00 0.00 C ATOM 794 O THR A 50 10.810 -8.617 -8.377 1.00 0.00 O ATOM 795 CB THR A 50 7.470 -8.405 -8.150 1.00 0.00 C ATOM 796 OG1 THR A 50 6.346 -7.740 -7.617 1.00 0.00 O ATOM 797 CG2 THR A 50 7.662 -9.705 -7.364 1.00 0.00 C ATOM 0 H THR A 50 8.720 -5.469 -7.609 1.00 0.00 H new ATOM 0 HA THR A 50 9.041 -7.541 -7.006 1.00 0.00 H new ATOM 0 HB THR A 50 7.320 -8.633 -9.205 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.559 -8.319 -7.689 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.768 -10.321 -7.456 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.519 -10.248 -7.762 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.836 -9.473 -6.313 1.00 0.00 H new ATOM 805 N ASN A 51 9.817 -7.807 -10.223 1.00 0.00 N ATOM 806 CA ASN A 51 10.823 -8.236 -11.191 1.00 0.00 C ATOM 807 C ASN A 51 12.236 -7.878 -10.733 1.00 0.00 C ATOM 808 O ASN A 51 13.117 -8.732 -10.724 1.00 0.00 O ATOM 809 CB ASN A 51 10.517 -7.613 -12.557 1.00 0.00 C ATOM 810 CG ASN A 51 11.660 -7.835 -13.542 1.00 0.00 C ATOM 811 OD1 ASN A 51 12.427 -6.919 -13.828 1.00 0.00 O ATOM 812 ND2 ASN A 51 11.791 -9.048 -14.068 1.00 0.00 N ATOM 0 H ASN A 51 9.042 -7.305 -10.657 1.00 0.00 H new ATOM 0 HA ASN A 51 10.781 -9.322 -11.274 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.601 -8.046 -12.958 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.340 -6.544 -12.439 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.544 -9.239 -14.729 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.138 -9.789 -13.811 1.00 0.00 H new ATOM 819 N GLY A 52 12.445 -6.621 -10.334 1.00 0.00 N ATOM 820 CA GLY A 52 13.728 -6.147 -9.836 1.00 0.00 C ATOM 821 C GLY A 52 13.757 -6.137 -8.308 1.00 0.00 C ATOM 822 O GLY A 52 14.473 -5.332 -7.719 1.00 0.00 O ATOM 0 H GLY A 52 11.721 -5.903 -10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 52 14.526 -6.786 -10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.919 -5.142 -10.213 1.00 0.00 H new ATOM 826 N GLY A 53 12.972 -7.008 -7.662 1.00 0.00 N ATOM 827 CA GLY A 53 12.874 -7.108 -6.211 1.00 0.00 C ATOM 828 C GLY A 53 12.611 -5.754 -5.553 1.00 0.00 C ATOM 829 O GLY A 53 13.136 -5.478 -4.477 1.00 0.00 O ATOM 0 H GLY A 53 12.376 -7.676 -8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.072 -7.798 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.798 -7.529 -5.815 1.00 0.00 H new ATOM 833 N CYS A 54 11.809 -4.898 -6.197 1.00 0.00 N ATOM 834 CA CYS A 54 11.541 -3.566 -5.676 1.00 0.00 C ATOM 835 C CYS A 54 10.832 -3.657 -4.315 1.00 0.00 C ATOM 836 O CYS A 54 9.729 -4.208 -4.254 1.00 0.00 O ATOM 837 CB CYS A 54 10.724 -2.754 -6.682 1.00 0.00 C ATOM 838 SG CYS A 54 10.606 -1.010 -6.195 1.00 0.00 S ATOM 0 H CYS A 54 11.339 -5.110 -7.077 1.00 0.00 H new ATOM 0 HA CYS A 54 12.488 -3.048 -5.524 1.00 0.00 H new ATOM 0 HB2 CYS A 54 11.184 -2.827 -7.668 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.723 -3.178 -6.765 1.00 0.00 H new ATOM 843 N PRO A 55 11.424 -3.137 -3.223 1.00 0.00 N ATOM 844 CA PRO A 55 10.853 -3.247 -1.889 1.00 0.00 C ATOM 845 C PRO A 55 9.498 -2.551 -1.774 1.00 0.00 C ATOM 846 O PRO A 55 8.572 -3.116 -1.201 1.00 0.00 O ATOM 847 CB PRO A 55 11.896 -2.669 -0.928 1.00 0.00 C ATOM 848 CG PRO A 55 12.736 -1.745 -1.808 1.00 0.00 C ATOM 849 CD PRO A 55 12.700 -2.437 -3.170 1.00 0.00 C ATOM 0 HA PRO A 55 10.640 -4.287 -1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.426 -2.123 -0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.504 -3.454 -0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.315 -0.741 -1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 55 13.755 -1.647 -1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.783 -1.712 -3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 55 13.533 -3.132 -3.278 1.00 0.00 H new ATOM 857 N VAL A 56 9.372 -1.335 -2.311 1.00 0.00 N ATOM 858 CA VAL A 56 8.126 -0.575 -2.260 1.00 0.00 C ATOM 859 C VAL A 56 6.985 -1.407 -2.853 1.00 0.00 C ATOM 860 O VAL A 56 5.953 -1.630 -2.216 1.00 0.00 O ATOM 861 CB VAL A 56 8.302 0.761 -3.007 1.00 0.00 C ATOM 862 CG1 VAL A 56 6.982 1.540 -3.054 1.00 0.00 C ATOM 863 CG2 VAL A 56 9.367 1.633 -2.328 1.00 0.00 C ATOM 0 H VAL A 56 10.131 -0.852 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 56 7.872 -0.351 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 56 8.620 0.524 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.133 2.479 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.228 0.947 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.646 1.749 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.472 2.570 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.065 1.843 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.321 1.106 -2.325 1.00 0.00 H new ATOM 873 N CYS A 57 7.185 -1.869 -4.088 1.00 0.00 N ATOM 874 CA CYS A 57 6.183 -2.660 -4.778 1.00 0.00 C ATOM 875 C CYS A 57 5.910 -3.950 -4.014 1.00 0.00 C ATOM 876 O CYS A 57 4.753 -4.294 -3.796 1.00 0.00 O ATOM 877 CB CYS A 57 6.622 -2.958 -6.209 1.00 0.00 C ATOM 878 SG CYS A 57 7.084 -1.505 -7.180 1.00 0.00 S ATOM 0 H CYS A 57 8.036 -1.705 -4.626 1.00 0.00 H new ATOM 0 HA CYS A 57 5.258 -2.085 -4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.470 -3.642 -6.179 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.812 -3.477 -6.722 1.00 0.00 H new ATOM 883 N LYS A 58 6.963 -4.660 -3.597 1.00 0.00 N ATOM 884 CA LYS A 58 6.806 -5.892 -2.839 1.00 0.00 C ATOM 885 C LYS A 58 5.940 -5.640 -1.599 1.00 0.00 C ATOM 886 O LYS A 58 5.030 -6.415 -1.313 1.00 0.00 O ATOM 887 CB LYS A 58 8.186 -6.467 -2.488 1.00 0.00 C ATOM 888 CG LYS A 58 8.132 -7.786 -1.703 1.00 0.00 C ATOM 889 CD LYS A 58 7.389 -8.891 -2.470 1.00 0.00 C ATOM 890 CE LYS A 58 7.536 -10.253 -1.782 1.00 0.00 C ATOM 891 NZ LYS A 58 6.933 -10.256 -0.437 1.00 0.00 N ATOM 0 H LYS A 58 7.932 -4.397 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 58 6.289 -6.637 -3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.747 -6.627 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.737 -5.730 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.147 -8.118 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.639 -7.617 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.333 -8.634 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.777 -8.953 -3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.064 -11.022 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.593 -10.510 -1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.978 -11.216 -0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.455 -9.601 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.940 -9.954 -0.501 1.00 0.00 H new ATOM 905 N GLN A 59 6.204 -4.550 -0.875 1.00 0.00 N ATOM 906 CA GLN A 59 5.440 -4.173 0.304 1.00 0.00 C ATOM 907 C GLN A 59 3.978 -3.943 -0.075 1.00 0.00 C ATOM 908 O GLN A 59 3.088 -4.461 0.604 1.00 0.00 O ATOM 909 CB GLN A 59 6.081 -2.951 0.981 1.00 0.00 C ATOM 910 CG GLN A 59 5.478 -2.617 2.356 1.00 0.00 C ATOM 911 CD GLN A 59 4.321 -1.619 2.295 1.00 0.00 C ATOM 912 OE1 GLN A 59 4.523 -0.421 2.464 1.00 0.00 O ATOM 913 NE2 GLN A 59 3.098 -2.084 2.062 1.00 0.00 N ATOM 0 H GLN A 59 6.961 -3.903 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 59 5.457 -4.983 1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.150 -3.130 1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.972 -2.086 0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.127 -3.538 2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.261 -2.213 2.998 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.950 -3.084 1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.307 -1.441 2.021 1.00 0.00 H new ATOM 922 N LEU A 60 3.713 -3.164 -1.129 1.00 0.00 N ATOM 923 CA LEU A 60 2.340 -2.910 -1.555 1.00 0.00 C ATOM 924 C LEU A 60 1.647 -4.235 -1.875 1.00 0.00 C ATOM 925 O LEU A 60 0.548 -4.496 -1.397 1.00 0.00 O ATOM 926 CB LEU A 60 2.300 -1.964 -2.764 1.00 0.00 C ATOM 927 CG LEU A 60 0.860 -1.650 -3.227 1.00 0.00 C ATOM 928 CD1 LEU A 60 0.074 -0.789 -2.232 1.00 0.00 C ATOM 929 CD2 LEU A 60 0.900 -0.912 -4.563 1.00 0.00 C ATOM 0 H LEU A 60 4.426 -2.704 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 60 1.807 -2.419 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.806 -1.033 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.853 -2.412 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 60 0.352 -2.611 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.928 -0.607 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.004 -1.309 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.586 0.163 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.117 -0.692 -4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.454 0.020 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.392 -1.536 -5.309 1.00 0.00 H new ATOM 941 N ILE A 61 2.296 -5.078 -2.678 1.00 0.00 N ATOM 942 CA ILE A 61 1.770 -6.374 -3.073 1.00 0.00 C ATOM 943 C ILE A 61 1.488 -7.226 -1.833 1.00 0.00 C ATOM 944 O ILE A 61 0.427 -7.833 -1.735 1.00 0.00 O ATOM 945 CB ILE A 61 2.715 -7.035 -4.093 1.00 0.00 C ATOM 946 CG1 ILE A 61 2.674 -6.224 -5.405 1.00 0.00 C ATOM 947 CG2 ILE A 61 2.304 -8.489 -4.365 1.00 0.00 C ATOM 948 CD1 ILE A 61 3.846 -6.546 -6.333 1.00 0.00 C ATOM 0 H ILE A 61 3.213 -4.873 -3.075 1.00 0.00 H new ATOM 0 HA ILE A 61 0.812 -6.260 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 61 3.726 -7.044 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.738 -6.428 -5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.683 -5.160 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.989 -8.931 -5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.341 -9.058 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.290 -8.512 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.767 -5.947 -7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.784 -6.316 -5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.824 -7.604 -6.594 1.00 0.00 H new ATOM 960 N ALA A 62 2.409 -7.269 -0.871 1.00 0.00 N ATOM 961 CA ALA A 62 2.219 -8.019 0.362 1.00 0.00 C ATOM 962 C ALA A 62 1.023 -7.478 1.154 1.00 0.00 C ATOM 963 O ALA A 62 0.199 -8.250 1.640 1.00 0.00 O ATOM 964 CB ALA A 62 3.504 -7.970 1.186 1.00 0.00 C ATOM 0 H ALA A 62 3.305 -6.785 -0.928 1.00 0.00 H new ATOM 0 HA ALA A 62 1.998 -9.059 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.365 -8.531 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.320 -8.410 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.745 -6.934 1.423 1.00 0.00 H new ATOM 970 N LEU A 63 0.907 -6.152 1.272 1.00 0.00 N ATOM 971 CA LEU A 63 -0.217 -5.518 1.954 1.00 0.00 C ATOM 972 C LEU A 63 -1.516 -5.942 1.260 1.00 0.00 C ATOM 973 O LEU A 63 -2.445 -6.433 1.901 1.00 0.00 O ATOM 974 CB LEU A 63 -0.011 -3.996 1.954 1.00 0.00 C ATOM 975 CG LEU A 63 -1.141 -3.199 2.623 1.00 0.00 C ATOM 976 CD1 LEU A 63 -1.243 -3.513 4.118 1.00 0.00 C ATOM 977 CD2 LEU A 63 -0.867 -1.701 2.437 1.00 0.00 C ATOM 0 H LEU A 63 1.589 -5.493 0.898 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.281 -5.835 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.926 -3.769 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.095 -3.657 0.924 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.085 -3.480 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.053 -2.931 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.445 -4.576 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.304 -3.256 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.663 -1.124 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.087 -1.446 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.830 -1.467 1.373 1.00 0.00 H new ATOM 989 N CYS A 64 -1.553 -5.785 -0.065 1.00 0.00 N ATOM 990 CA CYS A 64 -2.661 -6.188 -0.924 1.00 0.00 C ATOM 991 C CYS A 64 -2.978 -7.666 -0.698 1.00 0.00 C ATOM 992 O CYS A 64 -4.143 -8.043 -0.650 1.00 0.00 O ATOM 993 CB CYS A 64 -2.301 -5.950 -2.395 1.00 0.00 C ATOM 994 SG CYS A 64 -2.567 -4.224 -2.880 1.00 0.00 S ATOM 0 H CYS A 64 -0.785 -5.359 -0.584 1.00 0.00 H new ATOM 0 HA CYS A 64 -3.538 -5.591 -0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.258 -6.218 -2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.903 -6.603 -3.027 1.00 0.00 H new ATOM 0 HG CYS A 64 -3.478 -4.169 -3.806 1.00 0.00 H new ATOM 1000 N CYS A 65 -1.951 -8.509 -0.570 1.00 0.00 N ATOM 1001 CA CYS A 65 -2.091 -9.943 -0.330 1.00 0.00 C ATOM 1002 C CYS A 65 -2.809 -10.203 0.986 1.00 0.00 C ATOM 1003 O CYS A 65 -3.883 -10.801 1.009 1.00 0.00 O ATOM 1004 CB CYS A 65 -0.726 -10.634 -0.296 1.00 0.00 C ATOM 1005 SG CYS A 65 -1.020 -12.416 -0.342 1.00 0.00 S ATOM 0 H CYS A 65 -0.979 -8.205 -0.632 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.678 -10.352 -1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.118 -10.324 -1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -0.179 -10.359 0.606 1.00 0.00 H new ATOM 0 HG CYS A 65 0.118 -13.044 -0.317 1.00 0.00 H new ATOM 1011 N TYR A 66 -2.214 -9.726 2.082 1.00 0.00 N ATOM 1012 CA TYR A 66 -2.789 -9.859 3.419 1.00 0.00 C ATOM 1013 C TYR A 66 -4.234 -9.347 3.411 1.00 0.00 C ATOM 1014 O TYR A 66 -5.130 -9.989 3.950 1.00 0.00 O ATOM 1015 CB TYR A 66 -1.924 -9.143 4.463 1.00 0.00 C ATOM 1016 CG TYR A 66 -2.497 -9.220 5.864 1.00 0.00 C ATOM 1017 CD1 TYR A 66 -2.535 -10.432 6.576 1.00 0.00 C ATOM 1018 CD2 TYR A 66 -3.075 -8.072 6.421 1.00 0.00 C ATOM 1019 CE1 TYR A 66 -3.115 -10.471 7.857 1.00 0.00 C ATOM 1020 CE2 TYR A 66 -3.669 -8.108 7.689 1.00 0.00 C ATOM 1021 CZ TYR A 66 -3.697 -9.314 8.409 1.00 0.00 C ATOM 1022 OH TYR A 66 -4.194 -9.338 9.680 1.00 0.00 O ATOM 0 H TYR A 66 -1.319 -9.237 2.065 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.807 -10.912 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.926 -9.581 4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.814 -8.096 4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.121 -11.329 6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.062 -7.146 5.865 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.114 -11.393 8.420 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.103 -7.214 8.111 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.958 -8.728 9.744 1.00 0.00 H new ATOM 1032 N HIS A 67 -4.474 -8.207 2.766 1.00 0.00 N ATOM 1033 CA HIS A 67 -5.812 -7.663 2.619 1.00 0.00 C ATOM 1034 C HIS A 67 -6.723 -8.678 1.904 1.00 0.00 C ATOM 1035 O HIS A 67 -7.738 -9.104 2.454 1.00 0.00 O ATOM 1036 CB HIS A 67 -5.707 -6.321 1.881 1.00 0.00 C ATOM 1037 CG HIS A 67 -7.037 -5.762 1.473 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -7.901 -5.053 2.275 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -7.702 -6.091 0.327 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -9.068 -4.958 1.619 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -8.999 -5.600 0.442 1.00 0.00 N ATOM 0 H HIS A 67 -3.745 -7.640 2.334 1.00 0.00 H new ATOM 0 HA HIS A 67 -6.271 -7.479 3.591 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.199 -5.601 2.522 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.087 -6.450 0.994 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.693 -4.670 3.197 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.296 -6.633 -0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.940 -4.438 1.986 1.00 0.00 H new ATOM 1049 N ALA A 68 -6.356 -9.059 0.677 1.00 0.00 N ATOM 1050 CA ALA A 68 -7.077 -9.994 -0.179 1.00 0.00 C ATOM 1051 C ALA A 68 -7.405 -11.298 0.544 1.00 0.00 C ATOM 1052 O ALA A 68 -8.472 -11.867 0.340 1.00 0.00 O ATOM 1053 CB ALA A 68 -6.260 -10.271 -1.445 1.00 0.00 C ATOM 0 H ALA A 68 -5.507 -8.705 0.236 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.027 -9.534 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.802 -10.970 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.098 -9.338 -1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.298 -10.702 -1.170 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.481 -11.768 1.381 1.00 0.00 N ATOM 1060 CA LYS A 69 -6.629 -12.980 2.169 1.00 0.00 C ATOM 1061 C LYS A 69 -7.903 -12.937 3.024 1.00 0.00 C ATOM 1062 O LYS A 69 -8.510 -13.979 3.262 1.00 0.00 O ATOM 1063 CB LYS A 69 -5.362 -13.143 3.020 1.00 0.00 C ATOM 1064 CG LYS A 69 -5.253 -14.477 3.761 1.00 0.00 C ATOM 1065 CD LYS A 69 -3.993 -14.487 4.642 1.00 0.00 C ATOM 1066 CE LYS A 69 -2.673 -14.392 3.862 1.00 0.00 C ATOM 1067 NZ LYS A 69 -2.570 -15.419 2.810 1.00 0.00 N ATOM 0 H LYS A 69 -5.587 -11.300 1.530 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.740 -13.846 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.491 -13.030 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.325 -12.334 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.139 -14.634 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.213 -15.298 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.048 -13.654 5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.986 -15.402 5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.591 -13.403 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.837 -14.498 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.624 -15.381 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.723 -16.359 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.290 -15.242 2.080 1.00 0.00 H new ATOM 1081 N HIS A 70 -8.300 -11.748 3.497 1.00 0.00 N ATOM 1082 CA HIS A 70 -9.488 -11.569 4.326 1.00 0.00 C ATOM 1083 C HIS A 70 -10.664 -11.005 3.524 1.00 0.00 C ATOM 1084 O HIS A 70 -11.798 -11.445 3.695 1.00 0.00 O ATOM 1085 CB HIS A 70 -9.128 -10.682 5.519 1.00 0.00 C ATOM 1086 CG HIS A 70 -8.015 -11.278 6.345 1.00 0.00 C ATOM 1087 ND1 HIS A 70 -8.026 -12.525 6.927 1.00 0.00 N ATOM 1088 CD2 HIS A 70 -6.765 -10.750 6.522 1.00 0.00 C ATOM 1089 CE1 HIS A 70 -6.812 -12.731 7.463 1.00 0.00 C ATOM 1090 NE2 HIS A 70 -6.009 -11.679 7.245 1.00 0.00 N ATOM 0 H HIS A 70 -7.798 -10.880 3.311 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.819 -12.541 4.693 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.828 -9.697 5.162 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.009 -10.540 6.145 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.423 -9.789 6.167 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.521 -13.623 7.997 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.040 -11.577 7.546 1.00 0.00 H new ATOM 1098 N CYS A 71 -10.408 -10.024 2.656 1.00 0.00 N ATOM 1099 CA CYS A 71 -11.430 -9.400 1.824 1.00 0.00 C ATOM 1100 C CYS A 71 -12.093 -10.433 0.909 1.00 0.00 C ATOM 1101 O CYS A 71 -11.437 -11.368 0.461 1.00 0.00 O ATOM 1102 CB CYS A 71 -10.774 -8.295 0.991 1.00 0.00 C ATOM 1103 SG CYS A 71 -11.825 -7.545 -0.277 1.00 0.00 S ATOM 0 H CYS A 71 -9.474 -9.639 2.512 1.00 0.00 H new ATOM 0 HA CYS A 71 -12.206 -8.975 2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.433 -7.510 1.666 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.888 -8.707 0.507 1.00 0.00 H new ATOM 1108 N GLN A 72 -13.389 -10.273 0.620 1.00 0.00 N ATOM 1109 CA GLN A 72 -14.136 -11.172 -0.261 1.00 0.00 C ATOM 1110 C GLN A 72 -14.865 -10.405 -1.375 1.00 0.00 C ATOM 1111 O GLN A 72 -15.503 -11.021 -2.225 1.00 0.00 O ATOM 1112 CB GLN A 72 -15.136 -11.982 0.578 1.00 0.00 C ATOM 1113 CG GLN A 72 -14.481 -12.870 1.650 1.00 0.00 C ATOM 1114 CD GLN A 72 -13.761 -14.085 1.065 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -14.341 -15.161 0.969 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -12.499 -13.941 0.670 1.00 0.00 N ATOM 0 H GLN A 72 -13.952 -9.509 0.995 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.430 -11.845 -0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -15.827 -11.294 1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -15.727 -12.611 -0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -13.769 -12.274 2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.246 -13.210 2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.037 -13.036 0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.994 -14.735 0.278 1.00 0.00 H new ATOM 1125 N GLU A 73 -14.810 -9.069 -1.373 1.00 0.00 N ATOM 1126 CA GLU A 73 -15.540 -8.246 -2.320 1.00 0.00 C ATOM 1127 C GLU A 73 -15.047 -8.485 -3.752 1.00 0.00 C ATOM 1128 O GLU A 73 -13.878 -8.250 -4.061 1.00 0.00 O ATOM 1129 CB GLU A 73 -15.512 -6.747 -1.954 1.00 0.00 C ATOM 1130 CG GLU A 73 -15.334 -6.366 -0.471 1.00 0.00 C ATOM 1131 CD GLU A 73 -16.034 -7.286 0.526 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -17.280 -7.212 0.599 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -15.297 -8.059 1.182 1.00 0.00 O ATOM 0 H GLU A 73 -14.253 -8.533 -0.708 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.584 -8.554 -2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.704 -6.281 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.443 -6.301 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.269 -6.352 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.705 -5.351 -0.326 1.00 0.00 H new ATOM 1140 N ASN A 74 -15.948 -8.915 -4.639 1.00 0.00 N ATOM 1141 CA ASN A 74 -15.644 -9.175 -6.043 1.00 0.00 C ATOM 1142 C ASN A 74 -15.428 -7.896 -6.861 1.00 0.00 C ATOM 1143 O ASN A 74 -15.098 -7.989 -8.041 1.00 0.00 O ATOM 1144 CB ASN A 74 -16.731 -10.056 -6.678 1.00 0.00 C ATOM 1145 CG ASN A 74 -18.077 -9.347 -6.810 1.00 0.00 C ATOM 1146 OD1 ASN A 74 -18.370 -8.407 -6.078 1.00 0.00 O ATOM 1147 ND2 ASN A 74 -18.917 -9.793 -7.740 1.00 0.00 N ATOM 0 H ASN A 74 -16.922 -9.094 -4.396 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.696 -9.712 -6.061 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.399 -10.378 -7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.859 -10.955 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -19.829 -9.352 -7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -18.649 -10.576 -8.336 1.00 0.00 H new ATOM 1154 N LYS A 75 -15.598 -6.714 -6.257 1.00 0.00 N ATOM 1155 CA LYS A 75 -15.372 -5.419 -6.891 1.00 0.00 C ATOM 1156 C LYS A 75 -14.643 -4.506 -5.900 1.00 0.00 C ATOM 1157 O LYS A 75 -15.014 -3.353 -5.703 1.00 0.00 O ATOM 1158 CB LYS A 75 -16.705 -4.811 -7.359 1.00 0.00 C ATOM 1159 CG LYS A 75 -17.398 -5.690 -8.406 1.00 0.00 C ATOM 1160 CD LYS A 75 -18.636 -4.977 -8.963 1.00 0.00 C ATOM 1161 CE LYS A 75 -19.302 -5.793 -10.079 1.00 0.00 C ATOM 1162 NZ LYS A 75 -19.787 -7.096 -9.594 1.00 0.00 N ATOM 0 H LYS A 75 -15.905 -6.635 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.749 -5.538 -7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -17.365 -4.679 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.525 -3.821 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.705 -5.917 -9.216 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.688 -6.641 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -19.352 -4.807 -8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.351 -3.998 -9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.136 -5.227 -10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.589 -5.950 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.333 -7.565 -10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.976 -7.692 -9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.395 -6.953 -8.762 1.00 0.00 H new ATOM 1176 N CYS A 76 -13.605 -5.036 -5.249 1.00 0.00 N ATOM 1177 CA CYS A 76 -12.843 -4.281 -4.268 1.00 0.00 C ATOM 1178 C CYS A 76 -12.039 -3.151 -4.934 1.00 0.00 C ATOM 1179 O CYS A 76 -11.262 -3.443 -5.840 1.00 0.00 O ATOM 1180 CB CYS A 76 -11.884 -5.206 -3.514 1.00 0.00 C ATOM 1181 SG CYS A 76 -11.095 -4.363 -2.127 1.00 0.00 S ATOM 0 H CYS A 76 -13.276 -5.991 -5.389 1.00 0.00 H new ATOM 0 HA CYS A 76 -13.553 -3.839 -3.569 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.430 -6.076 -3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.120 -5.574 -4.199 1.00 0.00 H new ATOM 1186 N PRO A 77 -12.173 -1.886 -4.491 1.00 0.00 N ATOM 1187 CA PRO A 77 -11.398 -0.767 -5.020 1.00 0.00 C ATOM 1188 C PRO A 77 -9.883 -1.010 -4.987 1.00 0.00 C ATOM 1189 O PRO A 77 -9.174 -0.604 -5.904 1.00 0.00 O ATOM 1190 CB PRO A 77 -11.759 0.439 -4.142 1.00 0.00 C ATOM 1191 CG PRO A 77 -13.150 0.096 -3.619 1.00 0.00 C ATOM 1192 CD PRO A 77 -13.086 -1.421 -3.456 1.00 0.00 C ATOM 0 HA PRO A 77 -11.641 -0.614 -6.071 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.046 0.571 -3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -11.763 1.366 -4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -13.361 0.596 -2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -13.930 0.395 -4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.726 -1.694 -2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.072 -1.870 -3.572 1.00 0.00 H new ATOM 1200 N VAL A 78 -9.385 -1.631 -3.912 1.00 0.00 N ATOM 1201 CA VAL A 78 -7.967 -1.893 -3.700 1.00 0.00 C ATOM 1202 C VAL A 78 -7.330 -2.607 -4.905 1.00 0.00 C ATOM 1203 O VAL A 78 -7.684 -3.757 -5.171 1.00 0.00 O ATOM 1204 CB VAL A 78 -7.770 -2.692 -2.395 1.00 0.00 C ATOM 1205 CG1 VAL A 78 -6.311 -3.129 -2.211 1.00 0.00 C ATOM 1206 CG2 VAL A 78 -8.161 -1.847 -1.174 1.00 0.00 C ATOM 0 H VAL A 78 -9.974 -1.971 -3.152 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.453 -0.937 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.409 -3.572 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.213 -3.689 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.012 -3.760 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.669 -2.249 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.014 -2.431 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.538 -0.953 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.209 -1.556 -1.253 1.00 0.00 H new ATOM 1216 N PRO A 79 -6.380 -1.973 -5.621 1.00 0.00 N ATOM 1217 CA PRO A 79 -5.671 -2.597 -6.728 1.00 0.00 C ATOM 1218 C PRO A 79 -5.063 -3.941 -6.316 1.00 0.00 C ATOM 1219 O PRO A 79 -4.806 -4.179 -5.137 1.00 0.00 O ATOM 1220 CB PRO A 79 -4.572 -1.611 -7.136 1.00 0.00 C ATOM 1221 CG PRO A 79 -5.137 -0.261 -6.701 1.00 0.00 C ATOM 1222 CD PRO A 79 -5.900 -0.614 -5.426 1.00 0.00 C ATOM 0 HA PRO A 79 -6.350 -2.808 -7.554 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.628 -1.832 -6.638 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.382 -1.641 -8.209 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.348 0.467 -6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.792 0.168 -7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.253 -0.549 -4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -6.729 0.075 -5.262 1.00 0.00 H new ATOM 1230 N PHE A 80 -4.844 -4.830 -7.287 1.00 0.00 N ATOM 1231 CA PHE A 80 -4.283 -6.164 -7.095 1.00 0.00 C ATOM 1232 C PHE A 80 -5.234 -7.130 -6.381 1.00 0.00 C ATOM 1233 O PHE A 80 -5.265 -8.296 -6.758 1.00 0.00 O ATOM 1234 CB PHE A 80 -2.904 -6.140 -6.418 1.00 0.00 C ATOM 1235 CG PHE A 80 -1.850 -5.340 -7.159 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -1.192 -5.909 -8.265 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -1.507 -4.044 -6.731 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -0.203 -5.180 -8.948 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -0.540 -3.304 -7.434 1.00 0.00 C ATOM 1240 CZ PHE A 80 0.112 -3.873 -8.542 1.00 0.00 C ATOM 0 H PHE A 80 -5.061 -4.631 -8.263 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.143 -6.553 -8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.014 -5.729 -5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.551 -7.165 -6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.447 -6.907 -8.590 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.987 -3.618 -5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.315 -5.625 -9.785 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.298 -2.298 -7.123 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.855 -3.305 -9.081 1.00 0.00 H new ATOM 1250 N CYS A 81 -5.992 -6.684 -5.369 1.00 0.00 N ATOM 1251 CA CYS A 81 -6.910 -7.509 -4.585 1.00 0.00 C ATOM 1252 C CYS A 81 -7.651 -8.534 -5.448 1.00 0.00 C ATOM 1253 O CYS A 81 -7.552 -9.738 -5.220 1.00 0.00 O ATOM 1254 CB CYS A 81 -7.899 -6.612 -3.827 1.00 0.00 C ATOM 1255 SG CYS A 81 -8.974 -7.486 -2.667 1.00 0.00 S ATOM 0 H CYS A 81 -5.980 -5.710 -5.068 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.318 -8.076 -3.867 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.337 -5.855 -3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.521 -6.086 -4.552 1.00 0.00 H new ATOM 1260 N LEU A 82 -8.377 -8.045 -6.456 1.00 0.00 N ATOM 1261 CA LEU A 82 -9.130 -8.871 -7.388 1.00 0.00 C ATOM 1262 C LEU A 82 -8.229 -9.937 -8.017 1.00 0.00 C ATOM 1263 O LEU A 82 -8.492 -11.130 -7.887 1.00 0.00 O ATOM 1264 CB LEU A 82 -9.768 -7.973 -8.457 1.00 0.00 C ATOM 1265 CG LEU A 82 -10.803 -6.991 -7.881 1.00 0.00 C ATOM 1266 CD1 LEU A 82 -11.323 -6.078 -8.995 1.00 0.00 C ATOM 1267 CD2 LEU A 82 -11.988 -7.733 -7.258 1.00 0.00 C ATOM 0 H LEU A 82 -8.456 -7.046 -6.646 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.922 -9.394 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.985 -7.410 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.249 -8.599 -9.209 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.311 -6.403 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.056 -5.384 -8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.492 -5.517 -9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.792 -6.682 -9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.701 -7.011 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.475 -8.343 -8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.632 -8.374 -6.451 1.00 0.00 H new ATOM 1279 N ASN A 83 -7.152 -9.504 -8.677 1.00 0.00 N ATOM 1280 CA ASN A 83 -6.192 -10.397 -9.318 1.00 0.00 C ATOM 1281 C ASN A 83 -5.678 -11.460 -8.346 1.00 0.00 C ATOM 1282 O ASN A 83 -5.600 -12.630 -8.704 1.00 0.00 O ATOM 1283 CB ASN A 83 -5.031 -9.592 -9.910 1.00 0.00 C ATOM 1284 CG ASN A 83 -3.978 -10.512 -10.523 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -2.885 -10.656 -9.985 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -4.290 -11.141 -11.651 1.00 0.00 N ATOM 0 H ASN A 83 -6.923 -8.516 -8.781 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.705 -10.917 -10.127 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.409 -8.909 -10.671 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.575 -8.980 -9.132 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.613 -11.763 -12.092 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.207 -11.002 -12.076 1.00 0.00 H new ATOM 1293 N ILE A 84 -5.337 -11.066 -7.118 1.00 0.00 N ATOM 1294 CA ILE A 84 -4.848 -11.983 -6.100 1.00 0.00 C ATOM 1295 C ILE A 84 -5.932 -13.011 -5.767 1.00 0.00 C ATOM 1296 O ILE A 84 -5.657 -14.209 -5.797 1.00 0.00 O ATOM 1297 CB ILE A 84 -4.333 -11.206 -4.872 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -3.082 -10.398 -5.273 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -3.995 -12.171 -3.725 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -2.631 -9.413 -4.192 1.00 0.00 C ATOM 0 H ILE A 84 -5.394 -10.097 -6.805 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.992 -12.541 -6.479 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.112 -10.527 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.266 -11.087 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.290 -9.850 -6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.633 -11.604 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.889 -12.727 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.223 -12.868 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.747 -8.876 -4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.432 -8.702 -3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.392 -9.959 -3.279 1.00 0.00 H new ATOM 1312 N LYS A 85 -7.159 -12.564 -5.469 1.00 0.00 N ATOM 1313 CA LYS A 85 -8.250 -13.483 -5.164 1.00 0.00 C ATOM 1314 C LYS A 85 -8.489 -14.450 -6.327 1.00 0.00 C ATOM 1315 O LYS A 85 -8.647 -15.649 -6.109 1.00 0.00 O ATOM 1316 CB LYS A 85 -9.536 -12.730 -4.791 1.00 0.00 C ATOM 1317 CG LYS A 85 -9.389 -11.975 -3.462 1.00 0.00 C ATOM 1318 CD LYS A 85 -10.741 -11.730 -2.778 1.00 0.00 C ATOM 1319 CE LYS A 85 -11.744 -10.939 -3.624 1.00 0.00 C ATOM 1320 NZ LYS A 85 -11.291 -9.562 -3.875 1.00 0.00 N ATOM 0 H LYS A 85 -7.415 -11.577 -5.434 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.956 -14.069 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.788 -12.025 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.363 -13.436 -4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.744 -12.544 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.897 -11.019 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.183 -12.692 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.570 -11.195 -1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.897 -11.449 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.708 -10.916 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.113 -8.926 -3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.650 -9.263 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.789 -9.522 -4.785 1.00 0.00 H new ATOM 1334 N HIS A 86 -8.505 -13.941 -7.564 1.00 0.00 N ATOM 1335 CA HIS A 86 -8.678 -14.775 -8.749 1.00 0.00 C ATOM 1336 C HIS A 86 -7.545 -15.803 -8.818 1.00 0.00 C ATOM 1337 O HIS A 86 -7.779 -16.995 -8.999 1.00 0.00 O ATOM 1338 CB HIS A 86 -8.720 -13.903 -10.010 1.00 0.00 C ATOM 1339 CG HIS A 86 -9.793 -12.842 -9.993 1.00 0.00 C ATOM 1340 ND1 HIS A 86 -10.909 -12.822 -9.185 1.00 0.00 N ATOM 1341 CD2 HIS A 86 -9.778 -11.669 -10.699 1.00 0.00 C ATOM 1342 CE1 HIS A 86 -11.552 -11.664 -9.412 1.00 0.00 C ATOM 1343 NE2 HIS A 86 -10.903 -10.929 -10.329 1.00 0.00 N ATOM 0 H HIS A 86 -8.399 -12.947 -7.767 1.00 0.00 H new ATOM 0 HA HIS A 86 -9.626 -15.310 -8.686 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -7.751 -13.421 -10.138 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -8.873 -14.545 -10.877 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -9.028 -11.369 -11.416 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.467 -11.365 -8.923 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.177 -10.013 -10.684 1.00 0.00 H new ATOM 1351 N LYS A 87 -6.307 -15.335 -8.651 1.00 0.00 N ATOM 1352 CA LYS A 87 -5.121 -16.170 -8.631 1.00 0.00 C ATOM 1353 C LYS A 87 -5.135 -16.991 -7.340 1.00 0.00 C ATOM 1354 O LYS A 87 -4.406 -17.975 -7.218 1.00 0.00 O ATOM 1355 CB LYS A 87 -3.888 -15.261 -8.731 1.00 0.00 C ATOM 1356 CG LYS A 87 -2.573 -16.026 -8.914 1.00 0.00 C ATOM 1357 CD LYS A 87 -1.404 -15.112 -9.316 1.00 0.00 C ATOM 1358 CE LYS A 87 -1.063 -14.034 -8.275 1.00 0.00 C ATOM 1359 NZ LYS A 87 -1.907 -12.831 -8.404 1.00 0.00 N ATOM 0 H LYS A 87 -6.104 -14.343 -8.524 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.095 -16.864 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.019 -14.576 -9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.822 -14.653 -7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.324 -16.539 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.707 -16.793 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.520 -15.726 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.646 -14.626 -10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.181 -14.450 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.016 -13.751 -8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.354 -12.064 -8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.729 -13.046 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.234 -12.534 -7.463 1.00 0.00 H new TER 1373 LYS A 87 HETATM 1374 ZN ZN A 88 -7.466 10.507 1.685 1.00 0.00 ZN HETATM 1375 ZN ZN A 89 8.915 -0.157 -7.482 1.00 0.00 ZN HETATM 1376 ZN ZN A 90 -10.177 -6.224 -1.165 1.00 0.00 ZN