USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 553 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+ 136:sc= 0.00639 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.539 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.0359 (180deg=-0.253) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0259) USER MOD Single : A 13 HIS : no HD1:sc= -0.33 K(o=-0.33,f=-1.1) USER MOD Single : A 18 SER OG : rot -120:sc= 0.00329 USER MOD Single : A 19 GLN : amide:sc= -7.13! C(o=-7.1!,f=-6.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -54:sc= 0.0238 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0511 USER MOD Single : A 41 MET CE :methyl -161:sc= -3.68! (180deg=-4.63!) USER MOD Single : A 44 LYS NZ :NH3+ 148:sc= -0.207 (180deg=-1.56!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 155:sc=-0.00329 (180deg=-0.881) USER MOD Single : A 66 LYS NZ :NH3+ 157:sc= -0.0705 (180deg=-0.453) USER MOD Single : A 67 THR OG1 : rot 48:sc= 0.392 USER MOD Single : A 68 SER OG : rot 175:sc= 0.127 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0646 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.764 -30.023 28.931 1.00 0.00 N ATOM 2 CA GLY A 1 -10.634 -28.792 28.174 1.00 0.00 C ATOM 3 C GLY A 1 -11.162 -28.923 26.759 1.00 0.00 C ATOM 4 O GLY A 1 -10.944 -29.939 26.099 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.886 -30.199 29.460 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.559 -29.939 29.597 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.940 -30.814 28.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.172 -27.995 28.687 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.585 -28.498 28.141 1.00 0.00 H new ATOM 8 N SER A 2 -11.860 -27.893 26.292 1.00 0.00 N ATOM 9 CA SER A 2 -12.426 -27.899 24.948 1.00 0.00 C ATOM 10 C SER A 2 -12.655 -26.476 24.448 1.00 0.00 C ATOM 11 O SER A 2 -12.663 -25.525 25.230 1.00 0.00 O ATOM 12 CB SER A 2 -13.744 -28.676 24.931 1.00 0.00 C ATOM 13 OG SER A 2 -13.516 -30.063 24.749 1.00 0.00 O ATOM 0 H SER A 2 -12.047 -27.043 26.825 1.00 0.00 H new ATOM 0 HA SER A 2 -11.715 -28.389 24.283 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.279 -28.512 25.867 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.381 -28.301 24.130 1.00 0.00 H new ATOM 0 HG SER A 2 -12.658 -30.309 25.154 1.00 0.00 H new ATOM 19 N SER A 3 -12.840 -26.338 23.139 1.00 0.00 N ATOM 20 CA SER A 3 -13.066 -25.031 22.533 1.00 0.00 C ATOM 21 C SER A 3 -14.154 -25.107 21.466 1.00 0.00 C ATOM 22 O SER A 3 -14.337 -26.140 20.823 1.00 0.00 O ATOM 23 CB SER A 3 -11.769 -24.500 21.917 1.00 0.00 C ATOM 24 OG SER A 3 -11.961 -23.214 21.355 1.00 0.00 O ATOM 0 H SER A 3 -12.838 -27.115 22.478 1.00 0.00 H new ATOM 0 HA SER A 3 -13.396 -24.348 23.316 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.992 -24.455 22.680 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.420 -25.188 21.147 1.00 0.00 H new ATOM 0 HG SER A 3 -11.118 -22.896 20.970 1.00 0.00 H new ATOM 30 N GLY A 4 -14.875 -24.004 21.285 1.00 0.00 N ATOM 31 CA GLY A 4 -15.936 -23.966 20.297 1.00 0.00 C ATOM 32 C GLY A 4 -15.528 -23.231 19.036 1.00 0.00 C ATOM 33 O GLY A 4 -14.407 -23.387 18.553 1.00 0.00 O ATOM 0 H GLY A 4 -14.743 -23.137 21.805 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.227 -24.985 20.042 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.813 -23.482 20.728 1.00 0.00 H new ATOM 37 N SER A 5 -16.441 -22.427 18.499 1.00 0.00 N ATOM 38 CA SER A 5 -16.172 -21.669 17.283 1.00 0.00 C ATOM 39 C SER A 5 -17.108 -20.469 17.173 1.00 0.00 C ATOM 40 O SER A 5 -18.247 -20.511 17.638 1.00 0.00 O ATOM 41 CB SER A 5 -16.328 -22.565 16.053 1.00 0.00 C ATOM 42 OG SER A 5 -15.591 -22.056 14.955 1.00 0.00 O ATOM 0 H SER A 5 -17.373 -22.284 18.887 1.00 0.00 H new ATOM 0 HA SER A 5 -15.146 -21.305 17.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.987 -23.573 16.288 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.382 -22.639 15.785 1.00 0.00 H new ATOM 0 HG SER A 5 -15.706 -22.647 14.182 1.00 0.00 H new ATOM 48 N SER A 6 -16.618 -19.399 16.555 1.00 0.00 N ATOM 49 CA SER A 6 -17.408 -18.185 16.387 1.00 0.00 C ATOM 50 C SER A 6 -17.047 -17.478 15.083 1.00 0.00 C ATOM 51 O SER A 6 -15.891 -17.480 14.663 1.00 0.00 O ATOM 52 CB SER A 6 -17.189 -17.240 17.570 1.00 0.00 C ATOM 53 OG SER A 6 -18.187 -16.235 17.612 1.00 0.00 O ATOM 0 H SER A 6 -15.678 -19.348 16.162 1.00 0.00 H new ATOM 0 HA SER A 6 -18.460 -18.468 16.348 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.201 -17.808 18.500 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.205 -16.777 17.492 1.00 0.00 H new ATOM 0 HG SER A 6 -18.025 -15.645 18.378 1.00 0.00 H new ATOM 59 N GLY A 7 -18.047 -16.874 14.448 1.00 0.00 N ATOM 60 CA GLY A 7 -17.816 -16.172 13.199 1.00 0.00 C ATOM 61 C GLY A 7 -17.696 -14.673 13.391 1.00 0.00 C ATOM 62 O GLY A 7 -18.629 -14.023 13.863 1.00 0.00 O ATOM 0 H GLY A 7 -19.013 -16.858 14.776 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.904 -16.550 12.736 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.634 -16.383 12.510 1.00 0.00 H new ATOM 66 N LYS A 8 -16.543 -14.122 13.026 1.00 0.00 N ATOM 67 CA LYS A 8 -16.303 -12.690 13.159 1.00 0.00 C ATOM 68 C LYS A 8 -15.958 -12.068 11.810 1.00 0.00 C ATOM 69 O LYS A 8 -14.796 -11.775 11.530 1.00 0.00 O ATOM 70 CB LYS A 8 -15.170 -12.433 14.156 1.00 0.00 C ATOM 71 CG LYS A 8 -15.055 -10.981 14.584 1.00 0.00 C ATOM 72 CD LYS A 8 -13.674 -10.671 15.139 1.00 0.00 C ATOM 73 CE LYS A 8 -13.309 -9.208 14.942 1.00 0.00 C ATOM 74 NZ LYS A 8 -13.056 -8.888 13.510 1.00 0.00 N ATOM 0 H LYS A 8 -15.760 -14.646 12.636 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.217 -12.226 13.529 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.327 -13.052 15.039 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.226 -12.747 13.710 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.260 -10.332 13.732 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.809 -10.763 15.340 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.645 -10.914 16.201 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.933 -11.301 14.647 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.116 -8.579 15.318 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.421 -8.973 15.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.497 -8.013 13.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.531 -9.669 13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.963 -8.758 13.018 1.00 0.00 H new ATOM 88 N ARG A 9 -16.976 -11.867 10.979 1.00 0.00 N ATOM 89 CA ARG A 9 -16.780 -11.279 9.659 1.00 0.00 C ATOM 90 C ARG A 9 -16.977 -9.766 9.703 1.00 0.00 C ATOM 91 O ARG A 9 -17.346 -9.209 10.737 1.00 0.00 O ATOM 92 CB ARG A 9 -17.748 -11.901 8.651 1.00 0.00 C ATOM 93 CG ARG A 9 -19.162 -11.352 8.747 1.00 0.00 C ATOM 94 CD ARG A 9 -19.961 -12.058 9.831 1.00 0.00 C ATOM 95 NE ARG A 9 -19.852 -11.381 11.120 1.00 0.00 N ATOM 96 CZ ARG A 9 -20.694 -11.579 12.128 1.00 0.00 C ATOM 97 NH1 ARG A 9 -21.701 -12.431 11.997 1.00 0.00 N ATOM 98 NH2 ARG A 9 -20.529 -10.925 13.271 1.00 0.00 N ATOM 0 H ARG A 9 -17.944 -12.103 11.196 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.757 -11.486 9.345 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -17.369 -11.731 7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.775 -12.980 8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -19.125 -10.283 8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -19.665 -11.470 7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -21.009 -12.107 9.535 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -19.609 -13.085 9.930 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.087 -10.720 11.254 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -21.831 -12.936 11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -22.346 -12.581 12.773 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.755 -10.269 13.376 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.176 -11.078 14.044 1.00 0.00 H new ATOM 112 N GLN A 10 -16.728 -9.109 8.575 1.00 0.00 N ATOM 113 CA GLN A 10 -16.877 -7.662 8.486 1.00 0.00 C ATOM 114 C GLN A 10 -16.702 -7.184 7.049 1.00 0.00 C ATOM 115 O GLN A 10 -15.603 -7.231 6.496 1.00 0.00 O ATOM 116 CB GLN A 10 -15.862 -6.966 9.394 1.00 0.00 C ATOM 117 CG GLN A 10 -16.291 -5.576 9.835 1.00 0.00 C ATOM 118 CD GLN A 10 -15.151 -4.775 10.433 1.00 0.00 C ATOM 119 OE1 GLN A 10 -14.577 -5.158 11.453 1.00 0.00 O ATOM 120 NE2 GLN A 10 -14.817 -3.656 9.801 1.00 0.00 N ATOM 0 H GLN A 10 -16.422 -9.556 7.711 1.00 0.00 H new ATOM 0 HA GLN A 10 -17.884 -7.406 8.815 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -15.695 -7.583 10.277 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.909 -6.894 8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.699 -5.037 8.980 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -17.093 -5.663 10.568 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.320 -3.377 8.959 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.058 -3.076 10.158 1.00 0.00 H new ATOM 129 N LYS A 11 -17.794 -6.723 6.447 1.00 0.00 N ATOM 130 CA LYS A 11 -17.762 -6.235 5.073 1.00 0.00 C ATOM 131 C LYS A 11 -17.167 -4.832 5.007 1.00 0.00 C ATOM 132 O LYS A 11 -17.359 -4.023 5.916 1.00 0.00 O ATOM 133 CB LYS A 11 -19.173 -6.230 4.479 1.00 0.00 C ATOM 134 CG LYS A 11 -19.662 -7.606 4.063 1.00 0.00 C ATOM 135 CD LYS A 11 -19.024 -8.053 2.758 1.00 0.00 C ATOM 136 CE LYS A 11 -19.330 -9.513 2.460 1.00 0.00 C ATOM 137 NZ LYS A 11 -20.789 -9.748 2.277 1.00 0.00 N ATOM 0 H LYS A 11 -18.712 -6.677 6.889 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.131 -6.906 4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -19.865 -5.814 5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -19.191 -5.570 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.432 -8.327 4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -20.746 -7.590 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.388 -7.430 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.945 -7.910 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.797 -9.819 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.962 -10.135 3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.950 -10.740 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.288 -9.544 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.150 -9.124 1.527 1.00 0.00 H new ATOM 151 N ILE A 12 -16.445 -4.551 3.928 1.00 0.00 N ATOM 152 CA ILE A 12 -15.824 -3.245 3.744 1.00 0.00 C ATOM 153 C ILE A 12 -16.601 -2.404 2.736 1.00 0.00 C ATOM 154 O ILE A 12 -17.025 -2.902 1.692 1.00 0.00 O ATOM 155 CB ILE A 12 -14.365 -3.377 3.269 1.00 0.00 C ATOM 156 CG1 ILE A 12 -13.547 -4.180 4.283 1.00 0.00 C ATOM 157 CG2 ILE A 12 -13.751 -2.001 3.055 1.00 0.00 C ATOM 158 CD1 ILE A 12 -12.221 -4.665 3.740 1.00 0.00 C ATOM 0 H ILE A 12 -16.275 -5.210 3.168 1.00 0.00 H new ATOM 0 HA ILE A 12 -15.838 -2.749 4.715 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.354 -3.910 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.366 -3.562 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -14.132 -5.039 4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.720 -2.111 2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -14.323 -1.461 2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -13.770 -1.444 3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.695 -5.226 4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.395 -5.309 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.617 -3.810 3.438 1.00 0.00 H new ATOM 170 N HIS A 13 -16.782 -1.127 3.054 1.00 0.00 N ATOM 171 CA HIS A 13 -17.506 -0.215 2.175 1.00 0.00 C ATOM 172 C HIS A 13 -16.547 0.749 1.484 1.00 0.00 C ATOM 173 O HIS A 13 -15.541 1.162 2.062 1.00 0.00 O ATOM 174 CB HIS A 13 -18.552 0.569 2.968 1.00 0.00 C ATOM 175 CG HIS A 13 -19.400 -0.291 3.854 1.00 0.00 C ATOM 176 ND1 HIS A 13 -18.919 -0.903 4.992 1.00 0.00 N ATOM 177 CD2 HIS A 13 -20.705 -0.637 3.766 1.00 0.00 C ATOM 178 CE1 HIS A 13 -19.891 -1.591 5.564 1.00 0.00 C ATOM 179 NE2 HIS A 13 -20.986 -1.446 4.840 1.00 0.00 N ATOM 0 H HIS A 13 -16.438 -0.700 3.914 1.00 0.00 H new ATOM 0 HA HIS A 13 -18.010 -0.809 1.412 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -18.047 1.318 3.578 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -19.196 1.106 2.272 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -21.397 -0.333 2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -19.805 -2.173 6.470 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -21.893 -1.866 5.045 1.00 0.00 H new ATOM 187 N LEU A 14 -16.864 1.103 0.243 1.00 0.00 N ATOM 188 CA LEU A 14 -16.030 2.019 -0.528 1.00 0.00 C ATOM 189 C LEU A 14 -16.887 2.988 -1.336 1.00 0.00 C ATOM 190 O LEU A 14 -18.110 2.860 -1.382 1.00 0.00 O ATOM 191 CB LEU A 14 -15.108 1.235 -1.463 1.00 0.00 C ATOM 192 CG LEU A 14 -14.209 0.190 -0.800 1.00 0.00 C ATOM 193 CD1 LEU A 14 -13.559 -0.698 -1.849 1.00 0.00 C ATOM 194 CD2 LEU A 14 -13.151 0.866 0.060 1.00 0.00 C ATOM 0 H LEU A 14 -17.692 0.770 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.424 2.595 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.723 0.734 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.475 1.945 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.826 -0.437 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.923 -1.435 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.332 -1.210 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.955 -0.087 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.520 0.108 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.537 1.517 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.637 1.458 0.836 1.00 0.00 H new ATOM 206 N GLY A 15 -16.236 3.956 -1.973 1.00 0.00 N ATOM 207 CA GLY A 15 -16.955 4.932 -2.772 1.00 0.00 C ATOM 208 C GLY A 15 -16.602 4.848 -4.244 1.00 0.00 C ATOM 209 O GLY A 15 -16.265 3.777 -4.749 1.00 0.00 O ATOM 0 H GLY A 15 -15.224 4.082 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.027 4.779 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.732 5.934 -2.404 1.00 0.00 H new ATOM 213 N ASP A 16 -16.680 5.980 -4.935 1.00 0.00 N ATOM 214 CA ASP A 16 -16.367 6.031 -6.358 1.00 0.00 C ATOM 215 C ASP A 16 -15.004 6.676 -6.592 1.00 0.00 C ATOM 216 O ASP A 16 -14.824 7.442 -7.538 1.00 0.00 O ATOM 217 CB ASP A 16 -17.448 6.807 -7.113 1.00 0.00 C ATOM 218 CG ASP A 16 -18.832 6.580 -6.536 1.00 0.00 C ATOM 219 OD1 ASP A 16 -19.187 5.409 -6.288 1.00 0.00 O ATOM 220 OD2 ASP A 16 -19.560 7.574 -6.333 1.00 0.00 O ATOM 0 H ASP A 16 -16.958 6.875 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 16 -16.335 5.008 -6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.215 7.871 -7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.441 6.508 -8.161 1.00 0.00 H new ATOM 225 N ARG A 17 -14.050 6.361 -5.723 1.00 0.00 N ATOM 226 CA ARG A 17 -12.704 6.911 -5.833 1.00 0.00 C ATOM 227 C ARG A 17 -11.666 5.796 -5.926 1.00 0.00 C ATOM 228 O ARG A 17 -10.680 5.912 -6.653 1.00 0.00 O ATOM 229 CB ARG A 17 -12.397 7.810 -4.634 1.00 0.00 C ATOM 230 CG ARG A 17 -12.909 9.232 -4.791 1.00 0.00 C ATOM 231 CD ARG A 17 -12.295 10.163 -3.757 1.00 0.00 C ATOM 232 NE ARG A 17 -12.873 9.965 -2.431 1.00 0.00 N ATOM 233 CZ ARG A 17 -14.014 10.519 -2.036 1.00 0.00 C ATOM 234 NH1 ARG A 17 -14.696 11.301 -2.862 1.00 0.00 N ATOM 235 NH2 ARG A 17 -14.475 10.291 -0.813 1.00 0.00 N ATOM 0 H ARG A 17 -14.184 5.728 -4.935 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.656 7.505 -6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.838 7.371 -3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.319 7.837 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.677 9.595 -5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.994 9.242 -4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.219 9.996 -3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.444 11.197 -4.067 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.373 9.368 -1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.345 11.478 -3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.572 11.725 -2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.953 9.690 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.351 10.717 -0.511 1.00 0.00 H new ATOM 249 N SER A 18 -11.896 4.718 -5.184 1.00 0.00 N ATOM 250 CA SER A 18 -10.980 3.584 -5.179 1.00 0.00 C ATOM 251 C SER A 18 -10.364 3.377 -6.559 1.00 0.00 C ATOM 252 O SER A 18 -11.075 3.288 -7.560 1.00 0.00 O ATOM 253 CB SER A 18 -11.709 2.313 -4.737 1.00 0.00 C ATOM 254 OG SER A 18 -12.407 2.523 -3.522 1.00 0.00 O ATOM 0 H SER A 18 -12.709 4.606 -4.578 1.00 0.00 H new ATOM 0 HA SER A 18 -10.179 3.799 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.409 2.002 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.991 1.503 -4.612 1.00 0.00 H new ATOM 0 HG SER A 18 -12.070 1.905 -2.840 1.00 0.00 H new ATOM 260 N GLN A 19 -9.038 3.301 -6.603 1.00 0.00 N ATOM 261 CA GLN A 19 -8.326 3.105 -7.861 1.00 0.00 C ATOM 262 C GLN A 19 -7.420 1.880 -7.788 1.00 0.00 C ATOM 263 O GLN A 19 -6.917 1.529 -6.721 1.00 0.00 O ATOM 264 CB GLN A 19 -7.499 4.346 -8.202 1.00 0.00 C ATOM 265 CG GLN A 19 -7.358 4.591 -9.696 1.00 0.00 C ATOM 266 CD GLN A 19 -6.638 3.462 -10.407 1.00 0.00 C ATOM 267 OE1 GLN A 19 -7.173 2.859 -11.338 1.00 0.00 O ATOM 268 NE2 GLN A 19 -5.418 3.171 -9.972 1.00 0.00 N ATOM 0 H GLN A 19 -8.435 3.372 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.064 2.942 -8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.962 5.219 -7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.506 4.243 -7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.348 4.719 -10.134 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.815 5.522 -9.858 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.014 3.697 -9.197 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.885 2.421 -10.413 1.00 0.00 H new ATOM 277 N LYS A 20 -7.216 1.233 -8.931 1.00 0.00 N ATOM 278 CA LYS A 20 -6.370 0.047 -8.998 1.00 0.00 C ATOM 279 C LYS A 20 -4.964 0.408 -9.467 1.00 0.00 C ATOM 280 O LYS A 20 -4.736 0.642 -10.655 1.00 0.00 O ATOM 281 CB LYS A 20 -6.983 -0.989 -9.942 1.00 0.00 C ATOM 282 CG LYS A 20 -6.286 -2.338 -9.900 1.00 0.00 C ATOM 283 CD LYS A 20 -6.919 -3.323 -10.868 1.00 0.00 C ATOM 284 CE LYS A 20 -6.133 -4.624 -10.934 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.719 -5.577 -11.916 1.00 0.00 N ATOM 0 H LYS A 20 -7.625 1.510 -9.823 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.303 -0.378 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.034 -1.124 -9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.950 -0.604 -10.961 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.232 -2.212 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.331 -2.741 -8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.943 -3.531 -10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.970 -2.877 -11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.100 -4.410 -11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.113 -5.086 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.155 -6.451 -11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.697 -5.801 -11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.715 -5.146 -12.863 1.00 0.00 H new ATOM 299 N CYS A 21 -4.024 0.450 -8.529 1.00 0.00 N ATOM 300 CA CYS A 21 -2.640 0.782 -8.846 1.00 0.00 C ATOM 301 C CYS A 21 -2.216 0.141 -10.164 1.00 0.00 C ATOM 302 O CYS A 21 -2.812 -0.840 -10.610 1.00 0.00 O ATOM 303 CB CYS A 21 -1.713 0.320 -7.720 1.00 0.00 C ATOM 304 SG CYS A 21 0.015 0.863 -7.911 1.00 0.00 S ATOM 0 H CYS A 21 -4.196 0.258 -7.542 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.566 1.865 -8.948 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.097 0.694 -6.771 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.737 -0.768 -7.667 1.00 0.00 H new ATOM 309 N SER A 22 -1.182 0.702 -10.782 1.00 0.00 N ATOM 310 CA SER A 22 -0.679 0.188 -12.051 1.00 0.00 C ATOM 311 C SER A 22 0.648 -0.540 -11.855 1.00 0.00 C ATOM 312 O SER A 22 1.001 -1.432 -12.626 1.00 0.00 O ATOM 313 CB SER A 22 -0.504 1.329 -13.054 1.00 0.00 C ATOM 314 OG SER A 22 -1.755 1.749 -13.572 1.00 0.00 O ATOM 0 H SER A 22 -0.676 1.512 -10.425 1.00 0.00 H new ATOM 0 HA SER A 22 -1.408 -0.521 -12.442 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.006 2.170 -12.570 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.141 1.004 -13.871 1.00 0.00 H new ATOM 0 HG SER A 22 -1.616 2.480 -14.209 1.00 0.00 H new ATOM 320 N LYS A 23 1.380 -0.152 -10.816 1.00 0.00 N ATOM 321 CA LYS A 23 2.668 -0.766 -10.515 1.00 0.00 C ATOM 322 C LYS A 23 2.482 -2.161 -9.927 1.00 0.00 C ATOM 323 O LYS A 23 2.851 -3.160 -10.544 1.00 0.00 O ATOM 324 CB LYS A 23 3.458 0.109 -9.540 1.00 0.00 C ATOM 325 CG LYS A 23 4.748 -0.530 -9.057 1.00 0.00 C ATOM 326 CD LYS A 23 5.744 0.515 -8.582 1.00 0.00 C ATOM 327 CE LYS A 23 7.106 -0.101 -8.300 1.00 0.00 C ATOM 328 NZ LYS A 23 8.056 0.892 -7.726 1.00 0.00 N ATOM 0 H LYS A 23 1.103 0.585 -10.168 1.00 0.00 H new ATOM 0 HA LYS A 23 3.226 -0.856 -11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.691 1.058 -10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.830 0.336 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.530 -1.222 -8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.190 -1.115 -9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.845 1.293 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.367 0.995 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.991 -0.935 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.519 -0.507 -9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.972 0.433 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.186 1.676 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.674 1.261 -6.832 1.00 0.00 H new ATOM 342 N CYS A 24 1.905 -2.221 -8.732 1.00 0.00 N ATOM 343 CA CYS A 24 1.668 -3.494 -8.060 1.00 0.00 C ATOM 344 C CYS A 24 0.318 -4.079 -8.465 1.00 0.00 C ATOM 345 O CYS A 24 0.214 -5.262 -8.787 1.00 0.00 O ATOM 346 CB CYS A 24 1.722 -3.311 -6.542 1.00 0.00 C ATOM 347 SG CYS A 24 0.297 -2.411 -5.850 1.00 0.00 S ATOM 0 H CYS A 24 1.593 -1.403 -8.208 1.00 0.00 H new ATOM 0 HA CYS A 24 2.451 -4.188 -8.364 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.782 -4.292 -6.071 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.636 -2.776 -6.284 1.00 0.00 H new ATOM 352 N GLY A 25 -0.714 -3.242 -8.446 1.00 0.00 N ATOM 353 CA GLY A 25 -2.043 -3.694 -8.814 1.00 0.00 C ATOM 354 C GLY A 25 -2.905 -4.001 -7.605 1.00 0.00 C ATOM 355 O GLY A 25 -3.489 -5.081 -7.510 1.00 0.00 O ATOM 0 H GLY A 25 -0.654 -2.259 -8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.530 -2.929 -9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.961 -4.586 -9.435 1.00 0.00 H new ATOM 359 N ILE A 26 -2.985 -3.051 -6.680 1.00 0.00 N ATOM 360 CA ILE A 26 -3.782 -3.227 -5.472 1.00 0.00 C ATOM 361 C ILE A 26 -4.864 -2.157 -5.367 1.00 0.00 C ATOM 362 O ILE A 26 -4.762 -1.095 -5.982 1.00 0.00 O ATOM 363 CB ILE A 26 -2.904 -3.179 -4.207 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.706 -3.636 -2.987 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.358 -1.776 -3.994 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.908 -3.627 -1.702 1.00 0.00 C ATOM 0 H ILE A 26 -2.508 -2.152 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.250 -4.209 -5.543 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.062 -3.858 -4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.575 -2.989 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.081 -4.644 -3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.740 -1.759 -3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.756 -1.485 -4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.186 -1.077 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.539 -3.962 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.053 -4.297 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.555 -2.616 -1.500 1.00 0.00 H new ATOM 378 N ILE A 27 -5.897 -2.444 -4.583 1.00 0.00 N ATOM 379 CA ILE A 27 -6.996 -1.506 -4.395 1.00 0.00 C ATOM 380 C ILE A 27 -6.682 -0.505 -3.288 1.00 0.00 C ATOM 381 O ILE A 27 -6.383 -0.889 -2.156 1.00 0.00 O ATOM 382 CB ILE A 27 -8.308 -2.237 -4.053 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.647 -3.258 -5.141 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.443 -1.237 -3.886 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.830 -2.643 -6.511 1.00 0.00 C ATOM 0 H ILE A 27 -5.996 -3.319 -4.068 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.121 -0.974 -5.338 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.176 -2.768 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.853 -4.003 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.560 -3.784 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.364 -1.768 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.202 -0.544 -3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.578 -0.681 -4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.068 -3.425 -7.232 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.644 -1.919 -6.479 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.910 -2.141 -6.811 1.00 0.00 H new ATOM 397 N PHE A 28 -6.753 0.779 -3.620 1.00 0.00 N ATOM 398 CA PHE A 28 -6.477 1.836 -2.654 1.00 0.00 C ATOM 399 C PHE A 28 -7.409 3.025 -2.867 1.00 0.00 C ATOM 400 O PHE A 28 -8.233 3.025 -3.782 1.00 0.00 O ATOM 401 CB PHE A 28 -5.020 2.290 -2.765 1.00 0.00 C ATOM 402 CG PHE A 28 -4.733 3.084 -4.007 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.361 2.449 -5.181 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.834 4.466 -4.001 1.00 0.00 C ATOM 405 CE1 PHE A 28 -4.096 3.177 -6.326 1.00 0.00 C ATOM 406 CE2 PHE A 28 -4.571 5.199 -5.142 1.00 0.00 C ATOM 407 CZ PHE A 28 -4.201 4.554 -6.306 1.00 0.00 C ATOM 0 H PHE A 28 -7.000 1.113 -4.552 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.651 1.435 -1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.768 2.892 -1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.372 1.414 -2.746 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.277 1.372 -5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.122 4.976 -3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.807 2.670 -7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.655 6.276 -5.124 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.994 5.125 -7.199 1.00 0.00 H new ATOM 417 N ILE A 29 -7.274 4.035 -2.014 1.00 0.00 N ATOM 418 CA ILE A 29 -8.103 5.230 -2.109 1.00 0.00 C ATOM 419 C ILE A 29 -7.310 6.407 -2.667 1.00 0.00 C ATOM 420 O ILE A 29 -6.397 6.916 -2.018 1.00 0.00 O ATOM 421 CB ILE A 29 -8.685 5.621 -0.737 1.00 0.00 C ATOM 422 CG1 ILE A 29 -9.454 4.446 -0.131 1.00 0.00 C ATOM 423 CG2 ILE A 29 -9.587 6.839 -0.873 1.00 0.00 C ATOM 424 CD1 ILE A 29 -10.760 4.151 -0.836 1.00 0.00 C ATOM 0 H ILE A 29 -6.599 4.049 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.922 4.993 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.863 5.875 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.825 3.556 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.657 4.658 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.991 7.104 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.011 7.676 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.406 6.611 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.251 3.306 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.408 5.026 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.563 3.908 -1.880 1.00 0.00 H new ATOM 436 N ARG A 30 -7.667 6.834 -3.874 1.00 0.00 N ATOM 437 CA ARG A 30 -6.989 7.952 -4.519 1.00 0.00 C ATOM 438 C ARG A 30 -7.763 9.251 -4.311 1.00 0.00 C ATOM 439 O ARG A 30 -8.991 9.246 -4.224 1.00 0.00 O ATOM 440 CB ARG A 30 -6.823 7.679 -6.016 1.00 0.00 C ATOM 441 CG ARG A 30 -8.133 7.691 -6.786 1.00 0.00 C ATOM 442 CD ARG A 30 -7.898 7.843 -8.281 1.00 0.00 C ATOM 443 NE ARG A 30 -9.152 7.894 -9.029 1.00 0.00 N ATOM 444 CZ ARG A 30 -9.889 8.992 -9.153 1.00 0.00 C ATOM 445 NH1 ARG A 30 -9.501 10.124 -8.582 1.00 0.00 N ATOM 446 NH2 ARG A 30 -11.018 8.960 -9.850 1.00 0.00 N ATOM 0 H ARG A 30 -8.421 6.423 -4.424 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.004 8.059 -4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.155 8.428 -6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.342 6.710 -6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.678 6.767 -6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.759 8.509 -6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.327 8.753 -8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.295 7.009 -8.640 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.479 7.040 -9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.634 10.154 -8.045 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.069 10.965 -8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.321 8.092 -10.291 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.583 9.804 -9.944 1.00 0.00 H new ATOM 460 N ARG A 31 -7.035 10.360 -4.231 1.00 0.00 N ATOM 461 CA ARG A 31 -7.653 11.666 -4.031 1.00 0.00 C ATOM 462 C ARG A 31 -7.843 12.387 -5.362 1.00 0.00 C ATOM 463 O ARG A 31 -7.129 12.123 -6.330 1.00 0.00 O ATOM 464 CB ARG A 31 -6.797 12.520 -3.094 1.00 0.00 C ATOM 465 CG ARG A 31 -7.486 13.793 -2.630 1.00 0.00 C ATOM 466 CD ARG A 31 -6.485 14.809 -2.104 1.00 0.00 C ATOM 467 NE ARG A 31 -7.129 15.851 -1.310 1.00 0.00 N ATOM 468 CZ ARG A 31 -7.492 15.691 -0.042 1.00 0.00 C ATOM 469 NH1 ARG A 31 -7.274 14.537 0.572 1.00 0.00 N ATOM 470 NH2 ARG A 31 -8.073 16.688 0.614 1.00 0.00 N ATOM 0 H ARG A 31 -6.018 10.381 -4.301 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.632 11.511 -3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.525 11.926 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.869 12.784 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.046 14.227 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.207 13.553 -1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.737 14.300 -1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.958 15.265 -2.942 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.310 16.752 -1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.827 13.769 0.071 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.554 14.417 1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.241 17.578 0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.351 16.564 1.587 1.00 0.00 H new ATOM 484 N SER A 32 -8.811 13.297 -5.403 1.00 0.00 N ATOM 485 CA SER A 32 -9.098 14.053 -6.616 1.00 0.00 C ATOM 486 C SER A 32 -7.819 14.328 -7.401 1.00 0.00 C ATOM 487 O SER A 32 -6.890 14.961 -6.897 1.00 0.00 O ATOM 488 CB SER A 32 -9.790 15.372 -6.269 1.00 0.00 C ATOM 489 OG SER A 32 -11.096 15.146 -5.765 1.00 0.00 O ATOM 0 H SER A 32 -9.410 13.528 -4.610 1.00 0.00 H new ATOM 0 HA SER A 32 -9.764 13.454 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.200 15.912 -5.529 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.843 16.003 -7.156 1.00 0.00 H new ATOM 0 HG SER A 32 -11.516 16.005 -5.549 1.00 0.00 H new ATOM 495 N THR A 33 -7.777 13.847 -8.640 1.00 0.00 N ATOM 496 CA THR A 33 -6.612 14.039 -9.495 1.00 0.00 C ATOM 497 C THR A 33 -6.773 15.275 -10.373 1.00 0.00 C ATOM 498 O THR A 33 -7.870 15.575 -10.846 1.00 0.00 O ATOM 499 CB THR A 33 -6.367 12.813 -10.393 1.00 0.00 C ATOM 500 OG1 THR A 33 -5.205 13.024 -11.204 1.00 0.00 O ATOM 501 CG2 THR A 33 -7.571 12.544 -11.284 1.00 0.00 C ATOM 0 H THR A 33 -8.536 13.322 -9.073 1.00 0.00 H new ATOM 0 HA THR A 33 -5.754 14.174 -8.836 1.00 0.00 H new ATOM 0 HB THR A 33 -6.210 11.946 -9.751 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.055 12.239 -11.771 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.374 11.673 -11.909 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.447 12.355 -10.664 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.756 13.411 -11.918 1.00 0.00 H new ATOM 509 N LEU A 34 -5.673 15.988 -10.590 1.00 0.00 N ATOM 510 CA LEU A 34 -5.692 17.192 -11.414 1.00 0.00 C ATOM 511 C LEU A 34 -4.874 16.994 -12.686 1.00 0.00 C ATOM 512 O LEU A 34 -3.701 16.627 -12.630 1.00 0.00 O ATOM 513 CB LEU A 34 -5.147 18.383 -10.623 1.00 0.00 C ATOM 514 CG LEU A 34 -5.001 19.692 -11.399 1.00 0.00 C ATOM 515 CD1 LEU A 34 -6.366 20.232 -11.798 1.00 0.00 C ATOM 516 CD2 LEU A 34 -4.241 20.720 -10.573 1.00 0.00 C ATOM 0 H LEU A 34 -4.757 15.753 -10.207 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.725 17.394 -11.697 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.804 18.560 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.171 18.111 -10.221 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.432 19.491 -12.307 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.242 21.164 -12.349 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.876 19.503 -12.428 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.960 20.416 -10.903 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.147 21.645 -11.141 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.783 20.916 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.248 20.336 -10.338 1.00 0.00 H new ATOM 528 N SER A 35 -5.501 17.242 -13.831 1.00 0.00 N ATOM 529 CA SER A 35 -4.832 17.090 -15.118 1.00 0.00 C ATOM 530 C SER A 35 -4.347 15.656 -15.312 1.00 0.00 C ATOM 531 O SER A 35 -3.382 15.408 -16.034 1.00 0.00 O ATOM 532 CB SER A 35 -3.652 18.058 -15.220 1.00 0.00 C ATOM 533 OG SER A 35 -3.327 18.324 -16.574 1.00 0.00 O ATOM 0 H SER A 35 -6.472 17.549 -13.894 1.00 0.00 H new ATOM 0 HA SER A 35 -5.551 17.321 -15.904 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.897 18.990 -14.712 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.786 17.636 -14.711 1.00 0.00 H new ATOM 0 HG SER A 35 -3.171 17.479 -17.045 1.00 0.00 H new ATOM 539 N ARG A 36 -5.025 14.716 -14.661 1.00 0.00 N ATOM 540 CA ARG A 36 -4.663 13.307 -14.759 1.00 0.00 C ATOM 541 C ARG A 36 -3.148 13.138 -14.832 1.00 0.00 C ATOM 542 O ARG A 36 -2.632 12.443 -15.706 1.00 0.00 O ATOM 543 CB ARG A 36 -5.317 12.676 -15.991 1.00 0.00 C ATOM 544 CG ARG A 36 -6.830 12.574 -15.892 1.00 0.00 C ATOM 545 CD ARG A 36 -7.431 11.972 -17.153 1.00 0.00 C ATOM 546 NE ARG A 36 -8.850 12.288 -17.287 1.00 0.00 N ATOM 547 CZ ARG A 36 -9.493 12.306 -18.449 1.00 0.00 C ATOM 548 NH1 ARG A 36 -8.845 12.027 -19.572 1.00 0.00 N ATOM 549 NH2 ARG A 36 -10.785 12.602 -18.490 1.00 0.00 N ATOM 0 H ARG A 36 -5.828 14.905 -14.060 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.025 12.801 -13.864 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.058 13.265 -16.871 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.903 11.679 -16.141 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.099 11.962 -15.031 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.252 13.565 -15.723 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.893 12.344 -18.025 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.301 10.890 -17.136 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.377 12.507 -16.441 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.851 11.798 -19.544 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.340 12.041 -20.464 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.287 12.816 -17.628 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.277 12.615 -19.383 1.00 0.00 H new ATOM 563 N ARG A 37 -2.442 13.780 -13.906 1.00 0.00 N ATOM 564 CA ARG A 37 -0.987 13.702 -13.866 1.00 0.00 C ATOM 565 C ARG A 37 -0.518 12.911 -12.648 1.00 0.00 C ATOM 566 O ARG A 37 0.624 12.453 -12.593 1.00 0.00 O ATOM 567 CB ARG A 37 -0.380 15.106 -13.840 1.00 0.00 C ATOM 568 CG ARG A 37 -0.508 15.799 -12.493 1.00 0.00 C ATOM 569 CD ARG A 37 0.604 16.815 -12.282 1.00 0.00 C ATOM 570 NE ARG A 37 0.234 18.141 -12.768 1.00 0.00 N ATOM 571 CZ ARG A 37 -0.564 18.971 -12.105 1.00 0.00 C ATOM 572 NH1 ARG A 37 -1.072 18.613 -10.934 1.00 0.00 N ATOM 573 NH2 ARG A 37 -0.854 20.162 -12.613 1.00 0.00 N ATOM 0 H ARG A 37 -2.854 14.359 -13.174 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.651 13.185 -14.765 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.675 15.042 -14.108 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.865 15.717 -14.601 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.475 16.298 -12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.480 15.056 -11.696 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.846 16.872 -11.221 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.504 16.479 -12.796 1.00 0.00 H new ATOM 0 HE ARG A 37 0.609 18.447 -13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.850 17.699 -10.540 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.684 19.252 -10.427 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.464 20.441 -13.513 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.467 20.798 -12.103 1.00 0.00 H new ATOM 587 N LYS A 38 -1.407 12.754 -11.673 1.00 0.00 N ATOM 588 CA LYS A 38 -1.086 12.018 -10.456 1.00 0.00 C ATOM 589 C LYS A 38 -1.140 10.513 -10.700 1.00 0.00 C ATOM 590 O LYS A 38 -2.204 9.953 -10.962 1.00 0.00 O ATOM 591 CB LYS A 38 -2.057 12.398 -9.335 1.00 0.00 C ATOM 592 CG LYS A 38 -1.654 11.859 -7.973 1.00 0.00 C ATOM 593 CD LYS A 38 -0.608 12.741 -7.312 1.00 0.00 C ATOM 594 CE LYS A 38 -0.576 12.534 -5.806 1.00 0.00 C ATOM 595 NZ LYS A 38 -1.673 13.273 -5.121 1.00 0.00 N ATOM 0 H LYS A 38 -2.356 13.127 -11.702 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.072 12.284 -10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.128 13.484 -9.280 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.051 12.026 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.533 11.793 -7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.262 10.848 -8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.373 12.520 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.821 13.787 -7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.661 11.470 -5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.385 12.866 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.617 13.106 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.578 14.291 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.591 12.939 -5.476 1.00 0.00 H new ATOM 609 N THR A 39 0.016 9.862 -10.611 1.00 0.00 N ATOM 610 CA THR A 39 0.101 8.423 -10.822 1.00 0.00 C ATOM 611 C THR A 39 -0.803 7.671 -9.852 1.00 0.00 C ATOM 612 O THR A 39 -0.876 7.984 -8.664 1.00 0.00 O ATOM 613 CB THR A 39 1.546 7.915 -10.657 1.00 0.00 C ATOM 614 OG1 THR A 39 2.471 8.927 -11.071 1.00 0.00 O ATOM 615 CG2 THR A 39 1.772 6.651 -11.473 1.00 0.00 C ATOM 0 H THR A 39 0.907 10.310 -10.394 1.00 0.00 H new ATOM 0 HA THR A 39 -0.229 8.234 -11.844 1.00 0.00 H new ATOM 0 HB THR A 39 1.708 7.683 -9.604 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.387 8.597 -10.962 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.799 6.311 -11.341 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.086 5.873 -11.137 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.593 6.862 -12.527 1.00 0.00 H new ATOM 623 N PRO A 40 -1.509 6.654 -10.368 1.00 0.00 N ATOM 624 CA PRO A 40 -2.421 5.835 -9.563 1.00 0.00 C ATOM 625 C PRO A 40 -1.679 4.946 -8.571 1.00 0.00 C ATOM 626 O PRO A 40 -2.261 4.033 -7.986 1.00 0.00 O ATOM 627 CB PRO A 40 -3.146 4.982 -10.607 1.00 0.00 C ATOM 628 CG PRO A 40 -2.205 4.912 -11.759 1.00 0.00 C ATOM 629 CD PRO A 40 -1.471 6.224 -11.776 1.00 0.00 C ATOM 0 HA PRO A 40 -3.087 6.446 -8.954 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.371 3.989 -10.219 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.095 5.434 -10.898 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.512 4.079 -11.646 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.744 4.754 -12.693 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.448 6.107 -12.133 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.957 6.948 -12.431 1.00 0.00 H new ATOM 637 N MET A 41 -0.392 5.219 -8.386 1.00 0.00 N ATOM 638 CA MET A 41 0.429 4.444 -7.463 1.00 0.00 C ATOM 639 C MET A 41 -0.209 4.395 -6.078 1.00 0.00 C ATOM 640 O MET A 41 -0.639 5.419 -5.545 1.00 0.00 O ATOM 641 CB MET A 41 1.834 5.043 -7.369 1.00 0.00 C ATOM 642 CG MET A 41 2.610 4.980 -8.674 1.00 0.00 C ATOM 643 SD MET A 41 4.393 5.082 -8.428 1.00 0.00 S ATOM 644 CE MET A 41 4.866 3.371 -8.668 1.00 0.00 C ATOM 0 H MET A 41 0.105 5.971 -8.863 1.00 0.00 H new ATOM 0 HA MET A 41 0.501 3.426 -7.847 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.756 6.083 -7.052 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.394 4.515 -6.597 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.371 4.050 -9.190 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.289 5.795 -9.322 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.849 3.200 -8.230 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.136 2.721 -8.186 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.901 3.149 -9.735 1.00 0.00 H new ATOM 654 N CYS A 42 -0.269 3.200 -5.501 1.00 0.00 N ATOM 655 CA CYS A 42 -0.855 3.017 -4.179 1.00 0.00 C ATOM 656 C CYS A 42 0.133 3.413 -3.086 1.00 0.00 C ATOM 657 O CYS A 42 1.342 3.238 -3.235 1.00 0.00 O ATOM 658 CB CYS A 42 -1.288 1.562 -3.987 1.00 0.00 C ATOM 659 SG CYS A 42 0.093 0.375 -3.944 1.00 0.00 S ATOM 0 H CYS A 42 0.081 2.343 -5.929 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.730 3.663 -4.105 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.851 1.481 -3.057 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.965 1.286 -4.795 1.00 0.00 H new ATOM 664 N GLU A 43 -0.391 3.949 -1.988 1.00 0.00 N ATOM 665 CA GLU A 43 0.446 4.370 -0.870 1.00 0.00 C ATOM 666 C GLU A 43 1.648 3.444 -0.710 1.00 0.00 C ATOM 667 O GLU A 43 2.786 3.898 -0.590 1.00 0.00 O ATOM 668 CB GLU A 43 -0.369 4.395 0.425 1.00 0.00 C ATOM 669 CG GLU A 43 -1.300 5.590 0.535 1.00 0.00 C ATOM 670 CD GLU A 43 -1.894 5.741 1.922 1.00 0.00 C ATOM 671 OE1 GLU A 43 -2.049 4.715 2.617 1.00 0.00 O ATOM 672 OE2 GLU A 43 -2.203 6.887 2.313 1.00 0.00 O ATOM 0 H GLU A 43 -1.390 4.102 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 43 0.810 5.375 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.957 3.480 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.314 4.398 1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.753 6.497 0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.106 5.486 -0.192 1.00 0.00 H new ATOM 679 N LYS A 44 1.387 2.141 -0.709 1.00 0.00 N ATOM 680 CA LYS A 44 2.445 1.148 -0.564 1.00 0.00 C ATOM 681 C LYS A 44 3.599 1.441 -1.518 1.00 0.00 C ATOM 682 O LYS A 44 4.766 1.406 -1.125 1.00 0.00 O ATOM 683 CB LYS A 44 1.895 -0.255 -0.828 1.00 0.00 C ATOM 684 CG LYS A 44 2.971 -1.325 -0.910 1.00 0.00 C ATOM 685 CD LYS A 44 2.414 -2.636 -1.437 1.00 0.00 C ATOM 686 CE LYS A 44 1.883 -3.510 -0.310 1.00 0.00 C ATOM 687 NZ LYS A 44 0.586 -3.004 0.218 1.00 0.00 N ATOM 0 H LYS A 44 0.451 1.748 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 44 2.819 1.198 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.194 -0.516 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.332 -0.246 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.776 -0.983 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.404 -1.483 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.614 -2.433 -2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.193 -3.172 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.755 -4.531 -0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.615 -3.547 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.006 -3.805 0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.763 -2.362 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.082 -2.491 -0.533 1.00 0.00 H new ATOM 701 N CYS A 45 3.267 1.730 -2.771 1.00 0.00 N ATOM 702 CA CYS A 45 4.275 2.030 -3.781 1.00 0.00 C ATOM 703 C CYS A 45 4.829 3.440 -3.594 1.00 0.00 C ATOM 704 O CYS A 45 6.035 3.663 -3.701 1.00 0.00 O ATOM 705 CB CYS A 45 3.681 1.886 -5.183 1.00 0.00 C ATOM 706 SG CYS A 45 3.246 0.175 -5.634 1.00 0.00 S ATOM 0 H CYS A 45 2.306 1.763 -3.112 1.00 0.00 H new ATOM 0 HA CYS A 45 5.093 1.318 -3.665 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.788 2.507 -5.253 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.396 2.272 -5.910 1.00 0.00 H new ATOM 711 N ARG A 46 3.940 4.387 -3.313 1.00 0.00 N ATOM 712 CA ARG A 46 4.339 5.774 -3.112 1.00 0.00 C ATOM 713 C ARG A 46 5.724 5.855 -2.477 1.00 0.00 C ATOM 714 O ARG A 46 6.555 6.673 -2.873 1.00 0.00 O ATOM 715 CB ARG A 46 3.320 6.499 -2.232 1.00 0.00 C ATOM 716 CG ARG A 46 1.935 6.591 -2.853 1.00 0.00 C ATOM 717 CD ARG A 46 1.932 7.498 -4.074 1.00 0.00 C ATOM 718 NE ARG A 46 0.699 7.373 -4.845 1.00 0.00 N ATOM 719 CZ ARG A 46 -0.416 8.037 -4.562 1.00 0.00 C ATOM 720 NH1 ARG A 46 -0.452 8.869 -3.530 1.00 0.00 N ATOM 721 NH2 ARG A 46 -1.498 7.870 -5.312 1.00 0.00 N ATOM 0 H ARG A 46 2.938 4.219 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 46 4.376 6.259 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.246 5.982 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.683 7.505 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.595 5.595 -3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.228 6.970 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.058 8.533 -3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.783 7.253 -4.709 1.00 0.00 H new ATOM 0 HE ARG A 46 0.693 6.741 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.378 9.000 -2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.309 9.378 -3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.474 7.231 -6.107 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.354 8.380 -5.094 1.00 0.00 H new ATOM 735 N LYS A 47 5.966 5.001 -1.488 1.00 0.00 N ATOM 736 CA LYS A 47 7.250 4.973 -0.797 1.00 0.00 C ATOM 737 C LYS A 47 8.067 3.755 -1.216 1.00 0.00 C ATOM 738 O LYS A 47 8.445 2.933 -0.381 1.00 0.00 O ATOM 739 CB LYS A 47 7.037 4.961 0.718 1.00 0.00 C ATOM 740 CG LYS A 47 6.133 3.838 1.196 1.00 0.00 C ATOM 741 CD LYS A 47 6.134 3.728 2.712 1.00 0.00 C ATOM 742 CE LYS A 47 5.120 2.704 3.197 1.00 0.00 C ATOM 743 NZ LYS A 47 3.729 3.233 3.145 1.00 0.00 N ATOM 0 H LYS A 47 5.289 4.319 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 47 7.802 5.871 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.005 4.872 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.609 5.916 1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.116 4.013 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.463 2.894 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.129 3.448 3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.908 4.701 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.190 1.805 2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.359 2.412 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.068 2.505 3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.655 4.076 3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.491 3.488 2.165 1.00 0.00 H new ATOM 757 N ASP A 48 8.338 3.647 -2.512 1.00 0.00 N ATOM 758 CA ASP A 48 9.113 2.530 -3.041 1.00 0.00 C ATOM 759 C ASP A 48 10.609 2.794 -2.903 1.00 0.00 C ATOM 760 O ASP A 48 11.025 3.898 -2.550 1.00 0.00 O ATOM 761 CB ASP A 48 8.758 2.285 -4.508 1.00 0.00 C ATOM 762 CG ASP A 48 9.508 3.209 -5.447 1.00 0.00 C ATOM 763 OD1 ASP A 48 9.334 4.440 -5.332 1.00 0.00 O ATOM 764 OD2 ASP A 48 10.268 2.702 -6.298 1.00 0.00 O ATOM 0 H ASP A 48 8.033 4.319 -3.216 1.00 0.00 H new ATOM 0 HA ASP A 48 8.865 1.640 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.983 1.250 -4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.686 2.422 -4.647 1.00 0.00 H new ATOM 769 N SER A 49 11.413 1.774 -3.184 1.00 0.00 N ATOM 770 CA SER A 49 12.863 1.894 -3.087 1.00 0.00 C ATOM 771 C SER A 49 13.462 2.335 -4.419 1.00 0.00 C ATOM 772 O SER A 49 13.006 1.920 -5.485 1.00 0.00 O ATOM 773 CB SER A 49 13.479 0.561 -2.655 1.00 0.00 C ATOM 774 OG SER A 49 13.489 -0.367 -3.726 1.00 0.00 O ATOM 0 H SER A 49 11.085 0.855 -3.481 1.00 0.00 H new ATOM 0 HA SER A 49 13.090 2.652 -2.337 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.497 0.725 -2.302 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.914 0.150 -1.819 1.00 0.00 H new ATOM 0 HG SER A 49 13.889 -1.210 -3.425 1.00 0.00 H new ATOM 780 N CYS A 50 14.485 3.180 -4.350 1.00 0.00 N ATOM 781 CA CYS A 50 15.147 3.680 -5.549 1.00 0.00 C ATOM 782 C CYS A 50 16.536 4.216 -5.220 1.00 0.00 C ATOM 783 O CYS A 50 16.735 4.861 -4.191 1.00 0.00 O ATOM 784 CB CYS A 50 14.305 4.778 -6.202 1.00 0.00 C ATOM 785 SG CYS A 50 14.559 4.941 -7.984 1.00 0.00 S ATOM 0 H CYS A 50 14.874 3.533 -3.476 1.00 0.00 H new ATOM 0 HA CYS A 50 15.254 2.850 -6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 50 13.251 4.574 -6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 50 14.535 5.730 -5.724 1.00 0.00 H new ATOM 0 HG CYS A 50 13.803 5.893 -8.445 1.00 0.00 H new ATOM 791 N GLN A 51 17.494 3.942 -6.101 1.00 0.00 N ATOM 792 CA GLN A 51 18.865 4.395 -5.902 1.00 0.00 C ATOM 793 C GLN A 51 19.120 5.703 -6.646 1.00 0.00 C ATOM 794 O GLN A 51 18.924 5.786 -7.857 1.00 0.00 O ATOM 795 CB GLN A 51 19.851 3.326 -6.375 1.00 0.00 C ATOM 796 CG GLN A 51 19.684 2.948 -7.837 1.00 0.00 C ATOM 797 CD GLN A 51 20.639 1.853 -8.270 1.00 0.00 C ATOM 798 OE1 GLN A 51 21.579 1.512 -7.550 1.00 0.00 O ATOM 799 NE2 GLN A 51 20.404 1.294 -9.452 1.00 0.00 N ATOM 0 H GLN A 51 17.345 3.409 -6.958 1.00 0.00 H new ATOM 0 HA GLN A 51 19.012 4.570 -4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 51 20.868 3.685 -6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.728 2.434 -5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 51 18.659 2.619 -8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 51 19.844 3.830 -8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 51 19.614 1.607 -10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 51 21.014 0.552 -9.795 1.00 0.00 H new ATOM 808 N GLU A 52 19.558 6.720 -5.910 1.00 0.00 N ATOM 809 CA GLU A 52 19.838 8.023 -6.501 1.00 0.00 C ATOM 810 C GLU A 52 21.293 8.116 -6.951 1.00 0.00 C ATOM 811 O GLU A 52 21.947 9.142 -6.766 1.00 0.00 O ATOM 812 CB GLU A 52 19.530 9.139 -5.500 1.00 0.00 C ATOM 813 CG GLU A 52 18.056 9.256 -5.154 1.00 0.00 C ATOM 814 CD GLU A 52 17.263 9.990 -6.217 1.00 0.00 C ATOM 815 OE1 GLU A 52 17.609 9.859 -7.410 1.00 0.00 O ATOM 816 OE2 GLU A 52 16.298 10.696 -5.858 1.00 0.00 O ATOM 0 H GLU A 52 19.726 6.667 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 52 19.198 8.141 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.096 8.962 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.875 10.088 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.638 8.258 -5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.950 9.777 -4.203 1.00 0.00 H new ATOM 823 N ALA A 53 21.794 7.035 -7.542 1.00 0.00 N ATOM 824 CA ALA A 53 23.170 6.994 -8.019 1.00 0.00 C ATOM 825 C ALA A 53 23.282 7.578 -9.423 1.00 0.00 C ATOM 826 O ALA A 53 24.148 8.411 -9.692 1.00 0.00 O ATOM 827 CB ALA A 53 23.694 5.566 -7.995 1.00 0.00 C ATOM 0 H ALA A 53 21.267 6.177 -7.701 1.00 0.00 H new ATOM 0 HA ALA A 53 23.779 7.604 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 53 24.723 5.550 -8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 53 23.659 5.183 -6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.075 4.941 -8.639 1.00 0.00 H new ATOM 833 N ALA A 54 22.402 7.135 -10.315 1.00 0.00 N ATOM 834 CA ALA A 54 22.402 7.615 -11.691 1.00 0.00 C ATOM 835 C ALA A 54 22.792 9.088 -11.759 1.00 0.00 C ATOM 836 O ALA A 54 22.456 9.871 -10.870 1.00 0.00 O ATOM 837 CB ALA A 54 21.036 7.399 -12.325 1.00 0.00 C ATOM 0 H ALA A 54 21.680 6.444 -10.109 1.00 0.00 H new ATOM 0 HA ALA A 54 23.144 7.044 -12.249 1.00 0.00 H new ATOM 0 HB1 ALA A 54 21.050 7.762 -13.353 1.00 0.00 H new ATOM 0 HB2 ALA A 54 20.796 6.336 -12.319 1.00 0.00 H new ATOM 0 HB3 ALA A 54 20.281 7.944 -11.758 1.00 0.00 H new ATOM 843 N LEU A 55 23.503 9.458 -12.818 1.00 0.00 N ATOM 844 CA LEU A 55 23.940 10.838 -13.002 1.00 0.00 C ATOM 845 C LEU A 55 22.782 11.808 -12.791 1.00 0.00 C ATOM 846 O LEU A 55 21.627 11.479 -13.057 1.00 0.00 O ATOM 847 CB LEU A 55 24.529 11.025 -14.401 1.00 0.00 C ATOM 848 CG LEU A 55 26.010 10.678 -14.558 1.00 0.00 C ATOM 849 CD1 LEU A 55 26.208 9.170 -14.554 1.00 0.00 C ATOM 850 CD2 LEU A 55 26.569 11.288 -15.835 1.00 0.00 C ATOM 0 H LEU A 55 23.789 8.822 -13.562 1.00 0.00 H new ATOM 0 HA LEU A 55 24.709 11.052 -12.260 1.00 0.00 H new ATOM 0 HB2 LEU A 55 23.957 10.413 -15.099 1.00 0.00 H new ATOM 0 HB3 LEU A 55 24.387 12.064 -14.697 1.00 0.00 H new ATOM 0 HG LEU A 55 26.553 11.098 -13.711 1.00 0.00 H new ATOM 0 HD11 LEU A 55 27.268 8.942 -14.667 1.00 0.00 H new ATOM 0 HD12 LEU A 55 25.846 8.758 -13.612 1.00 0.00 H new ATOM 0 HD13 LEU A 55 25.652 8.728 -15.381 1.00 0.00 H new ATOM 0 HD21 LEU A 55 27.624 11.030 -15.930 1.00 0.00 H new ATOM 0 HD22 LEU A 55 26.022 10.899 -16.694 1.00 0.00 H new ATOM 0 HD23 LEU A 55 26.462 12.372 -15.797 1.00 0.00 H new ATOM 862 N ASN A 56 23.101 13.007 -12.314 1.00 0.00 N ATOM 863 CA ASN A 56 22.087 14.027 -12.070 1.00 0.00 C ATOM 864 C ASN A 56 21.210 14.228 -13.302 1.00 0.00 C ATOM 865 O ASN A 56 21.585 13.853 -14.413 1.00 0.00 O ATOM 866 CB ASN A 56 22.748 15.350 -11.679 1.00 0.00 C ATOM 867 CG ASN A 56 23.208 15.362 -10.234 1.00 0.00 C ATOM 868 OD1 ASN A 56 22.420 15.128 -9.318 1.00 0.00 O ATOM 869 ND2 ASN A 56 24.491 15.634 -10.023 1.00 0.00 N ATOM 0 H ASN A 56 24.053 13.296 -12.089 1.00 0.00 H new ATOM 0 HA ASN A 56 21.456 13.687 -11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 56 23.602 15.533 -12.331 1.00 0.00 H new ATOM 0 HB3 ASN A 56 22.044 16.166 -11.840 1.00 0.00 H new ATOM 0 HD21 ASN A 56 24.858 15.655 -9.072 1.00 0.00 H new ATOM 0 HD22 ASN A 56 25.109 15.822 -10.812 1.00 0.00 H new ATOM 876 N LYS A 57 20.040 14.824 -13.097 1.00 0.00 N ATOM 877 CA LYS A 57 19.109 15.078 -14.190 1.00 0.00 C ATOM 878 C LYS A 57 19.740 15.983 -15.243 1.00 0.00 C ATOM 879 O LYS A 57 20.540 16.862 -14.920 1.00 0.00 O ATOM 880 CB LYS A 57 17.825 15.717 -13.655 1.00 0.00 C ATOM 881 CG LYS A 57 16.846 14.715 -13.068 1.00 0.00 C ATOM 882 CD LYS A 57 16.165 13.899 -14.154 1.00 0.00 C ATOM 883 CE LYS A 57 15.065 14.694 -14.842 1.00 0.00 C ATOM 884 NZ LYS A 57 13.979 13.812 -15.352 1.00 0.00 N ATOM 0 H LYS A 57 19.714 15.140 -12.184 1.00 0.00 H new ATOM 0 HA LYS A 57 18.865 14.123 -14.656 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.085 16.449 -12.890 1.00 0.00 H new ATOM 0 HB3 LYS A 57 17.335 16.260 -14.463 1.00 0.00 H new ATOM 0 HG2 LYS A 57 17.372 14.047 -12.386 1.00 0.00 H new ATOM 0 HG3 LYS A 57 16.093 15.241 -12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 57 16.904 13.585 -14.891 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.743 12.993 -13.719 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.647 15.417 -14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.491 15.262 -15.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.249 14.391 -15.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.373 13.139 -16.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.555 13.289 -14.559 1.00 0.00 H new ATOM 898 N ASP A 58 19.373 15.765 -16.501 1.00 0.00 N ATOM 899 CA ASP A 58 19.901 16.563 -17.601 1.00 0.00 C ATOM 900 C ASP A 58 19.661 18.050 -17.357 1.00 0.00 C ATOM 901 O ASP A 58 18.885 18.427 -16.480 1.00 0.00 O ATOM 902 CB ASP A 58 19.257 16.140 -18.922 1.00 0.00 C ATOM 903 CG ASP A 58 17.903 16.786 -19.139 1.00 0.00 C ATOM 904 OD1 ASP A 58 17.274 17.194 -18.141 1.00 0.00 O ATOM 905 OD2 ASP A 58 17.472 16.882 -20.307 1.00 0.00 O ATOM 0 H ASP A 58 18.712 15.042 -16.784 1.00 0.00 H new ATOM 0 HA ASP A 58 20.976 16.391 -17.659 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.919 16.405 -19.747 1.00 0.00 H new ATOM 0 HB3 ASP A 58 19.146 15.056 -18.938 1.00 0.00 H new ATOM 910 N GLU A 59 20.334 18.889 -18.139 1.00 0.00 N ATOM 911 CA GLU A 59 20.195 20.334 -18.006 1.00 0.00 C ATOM 912 C GLU A 59 18.963 20.833 -18.757 1.00 0.00 C ATOM 913 O GLU A 59 18.463 20.168 -19.662 1.00 0.00 O ATOM 914 CB GLU A 59 21.447 21.040 -18.531 1.00 0.00 C ATOM 915 CG GLU A 59 22.716 20.663 -17.786 1.00 0.00 C ATOM 916 CD GLU A 59 22.882 21.432 -16.491 1.00 0.00 C ATOM 917 OE1 GLU A 59 22.132 21.150 -15.533 1.00 0.00 O ATOM 918 OE2 GLU A 59 23.762 22.317 -16.434 1.00 0.00 O ATOM 0 H GLU A 59 20.980 18.593 -18.870 1.00 0.00 H new ATOM 0 HA GLU A 59 20.073 20.566 -16.948 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.572 20.802 -19.587 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.302 22.118 -18.462 1.00 0.00 H new ATOM 0 HG2 GLU A 59 22.703 19.595 -17.571 1.00 0.00 H new ATOM 0 HG3 GLU A 59 23.578 20.848 -18.427 1.00 0.00 H new ATOM 925 N GLY A 60 18.479 22.010 -18.371 1.00 0.00 N ATOM 926 CA GLY A 60 17.311 22.579 -19.017 1.00 0.00 C ATOM 927 C GLY A 60 16.349 23.206 -18.027 1.00 0.00 C ATOM 928 O GLY A 60 15.517 22.516 -17.438 1.00 0.00 O ATOM 0 H GLY A 60 18.875 22.579 -17.623 1.00 0.00 H new ATOM 0 HA2 GLY A 60 17.629 23.333 -19.737 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.794 21.800 -19.578 1.00 0.00 H new ATOM 932 N ASN A 61 16.464 24.517 -17.841 1.00 0.00 N ATOM 933 CA ASN A 61 15.598 25.236 -16.914 1.00 0.00 C ATOM 934 C ASN A 61 14.389 25.820 -17.638 1.00 0.00 C ATOM 935 O ASN A 61 14.529 26.688 -18.499 1.00 0.00 O ATOM 936 CB ASN A 61 16.379 26.354 -16.219 1.00 0.00 C ATOM 937 CG ASN A 61 15.728 26.793 -14.921 1.00 0.00 C ATOM 938 OD1 ASN A 61 16.066 26.300 -13.846 1.00 0.00 O ATOM 939 ND2 ASN A 61 14.787 27.726 -15.018 1.00 0.00 N ATOM 0 H ASN A 61 17.148 25.103 -18.320 1.00 0.00 H new ATOM 0 HA ASN A 61 15.242 24.528 -16.165 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.394 26.013 -16.016 1.00 0.00 H new ATOM 0 HB3 ASN A 61 16.459 27.209 -16.890 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.313 28.061 -14.179 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.539 28.107 -15.931 1.00 0.00 H new ATOM 946 N GLU A 62 13.203 25.336 -17.283 1.00 0.00 N ATOM 947 CA GLU A 62 11.970 25.810 -17.900 1.00 0.00 C ATOM 948 C GLU A 62 11.284 26.848 -17.018 1.00 0.00 C ATOM 949 O GLU A 62 10.802 27.871 -17.504 1.00 0.00 O ATOM 950 CB GLU A 62 11.020 24.638 -18.160 1.00 0.00 C ATOM 951 CG GLU A 62 9.662 25.062 -18.693 1.00 0.00 C ATOM 952 CD GLU A 62 8.867 23.899 -19.254 1.00 0.00 C ATOM 953 OE1 GLU A 62 9.491 22.937 -19.748 1.00 0.00 O ATOM 954 OE2 GLU A 62 7.620 23.953 -19.200 1.00 0.00 O ATOM 0 H GLU A 62 13.070 24.617 -16.572 1.00 0.00 H new ATOM 0 HA GLU A 62 12.227 26.278 -18.850 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.484 23.956 -18.873 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.880 24.082 -17.233 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.093 25.534 -17.892 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.799 25.813 -19.471 1.00 0.00 H new ATOM 961 N SER A 63 11.244 26.578 -15.717 1.00 0.00 N ATOM 962 CA SER A 63 10.614 27.486 -14.766 1.00 0.00 C ATOM 963 C SER A 63 9.100 27.507 -14.957 1.00 0.00 C ATOM 964 O SER A 63 8.478 28.569 -14.955 1.00 0.00 O ATOM 965 CB SER A 63 11.180 28.898 -14.925 1.00 0.00 C ATOM 966 OG SER A 63 11.101 29.619 -13.708 1.00 0.00 O ATOM 0 H SER A 63 11.641 25.737 -15.297 1.00 0.00 H new ATOM 0 HA SER A 63 10.831 27.127 -13.760 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.218 28.842 -15.252 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.630 29.428 -15.702 1.00 0.00 H new ATOM 0 HG SER A 63 11.470 30.518 -13.836 1.00 0.00 H new ATOM 972 N GLY A 64 8.514 26.325 -15.121 1.00 0.00 N ATOM 973 CA GLY A 64 7.078 26.230 -15.311 1.00 0.00 C ATOM 974 C GLY A 64 6.454 25.135 -14.469 1.00 0.00 C ATOM 975 O GLY A 64 6.016 24.111 -14.993 1.00 0.00 O ATOM 0 H GLY A 64 9.007 25.432 -15.126 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.617 27.185 -15.059 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.865 26.041 -16.363 1.00 0.00 H new ATOM 979 N LYS A 65 6.413 25.351 -13.158 1.00 0.00 N ATOM 980 CA LYS A 65 5.838 24.375 -12.240 1.00 0.00 C ATOM 981 C LYS A 65 4.371 24.688 -11.963 1.00 0.00 C ATOM 982 O LYS A 65 3.897 25.789 -12.240 1.00 0.00 O ATOM 983 CB LYS A 65 6.623 24.356 -10.926 1.00 0.00 C ATOM 984 CG LYS A 65 6.433 25.607 -10.086 1.00 0.00 C ATOM 985 CD LYS A 65 7.581 25.802 -9.109 1.00 0.00 C ATOM 986 CE LYS A 65 7.302 25.119 -7.779 1.00 0.00 C ATOM 987 NZ LYS A 65 7.436 23.640 -7.875 1.00 0.00 N ATOM 0 H LYS A 65 6.771 26.193 -12.708 1.00 0.00 H new ATOM 0 HA LYS A 65 5.900 23.392 -12.708 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.318 23.487 -10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.683 24.235 -11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.358 26.477 -10.739 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.494 25.538 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.499 25.402 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.744 26.867 -8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.992 25.498 -7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.295 25.371 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.660 23.250 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.542 23.232 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.200 23.403 -8.540 1.00 0.00 H new ATOM 1001 N LYS A 66 3.656 23.712 -11.412 1.00 0.00 N ATOM 1002 CA LYS A 66 2.244 23.883 -11.095 1.00 0.00 C ATOM 1003 C LYS A 66 1.957 25.310 -10.639 1.00 0.00 C ATOM 1004 O LYS A 66 1.022 25.951 -11.120 1.00 0.00 O ATOM 1005 CB LYS A 66 1.821 22.894 -10.006 1.00 0.00 C ATOM 1006 CG LYS A 66 1.698 21.463 -10.499 1.00 0.00 C ATOM 1007 CD LYS A 66 1.699 20.473 -9.345 1.00 0.00 C ATOM 1008 CE LYS A 66 2.009 19.062 -9.821 1.00 0.00 C ATOM 1009 NZ LYS A 66 3.399 18.945 -10.342 1.00 0.00 N ATOM 0 H LYS A 66 4.033 22.794 -11.176 1.00 0.00 H new ATOM 0 HA LYS A 66 1.668 23.687 -12.000 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.547 22.928 -9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.864 23.210 -9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.778 21.353 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.524 21.237 -11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.437 20.778 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.727 20.486 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.870 18.362 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.303 18.779 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.707 17.953 -10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.427 19.265 -11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.035 19.535 -9.769 1.00 0.00 H new ATOM 1023 N THR A 67 2.769 25.803 -9.708 1.00 0.00 N ATOM 1024 CA THR A 67 2.603 27.155 -9.188 1.00 0.00 C ATOM 1025 C THR A 67 3.746 28.059 -9.633 1.00 0.00 C ATOM 1026 O THR A 67 4.775 28.149 -8.964 1.00 0.00 O ATOM 1027 CB THR A 67 2.528 27.159 -7.650 1.00 0.00 C ATOM 1028 OG1 THR A 67 3.629 26.423 -7.104 1.00 0.00 O ATOM 1029 CG2 THR A 67 1.218 26.552 -7.169 1.00 0.00 C ATOM 0 H THR A 67 3.548 25.286 -9.299 1.00 0.00 H new ATOM 0 HA THR A 67 1.665 27.536 -9.591 1.00 0.00 H new ATOM 0 HB THR A 67 2.577 28.193 -7.309 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.460 26.709 -7.537 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.189 26.566 -6.079 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.383 27.131 -7.562 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.143 25.523 -7.521 1.00 0.00 H new ATOM 1037 N SER A 68 3.558 28.729 -10.766 1.00 0.00 N ATOM 1038 CA SER A 68 4.576 29.625 -11.301 1.00 0.00 C ATOM 1039 C SER A 68 3.937 30.859 -11.931 1.00 0.00 C ATOM 1040 O SER A 68 2.782 30.826 -12.354 1.00 0.00 O ATOM 1041 CB SER A 68 5.434 28.896 -12.337 1.00 0.00 C ATOM 1042 OG SER A 68 6.376 29.774 -12.929 1.00 0.00 O ATOM 0 H SER A 68 2.711 28.668 -11.330 1.00 0.00 H new ATOM 0 HA SER A 68 5.211 29.947 -10.476 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.955 28.065 -11.862 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.793 28.470 -13.110 1.00 0.00 H new ATOM 0 HG SER A 68 6.962 29.268 -13.530 1.00 0.00 H new ATOM 1048 N GLY A 69 4.698 31.948 -11.990 1.00 0.00 N ATOM 1049 CA GLY A 69 4.190 33.177 -12.570 1.00 0.00 C ATOM 1050 C GLY A 69 5.203 34.304 -12.520 1.00 0.00 C ATOM 1051 O GLY A 69 6.400 34.083 -12.334 1.00 0.00 O ATOM 0 H GLY A 69 5.657 32.001 -11.646 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.904 32.995 -13.606 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.288 33.480 -12.039 1.00 0.00 H new ATOM 1055 N PRO A 70 4.723 35.544 -12.692 1.00 0.00 N ATOM 1056 CA PRO A 70 5.580 36.734 -12.671 1.00 0.00 C ATOM 1057 C PRO A 70 6.125 37.032 -11.279 1.00 0.00 C ATOM 1058 O PRO A 70 5.369 37.340 -10.358 1.00 0.00 O ATOM 1059 CB PRO A 70 4.642 37.854 -13.129 1.00 0.00 C ATOM 1060 CG PRO A 70 3.278 37.378 -12.767 1.00 0.00 C ATOM 1061 CD PRO A 70 3.308 35.882 -12.918 1.00 0.00 C ATOM 0 HA PRO A 70 6.461 36.613 -13.301 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.877 38.795 -12.632 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.729 38.029 -14.201 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.024 37.662 -11.746 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.524 37.821 -13.418 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.657 35.392 -12.194 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.974 35.571 -13.908 1.00 0.00 H new ATOM 1069 N SER A 71 7.443 36.938 -11.132 1.00 0.00 N ATOM 1070 CA SER A 71 8.089 37.194 -9.850 1.00 0.00 C ATOM 1071 C SER A 71 8.872 38.503 -9.888 1.00 0.00 C ATOM 1072 O SER A 71 8.773 39.325 -8.977 1.00 0.00 O ATOM 1073 CB SER A 71 9.024 36.038 -9.486 1.00 0.00 C ATOM 1074 OG SER A 71 10.058 35.898 -10.444 1.00 0.00 O ATOM 0 H SER A 71 8.084 36.687 -11.885 1.00 0.00 H new ATOM 0 HA SER A 71 7.312 37.277 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.457 36.213 -8.501 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.454 35.111 -9.423 1.00 0.00 H new ATOM 0 HG SER A 71 10.643 35.154 -10.188 1.00 0.00 H new ATOM 1080 N SER A 72 9.650 38.689 -10.950 1.00 0.00 N ATOM 1081 CA SER A 72 10.453 39.896 -11.106 1.00 0.00 C ATOM 1082 C SER A 72 9.705 41.118 -10.583 1.00 0.00 C ATOM 1083 O SER A 72 10.265 41.939 -9.858 1.00 0.00 O ATOM 1084 CB SER A 72 10.823 40.101 -12.577 1.00 0.00 C ATOM 1085 OG SER A 72 11.867 39.226 -12.967 1.00 0.00 O ATOM 0 H SER A 72 9.741 38.020 -11.714 1.00 0.00 H new ATOM 0 HA SER A 72 11.365 39.773 -10.523 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.947 39.929 -13.203 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.131 41.134 -12.737 1.00 0.00 H new ATOM 0 HG SER A 72 12.084 39.375 -13.911 1.00 0.00 H new ATOM 1091 N GLY A 73 8.434 41.231 -10.958 1.00 0.00 N ATOM 1092 CA GLY A 73 7.629 42.356 -10.518 1.00 0.00 C ATOM 1093 C GLY A 73 7.364 43.350 -11.631 1.00 0.00 C ATOM 1094 O GLY A 73 7.871 44.468 -11.569 1.00 0.00 O ATOM 0 H GLY A 73 7.948 40.564 -11.558 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.679 41.989 -10.129 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.136 42.862 -9.696 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.987 -0.190 -6.014 1.00 0.00 ZN