USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 564 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 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 50 HIS : no HE2:sc= -0.716 K(o=-0.61,f=-2.1) USER MOD Set 1.2: A 71 TYR OH : rot 77:sc= 0.107 USER MOD Set 2.1: A 40 THR OG1 : rot -4:sc= 0.204! USER MOD Set 2.2: A 58 LYS NZ :NH3+ -126:sc= 0.767 (180deg=-1.94!) USER MOD Set 3.1: A 28 SER OG : rot 180:sc= -0.243 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -173:sc= -0.0195 (180deg=-0.024) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0337 USER MOD Single : A 3 SER OG : rot 29:sc= 0.153 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0542 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-0.41) USER MOD Single : A 11 SER OG : rot -57:sc= 0.692 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-0.6) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 161:sc= -0.454 (180deg=-1.52!) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0695 K(o=-0.069,f=-1.8!) USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.197) USER MOD Single : A 47 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.11) USER MOD Single : A 53 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -113:sc=-0.00232 (180deg=-0.693) USER MOD Single : A 68 GLN : amide:sc= -0.677 K(o=-0.68,f=-4.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -48.012 -9.645 -2.085 1.00 0.00 N ATOM 2 CA GLY A 1 -47.386 -8.336 -2.062 1.00 0.00 C ATOM 3 C GLY A 1 -45.872 -8.418 -2.047 1.00 0.00 C ATOM 4 O GLY A 1 -45.256 -8.430 -0.981 1.00 0.00 O ATOM 0 H1 GLY A 1 -49.046 -9.535 -2.095 1.00 0.00 H new ATOM 0 H2 GLY A 1 -47.711 -10.159 -2.937 1.00 0.00 H new ATOM 0 H3 GLY A 1 -47.729 -10.180 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -47.707 -7.767 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -47.726 -7.789 -1.182 1.00 0.00 H new ATOM 8 N SER A 2 -45.272 -8.476 -3.231 1.00 0.00 N ATOM 9 CA SER A 2 -43.821 -8.563 -3.349 1.00 0.00 C ATOM 10 C SER A 2 -43.343 -7.934 -4.654 1.00 0.00 C ATOM 11 O SER A 2 -44.149 -7.550 -5.502 1.00 0.00 O ATOM 12 CB SER A 2 -43.369 -10.023 -3.279 1.00 0.00 C ATOM 13 OG SER A 2 -41.972 -10.114 -3.059 1.00 0.00 O ATOM 0 H SER A 2 -45.768 -8.464 -4.122 1.00 0.00 H new ATOM 0 HA SER A 2 -43.380 -8.013 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 2 -43.901 -10.534 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 2 -43.628 -10.532 -4.207 1.00 0.00 H new ATOM 0 HG SER A 2 -41.708 -11.057 -3.016 1.00 0.00 H new ATOM 19 N SER A 3 -42.027 -7.830 -4.807 1.00 0.00 N ATOM 20 CA SER A 3 -41.440 -7.244 -6.006 1.00 0.00 C ATOM 21 C SER A 3 -40.074 -7.856 -6.298 1.00 0.00 C ATOM 22 O SER A 3 -39.588 -8.703 -5.549 1.00 0.00 O ATOM 23 CB SER A 3 -41.310 -5.728 -5.847 1.00 0.00 C ATOM 24 OG SER A 3 -42.487 -5.067 -6.277 1.00 0.00 O ATOM 0 H SER A 3 -41.347 -8.144 -4.115 1.00 0.00 H new ATOM 0 HA SER A 3 -42.101 -7.459 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 3 -41.113 -5.484 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 3 -40.457 -5.371 -6.424 1.00 0.00 H new ATOM 0 HG SER A 3 -43.259 -5.656 -6.147 1.00 0.00 H new ATOM 30 N GLY A 4 -39.458 -7.420 -7.393 1.00 0.00 N ATOM 31 CA GLY A 4 -38.153 -7.935 -7.765 1.00 0.00 C ATOM 32 C GLY A 4 -37.396 -6.990 -8.677 1.00 0.00 C ATOM 33 O GLY A 4 -37.859 -6.668 -9.771 1.00 0.00 O ATOM 0 H GLY A 4 -39.839 -6.720 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -37.566 -8.114 -6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -38.274 -8.897 -8.263 1.00 0.00 H new ATOM 37 N SER A 5 -36.228 -6.543 -8.225 1.00 0.00 N ATOM 38 CA SER A 5 -35.408 -5.625 -9.005 1.00 0.00 C ATOM 39 C SER A 5 -33.932 -5.777 -8.648 1.00 0.00 C ATOM 40 O SER A 5 -33.589 -6.158 -7.529 1.00 0.00 O ATOM 41 CB SER A 5 -35.854 -4.181 -8.769 1.00 0.00 C ATOM 42 OG SER A 5 -37.214 -4.003 -9.126 1.00 0.00 O ATOM 0 H SER A 5 -35.829 -6.802 -7.323 1.00 0.00 H new ATOM 0 HA SER A 5 -35.537 -5.870 -10.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 -35.713 -3.920 -7.720 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.230 -3.504 -9.353 1.00 0.00 H new ATOM 0 HG SER A 5 -37.476 -3.072 -8.964 1.00 0.00 H new ATOM 48 N SER A 6 -33.063 -5.478 -9.609 1.00 0.00 N ATOM 49 CA SER A 6 -31.624 -5.585 -9.398 1.00 0.00 C ATOM 50 C SER A 6 -30.929 -4.264 -9.714 1.00 0.00 C ATOM 51 O SER A 6 -31.316 -3.551 -10.639 1.00 0.00 O ATOM 52 CB SER A 6 -31.042 -6.701 -10.268 1.00 0.00 C ATOM 53 OG SER A 6 -31.688 -7.936 -10.013 1.00 0.00 O ATOM 0 H SER A 6 -33.330 -5.160 -10.541 1.00 0.00 H new ATOM 0 HA SER A 6 -31.452 -5.824 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.152 -6.440 -11.321 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.974 -6.799 -10.073 1.00 0.00 H new ATOM 0 HG SER A 6 -31.299 -8.632 -10.583 1.00 0.00 H new ATOM 59 N GLY A 7 -29.899 -3.944 -8.936 1.00 0.00 N ATOM 60 CA GLY A 7 -29.166 -2.710 -9.147 1.00 0.00 C ATOM 61 C GLY A 7 -27.702 -2.834 -8.775 1.00 0.00 C ATOM 62 O GLY A 7 -27.285 -2.385 -7.707 1.00 0.00 O ATOM 0 H GLY A 7 -29.560 -4.517 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.248 -2.417 -10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.622 -1.915 -8.557 1.00 0.00 H new ATOM 66 N ARG A 8 -26.919 -3.447 -9.657 1.00 0.00 N ATOM 67 CA ARG A 8 -25.494 -3.632 -9.415 1.00 0.00 C ATOM 68 C ARG A 8 -24.684 -3.331 -10.673 1.00 0.00 C ATOM 69 O ARG A 8 -25.097 -3.664 -11.784 1.00 0.00 O ATOM 70 CB ARG A 8 -25.216 -5.062 -8.946 1.00 0.00 C ATOM 71 CG ARG A 8 -25.368 -5.252 -7.446 1.00 0.00 C ATOM 72 CD ARG A 8 -25.532 -6.720 -7.084 1.00 0.00 C ATOM 73 NE ARG A 8 -25.591 -6.924 -5.639 1.00 0.00 N ATOM 74 CZ ARG A 8 -25.280 -8.071 -5.046 1.00 0.00 C ATOM 75 NH1 ARG A 8 -24.891 -9.112 -5.770 1.00 0.00 N ATOM 76 NH2 ARG A 8 -25.359 -8.180 -3.726 1.00 0.00 N ATOM 0 H ARG A 8 -27.248 -3.824 -10.546 1.00 0.00 H new ATOM 0 HA ARG A 8 -25.191 -2.935 -8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -25.895 -5.742 -9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.204 -5.341 -9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.494 -4.846 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -26.233 -4.690 -7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.442 -7.107 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.700 -7.290 -7.497 1.00 0.00 H new ATOM 0 HE ARG A 8 -25.887 -6.143 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -24.830 -9.033 -6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -24.653 -9.992 -5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -25.659 -7.382 -3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -25.120 -9.061 -3.272 1.00 0.00 H new ATOM 90 N THR A 9 -23.529 -2.698 -10.490 1.00 0.00 N ATOM 91 CA THR A 9 -22.663 -2.351 -11.609 1.00 0.00 C ATOM 92 C THR A 9 -21.204 -2.654 -11.290 1.00 0.00 C ATOM 93 O THR A 9 -20.724 -2.363 -10.194 1.00 0.00 O ATOM 94 CB THR A 9 -22.797 -0.862 -11.982 1.00 0.00 C ATOM 95 OG1 THR A 9 -22.517 -0.044 -10.841 1.00 0.00 O ATOM 96 CG2 THR A 9 -24.195 -0.558 -12.500 1.00 0.00 C ATOM 0 H THR A 9 -23.172 -2.416 -9.577 1.00 0.00 H new ATOM 0 HA THR A 9 -22.981 -2.960 -12.455 1.00 0.00 H new ATOM 0 HB THR A 9 -22.078 -0.642 -12.771 1.00 0.00 H new ATOM 0 HG1 THR A 9 -22.603 0.901 -11.087 1.00 0.00 H new ATOM 0 HG21 THR A 9 -24.266 0.499 -12.757 1.00 0.00 H new ATOM 0 HG22 THR A 9 -24.394 -1.161 -13.386 1.00 0.00 H new ATOM 0 HG23 THR A 9 -24.928 -0.794 -11.729 1.00 0.00 H new ATOM 104 N HIS A 10 -20.501 -3.239 -12.254 1.00 0.00 N ATOM 105 CA HIS A 10 -19.094 -3.580 -12.076 1.00 0.00 C ATOM 106 C HIS A 10 -18.220 -2.331 -12.137 1.00 0.00 C ATOM 107 O HIS A 10 -18.222 -1.609 -13.133 1.00 0.00 O ATOM 108 CB HIS A 10 -18.650 -4.580 -13.144 1.00 0.00 C ATOM 109 CG HIS A 10 -17.189 -4.903 -13.091 1.00 0.00 C ATOM 110 ND1 HIS A 10 -16.517 -5.166 -11.916 1.00 0.00 N ATOM 111 CD2 HIS A 10 -16.269 -5.006 -14.079 1.00 0.00 C ATOM 112 CE1 HIS A 10 -15.248 -5.415 -12.183 1.00 0.00 C ATOM 113 NE2 HIS A 10 -15.071 -5.325 -13.489 1.00 0.00 N ATOM 0 H HIS A 10 -20.883 -3.487 -13.167 1.00 0.00 H new ATOM 0 HA HIS A 10 -18.978 -4.035 -11.092 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -19.222 -5.501 -13.028 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -18.889 -4.178 -14.128 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -16.445 -4.864 -15.135 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -14.484 -5.652 -11.457 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -14.188 -5.469 -13.979 1.00 0.00 H new ATOM 121 N SER A 11 -17.475 -2.083 -11.064 1.00 0.00 N ATOM 122 CA SER A 11 -16.600 -0.919 -10.994 1.00 0.00 C ATOM 123 C SER A 11 -15.134 -1.342 -10.973 1.00 0.00 C ATOM 124 O SER A 11 -14.325 -0.780 -10.235 1.00 0.00 O ATOM 125 CB SER A 11 -16.921 -0.087 -9.751 1.00 0.00 C ATOM 126 OG SER A 11 -16.155 1.106 -9.724 1.00 0.00 O ATOM 0 H SER A 11 -17.460 -2.673 -10.232 1.00 0.00 H new ATOM 0 HA SER A 11 -16.772 -0.312 -11.883 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.983 0.159 -9.738 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.718 -0.673 -8.855 1.00 0.00 H new ATOM 0 HG SER A 11 -15.201 0.884 -9.766 1.00 0.00 H new ATOM 132 N GLY A 12 -14.799 -2.338 -11.788 1.00 0.00 N ATOM 133 CA GLY A 12 -13.432 -2.820 -11.847 1.00 0.00 C ATOM 134 C GLY A 12 -13.057 -3.652 -10.636 1.00 0.00 C ATOM 135 O GLY A 12 -13.595 -3.451 -9.548 1.00 0.00 O ATOM 0 H GLY A 12 -15.450 -2.819 -12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.299 -3.417 -12.749 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.754 -1.970 -11.924 1.00 0.00 H new ATOM 139 N GLU A 13 -12.134 -4.589 -10.827 1.00 0.00 N ATOM 140 CA GLU A 13 -11.691 -5.455 -9.741 1.00 0.00 C ATOM 141 C GLU A 13 -10.372 -4.961 -9.154 1.00 0.00 C ATOM 142 O GLU A 13 -9.338 -4.974 -9.822 1.00 0.00 O ATOM 143 CB GLU A 13 -11.532 -6.893 -10.238 1.00 0.00 C ATOM 144 CG GLU A 13 -10.816 -7.803 -9.254 1.00 0.00 C ATOM 145 CD GLU A 13 -11.069 -9.273 -9.527 1.00 0.00 C ATOM 146 OE1 GLU A 13 -12.170 -9.757 -9.190 1.00 0.00 O ATOM 147 OE2 GLU A 13 -10.168 -9.939 -10.077 1.00 0.00 O ATOM 0 H GLU A 13 -11.679 -4.768 -11.722 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.450 -5.430 -8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.518 -7.306 -10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.981 -6.884 -11.179 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.744 -7.608 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.141 -7.564 -8.241 1.00 0.00 H new ATOM 154 N LYS A 14 -10.416 -4.523 -7.900 1.00 0.00 N ATOM 155 CA LYS A 14 -9.227 -4.024 -7.220 1.00 0.00 C ATOM 156 C LYS A 14 -9.322 -4.257 -5.716 1.00 0.00 C ATOM 157 O LYS A 14 -10.048 -3.565 -5.001 1.00 0.00 O ATOM 158 CB LYS A 14 -9.039 -2.533 -7.506 1.00 0.00 C ATOM 159 CG LYS A 14 -8.791 -2.220 -8.972 1.00 0.00 C ATOM 160 CD LYS A 14 -8.957 -0.738 -9.262 1.00 0.00 C ATOM 161 CE LYS A 14 -8.669 -0.420 -10.721 1.00 0.00 C ATOM 162 NZ LYS A 14 -8.290 1.007 -10.913 1.00 0.00 N ATOM 0 H LYS A 14 -11.264 -4.504 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.365 -4.572 -7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.926 -1.993 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.200 -2.162 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.784 -2.535 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.484 -2.792 -9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.973 -0.429 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.285 -0.164 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.864 -1.061 -11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.549 -0.646 -11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.102 1.184 -11.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.068 1.619 -10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.435 1.217 -10.359 1.00 0.00 H new ATOM 176 N PRO A 15 -8.571 -5.252 -5.221 1.00 0.00 N ATOM 177 CA PRO A 15 -8.552 -5.597 -3.797 1.00 0.00 C ATOM 178 C PRO A 15 -7.867 -4.528 -2.951 1.00 0.00 C ATOM 179 O PRO A 15 -7.745 -4.670 -1.734 1.00 0.00 O ATOM 180 CB PRO A 15 -7.753 -6.902 -3.758 1.00 0.00 C ATOM 181 CG PRO A 15 -6.889 -6.853 -4.970 1.00 0.00 C ATOM 182 CD PRO A 15 -7.682 -6.117 -6.015 1.00 0.00 C ATOM 0 HA PRO A 15 -9.558 -5.685 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.156 -6.974 -2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.412 -7.770 -3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.950 -6.340 -4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.635 -7.857 -5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.037 -5.535 -6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.247 -6.802 -6.647 1.00 0.00 H new ATOM 190 N TYR A 16 -7.423 -3.460 -3.602 1.00 0.00 N ATOM 191 CA TYR A 16 -6.749 -2.368 -2.910 1.00 0.00 C ATOM 192 C TYR A 16 -7.391 -1.027 -3.252 1.00 0.00 C ATOM 193 O TYR A 16 -8.016 -0.876 -4.302 1.00 0.00 O ATOM 194 CB TYR A 16 -5.264 -2.344 -3.276 1.00 0.00 C ATOM 195 CG TYR A 16 -4.461 -3.445 -2.621 1.00 0.00 C ATOM 196 CD1 TYR A 16 -3.957 -3.293 -1.335 1.00 0.00 C ATOM 197 CD2 TYR A 16 -4.205 -4.636 -3.288 1.00 0.00 C ATOM 198 CE1 TYR A 16 -3.222 -4.296 -0.732 1.00 0.00 C ATOM 199 CE2 TYR A 16 -3.473 -5.645 -2.693 1.00 0.00 C ATOM 200 CZ TYR A 16 -2.983 -5.470 -1.415 1.00 0.00 C ATOM 201 OH TYR A 16 -2.252 -6.472 -0.820 1.00 0.00 O ATOM 0 H TYR A 16 -7.517 -3.327 -4.609 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.849 -2.535 -1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.164 -2.427 -4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.844 -1.380 -2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.143 -2.375 -0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.585 -4.776 -4.289 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.837 -4.161 0.268 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.285 -6.566 -3.225 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.176 -7.231 -1.435 1.00 0.00 H new ATOM 211 N GLU A 17 -7.230 -0.056 -2.359 1.00 0.00 N ATOM 212 CA GLU A 17 -7.793 1.273 -2.566 1.00 0.00 C ATOM 213 C GLU A 17 -7.097 2.303 -1.682 1.00 0.00 C ATOM 214 O GLU A 17 -6.578 1.973 -0.615 1.00 0.00 O ATOM 215 CB GLU A 17 -9.295 1.266 -2.274 1.00 0.00 C ATOM 216 CG GLU A 17 -9.980 2.589 -2.574 1.00 0.00 C ATOM 217 CD GLU A 17 -11.348 2.697 -1.928 1.00 0.00 C ATOM 218 OE1 GLU A 17 -11.598 1.973 -0.941 1.00 0.00 O ATOM 219 OE2 GLU A 17 -12.168 3.506 -2.409 1.00 0.00 O ATOM 0 H GLU A 17 -6.715 -0.165 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.634 1.548 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.767 0.480 -2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.451 1.015 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.351 3.407 -2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.082 2.705 -3.653 1.00 0.00 H new ATOM 226 N CYS A 18 -7.089 3.553 -2.133 1.00 0.00 N ATOM 227 CA CYS A 18 -6.456 4.633 -1.385 1.00 0.00 C ATOM 228 C CYS A 18 -7.435 5.255 -0.395 1.00 0.00 C ATOM 229 O CYS A 18 -8.525 5.689 -0.772 1.00 0.00 O ATOM 230 CB CYS A 18 -5.931 5.705 -2.342 1.00 0.00 C ATOM 231 SG CYS A 18 -4.920 6.989 -1.538 1.00 0.00 S ATOM 0 H CYS A 18 -7.514 3.843 -3.014 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.619 4.213 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.337 5.224 -3.119 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.778 6.181 -2.837 1.00 0.00 H new ATOM 236 N TYR A 19 -7.040 5.296 0.873 1.00 0.00 N ATOM 237 CA TYR A 19 -7.883 5.863 1.918 1.00 0.00 C ATOM 238 C TYR A 19 -7.733 7.380 1.977 1.00 0.00 C ATOM 239 O TYR A 19 -8.041 8.007 2.991 1.00 0.00 O ATOM 240 CB TYR A 19 -7.530 5.252 3.275 1.00 0.00 C ATOM 241 CG TYR A 19 -6.049 5.014 3.465 1.00 0.00 C ATOM 242 CD1 TYR A 19 -5.157 6.077 3.531 1.00 0.00 C ATOM 243 CD2 TYR A 19 -5.542 3.725 3.579 1.00 0.00 C ATOM 244 CE1 TYR A 19 -3.803 5.864 3.703 1.00 0.00 C ATOM 245 CE2 TYR A 19 -4.190 3.502 3.753 1.00 0.00 C ATOM 246 CZ TYR A 19 -3.324 4.575 3.814 1.00 0.00 C ATOM 247 OH TYR A 19 -1.977 4.358 3.987 1.00 0.00 O ATOM 0 H TYR A 19 -6.141 4.943 1.201 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.920 5.628 1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.888 5.912 4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.059 4.305 3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.529 7.088 3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.217 2.883 3.531 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.123 6.702 3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.813 2.494 3.841 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.806 3.395 4.048 1.00 0.00 H new ATOM 257 N ILE A 20 -7.257 7.964 0.882 1.00 0.00 N ATOM 258 CA ILE A 20 -7.067 9.407 0.806 1.00 0.00 C ATOM 259 C ILE A 20 -7.970 10.026 -0.255 1.00 0.00 C ATOM 260 O ILE A 20 -8.708 10.973 0.018 1.00 0.00 O ATOM 261 CB ILE A 20 -5.603 9.766 0.492 1.00 0.00 C ATOM 262 CG1 ILE A 20 -4.672 9.182 1.556 1.00 0.00 C ATOM 263 CG2 ILE A 20 -5.435 11.275 0.403 1.00 0.00 C ATOM 264 CD1 ILE A 20 -3.205 9.294 1.202 1.00 0.00 C ATOM 0 H ILE A 20 -6.996 7.459 0.035 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.330 9.812 1.783 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.337 9.333 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.849 9.693 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.922 8.132 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.395 11.513 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.074 11.666 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.716 11.729 1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.604 8.860 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.013 8.759 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.940 10.344 1.078 1.00 0.00 H new ATOM 276 N CYS A 21 -7.908 9.483 -1.466 1.00 0.00 N ATOM 277 CA CYS A 21 -8.721 9.980 -2.570 1.00 0.00 C ATOM 278 C CYS A 21 -9.759 8.944 -2.991 1.00 0.00 C ATOM 279 O CYS A 21 -10.638 9.225 -3.807 1.00 0.00 O ATOM 280 CB CYS A 21 -7.833 10.342 -3.762 1.00 0.00 C ATOM 281 SG CYS A 21 -6.858 8.947 -4.413 1.00 0.00 S ATOM 0 H CYS A 21 -7.303 8.698 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.243 10.874 -2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.460 10.738 -4.561 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.152 11.140 -3.465 1.00 0.00 H new ATOM 286 N HIS A 22 -9.651 7.744 -2.428 1.00 0.00 N ATOM 287 CA HIS A 22 -10.581 6.666 -2.743 1.00 0.00 C ATOM 288 C HIS A 22 -10.294 6.088 -4.126 1.00 0.00 C ATOM 289 O HIS A 22 -11.210 5.700 -4.850 1.00 0.00 O ATOM 290 CB HIS A 22 -12.023 7.171 -2.679 1.00 0.00 C ATOM 291 CG HIS A 22 -12.296 8.051 -1.498 1.00 0.00 C ATOM 292 ND1 HIS A 22 -12.525 7.559 -0.230 1.00 0.00 N ATOM 293 CD2 HIS A 22 -12.376 9.398 -1.397 1.00 0.00 C ATOM 294 CE1 HIS A 22 -12.735 8.566 0.599 1.00 0.00 C ATOM 295 NE2 HIS A 22 -12.649 9.693 -0.084 1.00 0.00 N ATOM 0 H HIS A 22 -8.929 7.494 -1.752 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.447 5.877 -2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.247 7.722 -3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.698 6.316 -2.649 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -12.249 10.109 -2.200 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.942 8.482 1.656 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.766 10.630 0.301 1.00 0.00 H new ATOM 303 N ALA A 23 -9.016 6.034 -4.486 1.00 0.00 N ATOM 304 CA ALA A 23 -8.608 5.503 -5.780 1.00 0.00 C ATOM 305 C ALA A 23 -8.268 4.020 -5.683 1.00 0.00 C ATOM 306 O ALA A 23 -7.268 3.641 -5.073 1.00 0.00 O ATOM 307 CB ALA A 23 -7.419 6.284 -6.321 1.00 0.00 C ATOM 0 H ALA A 23 -8.245 6.352 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.445 5.613 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.125 5.876 -7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.695 7.332 -6.438 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.584 6.204 -5.625 1.00 0.00 H new ATOM 313 N ARG A 24 -9.107 3.184 -6.286 1.00 0.00 N ATOM 314 CA ARG A 24 -8.897 1.742 -6.265 1.00 0.00 C ATOM 315 C ARG A 24 -7.615 1.369 -7.005 1.00 0.00 C ATOM 316 O ARG A 24 -7.133 2.121 -7.852 1.00 0.00 O ATOM 317 CB ARG A 24 -10.090 1.021 -6.896 1.00 0.00 C ATOM 318 CG ARG A 24 -11.425 1.394 -6.273 1.00 0.00 C ATOM 319 CD ARG A 24 -11.783 0.464 -5.124 1.00 0.00 C ATOM 320 NE ARG A 24 -13.176 0.612 -4.713 1.00 0.00 N ATOM 321 CZ ARG A 24 -14.188 -0.005 -5.313 1.00 0.00 C ATOM 322 NH1 ARG A 24 -13.963 -0.808 -6.344 1.00 0.00 N ATOM 323 NH2 ARG A 24 -15.429 0.180 -4.882 1.00 0.00 N ATOM 0 H ARG A 24 -9.939 3.481 -6.795 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.801 1.430 -5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.119 1.249 -7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.944 -0.055 -6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.385 2.422 -5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.206 1.353 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.601 -0.568 -5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.131 0.669 -4.275 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.383 1.222 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.011 -0.954 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.742 -1.280 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.607 0.797 -4.089 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.205 -0.294 -5.344 1.00 0.00 H new ATOM 337 N PHE A 25 -7.067 0.203 -6.678 1.00 0.00 N ATOM 338 CA PHE A 25 -5.841 -0.269 -7.310 1.00 0.00 C ATOM 339 C PHE A 25 -5.836 -1.791 -7.417 1.00 0.00 C ATOM 340 O PHE A 25 -6.019 -2.497 -6.425 1.00 0.00 O ATOM 341 CB PHE A 25 -4.620 0.201 -6.516 1.00 0.00 C ATOM 342 CG PHE A 25 -4.365 1.677 -6.626 1.00 0.00 C ATOM 343 CD1 PHE A 25 -3.608 2.187 -7.668 1.00 0.00 C ATOM 344 CD2 PHE A 25 -4.884 2.555 -5.688 1.00 0.00 C ATOM 345 CE1 PHE A 25 -3.372 3.545 -7.772 1.00 0.00 C ATOM 346 CE2 PHE A 25 -4.652 3.914 -5.786 1.00 0.00 C ATOM 347 CZ PHE A 25 -3.896 4.410 -6.830 1.00 0.00 C ATOM 0 H PHE A 25 -7.453 -0.432 -5.979 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.796 0.149 -8.316 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.757 -0.059 -5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.740 -0.339 -6.865 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.197 1.516 -8.408 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.477 2.173 -4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.779 3.930 -8.588 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.061 4.587 -5.047 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.715 5.472 -6.910 1.00 0.00 H new ATOM 357 N THR A 26 -5.625 -2.292 -8.631 1.00 0.00 N ATOM 358 CA THR A 26 -5.597 -3.729 -8.871 1.00 0.00 C ATOM 359 C THR A 26 -4.380 -4.373 -8.216 1.00 0.00 C ATOM 360 O THR A 26 -4.354 -5.582 -7.989 1.00 0.00 O ATOM 361 CB THR A 26 -5.584 -4.047 -10.378 1.00 0.00 C ATOM 362 OG1 THR A 26 -5.423 -5.456 -10.580 1.00 0.00 O ATOM 363 CG2 THR A 26 -4.462 -3.297 -11.079 1.00 0.00 C ATOM 0 H THR A 26 -5.471 -1.723 -9.463 1.00 0.00 H new ATOM 0 HA THR A 26 -6.504 -4.141 -8.428 1.00 0.00 H new ATOM 0 HB THR A 26 -6.535 -3.726 -10.803 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.417 -5.650 -11.541 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.473 -3.537 -12.142 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.604 -2.224 -10.948 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.504 -3.591 -10.650 1.00 0.00 H new ATOM 371 N GLN A 27 -3.375 -3.557 -7.915 1.00 0.00 N ATOM 372 CA GLN A 27 -2.155 -4.048 -7.286 1.00 0.00 C ATOM 373 C GLN A 27 -1.861 -3.285 -5.999 1.00 0.00 C ATOM 374 O GLN A 27 -2.371 -2.185 -5.787 1.00 0.00 O ATOM 375 CB GLN A 27 -0.973 -3.922 -8.250 1.00 0.00 C ATOM 376 CG GLN A 27 -1.125 -4.756 -9.512 1.00 0.00 C ATOM 377 CD GLN A 27 0.034 -4.577 -10.472 1.00 0.00 C ATOM 378 OE1 GLN A 27 1.182 -4.423 -10.056 1.00 0.00 O ATOM 379 NE2 GLN A 27 -0.262 -4.597 -11.767 1.00 0.00 N ATOM 0 H GLN A 27 -3.382 -2.553 -8.097 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.302 -5.099 -7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.852 -2.875 -8.529 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.061 -4.222 -7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.207 -5.808 -9.240 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.053 -4.483 -10.014 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.228 -4.727 -12.067 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.477 -4.482 -12.461 1.00 0.00 H new ATOM 388 N SER A 28 -1.035 -3.877 -5.142 1.00 0.00 N ATOM 389 CA SER A 28 -0.676 -3.255 -3.873 1.00 0.00 C ATOM 390 C SER A 28 0.424 -2.216 -4.069 1.00 0.00 C ATOM 391 O SER A 28 0.350 -1.109 -3.539 1.00 0.00 O ATOM 392 CB SER A 28 -0.217 -4.317 -2.872 1.00 0.00 C ATOM 393 OG SER A 28 1.169 -4.577 -3.004 1.00 0.00 O ATOM 0 H SER A 28 -0.602 -4.786 -5.303 1.00 0.00 H new ATOM 0 HA SER A 28 -1.560 -2.753 -3.480 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.432 -3.982 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.779 -5.237 -3.030 1.00 0.00 H new ATOM 0 HG SER A 28 1.438 -5.258 -2.352 1.00 0.00 H new ATOM 399 N GLY A 29 1.446 -2.583 -4.837 1.00 0.00 N ATOM 400 CA GLY A 29 2.548 -1.673 -5.091 1.00 0.00 C ATOM 401 C GLY A 29 2.087 -0.353 -5.675 1.00 0.00 C ATOM 402 O GLY A 29 2.434 0.715 -5.168 1.00 0.00 O ATOM 0 H GLY A 29 1.530 -3.494 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.084 -1.487 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.253 -2.143 -5.776 1.00 0.00 H new ATOM 406 N THR A 30 1.302 -0.423 -6.746 1.00 0.00 N ATOM 407 CA THR A 30 0.795 0.775 -7.402 1.00 0.00 C ATOM 408 C THR A 30 0.131 1.712 -6.399 1.00 0.00 C ATOM 409 O THR A 30 0.367 2.919 -6.413 1.00 0.00 O ATOM 410 CB THR A 30 -0.217 0.424 -8.509 1.00 0.00 C ATOM 411 OG1 THR A 30 0.408 -0.394 -9.503 1.00 0.00 O ATOM 412 CG2 THR A 30 -0.770 1.685 -9.156 1.00 0.00 C ATOM 0 H THR A 30 1.004 -1.298 -7.177 1.00 0.00 H new ATOM 0 HA THR A 30 1.652 1.277 -7.851 1.00 0.00 H new ATOM 0 HB THR A 30 -1.043 -0.124 -8.055 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.243 -0.614 -10.202 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.482 1.412 -9.935 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.271 2.291 -8.402 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.047 2.257 -9.596 1.00 0.00 H new ATOM 420 N MET A 31 -0.701 1.146 -5.530 1.00 0.00 N ATOM 421 CA MET A 31 -1.398 1.932 -4.518 1.00 0.00 C ATOM 422 C MET A 31 -0.406 2.657 -3.614 1.00 0.00 C ATOM 423 O MET A 31 -0.377 3.887 -3.567 1.00 0.00 O ATOM 424 CB MET A 31 -2.307 1.031 -3.680 1.00 0.00 C ATOM 425 CG MET A 31 -3.306 1.799 -2.829 1.00 0.00 C ATOM 426 SD MET A 31 -4.168 0.744 -1.648 1.00 0.00 S ATOM 427 CE MET A 31 -2.785 0.006 -0.782 1.00 0.00 C ATOM 0 H MET A 31 -0.909 0.148 -5.506 1.00 0.00 H new ATOM 0 HA MET A 31 -2.008 2.677 -5.028 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.849 0.358 -4.344 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.690 0.410 -3.030 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.786 2.591 -2.290 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.036 2.282 -3.479 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.126 -0.395 0.173 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.366 -0.800 -1.385 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.020 0.763 -0.606 1.00 0.00 H new ATOM 437 N LYS A 32 0.405 1.887 -2.896 1.00 0.00 N ATOM 438 CA LYS A 32 1.399 2.455 -1.994 1.00 0.00 C ATOM 439 C LYS A 32 2.165 3.588 -2.670 1.00 0.00 C ATOM 440 O LYS A 32 2.326 4.667 -2.101 1.00 0.00 O ATOM 441 CB LYS A 32 2.376 1.372 -1.531 1.00 0.00 C ATOM 442 CG LYS A 32 1.704 0.215 -0.810 1.00 0.00 C ATOM 443 CD LYS A 32 2.725 -0.743 -0.220 1.00 0.00 C ATOM 444 CE LYS A 32 2.058 -1.975 0.370 1.00 0.00 C ATOM 445 NZ LYS A 32 1.906 -3.060 -0.638 1.00 0.00 N ATOM 0 H LYS A 32 0.393 0.867 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 32 0.876 2.860 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.915 0.986 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.116 1.821 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.065 0.602 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.059 -0.322 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.431 -1.046 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.299 -0.233 0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.648 -2.340 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.078 -1.704 0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.343 -3.835 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.424 -2.686 -1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.845 -3.418 -0.907 1.00 0.00 H new ATOM 459 N MET A 33 2.631 3.336 -3.889 1.00 0.00 N ATOM 460 CA MET A 33 3.377 4.336 -4.644 1.00 0.00 C ATOM 461 C MET A 33 2.518 5.569 -4.908 1.00 0.00 C ATOM 462 O MET A 33 3.019 6.694 -4.928 1.00 0.00 O ATOM 463 CB MET A 33 3.866 3.747 -5.968 1.00 0.00 C ATOM 464 CG MET A 33 4.945 2.689 -5.801 1.00 0.00 C ATOM 465 SD MET A 33 6.610 3.379 -5.869 1.00 0.00 S ATOM 466 CE MET A 33 7.085 2.951 -7.543 1.00 0.00 C ATOM 0 H MET A 33 2.505 2.448 -4.375 1.00 0.00 H new ATOM 0 HA MET A 33 4.239 4.636 -4.049 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.019 3.310 -6.497 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.252 4.552 -6.594 1.00 0.00 H new ATOM 0 HG2 MET A 33 4.805 2.180 -4.847 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.835 1.937 -6.582 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.095 3.311 -7.738 1.00 0.00 H new ATOM 0 HE2 MET A 33 7.057 1.868 -7.664 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.393 3.413 -8.247 1.00 0.00 H new ATOM 476 N HIS A 34 1.223 5.349 -5.112 1.00 0.00 N ATOM 477 CA HIS A 34 0.295 6.443 -5.375 1.00 0.00 C ATOM 478 C HIS A 34 0.109 7.309 -4.133 1.00 0.00 C ATOM 479 O HIS A 34 -0.024 8.530 -4.230 1.00 0.00 O ATOM 480 CB HIS A 34 -1.056 5.894 -5.835 1.00 0.00 C ATOM 481 CG HIS A 34 -2.167 6.896 -5.760 1.00 0.00 C ATOM 482 ND1 HIS A 34 -2.478 7.753 -6.794 1.00 0.00 N ATOM 483 CD2 HIS A 34 -3.044 7.173 -4.767 1.00 0.00 C ATOM 484 CE1 HIS A 34 -3.497 8.516 -6.440 1.00 0.00 C ATOM 485 NE2 HIS A 34 -3.859 8.184 -5.214 1.00 0.00 N ATOM 0 H HIS A 34 0.793 4.424 -5.100 1.00 0.00 H new ATOM 0 HA HIS A 34 0.717 7.061 -6.167 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.965 5.541 -6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.315 5.030 -5.223 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.997 7.792 -7.692 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.094 6.689 -3.803 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.956 9.281 -7.049 1.00 0.00 H new ATOM 493 N ILE A 35 0.100 6.670 -2.968 1.00 0.00 N ATOM 494 CA ILE A 35 -0.069 7.383 -1.708 1.00 0.00 C ATOM 495 C ILE A 35 1.193 8.156 -1.340 1.00 0.00 C ATOM 496 O ILE A 35 1.126 9.211 -0.708 1.00 0.00 O ATOM 497 CB ILE A 35 -0.420 6.419 -0.559 1.00 0.00 C ATOM 498 CG1 ILE A 35 -1.640 5.574 -0.929 1.00 0.00 C ATOM 499 CG2 ILE A 35 -0.676 7.196 0.724 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.023 4.568 0.134 1.00 0.00 C ATOM 0 H ILE A 35 0.208 5.660 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.893 8.083 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 35 0.425 5.750 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.487 6.235 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.437 5.046 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.923 6.501 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.218 7.759 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.507 7.885 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.896 4.005 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.192 3.883 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.258 5.090 1.062 1.00 0.00 H new ATOM 512 N LEU A 36 2.343 7.626 -1.742 1.00 0.00 N ATOM 513 CA LEU A 36 3.622 8.267 -1.456 1.00 0.00 C ATOM 514 C LEU A 36 4.043 9.178 -2.605 1.00 0.00 C ATOM 515 O LEU A 36 4.986 9.958 -2.477 1.00 0.00 O ATOM 516 CB LEU A 36 4.700 7.211 -1.206 1.00 0.00 C ATOM 517 CG LEU A 36 5.343 6.601 -2.452 1.00 0.00 C ATOM 518 CD1 LEU A 36 6.597 7.370 -2.837 1.00 0.00 C ATOM 519 CD2 LEU A 36 5.666 5.132 -2.220 1.00 0.00 C ATOM 0 H LEU A 36 2.416 6.754 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 36 3.503 8.875 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.486 7.660 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.262 6.406 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 36 4.632 6.671 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.041 6.921 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.338 8.408 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.313 7.333 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.123 4.714 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.358 5.039 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.748 4.589 -1.994 1.00 0.00 H new ATOM 531 N GLN A 37 3.336 9.074 -3.726 1.00 0.00 N ATOM 532 CA GLN A 37 3.636 9.890 -4.896 1.00 0.00 C ATOM 533 C GLN A 37 2.678 11.072 -4.996 1.00 0.00 C ATOM 534 O GLN A 37 3.082 12.186 -5.328 1.00 0.00 O ATOM 535 CB GLN A 37 3.555 9.043 -6.168 1.00 0.00 C ATOM 536 CG GLN A 37 4.718 8.078 -6.332 1.00 0.00 C ATOM 537 CD GLN A 37 5.883 8.691 -7.084 1.00 0.00 C ATOM 538 OE1 GLN A 37 5.737 9.715 -7.752 1.00 0.00 O ATOM 539 NE2 GLN A 37 7.050 8.066 -6.980 1.00 0.00 N ATOM 0 H GLN A 37 2.552 8.433 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 37 4.650 10.276 -4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.623 8.478 -6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.518 9.705 -7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.056 7.752 -5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.376 7.189 -6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.127 7.220 -6.416 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.870 8.432 -7.464 1.00 0.00 H new ATOM 548 N LYS A 38 1.405 10.821 -4.708 1.00 0.00 N ATOM 549 CA LYS A 38 0.388 11.864 -4.764 1.00 0.00 C ATOM 550 C LYS A 38 0.156 12.474 -3.385 1.00 0.00 C ATOM 551 O LYS A 38 -0.134 13.664 -3.262 1.00 0.00 O ATOM 552 CB LYS A 38 -0.925 11.297 -5.309 1.00 0.00 C ATOM 553 CG LYS A 38 -0.792 10.676 -6.689 1.00 0.00 C ATOM 554 CD LYS A 38 -0.511 11.728 -7.749 1.00 0.00 C ATOM 555 CE LYS A 38 0.297 11.154 -8.902 1.00 0.00 C ATOM 556 NZ LYS A 38 0.168 11.980 -10.135 1.00 0.00 N ATOM 0 H LYS A 38 1.053 9.904 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 38 0.745 12.647 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.302 10.545 -4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.667 12.094 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.013 9.941 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.709 10.142 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.453 12.127 -8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.032 12.561 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.347 11.092 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.037 10.137 -9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.733 11.556 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.830 12.019 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.511 12.943 -9.945 1.00 0.00 H new ATOM 570 N HIS A 39 0.288 11.650 -2.349 1.00 0.00 N ATOM 571 CA HIS A 39 0.096 12.109 -0.978 1.00 0.00 C ATOM 572 C HIS A 39 1.379 11.953 -0.168 1.00 0.00 C ATOM 573 O HIS A 39 1.360 11.443 0.953 1.00 0.00 O ATOM 574 CB HIS A 39 -1.040 11.332 -0.312 1.00 0.00 C ATOM 575 CG HIS A 39 -2.277 11.243 -1.151 1.00 0.00 C ATOM 576 ND1 HIS A 39 -3.040 12.341 -1.486 1.00 0.00 N ATOM 577 CD2 HIS A 39 -2.883 10.177 -1.726 1.00 0.00 C ATOM 578 CE1 HIS A 39 -4.062 11.955 -2.228 1.00 0.00 C ATOM 579 NE2 HIS A 39 -3.990 10.646 -2.389 1.00 0.00 N ATOM 0 H HIS A 39 0.527 10.662 -2.433 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.167 13.166 -1.008 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.694 10.324 -0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.288 11.808 0.637 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -2.846 13.302 -1.205 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.556 9.149 -1.673 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.827 12.600 -2.634 1.00 0.00 H new ATOM 587 N THR A 40 2.493 12.396 -0.742 1.00 0.00 N ATOM 588 CA THR A 40 3.786 12.304 -0.074 1.00 0.00 C ATOM 589 C THR A 40 3.809 13.145 1.197 1.00 0.00 C ATOM 590 O THR A 40 4.351 12.726 2.219 1.00 0.00 O ATOM 591 CB THR A 40 4.930 12.760 -0.999 1.00 0.00 C ATOM 592 OG1 THR A 40 6.147 12.873 -0.253 1.00 0.00 O ATOM 593 CG2 THR A 40 4.601 14.096 -1.648 1.00 0.00 C ATOM 0 H THR A 40 2.526 12.822 -1.668 1.00 0.00 H new ATOM 0 HA THR A 40 3.934 11.256 0.185 1.00 0.00 H new ATOM 0 HB THR A 40 5.053 12.014 -1.784 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.967 12.703 0.695 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.423 14.398 -2.297 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.690 13.999 -2.238 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.454 14.850 -0.875 1.00 0.00 H new ATOM 601 N GLU A 41 3.216 14.333 1.126 1.00 0.00 N ATOM 602 CA GLU A 41 3.170 15.232 2.273 1.00 0.00 C ATOM 603 C GLU A 41 1.912 14.992 3.103 1.00 0.00 C ATOM 604 O GLU A 41 1.895 15.237 4.308 1.00 0.00 O ATOM 605 CB GLU A 41 3.217 16.689 1.809 1.00 0.00 C ATOM 606 CG GLU A 41 2.017 17.100 0.972 1.00 0.00 C ATOM 607 CD GLU A 41 2.036 18.573 0.610 1.00 0.00 C ATOM 608 OE1 GLU A 41 2.824 18.954 -0.280 1.00 0.00 O ATOM 609 OE2 GLU A 41 1.262 19.343 1.216 1.00 0.00 O ATOM 0 H GLU A 41 2.762 14.695 0.287 1.00 0.00 H new ATOM 0 HA GLU A 41 4.040 15.028 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.279 17.338 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.126 16.848 1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.995 16.505 0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.102 16.876 1.521 1.00 0.00 H new ATOM 616 N ASN A 42 0.861 14.510 2.447 1.00 0.00 N ATOM 617 CA ASN A 42 -0.402 14.237 3.123 1.00 0.00 C ATOM 618 C ASN A 42 -0.347 12.902 3.860 1.00 0.00 C ATOM 619 O ASN A 42 -1.298 12.121 3.823 1.00 0.00 O ATOM 620 CB ASN A 42 -1.553 14.229 2.115 1.00 0.00 C ATOM 621 CG ASN A 42 -1.987 15.628 1.722 1.00 0.00 C ATOM 622 OD1 ASN A 42 -1.688 16.600 2.415 1.00 0.00 O ATOM 623 ND2 ASN A 42 -2.696 15.735 0.605 1.00 0.00 N ATOM 0 H ASN A 42 0.859 14.301 1.449 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.573 15.028 3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.247 13.682 1.223 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.402 13.694 2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.016 16.651 0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.921 14.901 0.062 1.00 0.00 H new ATOM 630 N VAL A 43 0.772 12.648 4.530 1.00 0.00 N ATOM 631 CA VAL A 43 0.951 11.408 5.277 1.00 0.00 C ATOM 632 C VAL A 43 2.082 11.537 6.292 1.00 0.00 C ATOM 633 O VAL A 43 3.081 12.210 6.040 1.00 0.00 O ATOM 634 CB VAL A 43 1.250 10.225 4.338 1.00 0.00 C ATOM 635 CG1 VAL A 43 2.458 10.528 3.465 1.00 0.00 C ATOM 636 CG2 VAL A 43 1.469 8.951 5.140 1.00 0.00 C ATOM 0 H VAL A 43 1.568 13.284 4.571 1.00 0.00 H new ATOM 0 HA VAL A 43 0.015 11.217 5.802 1.00 0.00 H new ATOM 0 HB VAL A 43 0.389 10.074 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.654 9.681 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.259 11.415 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.328 10.706 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.679 8.125 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.312 9.088 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.573 8.726 5.718 1.00 0.00 H new ATOM 646 N ALA A 44 1.918 10.886 7.439 1.00 0.00 N ATOM 647 CA ALA A 44 2.926 10.925 8.490 1.00 0.00 C ATOM 648 C ALA A 44 3.999 9.865 8.262 1.00 0.00 C ATOM 649 O ALA A 44 5.139 10.184 7.923 1.00 0.00 O ATOM 650 CB ALA A 44 2.275 10.735 9.853 1.00 0.00 C ATOM 0 H ALA A 44 1.096 10.325 7.663 1.00 0.00 H new ATOM 0 HA ALA A 44 3.407 11.903 8.462 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.040 10.766 10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.551 11.532 10.025 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.767 9.771 9.883 1.00 0.00 H new ATOM 656 N LYS A 45 3.627 8.604 8.451 1.00 0.00 N ATOM 657 CA LYS A 45 4.557 7.496 8.265 1.00 0.00 C ATOM 658 C LYS A 45 4.564 7.029 6.813 1.00 0.00 C ATOM 659 O LYS A 45 3.522 6.990 6.158 1.00 0.00 O ATOM 660 CB LYS A 45 4.185 6.331 9.185 1.00 0.00 C ATOM 661 CG LYS A 45 4.692 6.493 10.607 1.00 0.00 C ATOM 662 CD LYS A 45 4.626 5.184 11.375 1.00 0.00 C ATOM 663 CE LYS A 45 5.732 5.091 12.415 1.00 0.00 C ATOM 664 NZ LYS A 45 6.040 3.679 12.774 1.00 0.00 N ATOM 0 H LYS A 45 2.688 8.323 8.733 1.00 0.00 H new ATOM 0 HA LYS A 45 5.557 7.847 8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.100 6.227 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.586 5.407 8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.720 6.854 10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.098 7.248 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.656 5.097 11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.708 4.349 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.632 5.573 12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.435 5.637 13.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.174 3.604 13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.252 3.067 12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.910 3.379 12.289 1.00 0.00 H new ATOM 678 N PHE A 46 5.744 6.674 6.316 1.00 0.00 N ATOM 679 CA PHE A 46 5.885 6.208 4.941 1.00 0.00 C ATOM 680 C PHE A 46 6.082 4.696 4.896 1.00 0.00 C ATOM 681 O PHE A 46 6.723 4.116 5.774 1.00 0.00 O ATOM 682 CB PHE A 46 7.065 6.908 4.262 1.00 0.00 C ATOM 683 CG PHE A 46 6.842 8.376 4.037 1.00 0.00 C ATOM 684 CD1 PHE A 46 6.685 9.239 5.109 1.00 0.00 C ATOM 685 CD2 PHE A 46 6.790 8.893 2.752 1.00 0.00 C ATOM 686 CE1 PHE A 46 6.479 10.590 4.904 1.00 0.00 C ATOM 687 CE2 PHE A 46 6.585 10.243 2.541 1.00 0.00 C ATOM 688 CZ PHE A 46 6.430 11.093 3.618 1.00 0.00 C ATOM 0 H PHE A 46 6.616 6.700 6.844 1.00 0.00 H new ATOM 0 HA PHE A 46 4.968 6.453 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.957 6.774 4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.260 6.427 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.724 8.852 6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.911 8.233 1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.356 11.252 5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.546 10.633 1.535 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.271 12.149 3.456 1.00 0.00 H new ATOM 698 N HIS A 47 5.527 4.063 3.868 1.00 0.00 N ATOM 699 CA HIS A 47 5.640 2.618 3.708 1.00 0.00 C ATOM 700 C HIS A 47 6.279 2.268 2.367 1.00 0.00 C ATOM 701 O HIS A 47 5.699 2.511 1.309 1.00 0.00 O ATOM 702 CB HIS A 47 4.264 1.961 3.816 1.00 0.00 C ATOM 703 CG HIS A 47 3.644 2.091 5.174 1.00 0.00 C ATOM 704 ND1 HIS A 47 3.026 1.042 5.822 1.00 0.00 N ATOM 705 CD2 HIS A 47 3.551 3.154 6.007 1.00 0.00 C ATOM 706 CE1 HIS A 47 2.578 1.455 6.994 1.00 0.00 C ATOM 707 NE2 HIS A 47 2.884 2.733 7.131 1.00 0.00 N ATOM 0 H HIS A 47 4.994 4.528 3.133 1.00 0.00 H new ATOM 0 HA HIS A 47 6.279 2.239 4.506 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.598 2.407 3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.354 0.904 3.566 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.931 4.148 5.822 1.00 0.00 H new ATOM 0 HE1 HIS A 47 2.051 0.851 7.717 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.661 3.313 7.940 1.00 0.00 H new ATOM 715 N CYS A 48 7.478 1.698 2.419 1.00 0.00 N ATOM 716 CA CYS A 48 8.197 1.316 1.210 1.00 0.00 C ATOM 717 C CYS A 48 7.255 0.673 0.197 1.00 0.00 C ATOM 718 O CYS A 48 6.423 -0.170 0.534 1.00 0.00 O ATOM 719 CB CYS A 48 9.334 0.350 1.551 1.00 0.00 C ATOM 720 SG CYS A 48 10.365 -0.118 0.124 1.00 0.00 S ATOM 0 H CYS A 48 7.973 1.490 3.287 1.00 0.00 H new ATOM 0 HA CYS A 48 8.617 2.219 0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.969 0.807 2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.910 -0.553 1.991 1.00 0.00 H new ATOM 725 N PRO A 49 7.387 1.078 -1.075 1.00 0.00 N ATOM 726 CA PRO A 49 6.557 0.554 -2.163 1.00 0.00 C ATOM 727 C PRO A 49 6.880 -0.900 -2.491 1.00 0.00 C ATOM 728 O PRO A 49 6.094 -1.590 -3.140 1.00 0.00 O ATOM 729 CB PRO A 49 6.909 1.460 -3.346 1.00 0.00 C ATOM 730 CG PRO A 49 8.280 1.959 -3.045 1.00 0.00 C ATOM 731 CD PRO A 49 8.358 2.080 -1.548 1.00 0.00 C ATOM 0 HA PRO A 49 5.498 0.558 -1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.885 0.910 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.200 2.282 -3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.037 1.271 -3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.459 2.922 -3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.362 1.872 -1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.097 3.083 -1.212 1.00 0.00 H new ATOM 739 N HIS A 50 8.041 -1.359 -2.036 1.00 0.00 N ATOM 740 CA HIS A 50 8.468 -2.733 -2.280 1.00 0.00 C ATOM 741 C HIS A 50 8.249 -3.598 -1.042 1.00 0.00 C ATOM 742 O HIS A 50 7.456 -4.539 -1.062 1.00 0.00 O ATOM 743 CB HIS A 50 9.941 -2.767 -2.687 1.00 0.00 C ATOM 744 CG HIS A 50 10.311 -1.715 -3.687 1.00 0.00 C ATOM 745 ND1 HIS A 50 9.689 -1.588 -4.911 1.00 0.00 N ATOM 746 CD2 HIS A 50 11.245 -0.737 -3.638 1.00 0.00 C ATOM 747 CE1 HIS A 50 10.225 -0.578 -5.572 1.00 0.00 C ATOM 748 NE2 HIS A 50 11.172 -0.044 -4.821 1.00 0.00 N ATOM 0 H HIS A 50 8.703 -0.801 -1.497 1.00 0.00 H new ATOM 0 HA HIS A 50 7.865 -3.136 -3.094 1.00 0.00 H new ATOM 0 HB2 HIS A 50 10.558 -2.644 -1.797 1.00 0.00 H new ATOM 0 HB3 HIS A 50 10.172 -3.748 -3.102 1.00 0.00 H new ATOM 0 HD1 HIS A 50 8.933 -2.181 -5.253 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.922 -0.538 -2.820 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.938 -0.245 -6.559 1.00 0.00 H new ATOM 756 N CYS A 51 8.958 -3.272 0.033 1.00 0.00 N ATOM 757 CA CYS A 51 8.843 -4.019 1.280 1.00 0.00 C ATOM 758 C CYS A 51 7.974 -3.269 2.285 1.00 0.00 C ATOM 759 O CYS A 51 7.388 -2.235 1.965 1.00 0.00 O ATOM 760 CB CYS A 51 10.229 -4.272 1.877 1.00 0.00 C ATOM 761 SG CYS A 51 11.096 -2.761 2.410 1.00 0.00 S ATOM 0 H CYS A 51 9.618 -2.495 0.066 1.00 0.00 H new ATOM 0 HA CYS A 51 8.369 -4.976 1.059 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.128 -4.941 2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.842 -4.789 1.139 1.00 0.00 H new ATOM 766 N ASP A 52 7.895 -3.799 3.501 1.00 0.00 N ATOM 767 CA ASP A 52 7.098 -3.180 4.554 1.00 0.00 C ATOM 768 C ASP A 52 7.911 -2.129 5.304 1.00 0.00 C ATOM 769 O ASP A 52 7.355 -1.266 5.984 1.00 0.00 O ATOM 770 CB ASP A 52 6.590 -4.242 5.530 1.00 0.00 C ATOM 771 CG ASP A 52 7.692 -4.785 6.419 1.00 0.00 C ATOM 772 OD1 ASP A 52 8.009 -4.134 7.437 1.00 0.00 O ATOM 773 OD2 ASP A 52 8.236 -5.862 6.098 1.00 0.00 O ATOM 0 H ASP A 52 8.373 -4.655 3.782 1.00 0.00 H new ATOM 0 HA ASP A 52 6.244 -2.688 4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.804 -3.814 6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.142 -5.062 4.969 1.00 0.00 H new ATOM 778 N THR A 53 9.232 -2.209 5.177 1.00 0.00 N ATOM 779 CA THR A 53 10.122 -1.267 5.844 1.00 0.00 C ATOM 780 C THR A 53 9.478 0.110 5.960 1.00 0.00 C ATOM 781 O THR A 53 9.100 0.716 4.958 1.00 0.00 O ATOM 782 CB THR A 53 11.462 -1.133 5.095 1.00 0.00 C ATOM 783 OG1 THR A 53 12.113 -2.406 5.026 1.00 0.00 O ATOM 784 CG2 THR A 53 12.371 -0.130 5.788 1.00 0.00 C ATOM 0 H THR A 53 9.709 -2.917 4.618 1.00 0.00 H new ATOM 0 HA THR A 53 10.310 -1.663 6.842 1.00 0.00 H new ATOM 0 HB THR A 53 11.255 -0.775 4.086 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.725 -2.932 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.311 -0.052 5.241 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.884 0.845 5.814 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.570 -0.463 6.807 1.00 0.00 H new ATOM 792 N VAL A 54 9.357 0.600 7.190 1.00 0.00 N ATOM 793 CA VAL A 54 8.760 1.907 7.437 1.00 0.00 C ATOM 794 C VAL A 54 9.793 3.019 7.290 1.00 0.00 C ATOM 795 O VAL A 54 10.922 2.898 7.766 1.00 0.00 O ATOM 796 CB VAL A 54 8.137 1.983 8.843 1.00 0.00 C ATOM 797 CG1 VAL A 54 7.682 3.401 9.150 1.00 0.00 C ATOM 798 CG2 VAL A 54 6.978 1.004 8.965 1.00 0.00 C ATOM 0 H VAL A 54 9.665 0.111 8.031 1.00 0.00 H new ATOM 0 HA VAL A 54 7.975 2.043 6.693 1.00 0.00 H new ATOM 0 HB VAL A 54 8.897 1.705 9.574 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.244 3.435 10.148 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.537 4.075 9.106 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.938 3.711 8.417 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.549 1.071 9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.215 1.249 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.338 -0.010 8.792 1.00 0.00 H new ATOM 808 N ILE A 55 9.398 4.102 6.630 1.00 0.00 N ATOM 809 CA ILE A 55 10.289 5.237 6.422 1.00 0.00 C ATOM 810 C ILE A 55 9.725 6.503 7.058 1.00 0.00 C ATOM 811 O ILE A 55 8.526 6.769 6.976 1.00 0.00 O ATOM 812 CB ILE A 55 10.533 5.494 4.923 1.00 0.00 C ATOM 813 CG1 ILE A 55 10.978 4.206 4.228 1.00 0.00 C ATOM 814 CG2 ILE A 55 11.572 6.589 4.736 1.00 0.00 C ATOM 815 CD1 ILE A 55 12.374 3.765 4.608 1.00 0.00 C ATOM 0 H ILE A 55 8.467 4.218 6.230 1.00 0.00 H new ATOM 0 HA ILE A 55 11.237 4.985 6.898 1.00 0.00 H new ATOM 0 HB ILE A 55 9.599 5.825 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.275 3.410 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.933 4.351 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.734 6.759 3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.219 7.509 5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.509 6.284 5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.622 2.846 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.088 4.544 4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.420 3.587 5.682 1.00 0.00 H new ATOM 827 N ALA A 56 10.598 7.280 7.691 1.00 0.00 N ATOM 828 CA ALA A 56 10.187 8.520 8.338 1.00 0.00 C ATOM 829 C ALA A 56 9.979 9.630 7.314 1.00 0.00 C ATOM 830 O ALA A 56 8.845 9.973 6.978 1.00 0.00 O ATOM 831 CB ALA A 56 11.219 8.941 9.374 1.00 0.00 C ATOM 0 H ALA A 56 11.594 7.073 7.769 1.00 0.00 H new ATOM 0 HA ALA A 56 9.236 8.342 8.840 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.900 9.868 9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.316 8.161 10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.182 9.096 8.887 1.00 0.00 H new ATOM 837 N ARG A 57 11.079 10.190 6.822 1.00 0.00 N ATOM 838 CA ARG A 57 11.016 11.263 5.837 1.00 0.00 C ATOM 839 C ARG A 57 11.215 10.719 4.426 1.00 0.00 C ATOM 840 O ARG A 57 11.898 9.714 4.227 1.00 0.00 O ATOM 841 CB ARG A 57 12.076 12.324 6.140 1.00 0.00 C ATOM 842 CG ARG A 57 13.501 11.839 5.932 1.00 0.00 C ATOM 843 CD ARG A 57 14.505 12.745 6.627 1.00 0.00 C ATOM 844 NE ARG A 57 14.783 12.309 7.993 1.00 0.00 N ATOM 845 CZ ARG A 57 15.219 13.121 8.949 1.00 0.00 C ATOM 846 NH1 ARG A 57 15.426 14.405 8.690 1.00 0.00 N ATOM 847 NH2 ARG A 57 15.449 12.650 10.168 1.00 0.00 N ATOM 0 H ARG A 57 12.025 9.918 7.090 1.00 0.00 H new ATOM 0 HA ARG A 57 10.027 11.718 5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.901 13.192 5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 57 11.961 12.656 7.172 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.600 10.823 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 57 13.721 11.801 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.433 12.762 6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.122 13.765 6.643 1.00 0.00 H new ATOM 0 HE ARG A 57 14.634 11.327 8.225 1.00 0.00 H new ATOM 0 HH11 ARG A 57 15.250 14.771 7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 57 15.761 15.026 9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.291 11.663 10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 57 15.784 13.275 10.901 1.00 0.00 H new ATOM 861 N LYS A 58 10.614 11.389 3.449 1.00 0.00 N ATOM 862 CA LYS A 58 10.724 10.974 2.055 1.00 0.00 C ATOM 863 C LYS A 58 12.185 10.917 1.619 1.00 0.00 C ATOM 864 O LYS A 58 12.665 9.880 1.162 1.00 0.00 O ATOM 865 CB LYS A 58 9.948 11.936 1.152 1.00 0.00 C ATOM 866 CG LYS A 58 10.041 11.592 -0.324 1.00 0.00 C ATOM 867 CD LYS A 58 8.925 10.653 -0.749 1.00 0.00 C ATOM 868 CE LYS A 58 8.566 10.840 -2.215 1.00 0.00 C ATOM 869 NZ LYS A 58 7.604 11.959 -2.412 1.00 0.00 N ATOM 0 H LYS A 58 10.045 12.223 3.597 1.00 0.00 H new ATOM 0 HA LYS A 58 10.296 9.976 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.900 11.936 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.324 12.948 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.993 12.506 -0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.006 11.129 -0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.231 9.621 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.044 10.831 -0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.472 11.035 -2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.135 9.918 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.777 11.617 -2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.297 12.320 -1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.065 12.723 -2.946 1.00 0.00 H new ATOM 883 N SER A 59 12.885 12.037 1.764 1.00 0.00 N ATOM 884 CA SER A 59 14.291 12.114 1.383 1.00 0.00 C ATOM 885 C SER A 59 15.020 10.820 1.731 1.00 0.00 C ATOM 886 O SER A 59 15.924 10.391 1.014 1.00 0.00 O ATOM 887 CB SER A 59 14.966 13.297 2.079 1.00 0.00 C ATOM 888 OG SER A 59 16.240 13.560 1.519 1.00 0.00 O ATOM 0 H SER A 59 12.502 12.903 2.142 1.00 0.00 H new ATOM 0 HA SER A 59 14.342 12.260 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.337 14.182 1.990 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.070 13.086 3.143 1.00 0.00 H new ATOM 0 HG SER A 59 16.649 14.321 1.981 1.00 0.00 H new ATOM 894 N ASP A 60 14.621 10.204 2.838 1.00 0.00 N ATOM 895 CA ASP A 60 15.236 8.958 3.283 1.00 0.00 C ATOM 896 C ASP A 60 14.847 7.803 2.366 1.00 0.00 C ATOM 897 O ASP A 60 15.683 6.973 2.006 1.00 0.00 O ATOM 898 CB ASP A 60 14.821 8.645 4.722 1.00 0.00 C ATOM 899 CG ASP A 60 15.545 7.438 5.284 1.00 0.00 C ATOM 900 OD1 ASP A 60 15.113 6.302 4.998 1.00 0.00 O ATOM 901 OD2 ASP A 60 16.543 7.629 6.010 1.00 0.00 O ATOM 0 H ASP A 60 13.875 10.546 3.444 1.00 0.00 H new ATOM 0 HA ASP A 60 16.318 9.081 3.244 1.00 0.00 H new ATOM 0 HB2 ASP A 60 15.023 9.512 5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.746 8.469 4.757 1.00 0.00 H new ATOM 906 N LEU A 61 13.573 7.753 1.993 1.00 0.00 N ATOM 907 CA LEU A 61 13.072 6.699 1.118 1.00 0.00 C ATOM 908 C LEU A 61 14.122 6.305 0.083 1.00 0.00 C ATOM 909 O LEU A 61 14.275 5.129 -0.244 1.00 0.00 O ATOM 910 CB LEU A 61 11.793 7.156 0.415 1.00 0.00 C ATOM 911 CG LEU A 61 11.148 6.143 -0.531 1.00 0.00 C ATOM 912 CD1 LEU A 61 10.843 4.846 0.204 1.00 0.00 C ATOM 913 CD2 LEU A 61 9.881 6.719 -1.146 1.00 0.00 C ATOM 0 H LEU A 61 12.868 8.430 2.283 1.00 0.00 H new ATOM 0 HA LEU A 61 12.849 5.827 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.062 7.429 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.017 8.060 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 61 11.852 5.926 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.384 4.137 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.768 4.424 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.158 5.047 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.435 5.984 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.172 6.966 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.126 7.621 -1.707 1.00 0.00 H new ATOM 925 N GLY A 62 14.844 7.298 -0.427 1.00 0.00 N ATOM 926 CA GLY A 62 15.872 7.036 -1.418 1.00 0.00 C ATOM 927 C GLY A 62 17.004 6.190 -0.868 1.00 0.00 C ATOM 928 O GLY A 62 17.281 5.104 -1.378 1.00 0.00 O ATOM 0 H GLY A 62 14.736 8.280 -0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.427 6.529 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.273 7.983 -1.781 1.00 0.00 H new ATOM 932 N VAL A 63 17.661 6.689 0.174 1.00 0.00 N ATOM 933 CA VAL A 63 18.770 5.973 0.792 1.00 0.00 C ATOM 934 C VAL A 63 18.423 4.504 1.008 1.00 0.00 C ATOM 935 O VAL A 63 19.264 3.623 0.823 1.00 0.00 O ATOM 936 CB VAL A 63 19.160 6.601 2.144 1.00 0.00 C ATOM 937 CG1 VAL A 63 20.298 5.822 2.786 1.00 0.00 C ATOM 938 CG2 VAL A 63 19.539 8.063 1.962 1.00 0.00 C ATOM 0 H VAL A 63 17.444 7.586 0.608 1.00 0.00 H new ATOM 0 HA VAL A 63 19.615 6.047 0.108 1.00 0.00 H new ATOM 0 HB VAL A 63 18.298 6.553 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 63 20.560 6.280 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.985 4.791 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 63 21.166 5.836 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 63 19.812 8.491 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 63 20.386 8.137 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.691 8.610 1.549 1.00 0.00 H new ATOM 948 N HIS A 64 17.180 4.247 1.401 1.00 0.00 N ATOM 949 CA HIS A 64 16.721 2.883 1.641 1.00 0.00 C ATOM 950 C HIS A 64 16.537 2.132 0.326 1.00 0.00 C ATOM 951 O HIS A 64 16.744 0.920 0.257 1.00 0.00 O ATOM 952 CB HIS A 64 15.406 2.895 2.422 1.00 0.00 C ATOM 953 CG HIS A 64 14.683 1.584 2.398 1.00 0.00 C ATOM 954 ND1 HIS A 64 15.143 0.458 3.047 1.00 0.00 N ATOM 955 CD2 HIS A 64 13.524 1.223 1.798 1.00 0.00 C ATOM 956 CE1 HIS A 64 14.300 -0.539 2.847 1.00 0.00 C ATOM 957 NE2 HIS A 64 13.309 -0.100 2.092 1.00 0.00 N ATOM 0 H HIS A 64 16.473 4.964 1.560 1.00 0.00 H new ATOM 0 HA HIS A 64 17.481 2.369 2.230 1.00 0.00 H new ATOM 0 HB2 HIS A 64 15.610 3.169 3.457 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.756 3.667 2.010 1.00 0.00 H new ATOM 0 HD1 HIS A 64 16.001 0.403 3.596 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.887 1.858 1.200 1.00 0.00 H new ATOM 0 HE1 HIS A 64 14.403 -1.542 3.235 1.00 0.00 H new ATOM 965 N LEU A 65 16.148 2.859 -0.716 1.00 0.00 N ATOM 966 CA LEU A 65 15.936 2.261 -2.030 1.00 0.00 C ATOM 967 C LEU A 65 17.265 1.902 -2.686 1.00 0.00 C ATOM 968 O LEU A 65 17.338 0.983 -3.501 1.00 0.00 O ATOM 969 CB LEU A 65 15.154 3.221 -2.928 1.00 0.00 C ATOM 970 CG LEU A 65 13.632 3.187 -2.782 1.00 0.00 C ATOM 971 CD1 LEU A 65 13.004 4.398 -3.455 1.00 0.00 C ATOM 972 CD2 LEU A 65 13.069 1.899 -3.364 1.00 0.00 C ATOM 0 H LEU A 65 15.973 3.863 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 65 15.359 1.346 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.496 4.236 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.404 3.001 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 65 13.387 3.220 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.921 4.357 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.383 5.309 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.257 4.397 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.985 1.892 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.324 1.836 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.494 1.045 -2.836 1.00 0.00 H new ATOM 984 N ARG A 66 18.315 2.633 -2.323 1.00 0.00 N ATOM 985 CA ARG A 66 19.642 2.391 -2.875 1.00 0.00 C ATOM 986 C ARG A 66 20.444 1.457 -1.974 1.00 0.00 C ATOM 987 O ARG A 66 21.254 0.661 -2.449 1.00 0.00 O ATOM 988 CB ARG A 66 20.392 3.712 -3.054 1.00 0.00 C ATOM 989 CG ARG A 66 19.632 4.737 -3.880 1.00 0.00 C ATOM 990 CD ARG A 66 20.349 6.077 -3.903 1.00 0.00 C ATOM 991 NE ARG A 66 19.841 6.952 -4.956 1.00 0.00 N ATOM 992 CZ ARG A 66 20.606 7.784 -5.654 1.00 0.00 C ATOM 993 NH1 ARG A 66 21.908 7.854 -5.411 1.00 0.00 N ATOM 994 NH2 ARG A 66 20.070 8.549 -6.596 1.00 0.00 N ATOM 0 H ARG A 66 18.272 3.397 -1.649 1.00 0.00 H new ATOM 0 HA ARG A 66 19.522 1.914 -3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.605 4.135 -2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 66 21.352 3.513 -3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.514 4.369 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.631 4.866 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.232 6.567 -2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.417 5.914 -4.051 1.00 0.00 H new ATOM 0 HE ARG A 66 18.844 6.923 -5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 66 22.324 7.268 -4.687 1.00 0.00 H new ATOM 0 HH12 ARG A 66 22.493 8.494 -5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.069 8.499 -6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 66 20.659 9.187 -7.131 1.00 0.00 H new ATOM 1008 N LYS A 67 20.213 1.560 -0.669 1.00 0.00 N ATOM 1009 CA LYS A 67 20.913 0.724 0.300 1.00 0.00 C ATOM 1010 C LYS A 67 20.348 -0.693 0.305 1.00 0.00 C ATOM 1011 O LYS A 67 20.998 -1.630 -0.156 1.00 0.00 O ATOM 1012 CB LYS A 67 20.805 1.333 1.700 1.00 0.00 C ATOM 1013 CG LYS A 67 21.639 2.588 1.884 1.00 0.00 C ATOM 1014 CD LYS A 67 23.102 2.256 2.124 1.00 0.00 C ATOM 1015 CE LYS A 67 23.987 3.482 1.960 1.00 0.00 C ATOM 1016 NZ LYS A 67 23.635 4.554 2.932 1.00 0.00 N ATOM 0 H LYS A 67 19.547 2.214 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 67 21.963 0.676 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.761 1.568 1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 67 21.115 0.590 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.549 3.219 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 67 21.253 3.162 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 67 23.224 1.850 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 67 23.419 1.481 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 67 25.030 3.197 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.891 3.866 0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.242 5.370 2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 22.928 4.194 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.488 4.847 3.450 1.00 0.00 H new ATOM 1030 N GLN A 68 19.135 -0.840 0.828 1.00 0.00 N ATOM 1031 CA GLN A 68 18.484 -2.143 0.891 1.00 0.00 C ATOM 1032 C GLN A 68 18.259 -2.707 -0.508 1.00 0.00 C ATOM 1033 O GLN A 68 18.602 -3.856 -0.788 1.00 0.00 O ATOM 1034 CB GLN A 68 17.150 -2.035 1.631 1.00 0.00 C ATOM 1035 CG GLN A 68 17.279 -2.166 3.140 1.00 0.00 C ATOM 1036 CD GLN A 68 17.529 -3.594 3.583 1.00 0.00 C ATOM 1037 OE1 GLN A 68 18.428 -4.265 3.075 1.00 0.00 O ATOM 1038 NE2 GLN A 68 16.733 -4.067 4.535 1.00 0.00 N ATOM 0 H GLN A 68 18.584 -0.074 1.214 1.00 0.00 H new ATOM 0 HA GLN A 68 19.139 -2.823 1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.690 -1.075 1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.477 -2.809 1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 68 18.096 -1.534 3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.368 -1.797 3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.001 -3.476 4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.854 -5.022 4.873 1.00 0.00 H new ATOM 1047 N HIS A 69 17.679 -1.892 -1.383 1.00 0.00 N ATOM 1048 CA HIS A 69 17.408 -2.310 -2.754 1.00 0.00 C ATOM 1049 C HIS A 69 18.479 -1.785 -3.704 1.00 0.00 C ATOM 1050 O HIS A 69 19.279 -0.923 -3.339 1.00 0.00 O ATOM 1051 CB HIS A 69 16.030 -1.817 -3.197 1.00 0.00 C ATOM 1052 CG HIS A 69 14.907 -2.347 -2.361 1.00 0.00 C ATOM 1053 ND1 HIS A 69 14.486 -3.659 -2.410 1.00 0.00 N ATOM 1054 CD2 HIS A 69 14.116 -1.734 -1.449 1.00 0.00 C ATOM 1055 CE1 HIS A 69 13.484 -3.830 -1.566 1.00 0.00 C ATOM 1056 NE2 HIS A 69 13.240 -2.677 -0.970 1.00 0.00 N ATOM 0 H HIS A 69 17.388 -0.939 -1.167 1.00 0.00 H new ATOM 0 HA HIS A 69 17.423 -3.399 -2.785 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.015 -0.728 -3.163 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.867 -2.106 -4.235 1.00 0.00 H new ATOM 0 HD1 HIS A 69 14.886 -4.385 -3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.165 -0.696 -1.153 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.955 -4.755 -1.393 1.00 0.00 H new ATOM 1064 N SER A 70 18.490 -2.310 -4.925 1.00 0.00 N ATOM 1065 CA SER A 70 19.466 -1.897 -5.927 1.00 0.00 C ATOM 1066 C SER A 70 18.945 -0.715 -6.738 1.00 0.00 C ATOM 1067 O SER A 70 18.179 -0.888 -7.687 1.00 0.00 O ATOM 1068 CB SER A 70 19.797 -3.064 -6.859 1.00 0.00 C ATOM 1069 OG SER A 70 21.103 -2.936 -7.394 1.00 0.00 O ATOM 0 H SER A 70 17.834 -3.023 -5.244 1.00 0.00 H new ATOM 0 HA SER A 70 20.373 -1.587 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.715 -4.004 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.070 -3.102 -7.671 1.00 0.00 H new ATOM 0 HG SER A 70 21.290 -3.695 -7.985 1.00 0.00 H new ATOM 1075 N TYR A 71 19.365 0.486 -6.359 1.00 0.00 N ATOM 1076 CA TYR A 71 18.940 1.698 -7.049 1.00 0.00 C ATOM 1077 C TYR A 71 20.125 2.625 -7.301 1.00 0.00 C ATOM 1078 O TYR A 71 19.964 3.841 -7.409 1.00 0.00 O ATOM 1079 CB TYR A 71 17.873 2.428 -6.231 1.00 0.00 C ATOM 1080 CG TYR A 71 16.458 2.032 -6.591 1.00 0.00 C ATOM 1081 CD1 TYR A 71 16.042 0.710 -6.502 1.00 0.00 C ATOM 1082 CD2 TYR A 71 15.539 2.981 -7.020 1.00 0.00 C ATOM 1083 CE1 TYR A 71 14.751 0.344 -6.831 1.00 0.00 C ATOM 1084 CE2 TYR A 71 14.245 2.625 -7.349 1.00 0.00 C ATOM 1085 CZ TYR A 71 13.856 1.305 -7.253 1.00 0.00 C ATOM 1086 OH TYR A 71 12.569 0.944 -7.581 1.00 0.00 O ATOM 0 H TYR A 71 20.000 0.647 -5.577 1.00 0.00 H new ATOM 0 HA TYR A 71 18.517 1.409 -8.011 1.00 0.00 H new ATOM 0 HB2 TYR A 71 18.039 2.229 -5.172 1.00 0.00 H new ATOM 0 HB3 TYR A 71 17.989 3.502 -6.375 1.00 0.00 H new ATOM 0 HD1 TYR A 71 16.739 -0.045 -6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 71 15.841 4.015 -7.098 1.00 0.00 H new ATOM 0 HE1 TYR A 71 14.444 -0.689 -6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 71 13.542 3.376 -7.679 1.00 0.00 H new ATOM 0 HH TYR A 71 12.054 0.788 -6.762 1.00 0.00 H new ATOM 1096 N SER A 72 21.315 2.041 -7.396 1.00 0.00 N ATOM 1097 CA SER A 72 22.529 2.814 -7.633 1.00 0.00 C ATOM 1098 C SER A 72 22.915 2.780 -9.109 1.00 0.00 C ATOM 1099 O SER A 72 23.226 3.811 -9.704 1.00 0.00 O ATOM 1100 CB SER A 72 23.678 2.272 -6.781 1.00 0.00 C ATOM 1101 OG SER A 72 23.640 2.811 -5.471 1.00 0.00 O ATOM 0 H SER A 72 21.465 1.035 -7.313 1.00 0.00 H new ATOM 0 HA SER A 72 22.333 3.848 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 72 23.617 1.185 -6.732 1.00 0.00 H new ATOM 0 HB3 SER A 72 24.630 2.517 -7.251 1.00 0.00 H new ATOM 0 HG SER A 72 24.384 2.448 -4.946 1.00 0.00 H new ATOM 1107 N GLY A 73 22.892 1.586 -9.693 1.00 0.00 N ATOM 1108 CA GLY A 73 23.241 1.439 -11.094 1.00 0.00 C ATOM 1109 C GLY A 73 24.003 0.157 -11.370 1.00 0.00 C ATOM 1110 O GLY A 73 24.870 -0.253 -10.598 1.00 0.00 O ATOM 0 H GLY A 73 22.638 0.718 -9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 73 22.332 1.454 -11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 73 23.844 2.291 -11.406 1.00 0.00 H new ATOM 1114 N PRO A 74 23.678 -0.498 -12.494 1.00 0.00 N ATOM 1115 CA PRO A 74 24.325 -1.751 -12.895 1.00 0.00 C ATOM 1116 C PRO A 74 25.776 -1.544 -13.318 1.00 0.00 C ATOM 1117 O PRO A 74 26.438 -2.476 -13.775 1.00 0.00 O ATOM 1118 CB PRO A 74 23.483 -2.221 -14.084 1.00 0.00 C ATOM 1119 CG PRO A 74 22.881 -0.975 -14.637 1.00 0.00 C ATOM 1120 CD PRO A 74 22.654 -0.067 -13.460 1.00 0.00 C ATOM 0 HA PRO A 74 24.367 -2.468 -12.076 1.00 0.00 H new ATOM 0 HB2 PRO A 74 24.097 -2.728 -14.828 1.00 0.00 H new ATOM 0 HB3 PRO A 74 22.714 -2.927 -13.770 1.00 0.00 H new ATOM 0 HG2 PRO A 74 23.545 -0.511 -15.366 1.00 0.00 H new ATOM 0 HG3 PRO A 74 21.944 -1.189 -15.151 1.00 0.00 H new ATOM 0 HD2 PRO A 74 22.775 0.982 -13.732 1.00 0.00 H new ATOM 0 HD3 PRO A 74 21.648 -0.178 -13.055 1.00 0.00 H new ATOM 1128 N SER A 75 26.264 -0.317 -13.163 1.00 0.00 N ATOM 1129 CA SER A 75 27.635 0.012 -13.532 1.00 0.00 C ATOM 1130 C SER A 75 27.852 -0.167 -15.031 1.00 0.00 C ATOM 1131 O SER A 75 28.903 -0.637 -15.466 1.00 0.00 O ATOM 1132 CB SER A 75 28.619 -0.863 -12.754 1.00 0.00 C ATOM 1133 OG SER A 75 28.529 -0.619 -11.361 1.00 0.00 O ATOM 0 H SER A 75 25.730 0.465 -12.784 1.00 0.00 H new ATOM 0 HA SER A 75 27.812 1.057 -13.280 1.00 0.00 H new ATOM 0 HB2 SER A 75 28.414 -1.914 -12.956 1.00 0.00 H new ATOM 0 HB3 SER A 75 29.635 -0.665 -13.096 1.00 0.00 H new ATOM 0 HG SER A 75 29.167 -1.192 -10.887 1.00 0.00 H new ATOM 1139 N SER A 76 26.849 0.211 -15.817 1.00 0.00 N ATOM 1140 CA SER A 76 26.927 0.089 -17.268 1.00 0.00 C ATOM 1141 C SER A 76 27.894 1.117 -17.849 1.00 0.00 C ATOM 1142 O SER A 76 27.596 2.310 -17.892 1.00 0.00 O ATOM 1143 CB SER A 76 25.541 0.267 -17.892 1.00 0.00 C ATOM 1144 OG SER A 76 25.605 0.192 -19.305 1.00 0.00 O ATOM 0 H SER A 76 25.973 0.604 -15.473 1.00 0.00 H new ATOM 0 HA SER A 76 27.299 -0.908 -17.504 1.00 0.00 H new ATOM 0 HB2 SER A 76 24.867 -0.502 -17.514 1.00 0.00 H new ATOM 0 HB3 SER A 76 25.125 1.230 -17.594 1.00 0.00 H new ATOM 0 HG SER A 76 24.707 0.307 -19.680 1.00 0.00 H new ATOM 1150 N GLY A 77 29.054 0.644 -18.294 1.00 0.00 N ATOM 1151 CA GLY A 77 30.047 1.534 -18.866 1.00 0.00 C ATOM 1152 C GLY A 77 31.251 0.788 -19.407 1.00 0.00 C ATOM 1153 O GLY A 77 31.154 -0.415 -19.643 1.00 0.00 O ATOM 0 H GLY A 77 29.324 -0.339 -18.269 1.00 0.00 H new ATOM 0 HA2 GLY A 77 29.592 2.113 -19.669 1.00 0.00 H new ATOM 0 HA3 GLY A 77 30.374 2.244 -18.107 1.00 0.00 H new TER 1157 GLY A 77 HETATM 1158 ZN ZN A 201 -4.899 8.661 -3.183 1.00 0.00 ZN HETATM 1159 ZN ZN A 401 12.107 -1.540 0.714 1.00 0.00 ZN