USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 743 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 Set 1.1: A 103 ASN : amide:sc= 0 X(o=0.0058,f=-0.48) USER MOD Set 1.2: A 104 TYR OH : rot -179:sc= 0.00581 USER MOD Set 2.1: A 69 CYS SG : rot 180:sc= 0.865 USER MOD Set 2.2: A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 105 CYS SG : rot 70:sc= 1.34 USER MOD Set 3.1: A 60 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.13) USER MOD Set 3.2: A 80 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 26 SER OG : rot -133:sc= 0.00585 USER MOD Set 4.2: A 85 SER OG : rot 117:sc= -0.0424 USER MOD Set 5.1: A 12 CYS SG : rot 79:sc= -4.35! USER MOD Set 5.2: A 50 CYS SG : rot -70:sc= -2.62! USER MOD Single : A 1 ALA N :NH3+ -158:sc= 0 (180deg=-0.518) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.4!) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 1.32 (180deg=1.18) USER MOD Single : A 14 GLN :FLIP amide:sc=-0.00517 F(o=-1.2!,f=-0.0052) USER MOD Single : A 17 LYS NZ :NH3+ 131:sc= 0.389 (180deg=-0.758) USER MOD Single : A 19 SER OG : rot 76:sc= 0.773 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.097 USER MOD Single : A 21 ASN : amide:sc= 1.22 K(o=1.2,f=-0.098) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -145:sc= 1.21 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= -0.23 (180deg=-0.258) USER MOD Single : A 40 ASN : amide:sc= -0.563! C(o=-0.56!,f=-4.9!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.086) USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 45 THR OG1 : rot 18:sc= 1.1 USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= 0.722 (180deg=0.298) USER MOD Single : A 51 TYR OH : rot 179:sc= -3.26! USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0.401 (180deg=0.29) USER MOD Single : A 59 SER OG : rot 84:sc= 0.695 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 73:sc= -0.591! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -171:sc= -0.0115 (180deg=-0.178) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 32:sc= -0.687! USER MOD Single : A 83 SER OG : rot 160:sc= -0.906 USER MOD Single : A 84 THR OG1 : rot 57:sc= 0.903 USER MOD Single : A 86 HIS : no HE2:sc= 0.353 K(o=0.35,f=-4.7!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 94 GLN :FLIP amide:sc= -1.64 F(o=-2.3!,f=-1.6) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 84:sc= 0.304 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.708 11.919 -6.697 1.00 0.54 N ATOM 2 CA ALA A 1 -2.518 10.713 -6.407 1.00 0.39 C ATOM 3 C ALA A 1 -4.005 11.032 -6.458 1.00 0.35 C ATOM 4 O ALA A 1 -4.451 12.072 -5.978 1.00 0.37 O ATOM 5 CB ALA A 1 -2.156 10.146 -5.051 1.00 0.28 C ATOM 0 H1 ALA A 1 -0.763 11.632 -7.022 1.00 0.54 H new ATOM 0 H2 ALA A 1 -2.174 12.480 -7.438 1.00 0.54 H new ATOM 0 H3 ALA A 1 -1.618 12.492 -5.834 1.00 0.54 H new ATOM 0 HA ALA A 1 -2.298 9.968 -7.172 1.00 0.39 H new ATOM 0 HB1 ALA A 1 -2.760 9.261 -4.854 1.00 0.28 H new ATOM 0 HB2 ALA A 1 -1.100 9.875 -5.040 1.00 0.28 H new ATOM 0 HB3 ALA A 1 -2.346 10.894 -4.281 1.00 0.28 H new ATOM 13 N PRO A 2 -4.782 10.139 -7.078 1.00 0.34 N ATOM 14 CA PRO A 2 -6.232 10.268 -7.205 1.00 0.34 C ATOM 15 C PRO A 2 -6.976 9.862 -5.950 1.00 0.28 C ATOM 16 O PRO A 2 -8.043 10.399 -5.645 1.00 0.28 O ATOM 17 CB PRO A 2 -6.584 9.291 -8.319 1.00 0.39 C ATOM 18 CG PRO A 2 -5.277 8.860 -8.895 1.00 0.45 C ATOM 19 CD PRO A 2 -4.312 8.945 -7.760 1.00 0.39 C ATOM 0 HA PRO A 2 -6.512 11.304 -7.396 1.00 0.34 H new ATOM 0 HB2 PRO A 2 -7.143 8.439 -7.932 1.00 0.39 H new ATOM 0 HB3 PRO A 2 -7.209 9.766 -9.075 1.00 0.39 H new ATOM 0 HG2 PRO A 2 -5.334 7.846 -9.290 1.00 0.45 H new ATOM 0 HG3 PRO A 2 -4.976 9.507 -9.719 1.00 0.45 H new ATOM 0 HD2 PRO A 2 -4.351 8.063 -7.120 1.00 0.39 H new ATOM 0 HD3 PRO A 2 -3.282 9.045 -8.102 1.00 0.39 H new ATOM 27 N THR A 3 -6.431 8.888 -5.241 1.00 0.27 N ATOM 28 CA THR A 3 -7.066 8.383 -4.047 1.00 0.24 C ATOM 29 C THR A 3 -6.057 8.243 -2.916 1.00 0.19 C ATOM 30 O THR A 3 -4.849 8.322 -3.154 1.00 0.19 O ATOM 31 CB THR A 3 -7.756 7.035 -4.310 1.00 0.31 C ATOM 32 OG1 THR A 3 -6.790 6.063 -4.729 1.00 0.34 O ATOM 33 CG2 THR A 3 -8.832 7.183 -5.380 1.00 0.37 C ATOM 0 H THR A 3 -5.549 8.434 -5.476 1.00 0.27 H new ATOM 0 HA THR A 3 -7.827 9.104 -3.750 1.00 0.24 H new ATOM 0 HB THR A 3 -8.225 6.702 -3.384 1.00 0.31 H new ATOM 0 HG1 THR A 3 -7.237 5.207 -4.893 1.00 0.34 H new ATOM 0 HG21 THR A 3 -9.309 6.218 -5.552 1.00 0.37 H new ATOM 0 HG22 THR A 3 -9.579 7.903 -5.047 1.00 0.37 H new ATOM 0 HG23 THR A 3 -8.378 7.534 -6.307 1.00 0.37 H new ATOM 41 N LEU A 4 -6.535 8.031 -1.703 1.00 0.16 N ATOM 42 CA LEU A 4 -5.669 8.065 -0.533 1.00 0.15 C ATOM 43 C LEU A 4 -4.606 6.955 -0.578 1.00 0.18 C ATOM 44 O LEU A 4 -3.463 7.157 -0.163 1.00 0.24 O ATOM 45 CB LEU A 4 -6.514 7.993 0.745 1.00 0.13 C ATOM 46 CG LEU A 4 -5.724 8.007 2.047 1.00 0.12 C ATOM 47 CD1 LEU A 4 -5.096 9.371 2.245 1.00 0.09 C ATOM 48 CD2 LEU A 4 -6.612 7.652 3.227 1.00 0.15 C ATOM 0 H LEU A 4 -7.515 7.834 -1.500 1.00 0.16 H new ATOM 0 HA LEU A 4 -5.127 9.011 -0.533 1.00 0.15 H new ATOM 0 HB2 LEU A 4 -7.208 8.834 0.751 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -7.115 7.084 0.713 1.00 0.13 H new ATOM 0 HG LEU A 4 -4.937 7.255 1.987 1.00 0.12 H new ATOM 0 HD11 LEU A 4 -4.531 9.380 3.177 1.00 0.09 H new ATOM 0 HD12 LEU A 4 -4.426 9.587 1.413 1.00 0.09 H new ATOM 0 HD13 LEU A 4 -5.878 10.129 2.288 1.00 0.09 H new ATOM 0 HD21 LEU A 4 -6.023 7.669 4.144 1.00 0.15 H new ATOM 0 HD22 LEU A 4 -7.423 8.376 3.303 1.00 0.15 H new ATOM 0 HD23 LEU A 4 -7.028 6.655 3.082 1.00 0.15 H new ATOM 60 N GLN A 5 -4.964 5.799 -1.122 1.00 0.17 N ATOM 61 CA GLN A 5 -4.026 4.689 -1.217 1.00 0.22 C ATOM 62 C GLN A 5 -2.930 4.979 -2.246 1.00 0.22 C ATOM 63 O GLN A 5 -1.790 4.541 -2.082 1.00 0.25 O ATOM 64 CB GLN A 5 -4.770 3.400 -1.553 1.00 0.29 C ATOM 65 CG GLN A 5 -3.943 2.133 -1.355 1.00 0.55 C ATOM 66 CD GLN A 5 -3.133 1.739 -2.579 1.00 0.67 C ATOM 67 OE1 GLN A 5 -3.532 1.997 -3.715 1.00 1.58 O ATOM 68 NE2 GLN A 5 -1.995 1.098 -2.357 1.00 0.73 N ATOM 0 H GLN A 5 -5.891 5.606 -1.502 1.00 0.17 H new ATOM 0 HA GLN A 5 -3.540 4.564 -0.250 1.00 0.22 H new ATOM 0 HB2 GLN A 5 -5.665 3.338 -0.933 1.00 0.29 H new ATOM 0 HB3 GLN A 5 -5.103 3.445 -2.590 1.00 0.29 H new ATOM 0 HG2 GLN A 5 -3.266 2.279 -0.513 1.00 0.55 H new ATOM 0 HG3 GLN A 5 -4.609 1.312 -1.090 1.00 0.55 H new ATOM 0 HE21 GLN A 5 -1.698 0.902 -1.401 1.00 0.73 H new ATOM 0 HE22 GLN A 5 -1.416 0.800 -3.142 1.00 0.73 H new ATOM 77 N GLU A 6 -3.256 5.731 -3.293 1.00 0.23 N ATOM 78 CA GLU A 6 -2.240 6.126 -4.263 1.00 0.24 C ATOM 79 C GLU A 6 -1.384 7.240 -3.682 1.00 0.23 C ATOM 80 O GLU A 6 -0.240 7.429 -4.080 1.00 0.24 O ATOM 81 CB GLU A 6 -2.853 6.556 -5.597 1.00 0.30 C ATOM 82 CG GLU A 6 -1.812 6.923 -6.636 1.00 0.34 C ATOM 83 CD GLU A 6 -2.178 6.494 -8.038 1.00 0.95 C ATOM 84 OE1 GLU A 6 -3.332 6.062 -8.239 1.00 1.11 O ATOM 85 OE2 GLU A 6 -1.316 6.566 -8.934 1.00 1.70 O ATOM 0 H GLU A 6 -4.196 6.074 -3.490 1.00 0.23 H new ATOM 0 HA GLU A 6 -1.615 5.257 -4.468 1.00 0.24 H new ATOM 0 HB2 GLU A 6 -3.474 5.747 -5.983 1.00 0.30 H new ATOM 0 HB3 GLU A 6 -3.509 7.410 -5.431 1.00 0.30 H new ATOM 0 HG2 GLU A 6 -1.663 8.003 -6.623 1.00 0.34 H new ATOM 0 HG3 GLU A 6 -0.861 6.466 -6.362 1.00 0.34 H new ATOM 92 N ALA A 7 -1.940 7.972 -2.726 1.00 0.22 N ATOM 93 CA ALA A 7 -1.166 8.962 -1.987 1.00 0.22 C ATOM 94 C ALA A 7 -0.110 8.245 -1.171 1.00 0.19 C ATOM 95 O ALA A 7 0.983 8.760 -0.935 1.00 0.19 O ATOM 96 CB ALA A 7 -2.071 9.796 -1.095 1.00 0.24 C ATOM 0 H ALA A 7 -2.918 7.900 -2.445 1.00 0.22 H new ATOM 0 HA ALA A 7 -0.681 9.644 -2.686 1.00 0.22 H new ATOM 0 HB1 ALA A 7 -1.473 10.528 -0.553 1.00 0.24 H new ATOM 0 HB2 ALA A 7 -2.810 10.313 -1.708 1.00 0.24 H new ATOM 0 HB3 ALA A 7 -2.581 9.146 -0.384 1.00 0.24 H new ATOM 102 N LEU A 8 -0.445 7.031 -0.766 1.00 0.17 N ATOM 103 CA LEU A 8 0.505 6.157 -0.117 1.00 0.15 C ATOM 104 C LEU A 8 1.561 5.683 -1.101 1.00 0.15 C ATOM 105 O LEU A 8 2.745 5.714 -0.811 1.00 0.16 O ATOM 106 CB LEU A 8 -0.194 4.957 0.469 1.00 0.15 C ATOM 107 CG LEU A 8 -1.118 5.233 1.627 1.00 0.12 C ATOM 108 CD1 LEU A 8 -1.387 3.945 2.364 1.00 0.15 C ATOM 109 CD2 LEU A 8 -0.521 6.260 2.558 1.00 0.12 C ATOM 0 H LEU A 8 -1.376 6.631 -0.879 1.00 0.17 H new ATOM 0 HA LEU A 8 0.985 6.724 0.681 1.00 0.15 H new ATOM 0 HB2 LEU A 8 -0.768 4.474 -0.321 1.00 0.15 H new ATOM 0 HB3 LEU A 8 0.563 4.244 0.795 1.00 0.15 H new ATOM 0 HG LEU A 8 -2.056 5.636 1.246 1.00 0.12 H new ATOM 0 HD11 LEU A 8 -2.055 4.139 3.203 1.00 0.15 H new ATOM 0 HD12 LEU A 8 -1.853 3.229 1.687 1.00 0.15 H new ATOM 0 HD13 LEU A 8 -0.448 3.535 2.735 1.00 0.15 H new ATOM 0 HD21 LEU A 8 -1.206 6.443 3.386 1.00 0.12 H new ATOM 0 HD22 LEU A 8 0.428 5.891 2.947 1.00 0.12 H new ATOM 0 HD23 LEU A 8 -0.353 7.190 2.014 1.00 0.12 H new ATOM 121 N ASP A 9 1.098 5.223 -2.257 1.00 0.15 N ATOM 122 CA ASP A 9 1.953 4.829 -3.379 1.00 0.15 C ATOM 123 C ASP A 9 2.895 5.981 -3.747 1.00 0.15 C ATOM 124 O ASP A 9 4.028 5.777 -4.180 1.00 0.15 O ATOM 125 CB ASP A 9 1.037 4.473 -4.563 1.00 0.20 C ATOM 126 CG ASP A 9 1.762 4.243 -5.877 1.00 0.97 C ATOM 127 OD1 ASP A 9 2.065 5.236 -6.578 1.00 1.61 O ATOM 128 OD2 ASP A 9 1.992 3.075 -6.235 1.00 1.34 O ATOM 0 H ASP A 9 0.102 5.110 -2.448 1.00 0.15 H new ATOM 0 HA ASP A 9 2.568 3.969 -3.114 1.00 0.15 H new ATOM 0 HB2 ASP A 9 0.474 3.574 -4.312 1.00 0.20 H new ATOM 0 HB3 ASP A 9 0.312 5.276 -4.699 1.00 0.20 H new ATOM 133 N ARG A 10 2.402 7.188 -3.526 1.00 0.17 N ATOM 134 CA ARG A 10 3.126 8.417 -3.798 1.00 0.20 C ATOM 135 C ARG A 10 4.164 8.680 -2.706 1.00 0.19 C ATOM 136 O ARG A 10 5.249 9.191 -2.971 1.00 0.24 O ATOM 137 CB ARG A 10 2.080 9.528 -3.870 1.00 0.25 C ATOM 138 CG ARG A 10 2.546 10.840 -4.446 1.00 0.67 C ATOM 139 CD ARG A 10 1.345 11.662 -4.862 1.00 0.64 C ATOM 140 NE ARG A 10 1.718 12.908 -5.529 1.00 1.02 N ATOM 141 CZ ARG A 10 1.512 14.121 -5.010 1.00 1.80 C ATOM 142 NH1 ARG A 10 0.914 14.248 -3.831 1.00 2.60 N ATOM 143 NH2 ARG A 10 1.882 15.205 -5.679 1.00 2.10 N ATOM 0 H ARG A 10 1.469 7.343 -3.145 1.00 0.17 H new ATOM 0 HA ARG A 10 3.680 8.359 -4.735 1.00 0.20 H new ATOM 0 HB2 ARG A 10 1.240 9.171 -4.466 1.00 0.25 H new ATOM 0 HB3 ARG A 10 1.702 9.710 -2.864 1.00 0.25 H new ATOM 0 HG2 ARG A 10 3.135 11.385 -3.708 1.00 0.67 H new ATOM 0 HG3 ARG A 10 3.194 10.663 -5.304 1.00 0.67 H new ATOM 0 HD2 ARG A 10 0.719 11.071 -5.530 1.00 0.64 H new ATOM 0 HD3 ARG A 10 0.744 11.891 -3.982 1.00 0.64 H new ATOM 0 HE ARG A 10 2.162 12.847 -6.445 1.00 1.02 H new ATOM 0 HH11 ARG A 10 0.611 13.418 -3.321 1.00 2.60 H new ATOM 0 HH12 ARG A 10 0.757 15.175 -3.436 1.00 2.60 H new ATOM 0 HH21 ARG A 10 2.325 15.114 -6.593 1.00 2.10 H new ATOM 0 HH22 ARG A 10 1.723 16.130 -5.279 1.00 2.10 H new ATOM 157 N LYS A 11 3.821 8.302 -1.482 1.00 0.18 N ATOM 158 CA LYS A 11 4.749 8.338 -0.365 1.00 0.21 C ATOM 159 C LYS A 11 5.797 7.255 -0.570 1.00 0.18 C ATOM 160 O LYS A 11 6.992 7.456 -0.367 1.00 0.18 O ATOM 161 CB LYS A 11 3.994 8.099 0.929 1.00 0.26 C ATOM 162 CG LYS A 11 4.876 8.191 2.154 1.00 0.42 C ATOM 163 CD LYS A 11 5.622 9.506 2.217 1.00 0.52 C ATOM 164 CE LYS A 11 4.672 10.660 2.383 1.00 0.59 C ATOM 165 NZ LYS A 11 5.328 11.850 2.984 1.00 0.99 N ATOM 0 H LYS A 11 2.891 7.962 -1.238 1.00 0.18 H new ATOM 0 HA LYS A 11 5.236 9.312 -0.310 1.00 0.21 H new ATOM 0 HB2 LYS A 11 3.188 8.828 1.013 1.00 0.26 H new ATOM 0 HB3 LYS A 11 3.530 7.113 0.896 1.00 0.26 H new ATOM 0 HG2 LYS A 11 4.266 8.077 3.050 1.00 0.42 H new ATOM 0 HG3 LYS A 11 5.591 7.368 2.149 1.00 0.42 H new ATOM 0 HD2 LYS A 11 6.327 9.488 3.048 1.00 0.52 H new ATOM 0 HD3 LYS A 11 6.206 9.640 1.307 1.00 0.52 H new ATOM 0 HE2 LYS A 11 4.257 10.929 1.411 1.00 0.59 H new ATOM 0 HE3 LYS A 11 3.837 10.352 3.012 1.00 0.59 H new ATOM 0 HZ1 LYS A 11 4.606 12.555 3.235 1.00 0.99 H new ATOM 0 HZ2 LYS A 11 5.846 11.566 3.840 1.00 0.99 H new ATOM 0 HZ3 LYS A 11 5.992 12.263 2.299 1.00 0.99 H new ATOM 179 N CYS A 12 5.301 6.109 -0.993 1.00 0.16 N ATOM 180 CA CYS A 12 6.108 4.961 -1.358 1.00 0.14 C ATOM 181 C CYS A 12 7.118 5.309 -2.441 1.00 0.14 C ATOM 182 O CYS A 12 8.246 4.815 -2.435 1.00 0.14 O ATOM 183 CB CYS A 12 5.174 3.842 -1.815 1.00 0.13 C ATOM 184 SG CYS A 12 4.175 3.169 -0.474 1.00 0.15 S ATOM 0 H CYS A 12 4.299 5.946 -1.095 1.00 0.16 H new ATOM 0 HA CYS A 12 6.683 4.633 -0.492 1.00 0.14 H new ATOM 0 HB2 CYS A 12 4.516 4.222 -2.596 1.00 0.13 H new ATOM 0 HB3 CYS A 12 5.765 3.041 -2.258 1.00 0.13 H new ATOM 0 HG CYS A 12 3.176 3.966 -0.235 1.00 0.15 H new ATOM 190 N ALA A 13 6.722 6.183 -3.351 1.00 0.17 N ATOM 191 CA ALA A 13 7.590 6.609 -4.433 1.00 0.20 C ATOM 192 C ALA A 13 8.704 7.492 -3.888 1.00 0.21 C ATOM 193 O ALA A 13 9.808 7.529 -4.429 1.00 0.28 O ATOM 194 CB ALA A 13 6.778 7.351 -5.482 1.00 0.25 C ATOM 0 H ALA A 13 5.797 6.614 -3.360 1.00 0.17 H new ATOM 0 HA ALA A 13 8.042 5.734 -4.900 1.00 0.20 H new ATOM 0 HB1 ALA A 13 7.434 7.669 -6.292 1.00 0.25 H new ATOM 0 HB2 ALA A 13 6.006 6.691 -5.878 1.00 0.25 H new ATOM 0 HB3 ALA A 13 6.311 8.226 -5.029 1.00 0.25 H new ATOM 200 N GLN A 14 8.409 8.167 -2.787 1.00 0.20 N ATOM 201 CA GLN A 14 9.338 9.097 -2.170 1.00 0.23 C ATOM 202 C GLN A 14 10.465 8.367 -1.460 1.00 0.26 C ATOM 203 O GLN A 14 11.561 8.890 -1.331 1.00 0.43 O ATOM 204 CB GLN A 14 8.606 9.980 -1.179 1.00 0.24 C ATOM 205 CG GLN A 14 7.683 10.972 -1.844 1.00 0.26 C ATOM 206 CD GLN A 14 7.043 11.934 -0.862 1.00 0.32 C ATOM 207 OE1 GLN A 14 7.771 12.286 0.188 1.00 0.87 O flip ATOM 208 NE2 GLN A 14 5.913 12.381 -1.060 1.00 1.07 N flip ATOM 0 H GLN A 14 7.518 8.084 -2.297 1.00 0.20 H new ATOM 0 HA GLN A 14 9.771 9.709 -2.961 1.00 0.23 H new ATOM 0 HB2 GLN A 14 8.028 9.353 -0.500 1.00 0.24 H new ATOM 0 HB3 GLN A 14 9.335 10.519 -0.574 1.00 0.24 H new ATOM 0 HG2 GLN A 14 8.243 11.539 -2.588 1.00 0.26 H new ATOM 0 HG3 GLN A 14 6.901 10.432 -2.377 1.00 0.26 H new ATOM 0 HE21 GLN A 14 5.384 12.085 -1.881 1.00 1.07 H new ATOM 0 HE22 GLN A 14 5.506 13.047 -0.404 1.00 1.07 H new ATOM 217 N PHE A 15 10.173 7.172 -0.982 1.00 0.20 N ATOM 218 CA PHE A 15 11.164 6.362 -0.281 1.00 0.20 C ATOM 219 C PHE A 15 11.768 5.313 -1.205 1.00 0.19 C ATOM 220 O PHE A 15 12.992 5.180 -1.304 1.00 0.24 O ATOM 221 CB PHE A 15 10.529 5.660 0.917 1.00 0.21 C ATOM 222 CG PHE A 15 9.841 6.587 1.865 1.00 0.23 C ATOM 223 CD1 PHE A 15 10.522 7.640 2.450 1.00 0.36 C ATOM 224 CD2 PHE A 15 8.506 6.412 2.157 1.00 0.18 C ATOM 225 CE1 PHE A 15 9.878 8.500 3.311 1.00 0.42 C ATOM 226 CE2 PHE A 15 7.858 7.265 3.012 1.00 0.24 C ATOM 227 CZ PHE A 15 8.543 8.312 3.591 1.00 0.33 C ATOM 0 H PHE A 15 9.255 6.735 -1.065 1.00 0.20 H new ATOM 0 HA PHE A 15 11.953 7.032 0.061 1.00 0.20 H new ATOM 0 HB2 PHE A 15 9.810 4.925 0.556 1.00 0.21 H new ATOM 0 HB3 PHE A 15 11.301 5.112 1.456 1.00 0.21 H new ATOM 0 HD1 PHE A 15 11.569 7.789 2.229 1.00 0.36 H new ATOM 0 HD2 PHE A 15 7.964 5.593 1.707 1.00 0.18 H new ATOM 0 HE1 PHE A 15 10.417 9.318 3.765 1.00 0.42 H new ATOM 0 HE2 PHE A 15 6.811 7.117 3.232 1.00 0.24 H new ATOM 0 HZ PHE A 15 8.033 8.985 4.264 1.00 0.33 H new ATOM 237 N GLY A 16 10.898 4.565 -1.877 1.00 0.15 N ATOM 238 CA GLY A 16 11.334 3.508 -2.758 1.00 0.15 C ATOM 239 C GLY A 16 12.258 4.012 -3.834 1.00 0.15 C ATOM 240 O GLY A 16 13.425 3.641 -3.895 1.00 0.18 O ATOM 0 H GLY A 16 9.886 4.679 -1.822 1.00 0.15 H new ATOM 0 HA2 GLY A 16 11.841 2.738 -2.176 1.00 0.15 H new ATOM 0 HA3 GLY A 16 10.465 3.039 -3.218 1.00 0.15 H new ATOM 244 N LYS A 17 11.748 4.890 -4.666 1.00 0.18 N ATOM 245 CA LYS A 17 12.492 5.344 -5.812 1.00 0.23 C ATOM 246 C LYS A 17 13.599 6.301 -5.387 1.00 0.28 C ATOM 247 O LYS A 17 14.549 6.520 -6.123 1.00 0.34 O ATOM 248 CB LYS A 17 11.559 5.994 -6.809 1.00 0.28 C ATOM 249 CG LYS A 17 10.291 5.195 -7.055 1.00 0.28 C ATOM 250 CD LYS A 17 10.585 3.811 -7.613 1.00 0.27 C ATOM 251 CE LYS A 17 9.338 3.187 -8.209 1.00 0.90 C ATOM 252 NZ LYS A 17 8.837 3.960 -9.379 1.00 1.24 N ATOM 0 H LYS A 17 10.820 5.303 -4.569 1.00 0.18 H new ATOM 0 HA LYS A 17 12.963 4.486 -6.292 1.00 0.23 H new ATOM 0 HB2 LYS A 17 11.290 6.988 -6.450 1.00 0.28 H new ATOM 0 HB3 LYS A 17 12.085 6.128 -7.754 1.00 0.28 H new ATOM 0 HG2 LYS A 17 9.737 5.099 -6.121 1.00 0.28 H new ATOM 0 HG3 LYS A 17 9.651 5.737 -7.751 1.00 0.28 H new ATOM 0 HD2 LYS A 17 11.361 3.880 -8.375 1.00 0.27 H new ATOM 0 HD3 LYS A 17 10.973 3.171 -6.821 1.00 0.27 H new ATOM 0 HE2 LYS A 17 9.555 2.164 -8.515 1.00 0.90 H new ATOM 0 HE3 LYS A 17 8.559 3.134 -7.448 1.00 0.90 H new ATOM 0 HZ1 LYS A 17 8.657 3.312 -10.172 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 7.954 4.446 -9.122 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 9.549 4.663 -9.661 1.00 1.24 H new ATOM 266 N GLU A 18 13.470 6.867 -4.196 1.00 0.27 N ATOM 267 CA GLU A 18 14.583 7.578 -3.572 1.00 0.34 C ATOM 268 C GLU A 18 15.768 6.630 -3.434 1.00 0.35 C ATOM 269 O GLU A 18 16.898 6.959 -3.794 1.00 0.43 O ATOM 270 CB GLU A 18 14.175 8.112 -2.202 1.00 0.36 C ATOM 271 CG GLU A 18 15.333 8.644 -1.374 1.00 0.53 C ATOM 272 CD GLU A 18 14.927 8.990 0.044 1.00 1.01 C ATOM 273 OE1 GLU A 18 14.406 10.106 0.265 1.00 1.47 O ATOM 274 OE2 GLU A 18 15.129 8.149 0.945 1.00 1.55 O ATOM 0 H GLU A 18 12.613 6.850 -3.643 1.00 0.27 H new ATOM 0 HA GLU A 18 14.864 8.425 -4.198 1.00 0.34 H new ATOM 0 HB2 GLU A 18 13.443 8.908 -2.337 1.00 0.36 H new ATOM 0 HB3 GLU A 18 13.680 7.316 -1.646 1.00 0.36 H new ATOM 0 HG2 GLU A 18 16.128 7.899 -1.348 1.00 0.53 H new ATOM 0 HG3 GLU A 18 15.742 9.531 -1.857 1.00 0.53 H new ATOM 281 N SER A 19 15.482 5.435 -2.935 1.00 0.30 N ATOM 282 CA SER A 19 16.470 4.376 -2.859 1.00 0.32 C ATOM 283 C SER A 19 16.969 4.035 -4.256 1.00 0.33 C ATOM 284 O SER A 19 18.164 3.836 -4.471 1.00 0.40 O ATOM 285 CB SER A 19 15.862 3.151 -2.191 1.00 0.29 C ATOM 286 OG SER A 19 15.278 3.491 -0.940 1.00 0.30 O ATOM 0 H SER A 19 14.563 5.177 -2.574 1.00 0.30 H new ATOM 0 HA SER A 19 17.317 4.712 -2.261 1.00 0.32 H new ATOM 0 HB2 SER A 19 15.105 2.714 -2.843 1.00 0.29 H new ATOM 0 HB3 SER A 19 16.631 2.393 -2.043 1.00 0.29 H new ATOM 0 HG SER A 19 14.424 3.947 -1.091 1.00 0.30 H new ATOM 292 N CYS A 20 16.045 3.998 -5.206 1.00 0.30 N ATOM 293 CA CYS A 20 16.378 3.761 -6.603 1.00 0.33 C ATOM 294 C CYS A 20 17.326 4.841 -7.122 1.00 0.39 C ATOM 295 O CYS A 20 18.251 4.552 -7.881 1.00 0.43 O ATOM 296 CB CYS A 20 15.091 3.701 -7.436 1.00 0.32 C ATOM 297 SG CYS A 20 15.107 4.690 -8.952 1.00 1.08 S ATOM 0 H CYS A 20 15.049 4.131 -5.031 1.00 0.30 H new ATOM 0 HA CYS A 20 16.893 2.804 -6.692 1.00 0.33 H new ATOM 0 HB2 CYS A 20 14.897 2.662 -7.701 1.00 0.32 H new ATOM 0 HB3 CYS A 20 14.259 4.032 -6.814 1.00 0.32 H new ATOM 0 HG CYS A 20 13.970 4.557 -9.569 1.00 1.08 H new ATOM 303 N ASN A 21 17.111 6.078 -6.681 1.00 0.44 N ATOM 304 CA ASN A 21 17.968 7.197 -7.059 1.00 0.52 C ATOM 305 C ASN A 21 19.330 7.086 -6.390 1.00 0.58 C ATOM 306 O ASN A 21 20.334 7.567 -6.914 1.00 0.69 O ATOM 307 CB ASN A 21 17.313 8.531 -6.698 1.00 0.55 C ATOM 308 CG ASN A 21 16.368 9.033 -7.775 1.00 0.56 C ATOM 309 OD1 ASN A 21 16.777 9.757 -8.681 1.00 0.83 O ATOM 310 ND2 ASN A 21 15.105 8.650 -7.692 1.00 0.58 N ATOM 0 H ASN A 21 16.345 6.331 -6.057 1.00 0.44 H new ATOM 0 HA ASN A 21 18.107 7.159 -8.139 1.00 0.52 H new ATOM 0 HB2 ASN A 21 16.764 8.420 -5.763 1.00 0.55 H new ATOM 0 HB3 ASN A 21 18.089 9.277 -6.526 1.00 0.55 H new ATOM 0 HD21 ASN A 21 14.432 8.956 -8.395 1.00 0.58 H new ATOM 0 HD22 ASN A 21 14.804 8.049 -6.925 1.00 0.58 H new ATOM 317 N SER A 22 19.359 6.442 -5.233 1.00 0.55 N ATOM 318 CA SER A 22 20.598 6.236 -4.502 1.00 0.63 C ATOM 319 C SER A 22 21.419 5.109 -5.127 1.00 0.63 C ATOM 320 O SER A 22 22.632 5.038 -4.935 1.00 0.76 O ATOM 321 CB SER A 22 20.296 5.929 -3.037 1.00 0.67 C ATOM 322 OG SER A 22 21.487 5.739 -2.288 1.00 1.28 O ATOM 0 H SER A 22 18.533 6.052 -4.779 1.00 0.55 H new ATOM 0 HA SER A 22 21.187 7.151 -4.556 1.00 0.63 H new ATOM 0 HB2 SER A 22 19.720 6.747 -2.604 1.00 0.67 H new ATOM 0 HB3 SER A 22 19.678 5.034 -2.972 1.00 0.67 H new ATOM 0 HG SER A 22 21.259 5.546 -1.355 1.00 1.28 H new ATOM 328 N GLY A 23 20.753 4.233 -5.871 1.00 0.52 N ATOM 329 CA GLY A 23 21.453 3.139 -6.522 1.00 0.57 C ATOM 330 C GLY A 23 20.753 1.807 -6.349 1.00 0.50 C ATOM 331 O GLY A 23 21.264 0.772 -6.781 1.00 0.57 O ATOM 0 H GLY A 23 19.747 4.259 -6.035 1.00 0.52 H new ATOM 0 HA2 GLY A 23 21.550 3.358 -7.585 1.00 0.57 H new ATOM 0 HA3 GLY A 23 22.463 3.069 -6.118 1.00 0.57 H new ATOM 335 N LEU A 24 19.593 1.820 -5.707 1.00 0.41 N ATOM 336 CA LEU A 24 18.820 0.602 -5.529 1.00 0.35 C ATOM 337 C LEU A 24 18.159 0.197 -6.831 1.00 0.37 C ATOM 338 O LEU A 24 17.116 0.730 -7.212 1.00 0.53 O ATOM 339 CB LEU A 24 17.772 0.767 -4.427 1.00 0.30 C ATOM 340 CG LEU A 24 18.015 -0.077 -3.177 1.00 0.38 C ATOM 341 CD1 LEU A 24 17.530 -1.498 -3.392 1.00 0.44 C ATOM 342 CD2 LEU A 24 19.489 -0.073 -2.817 1.00 0.48 C ATOM 0 H LEU A 24 19.170 2.656 -5.304 1.00 0.41 H new ATOM 0 HA LEU A 24 19.506 -0.188 -5.225 1.00 0.35 H new ATOM 0 HB2 LEU A 24 17.733 1.817 -4.137 1.00 0.30 H new ATOM 0 HB3 LEU A 24 16.794 0.513 -4.835 1.00 0.30 H new ATOM 0 HG LEU A 24 17.452 0.359 -2.352 1.00 0.38 H new ATOM 0 HD11 LEU A 24 17.711 -2.085 -2.491 1.00 0.44 H new ATOM 0 HD12 LEU A 24 16.462 -1.489 -3.610 1.00 0.44 H new ATOM 0 HD13 LEU A 24 18.068 -1.943 -4.229 1.00 0.44 H new ATOM 0 HD21 LEU A 24 19.647 -0.678 -1.924 1.00 0.48 H new ATOM 0 HD22 LEU A 24 20.067 -0.487 -3.643 1.00 0.48 H new ATOM 0 HD23 LEU A 24 19.814 0.949 -2.624 1.00 0.48 H new ATOM 354 N ALA A 25 18.789 -0.759 -7.493 1.00 0.32 N ATOM 355 CA ALA A 25 18.319 -1.277 -8.774 1.00 0.33 C ATOM 356 C ALA A 25 16.891 -1.778 -8.683 1.00 0.31 C ATOM 357 O ALA A 25 16.138 -1.724 -9.648 1.00 0.41 O ATOM 358 CB ALA A 25 19.210 -2.410 -9.216 1.00 0.37 C ATOM 0 H ALA A 25 19.645 -1.202 -7.158 1.00 0.32 H new ATOM 0 HA ALA A 25 18.351 -0.462 -9.497 1.00 0.33 H new ATOM 0 HB1 ALA A 25 18.859 -2.797 -10.173 1.00 0.37 H new ATOM 0 HB2 ALA A 25 20.232 -2.048 -9.324 1.00 0.37 H new ATOM 0 HB3 ALA A 25 19.184 -3.205 -8.471 1.00 0.37 H new ATOM 364 N SER A 26 16.550 -2.274 -7.513 1.00 0.25 N ATOM 365 CA SER A 26 15.239 -2.820 -7.245 1.00 0.22 C ATOM 366 C SER A 26 14.113 -1.842 -7.597 1.00 0.19 C ATOM 367 O SER A 26 13.284 -2.139 -8.453 1.00 0.22 O ATOM 368 CB SER A 26 15.181 -3.202 -5.794 1.00 0.24 C ATOM 369 OG SER A 26 16.158 -4.181 -5.486 1.00 1.04 O ATOM 0 H SER A 26 17.182 -2.309 -6.714 1.00 0.25 H new ATOM 0 HA SER A 26 15.086 -3.694 -7.878 1.00 0.22 H new ATOM 0 HB2 SER A 26 15.339 -2.319 -5.175 1.00 0.24 H new ATOM 0 HB3 SER A 26 14.189 -3.585 -5.555 1.00 0.24 H new ATOM 0 HG SER A 26 15.746 -4.902 -4.966 1.00 1.04 H new ATOM 375 N TYR A 27 14.087 -0.676 -6.943 1.00 0.16 N ATOM 376 CA TYR A 27 13.027 0.307 -7.179 1.00 0.16 C ATOM 377 C TYR A 27 13.214 0.960 -8.541 1.00 0.21 C ATOM 378 O TYR A 27 12.293 1.570 -9.084 1.00 0.26 O ATOM 379 CB TYR A 27 13.009 1.373 -6.072 1.00 0.15 C ATOM 380 CG TYR A 27 13.155 0.785 -4.691 1.00 0.14 C ATOM 381 CD1 TYR A 27 12.095 0.126 -4.092 1.00 0.14 C ATOM 382 CD2 TYR A 27 14.361 0.853 -4.003 1.00 0.18 C ATOM 383 CE1 TYR A 27 12.218 -0.445 -2.846 1.00 0.17 C ATOM 384 CE2 TYR A 27 14.495 0.274 -2.756 1.00 0.22 C ATOM 385 CZ TYR A 27 13.422 -0.372 -2.181 1.00 0.21 C ATOM 386 OH TYR A 27 13.558 -0.954 -0.944 1.00 0.27 O ATOM 0 H TYR A 27 14.782 -0.392 -6.252 1.00 0.16 H new ATOM 0 HA TYR A 27 12.068 -0.212 -7.163 1.00 0.16 H new ATOM 0 HB2 TYR A 27 13.816 2.084 -6.246 1.00 0.15 H new ATOM 0 HB3 TYR A 27 12.075 1.931 -6.127 1.00 0.15 H new ATOM 0 HD1 TYR A 27 11.152 0.059 -4.614 1.00 0.14 H new ATOM 0 HD2 TYR A 27 15.202 1.364 -4.448 1.00 0.18 H new ATOM 0 HE1 TYR A 27 11.376 -0.947 -2.393 1.00 0.17 H new ATOM 0 HE2 TYR A 27 15.438 0.327 -2.233 1.00 0.22 H new ATOM 0 HH TYR A 27 14.470 -0.812 -0.614 1.00 0.27 H new ATOM 396 N CYS A 28 14.412 0.814 -9.090 1.00 0.25 N ATOM 397 CA CYS A 28 14.732 1.368 -10.388 1.00 0.31 C ATOM 398 C CYS A 28 14.114 0.502 -11.483 1.00 0.41 C ATOM 399 O CYS A 28 14.577 -0.609 -11.751 1.00 0.48 O ATOM 400 CB CYS A 28 16.249 1.452 -10.563 1.00 0.35 C ATOM 401 SG CYS A 28 16.779 2.434 -11.983 1.00 0.81 S ATOM 0 H CYS A 28 15.181 0.311 -8.648 1.00 0.25 H new ATOM 0 HA CYS A 28 14.320 2.375 -10.461 1.00 0.31 H new ATOM 0 HB2 CYS A 28 16.684 1.877 -9.659 1.00 0.35 H new ATOM 0 HB3 CYS A 28 16.648 0.443 -10.665 1.00 0.35 H new ATOM 0 HG CYS A 28 18.078 2.445 -12.042 1.00 0.81 H new ATOM 407 N GLY A 29 13.063 1.011 -12.107 1.00 0.50 N ATOM 408 CA GLY A 29 12.341 0.236 -13.097 1.00 0.65 C ATOM 409 C GLY A 29 11.181 -0.517 -12.480 1.00 0.57 C ATOM 410 O GLY A 29 10.581 -1.393 -13.111 1.00 0.74 O ATOM 0 H GLY A 29 12.696 1.949 -11.946 1.00 0.50 H new ATOM 0 HA2 GLY A 29 11.970 0.899 -13.879 1.00 0.65 H new ATOM 0 HA3 GLY A 29 13.021 -0.470 -13.574 1.00 0.65 H new ATOM 414 N ALA A 30 10.866 -0.168 -11.243 1.00 0.43 N ATOM 415 CA ALA A 30 9.813 -0.827 -10.495 1.00 0.35 C ATOM 416 C ALA A 30 8.652 0.118 -10.231 1.00 0.30 C ATOM 417 O ALA A 30 8.771 1.327 -10.396 1.00 0.41 O ATOM 418 CB ALA A 30 10.364 -1.347 -9.182 1.00 0.33 C ATOM 0 H ALA A 30 11.334 0.580 -10.731 1.00 0.43 H new ATOM 0 HA ALA A 30 9.442 -1.661 -11.091 1.00 0.35 H new ATOM 0 HB1 ALA A 30 9.569 -1.841 -8.624 1.00 0.33 H new ATOM 0 HB2 ALA A 30 11.165 -2.059 -9.380 1.00 0.33 H new ATOM 0 HB3 ALA A 30 10.755 -0.515 -8.596 1.00 0.33 H new ATOM 424 N ALA A 31 7.527 -0.456 -9.847 1.00 0.24 N ATOM 425 CA ALA A 31 6.356 0.295 -9.434 1.00 0.19 C ATOM 426 C ALA A 31 6.159 0.099 -7.945 1.00 0.18 C ATOM 427 O ALA A 31 5.862 -0.999 -7.522 1.00 0.30 O ATOM 428 CB ALA A 31 5.148 -0.204 -10.194 1.00 0.19 C ATOM 0 H ALA A 31 7.399 -1.467 -9.813 1.00 0.24 H new ATOM 0 HA ALA A 31 6.489 1.356 -9.647 1.00 0.19 H new ATOM 0 HB1 ALA A 31 4.267 0.358 -9.886 1.00 0.19 H new ATOM 0 HB2 ALA A 31 5.309 -0.068 -11.263 1.00 0.19 H new ATOM 0 HB3 ALA A 31 4.996 -1.262 -9.981 1.00 0.19 H new ATOM 434 N ILE A 32 6.330 1.128 -7.136 1.00 0.14 N ATOM 435 CA ILE A 32 6.292 0.914 -5.700 1.00 0.13 C ATOM 436 C ILE A 32 4.951 1.311 -5.113 1.00 0.13 C ATOM 437 O ILE A 32 4.470 2.426 -5.296 1.00 0.21 O ATOM 438 CB ILE A 32 7.432 1.629 -4.947 1.00 0.13 C ATOM 439 CG1 ILE A 32 7.420 1.186 -3.487 1.00 0.13 C ATOM 440 CG2 ILE A 32 7.280 3.130 -5.049 1.00 0.15 C ATOM 441 CD1 ILE A 32 8.769 1.254 -2.828 1.00 0.15 C ATOM 0 H ILE A 32 6.491 2.090 -7.434 1.00 0.14 H new ATOM 0 HA ILE A 32 6.438 -0.157 -5.561 1.00 0.13 H new ATOM 0 HB ILE A 32 8.387 1.360 -5.399 1.00 0.13 H new ATOM 0 HG12 ILE A 32 6.721 1.812 -2.932 1.00 0.13 H new ATOM 0 HG13 ILE A 32 7.047 0.163 -3.429 1.00 0.13 H new ATOM 0 HG21 ILE A 32 8.094 3.616 -4.511 1.00 0.15 H new ATOM 0 HG22 ILE A 32 7.309 3.428 -6.097 1.00 0.15 H new ATOM 0 HG23 ILE A 32 6.327 3.430 -4.612 1.00 0.15 H new ATOM 0 HD11 ILE A 32 8.685 0.925 -1.792 1.00 0.15 H new ATOM 0 HD12 ILE A 32 9.466 0.606 -3.359 1.00 0.15 H new ATOM 0 HD13 ILE A 32 9.135 2.280 -2.854 1.00 0.15 H new ATOM 453 N TYR A 33 4.368 0.376 -4.392 1.00 0.10 N ATOM 454 CA TYR A 33 3.028 0.526 -3.870 1.00 0.10 C ATOM 455 C TYR A 33 3.036 0.467 -2.358 1.00 0.09 C ATOM 456 O TYR A 33 3.956 -0.080 -1.744 1.00 0.09 O ATOM 457 CB TYR A 33 2.134 -0.594 -4.395 1.00 0.10 C ATOM 458 CG TYR A 33 2.115 -0.716 -5.893 1.00 0.12 C ATOM 459 CD1 TYR A 33 1.268 0.065 -6.663 1.00 0.16 C ATOM 460 CD2 TYR A 33 2.937 -1.626 -6.537 1.00 0.13 C ATOM 461 CE1 TYR A 33 1.240 -0.059 -8.037 1.00 0.19 C ATOM 462 CE2 TYR A 33 2.922 -1.752 -7.906 1.00 0.16 C ATOM 463 CZ TYR A 33 2.071 -0.970 -8.655 1.00 0.19 C ATOM 464 OH TYR A 33 2.047 -1.107 -10.025 1.00 0.24 O ATOM 0 H TYR A 33 4.812 -0.510 -4.152 1.00 0.10 H new ATOM 0 HA TYR A 33 2.646 1.494 -4.195 1.00 0.10 H new ATOM 0 HB2 TYR A 33 2.468 -1.540 -3.969 1.00 0.10 H new ATOM 0 HB3 TYR A 33 1.116 -0.427 -4.042 1.00 0.10 H new ATOM 0 HD1 TYR A 33 0.620 0.782 -6.180 1.00 0.16 H new ATOM 0 HD2 TYR A 33 3.601 -2.247 -5.954 1.00 0.13 H new ATOM 0 HE1 TYR A 33 0.572 0.553 -8.625 1.00 0.19 H new ATOM 0 HE2 TYR A 33 3.575 -2.462 -8.392 1.00 0.16 H new ATOM 0 HH TYR A 33 2.195 -2.046 -10.262 1.00 0.24 H new ATOM 474 N ALA A 34 2.000 1.021 -1.764 1.00 0.11 N ATOM 475 CA ALA A 34 1.818 0.940 -0.334 1.00 0.11 C ATOM 476 C ALA A 34 1.034 -0.294 0.016 1.00 0.10 C ATOM 477 O ALA A 34 -0.111 -0.445 -0.409 1.00 0.14 O ATOM 478 CB ALA A 34 1.082 2.149 0.175 1.00 0.12 C ATOM 0 H ALA A 34 1.268 1.535 -2.255 1.00 0.11 H new ATOM 0 HA ALA A 34 2.802 0.897 0.132 1.00 0.11 H new ATOM 0 HB1 ALA A 34 0.954 2.070 1.255 1.00 0.12 H new ATOM 0 HB2 ALA A 34 1.653 3.048 -0.058 1.00 0.12 H new ATOM 0 HB3 ALA A 34 0.104 2.207 -0.303 1.00 0.12 H new ATOM 484 N ARG A 35 1.633 -1.179 0.777 1.00 0.09 N ATOM 485 CA ARG A 35 0.926 -2.355 1.201 1.00 0.09 C ATOM 486 C ARG A 35 1.160 -2.597 2.678 1.00 0.08 C ATOM 487 O ARG A 35 2.291 -2.739 3.135 1.00 0.08 O ATOM 488 CB ARG A 35 1.327 -3.577 0.364 1.00 0.10 C ATOM 489 CG ARG A 35 0.156 -4.493 0.074 1.00 0.12 C ATOM 490 CD ARG A 35 -0.918 -3.768 -0.724 1.00 0.16 C ATOM 491 NE ARG A 35 -0.427 -3.360 -2.042 1.00 0.19 N ATOM 492 CZ ARG A 35 -1.210 -3.004 -3.065 1.00 0.39 C ATOM 493 NH1 ARG A 35 -2.525 -3.047 -2.951 1.00 0.62 N ATOM 494 NH2 ARG A 35 -0.672 -2.608 -4.210 1.00 0.40 N ATOM 0 H ARG A 35 2.595 -1.106 1.109 1.00 0.09 H new ATOM 0 HA ARG A 35 -0.140 -2.194 1.043 1.00 0.09 H new ATOM 0 HB2 ARG A 35 1.763 -3.241 -0.577 1.00 0.10 H new ATOM 0 HB3 ARG A 35 2.100 -4.137 0.891 1.00 0.10 H new ATOM 0 HG2 ARG A 35 0.501 -5.365 -0.482 1.00 0.12 H new ATOM 0 HG3 ARG A 35 -0.266 -4.858 1.011 1.00 0.12 H new ATOM 0 HD2 ARG A 35 -1.785 -4.418 -0.843 1.00 0.16 H new ATOM 0 HD3 ARG A 35 -1.252 -2.890 -0.172 1.00 0.16 H new ATOM 0 HE ARG A 35 0.582 -3.347 -2.189 1.00 0.19 H new ATOM 0 HH11 ARG A 35 -2.951 -3.354 -2.077 1.00 0.62 H new ATOM 0 HH12 ARG A 35 -3.114 -2.773 -3.737 1.00 0.62 H new ATOM 0 HH21 ARG A 35 0.342 -2.574 -4.312 1.00 0.40 H new ATOM 0 HH22 ARG A 35 -1.272 -2.337 -4.989 1.00 0.40 H new ATOM 508 N TYR A 36 0.076 -2.569 3.421 1.00 0.10 N ATOM 509 CA TYR A 36 0.076 -2.936 4.817 1.00 0.11 C ATOM 510 C TYR A 36 0.177 -4.453 4.891 1.00 0.14 C ATOM 511 O TYR A 36 -0.836 -5.142 4.943 1.00 0.19 O ATOM 512 CB TYR A 36 -1.223 -2.454 5.468 1.00 0.14 C ATOM 513 CG TYR A 36 -1.183 -2.433 6.971 1.00 0.14 C ATOM 514 CD1 TYR A 36 -0.504 -1.429 7.633 1.00 0.13 C ATOM 515 CD2 TYR A 36 -1.819 -3.407 7.724 1.00 0.20 C ATOM 516 CE1 TYR A 36 -0.451 -1.382 9.006 1.00 0.15 C ATOM 517 CE2 TYR A 36 -1.775 -3.377 9.100 1.00 0.21 C ATOM 518 CZ TYR A 36 -1.089 -2.359 9.743 1.00 0.18 C ATOM 519 OH TYR A 36 -1.049 -2.313 11.117 1.00 0.20 O ATOM 0 H TYR A 36 -0.839 -2.288 3.068 1.00 0.10 H new ATOM 0 HA TYR A 36 0.913 -2.479 5.345 1.00 0.11 H new ATOM 0 HB2 TYR A 36 -1.448 -1.450 5.107 1.00 0.14 H new ATOM 0 HB3 TYR A 36 -2.040 -3.099 5.146 1.00 0.14 H new ATOM 0 HD1 TYR A 36 -0.003 -0.663 7.059 1.00 0.13 H new ATOM 0 HD2 TYR A 36 -2.356 -4.200 7.225 1.00 0.20 H new ATOM 0 HE1 TYR A 36 0.085 -0.587 9.504 1.00 0.15 H new ATOM 0 HE2 TYR A 36 -2.273 -4.143 9.675 1.00 0.21 H new ATOM 0 HH TYR A 36 -1.548 -3.072 11.484 1.00 0.20 H new ATOM 529 N ASP A 37 1.397 -4.963 4.830 1.00 0.13 N ATOM 530 CA ASP A 37 1.631 -6.406 4.793 1.00 0.17 C ATOM 531 C ASP A 37 2.949 -6.728 5.480 1.00 0.17 C ATOM 532 O ASP A 37 3.522 -5.883 6.170 1.00 0.16 O ATOM 533 CB ASP A 37 1.657 -6.951 3.347 1.00 0.19 C ATOM 534 CG ASP A 37 1.111 -8.366 3.269 1.00 0.47 C ATOM 535 OD1 ASP A 37 1.862 -9.320 3.554 1.00 0.72 O ATOM 536 OD2 ASP A 37 -0.072 -8.533 2.906 1.00 0.63 O ATOM 0 H ASP A 37 2.247 -4.400 4.805 1.00 0.13 H new ATOM 0 HA ASP A 37 0.805 -6.888 5.316 1.00 0.17 H new ATOM 0 HB2 ASP A 37 1.069 -6.298 2.702 1.00 0.19 H new ATOM 0 HB3 ASP A 37 2.680 -6.935 2.970 1.00 0.19 H new ATOM 541 N LYS A 38 3.425 -7.943 5.290 1.00 0.24 N ATOM 542 CA LYS A 38 4.678 -8.370 5.874 1.00 0.27 C ATOM 543 C LYS A 38 5.860 -7.875 5.064 1.00 0.26 C ATOM 544 O LYS A 38 5.748 -7.596 3.871 1.00 0.24 O ATOM 545 CB LYS A 38 4.748 -9.887 5.930 1.00 0.35 C ATOM 546 CG LYS A 38 3.966 -10.521 7.064 1.00 0.73 C ATOM 547 CD LYS A 38 3.887 -12.037 6.917 1.00 1.05 C ATOM 548 CE LYS A 38 5.003 -12.604 6.041 1.00 0.94 C ATOM 549 NZ LYS A 38 6.315 -12.662 6.742 1.00 1.74 N ATOM 0 H LYS A 38 2.957 -8.656 4.731 1.00 0.24 H new ATOM 0 HA LYS A 38 4.723 -7.950 6.879 1.00 0.27 H new ATOM 0 HB2 LYS A 38 4.380 -10.288 4.986 1.00 0.35 H new ATOM 0 HB3 LYS A 38 5.793 -10.185 6.018 1.00 0.35 H new ATOM 0 HG2 LYS A 38 4.437 -10.272 8.015 1.00 0.73 H new ATOM 0 HG3 LYS A 38 2.959 -10.105 7.089 1.00 0.73 H new ATOM 0 HD2 LYS A 38 3.937 -12.497 7.904 1.00 1.05 H new ATOM 0 HD3 LYS A 38 2.922 -12.306 6.488 1.00 1.05 H new ATOM 0 HE2 LYS A 38 4.727 -13.606 5.713 1.00 0.94 H new ATOM 0 HE3 LYS A 38 5.102 -11.991 5.145 1.00 0.94 H new ATOM 0 HZ1 LYS A 38 7.044 -13.006 6.086 1.00 1.74 H new ATOM 0 HZ2 LYS A 38 6.572 -11.712 7.077 1.00 1.74 H new ATOM 0 HZ3 LYS A 38 6.247 -13.309 7.554 1.00 1.74 H new ATOM 563 N GLY A 39 6.994 -7.789 5.727 1.00 0.34 N ATOM 564 CA GLY A 39 8.220 -7.443 5.058 1.00 0.39 C ATOM 565 C GLY A 39 9.002 -8.691 4.736 1.00 0.38 C ATOM 566 O GLY A 39 8.449 -9.648 4.202 1.00 0.40 O ATOM 0 H GLY A 39 7.087 -7.955 6.729 1.00 0.34 H new ATOM 0 HA2 GLY A 39 8.002 -6.894 4.142 1.00 0.39 H new ATOM 0 HA3 GLY A 39 8.815 -6.784 5.690 1.00 0.39 H new ATOM 570 N ASN A 40 10.277 -8.701 5.081 1.00 0.42 N ATOM 571 CA ASN A 40 11.098 -9.890 4.896 1.00 0.46 C ATOM 572 C ASN A 40 10.622 -10.990 5.869 1.00 0.45 C ATOM 573 O ASN A 40 9.708 -10.755 6.659 1.00 0.42 O ATOM 574 CB ASN A 40 12.580 -9.526 5.107 1.00 0.56 C ATOM 575 CG ASN A 40 13.537 -10.675 4.838 1.00 0.82 C ATOM 576 OD1 ASN A 40 13.257 -11.558 4.027 1.00 0.89 O ATOM 577 ND2 ASN A 40 14.677 -10.663 5.508 1.00 1.69 N ATOM 0 H ASN A 40 10.767 -7.905 5.489 1.00 0.42 H new ATOM 0 HA ASN A 40 10.996 -10.276 3.882 1.00 0.46 H new ATOM 0 HB2 ASN A 40 12.836 -8.691 4.454 1.00 0.56 H new ATOM 0 HB3 ASN A 40 12.718 -9.183 6.132 1.00 0.56 H new ATOM 0 HD21 ASN A 40 15.363 -11.404 5.361 1.00 1.69 H new ATOM 0 HD22 ASN A 40 14.871 -9.913 6.171 1.00 1.69 H new ATOM 584 N SER A 41 11.238 -12.173 5.813 1.00 0.57 N ATOM 585 CA SER A 41 10.789 -13.351 6.568 1.00 0.65 C ATOM 586 C SER A 41 10.424 -13.029 8.026 1.00 0.63 C ATOM 587 O SER A 41 9.251 -13.076 8.404 1.00 0.75 O ATOM 588 CB SER A 41 11.880 -14.418 6.537 1.00 0.94 C ATOM 589 OG SER A 41 12.349 -14.616 5.215 1.00 1.58 O ATOM 0 H SER A 41 12.065 -12.344 5.242 1.00 0.57 H new ATOM 0 HA SER A 41 9.880 -13.713 6.087 1.00 0.65 H new ATOM 0 HB2 SER A 41 12.707 -14.118 7.181 1.00 0.94 H new ATOM 0 HB3 SER A 41 11.490 -15.355 6.934 1.00 0.94 H new ATOM 0 HG SER A 41 13.049 -15.302 5.215 1.00 1.58 H new ATOM 595 N SER A 42 11.424 -12.682 8.828 1.00 0.70 N ATOM 596 CA SER A 42 11.218 -12.423 10.252 1.00 0.85 C ATOM 597 C SER A 42 10.530 -11.073 10.470 1.00 0.84 C ATOM 598 O SER A 42 10.098 -10.744 11.574 1.00 1.07 O ATOM 599 CB SER A 42 12.564 -12.459 10.968 1.00 1.03 C ATOM 600 OG SER A 42 13.345 -13.555 10.514 1.00 1.61 O ATOM 0 H SER A 42 12.389 -12.573 8.517 1.00 0.70 H new ATOM 0 HA SER A 42 10.567 -13.195 10.662 1.00 0.85 H new ATOM 0 HB2 SER A 42 13.100 -11.526 10.792 1.00 1.03 H new ATOM 0 HB3 SER A 42 12.407 -12.539 12.044 1.00 1.03 H new ATOM 0 HG SER A 42 14.205 -13.560 10.983 1.00 1.61 H new ATOM 606 N GLN A 43 10.410 -10.316 9.391 1.00 0.71 N ATOM 607 CA GLN A 43 9.803 -8.990 9.409 1.00 0.85 C ATOM 608 C GLN A 43 8.293 -9.076 9.207 1.00 0.89 C ATOM 609 O GLN A 43 7.699 -8.220 8.550 1.00 1.47 O ATOM 610 CB GLN A 43 10.436 -8.093 8.346 1.00 0.90 C ATOM 611 CG GLN A 43 11.883 -7.731 8.638 1.00 1.37 C ATOM 612 CD GLN A 43 12.027 -6.840 9.858 1.00 1.82 C ATOM 613 OE1 GLN A 43 11.976 -5.614 9.755 1.00 2.47 O ATOM 614 NE2 GLN A 43 12.226 -7.440 11.020 1.00 2.27 N ATOM 0 H GLN A 43 10.734 -10.605 8.468 1.00 0.71 H new ATOM 0 HA GLN A 43 9.988 -8.549 10.388 1.00 0.85 H new ATOM 0 HB2 GLN A 43 10.384 -8.596 7.380 1.00 0.90 H new ATOM 0 HB3 GLN A 43 9.851 -7.177 8.260 1.00 0.90 H new ATOM 0 HG2 GLN A 43 12.459 -8.644 8.790 1.00 1.37 H new ATOM 0 HG3 GLN A 43 12.309 -7.226 7.771 1.00 1.37 H new ATOM 0 HE21 GLN A 43 12.263 -8.458 11.069 1.00 2.27 H new ATOM 0 HE22 GLN A 43 12.343 -6.884 11.867 1.00 2.27 H new ATOM 623 N GLN A 44 7.696 -10.169 9.684 1.00 0.61 N ATOM 624 CA GLN A 44 6.245 -10.372 9.608 1.00 0.58 C ATOM 625 C GLN A 44 5.473 -9.243 10.325 1.00 0.65 C ATOM 626 O GLN A 44 6.020 -8.165 10.538 1.00 1.34 O ATOM 627 CB GLN A 44 5.881 -11.737 10.193 1.00 0.63 C ATOM 628 CG GLN A 44 6.183 -11.886 11.663 1.00 1.03 C ATOM 629 CD GLN A 44 5.786 -13.244 12.221 1.00 1.58 C ATOM 630 OE1 GLN A 44 5.885 -14.289 11.413 1.00 2.07 O flip ATOM 631 NE2 GLN A 44 5.397 -13.354 13.381 1.00 2.18 N flip ATOM 0 H GLN A 44 8.199 -10.935 10.132 1.00 0.61 H new ATOM 0 HA GLN A 44 5.952 -10.345 8.559 1.00 0.58 H new ATOM 0 HB2 GLN A 44 4.818 -11.915 10.033 1.00 0.63 H new ATOM 0 HB3 GLN A 44 6.420 -12.509 9.644 1.00 0.63 H new ATOM 0 HG2 GLN A 44 7.250 -11.731 11.826 1.00 1.03 H new ATOM 0 HG3 GLN A 44 5.660 -11.106 12.216 1.00 1.03 H new ATOM 0 HE21 GLN A 44 5.332 -12.529 13.978 1.00 2.18 H new ATOM 0 HE22 GLN A 44 5.139 -14.270 13.748 1.00 2.18 H new ATOM 640 N THR A 45 4.210 -9.507 10.693 1.00 0.27 N ATOM 641 CA THR A 45 3.285 -8.499 11.234 1.00 0.30 C ATOM 642 C THR A 45 3.097 -7.340 10.264 1.00 0.25 C ATOM 643 O THR A 45 4.010 -6.551 10.022 1.00 0.35 O ATOM 644 CB THR A 45 3.664 -7.965 12.647 1.00 0.47 C ATOM 645 OG1 THR A 45 5.019 -7.496 12.707 1.00 0.57 O ATOM 646 CG2 THR A 45 3.452 -9.038 13.704 1.00 0.59 C ATOM 0 H THR A 45 3.797 -10.437 10.623 1.00 0.27 H new ATOM 0 HA THR A 45 2.340 -9.028 11.357 1.00 0.30 H new ATOM 0 HB THR A 45 3.006 -7.119 12.847 1.00 0.47 H new ATOM 0 HG1 THR A 45 5.352 -7.341 11.798 1.00 0.57 H new ATOM 0 HG21 THR A 45 3.723 -8.643 14.683 1.00 0.59 H new ATOM 0 HG22 THR A 45 2.404 -9.339 13.712 1.00 0.59 H new ATOM 0 HG23 THR A 45 4.076 -9.902 13.476 1.00 0.59 H new ATOM 654 N LYS A 46 1.902 -7.253 9.692 1.00 0.21 N ATOM 655 CA LYS A 46 1.624 -6.243 8.690 1.00 0.18 C ATOM 656 C LYS A 46 1.745 -4.846 9.260 1.00 0.17 C ATOM 657 O LYS A 46 1.125 -4.516 10.270 1.00 0.21 O ATOM 658 CB LYS A 46 0.229 -6.372 8.104 1.00 0.20 C ATOM 659 CG LYS A 46 -0.084 -7.714 7.483 1.00 0.23 C ATOM 660 CD LYS A 46 -1.160 -7.562 6.425 1.00 0.24 C ATOM 661 CE LYS A 46 -1.688 -8.903 5.966 1.00 0.34 C ATOM 662 NZ LYS A 46 -2.649 -8.772 4.838 1.00 0.55 N ATOM 0 H LYS A 46 1.117 -7.868 9.906 1.00 0.21 H new ATOM 0 HA LYS A 46 2.366 -6.405 7.908 1.00 0.18 H new ATOM 0 HB2 LYS A 46 -0.499 -6.175 8.891 1.00 0.20 H new ATOM 0 HB3 LYS A 46 0.097 -5.599 7.347 1.00 0.20 H new ATOM 0 HG2 LYS A 46 0.817 -8.136 7.038 1.00 0.23 H new ATOM 0 HG3 LYS A 46 -0.416 -8.411 8.253 1.00 0.23 H new ATOM 0 HD2 LYS A 46 -1.980 -6.965 6.824 1.00 0.24 H new ATOM 0 HD3 LYS A 46 -0.756 -7.018 5.571 1.00 0.24 H new ATOM 0 HE2 LYS A 46 -0.854 -9.534 5.659 1.00 0.34 H new ATOM 0 HE3 LYS A 46 -2.177 -9.404 6.801 1.00 0.34 H new ATOM 0 HZ1 LYS A 46 -2.600 -9.621 4.240 1.00 0.55 H new ATOM 0 HZ2 LYS A 46 -3.613 -8.669 5.214 1.00 0.55 H new ATOM 0 HZ3 LYS A 46 -2.407 -7.934 4.271 1.00 0.55 H new ATOM 676 N GLU A 47 2.543 -4.044 8.602 1.00 0.13 N ATOM 677 CA GLU A 47 2.611 -2.619 8.868 1.00 0.14 C ATOM 678 C GLU A 47 2.803 -1.915 7.549 1.00 0.11 C ATOM 679 O GLU A 47 3.280 -2.524 6.593 1.00 0.12 O ATOM 680 CB GLU A 47 3.744 -2.263 9.825 1.00 0.18 C ATOM 681 CG GLU A 47 3.555 -2.839 11.215 1.00 0.32 C ATOM 682 CD GLU A 47 4.762 -2.627 12.103 1.00 0.33 C ATOM 683 OE1 GLU A 47 5.817 -3.246 11.855 1.00 0.47 O ATOM 684 OE2 GLU A 47 4.659 -1.845 13.065 1.00 0.64 O ATOM 0 H GLU A 47 3.170 -4.358 7.861 1.00 0.13 H new ATOM 0 HA GLU A 47 1.687 -2.303 9.352 1.00 0.14 H new ATOM 0 HB2 GLU A 47 4.686 -2.626 9.413 1.00 0.18 H new ATOM 0 HB3 GLU A 47 3.824 -1.178 9.896 1.00 0.18 H new ATOM 0 HG2 GLU A 47 2.682 -2.379 11.679 1.00 0.32 H new ATOM 0 HG3 GLU A 47 3.349 -3.907 11.137 1.00 0.32 H new ATOM 691 N TRP A 48 2.396 -0.661 7.481 1.00 0.11 N ATOM 692 CA TRP A 48 2.526 0.091 6.255 1.00 0.11 C ATOM 693 C TRP A 48 3.968 0.154 5.816 1.00 0.10 C ATOM 694 O TRP A 48 4.800 0.770 6.460 1.00 0.12 O ATOM 695 CB TRP A 48 2.011 1.502 6.416 1.00 0.12 C ATOM 696 CG TRP A 48 0.531 1.621 6.341 1.00 0.12 C ATOM 697 CD1 TRP A 48 -0.302 2.061 7.320 1.00 0.13 C ATOM 698 CD2 TRP A 48 -0.289 1.292 5.220 1.00 0.12 C ATOM 699 NE1 TRP A 48 -1.601 2.047 6.863 1.00 0.13 N ATOM 700 CE2 TRP A 48 -1.618 1.567 5.582 1.00 0.12 C ATOM 701 CE3 TRP A 48 -0.026 0.791 3.945 1.00 0.12 C ATOM 702 CZ2 TRP A 48 -2.682 1.361 4.712 1.00 0.13 C ATOM 703 CZ3 TRP A 48 -1.081 0.586 3.081 1.00 0.13 C ATOM 704 CH2 TRP A 48 -2.398 0.869 3.469 1.00 0.14 C ATOM 0 H TRP A 48 1.976 -0.148 8.256 1.00 0.11 H new ATOM 0 HA TRP A 48 1.931 -0.425 5.502 1.00 0.11 H new ATOM 0 HB2 TRP A 48 2.348 1.893 7.376 1.00 0.12 H new ATOM 0 HB3 TRP A 48 2.455 2.130 5.643 1.00 0.12 H new ATOM 0 HD1 TRP A 48 0.007 2.374 8.306 1.00 0.13 H new ATOM 0 HE1 TRP A 48 -2.419 2.346 7.394 1.00 0.13 H new ATOM 0 HE3 TRP A 48 0.986 0.568 3.640 1.00 0.12 H new ATOM 0 HZ2 TRP A 48 -3.697 1.582 5.008 1.00 0.13 H new ATOM 0 HZ3 TRP A 48 -0.890 0.201 2.090 1.00 0.13 H new ATOM 0 HH2 TRP A 48 -3.204 0.695 2.772 1.00 0.14 H new ATOM 715 N ARG A 49 4.264 -0.475 4.722 1.00 0.11 N ATOM 716 CA ARG A 49 5.600 -0.449 4.202 1.00 0.13 C ATOM 717 C ARG A 49 5.536 -0.228 2.715 1.00 0.11 C ATOM 718 O ARG A 49 4.479 -0.404 2.097 1.00 0.13 O ATOM 719 CB ARG A 49 6.323 -1.750 4.557 1.00 0.15 C ATOM 720 CG ARG A 49 6.559 -1.913 6.053 1.00 0.21 C ATOM 721 CD ARG A 49 6.649 -3.368 6.461 1.00 0.31 C ATOM 722 NE ARG A 49 6.518 -3.537 7.907 1.00 0.51 N ATOM 723 CZ ARG A 49 6.624 -4.710 8.524 1.00 0.30 C ATOM 724 NH1 ARG A 49 6.831 -5.803 7.815 1.00 0.82 N ATOM 725 NH2 ARG A 49 6.503 -4.799 9.841 1.00 0.45 N ATOM 0 H ARG A 49 3.599 -1.015 4.169 1.00 0.11 H new ATOM 0 HA ARG A 49 6.168 0.368 4.648 1.00 0.13 H new ATOM 0 HB2 ARG A 49 5.738 -2.595 4.193 1.00 0.15 H new ATOM 0 HB3 ARG A 49 7.281 -1.779 4.039 1.00 0.15 H new ATOM 0 HG2 ARG A 49 7.480 -1.401 6.332 1.00 0.21 H new ATOM 0 HG3 ARG A 49 5.749 -1.433 6.602 1.00 0.21 H new ATOM 0 HD2 ARG A 49 5.867 -3.936 5.957 1.00 0.31 H new ATOM 0 HD3 ARG A 49 7.604 -3.779 6.132 1.00 0.31 H new ATOM 0 HE ARG A 49 6.335 -2.709 8.474 1.00 0.51 H new ATOM 0 HH11 ARG A 49 6.909 -5.745 6.800 1.00 0.82 H new ATOM 0 HH12 ARG A 49 6.913 -6.706 8.282 1.00 0.82 H new ATOM 0 HH21 ARG A 49 6.326 -3.961 10.395 1.00 0.45 H new ATOM 0 HH22 ARG A 49 6.587 -5.706 10.301 1.00 0.45 H new ATOM 739 N CYS A 50 6.643 0.155 2.135 1.00 0.11 N ATOM 740 CA CYS A 50 6.659 0.442 0.732 1.00 0.11 C ATOM 741 C CYS A 50 7.226 -0.757 0.017 1.00 0.11 C ATOM 742 O CYS A 50 8.356 -1.172 0.269 1.00 0.17 O ATOM 743 CB CYS A 50 7.505 1.689 0.463 1.00 0.19 C ATOM 744 SG CYS A 50 7.039 3.121 1.464 1.00 1.13 S ATOM 0 H CYS A 50 7.537 0.274 2.611 1.00 0.11 H new ATOM 0 HA CYS A 50 5.650 0.641 0.370 1.00 0.11 H new ATOM 0 HB2 CYS A 50 8.552 1.453 0.650 1.00 0.19 H new ATOM 0 HB3 CYS A 50 7.421 1.952 -0.591 1.00 0.19 H new ATOM 0 HG CYS A 50 5.882 3.566 1.072 1.00 1.13 H new ATOM 750 N TYR A 51 6.427 -1.307 -0.871 1.00 0.10 N ATOM 751 CA TYR A 51 6.781 -2.510 -1.582 1.00 0.11 C ATOM 752 C TYR A 51 6.682 -2.253 -3.063 1.00 0.10 C ATOM 753 O TYR A 51 5.617 -1.893 -3.561 1.00 0.11 O ATOM 754 CB TYR A 51 5.833 -3.655 -1.219 1.00 0.11 C ATOM 755 CG TYR A 51 5.769 -3.985 0.241 1.00 0.12 C ATOM 756 CD1 TYR A 51 6.933 -4.131 0.968 1.00 0.14 C ATOM 757 CD2 TYR A 51 4.561 -4.144 0.892 1.00 0.14 C ATOM 758 CE1 TYR A 51 6.897 -4.429 2.312 1.00 0.16 C ATOM 759 CE2 TYR A 51 4.512 -4.444 2.236 1.00 0.16 C ATOM 760 CZ TYR A 51 5.615 -4.606 2.933 1.00 0.16 C ATOM 761 OH TYR A 51 5.644 -4.886 4.276 1.00 0.20 O ATOM 0 H TYR A 51 5.512 -0.930 -1.119 1.00 0.10 H new ATOM 0 HA TYR A 51 7.797 -2.791 -1.306 1.00 0.11 H new ATOM 0 HB2 TYR A 51 4.831 -3.400 -1.563 1.00 0.11 H new ATOM 0 HB3 TYR A 51 6.139 -4.547 -1.765 1.00 0.11 H new ATOM 0 HD1 TYR A 51 7.886 -4.010 0.475 1.00 0.14 H new ATOM 0 HD2 TYR A 51 3.640 -4.031 0.339 1.00 0.14 H new ATOM 0 HE1 TYR A 51 7.808 -4.527 2.883 1.00 0.16 H new ATOM 0 HE2 TYR A 51 3.554 -4.548 2.724 1.00 0.16 H new ATOM 0 HH TYR A 51 4.727 -4.972 4.612 1.00 0.20 H new ATOM 771 N ILE A 52 7.775 -2.403 -3.768 1.00 0.11 N ATOM 772 CA ILE A 52 7.706 -2.322 -5.202 1.00 0.12 C ATOM 773 C ILE A 52 7.008 -3.553 -5.746 1.00 0.15 C ATOM 774 O ILE A 52 7.041 -4.617 -5.134 1.00 0.17 O ATOM 775 CB ILE A 52 9.077 -2.152 -5.860 1.00 0.15 C ATOM 776 CG1 ILE A 52 10.144 -2.912 -5.130 1.00 0.23 C ATOM 777 CG2 ILE A 52 9.459 -0.690 -5.915 1.00 0.12 C ATOM 778 CD1 ILE A 52 11.469 -2.794 -5.833 1.00 0.24 C ATOM 0 H ILE A 52 8.703 -2.578 -3.382 1.00 0.11 H new ATOM 0 HA ILE A 52 7.135 -1.427 -5.448 1.00 0.12 H new ATOM 0 HB ILE A 52 8.999 -2.553 -6.871 1.00 0.15 H new ATOM 0 HG12 ILE A 52 10.234 -2.533 -4.112 1.00 0.23 H new ATOM 0 HG13 ILE A 52 9.861 -3.962 -5.055 1.00 0.23 H new ATOM 0 HG21 ILE A 52 10.437 -0.587 -6.386 1.00 0.12 H new ATOM 0 HG22 ILE A 52 8.717 -0.142 -6.495 1.00 0.12 H new ATOM 0 HG23 ILE A 52 9.499 -0.286 -4.903 1.00 0.12 H new ATOM 0 HD11 ILE A 52 12.224 -3.354 -5.282 1.00 0.24 H new ATOM 0 HD12 ILE A 52 11.383 -3.197 -6.842 1.00 0.24 H new ATOM 0 HD13 ILE A 52 11.761 -1.745 -5.885 1.00 0.24 H new ATOM 790 N GLU A 53 6.351 -3.370 -6.885 1.00 0.16 N ATOM 791 CA GLU A 53 5.546 -4.396 -7.537 1.00 0.18 C ATOM 792 C GLU A 53 6.319 -5.699 -7.691 1.00 0.20 C ATOM 793 O GLU A 53 5.734 -6.776 -7.807 1.00 0.24 O ATOM 794 CB GLU A 53 5.085 -3.886 -8.899 1.00 0.19 C ATOM 795 CG GLU A 53 4.248 -4.887 -9.663 1.00 0.22 C ATOM 796 CD GLU A 53 3.739 -4.324 -10.970 1.00 0.27 C ATOM 797 OE1 GLU A 53 2.717 -3.609 -10.958 1.00 0.34 O ATOM 798 OE2 GLU A 53 4.374 -4.577 -12.016 1.00 0.39 O ATOM 0 H GLU A 53 6.363 -2.485 -7.392 1.00 0.16 H new ATOM 0 HA GLU A 53 4.678 -4.605 -6.911 1.00 0.18 H new ATOM 0 HB2 GLU A 53 4.508 -2.972 -8.760 1.00 0.19 H new ATOM 0 HB3 GLU A 53 5.959 -3.624 -9.495 1.00 0.19 H new ATOM 0 HG2 GLU A 53 4.842 -5.780 -9.860 1.00 0.22 H new ATOM 0 HG3 GLU A 53 3.403 -5.196 -9.048 1.00 0.22 H new ATOM 805 N LYS A 54 7.636 -5.577 -7.690 1.00 0.20 N ATOM 806 CA LYS A 54 8.528 -6.717 -7.689 1.00 0.24 C ATOM 807 C LYS A 54 8.230 -7.658 -6.525 1.00 0.25 C ATOM 808 O LYS A 54 8.244 -8.880 -6.669 1.00 0.30 O ATOM 809 CB LYS A 54 9.969 -6.229 -7.551 1.00 0.26 C ATOM 810 CG LYS A 54 10.816 -6.461 -8.787 1.00 0.79 C ATOM 811 CD LYS A 54 12.287 -6.597 -8.429 1.00 1.67 C ATOM 812 CE LYS A 54 12.676 -8.049 -8.178 1.00 2.57 C ATOM 813 NZ LYS A 54 11.814 -8.710 -7.157 1.00 3.37 N ATOM 0 H LYS A 54 8.116 -4.677 -7.690 1.00 0.20 H new ATOM 0 HA LYS A 54 8.383 -7.256 -8.625 1.00 0.24 H new ATOM 0 HB2 LYS A 54 9.961 -5.163 -7.322 1.00 0.26 H new ATOM 0 HB3 LYS A 54 10.434 -6.733 -6.704 1.00 0.26 H new ATOM 0 HG2 LYS A 54 10.479 -7.363 -9.298 1.00 0.79 H new ATOM 0 HG3 LYS A 54 10.684 -5.632 -9.482 1.00 0.79 H new ATOM 0 HD2 LYS A 54 12.897 -6.192 -9.237 1.00 1.67 H new ATOM 0 HD3 LYS A 54 12.501 -6.004 -7.540 1.00 1.67 H new ATOM 0 HE2 LYS A 54 12.613 -8.604 -9.114 1.00 2.57 H new ATOM 0 HE3 LYS A 54 13.715 -8.091 -7.852 1.00 2.57 H new ATOM 0 HZ1 LYS A 54 12.155 -9.678 -6.989 1.00 3.37 H new ATOM 0 HZ2 LYS A 54 11.852 -8.171 -6.269 1.00 3.37 H new ATOM 0 HZ3 LYS A 54 10.833 -8.743 -7.500 1.00 3.37 H new ATOM 827 N GLU A 55 7.959 -7.062 -5.375 1.00 0.22 N ATOM 828 CA GLU A 55 7.890 -7.785 -4.120 1.00 0.26 C ATOM 829 C GLU A 55 6.455 -8.161 -3.736 1.00 0.24 C ATOM 830 O GLU A 55 6.245 -9.022 -2.881 1.00 0.38 O ATOM 831 CB GLU A 55 8.536 -6.929 -3.038 1.00 0.28 C ATOM 832 CG GLU A 55 9.871 -6.342 -3.469 1.00 0.27 C ATOM 833 CD GLU A 55 10.939 -7.395 -3.687 1.00 0.32 C ATOM 834 OE1 GLU A 55 11.294 -8.096 -2.717 1.00 0.71 O ATOM 835 OE2 GLU A 55 11.394 -7.555 -4.841 1.00 0.70 O ATOM 0 H GLU A 55 7.781 -6.062 -5.288 1.00 0.22 H new ATOM 0 HA GLU A 55 8.427 -8.727 -4.230 1.00 0.26 H new ATOM 0 HB2 GLU A 55 7.858 -6.119 -2.769 1.00 0.28 H new ATOM 0 HB3 GLU A 55 8.682 -7.533 -2.142 1.00 0.28 H new ATOM 0 HG2 GLU A 55 9.732 -5.777 -4.391 1.00 0.27 H new ATOM 0 HG3 GLU A 55 10.213 -5.637 -2.711 1.00 0.27 H new ATOM 842 N LEU A 56 5.466 -7.519 -4.354 1.00 0.15 N ATOM 843 CA LEU A 56 4.080 -7.883 -4.122 1.00 0.14 C ATOM 844 C LEU A 56 3.695 -9.086 -4.961 1.00 0.16 C ATOM 845 O LEU A 56 4.461 -9.566 -5.798 1.00 0.22 O ATOM 846 CB LEU A 56 3.113 -6.754 -4.485 1.00 0.14 C ATOM 847 CG LEU A 56 3.045 -5.555 -3.545 1.00 0.13 C ATOM 848 CD1 LEU A 56 4.314 -4.749 -3.654 1.00 0.12 C ATOM 849 CD2 LEU A 56 1.861 -4.695 -3.925 1.00 0.15 C ATOM 0 H LEU A 56 5.601 -6.752 -5.012 1.00 0.15 H new ATOM 0 HA LEU A 56 4.003 -8.102 -3.057 1.00 0.14 H new ATOM 0 HB2 LEU A 56 3.379 -6.389 -5.477 1.00 0.14 H new ATOM 0 HB3 LEU A 56 2.112 -7.180 -4.560 1.00 0.14 H new ATOM 0 HG LEU A 56 2.932 -5.902 -2.518 1.00 0.13 H new ATOM 0 HD11 LEU A 56 4.261 -3.894 -2.981 1.00 0.12 H new ATOM 0 HD12 LEU A 56 5.166 -5.373 -3.382 1.00 0.12 H new ATOM 0 HD13 LEU A 56 4.435 -4.397 -4.679 1.00 0.12 H new ATOM 0 HD21 LEU A 56 1.806 -3.836 -3.257 1.00 0.15 H new ATOM 0 HD22 LEU A 56 1.977 -4.349 -4.952 1.00 0.15 H new ATOM 0 HD23 LEU A 56 0.945 -5.279 -3.840 1.00 0.15 H new ATOM 861 N ASP A 57 2.495 -9.548 -4.719 1.00 0.16 N ATOM 862 CA ASP A 57 1.866 -10.565 -5.532 1.00 0.19 C ATOM 863 C ASP A 57 0.444 -10.130 -5.833 1.00 0.21 C ATOM 864 O ASP A 57 -0.331 -9.863 -4.915 1.00 0.24 O ATOM 865 CB ASP A 57 1.845 -11.912 -4.807 1.00 0.22 C ATOM 866 CG ASP A 57 1.327 -13.033 -5.685 1.00 0.28 C ATOM 867 OD1 ASP A 57 1.182 -12.821 -6.901 1.00 0.98 O ATOM 868 OD2 ASP A 57 1.066 -14.138 -5.161 1.00 0.80 O ATOM 0 H ASP A 57 1.917 -9.226 -3.942 1.00 0.16 H new ATOM 0 HA ASP A 57 2.434 -10.686 -6.454 1.00 0.19 H new ATOM 0 HB2 ASP A 57 2.852 -12.155 -4.469 1.00 0.22 H new ATOM 0 HB3 ASP A 57 1.220 -11.833 -3.917 1.00 0.22 H new ATOM 873 N PHE A 58 0.107 -10.036 -7.109 1.00 0.21 N ATOM 874 CA PHE A 58 -1.242 -9.662 -7.514 1.00 0.23 C ATOM 875 C PHE A 58 -2.117 -10.901 -7.633 1.00 0.28 C ATOM 876 O PHE A 58 -3.257 -10.838 -8.090 1.00 0.35 O ATOM 877 CB PHE A 58 -1.216 -8.880 -8.824 1.00 0.27 C ATOM 878 CG PHE A 58 -0.815 -7.444 -8.647 1.00 0.26 C ATOM 879 CD1 PHE A 58 0.501 -7.095 -8.382 1.00 0.25 C ATOM 880 CD2 PHE A 58 -1.761 -6.441 -8.749 1.00 0.30 C ATOM 881 CE1 PHE A 58 0.865 -5.770 -8.227 1.00 0.27 C ATOM 882 CE2 PHE A 58 -1.404 -5.112 -8.594 1.00 0.33 C ATOM 883 CZ PHE A 58 -0.089 -4.778 -8.333 1.00 0.31 C ATOM 0 H PHE A 58 0.747 -10.213 -7.883 1.00 0.21 H new ATOM 0 HA PHE A 58 -1.669 -9.013 -6.749 1.00 0.23 H new ATOM 0 HB2 PHE A 58 -0.523 -9.362 -9.514 1.00 0.27 H new ATOM 0 HB3 PHE A 58 -2.203 -8.921 -9.284 1.00 0.27 H new ATOM 0 HD1 PHE A 58 1.251 -7.868 -8.296 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -2.790 -6.697 -8.952 1.00 0.30 H new ATOM 0 HE1 PHE A 58 1.894 -5.512 -8.023 1.00 0.27 H new ATOM 0 HE2 PHE A 58 -2.152 -4.338 -8.677 1.00 0.33 H new ATOM 0 HZ PHE A 58 0.192 -3.742 -8.212 1.00 0.31 H new ATOM 893 N SER A 59 -1.564 -12.032 -7.216 1.00 0.27 N ATOM 894 CA SER A 59 -2.330 -13.253 -7.068 1.00 0.33 C ATOM 895 C SER A 59 -2.910 -13.258 -5.666 1.00 0.33 C ATOM 896 O SER A 59 -3.761 -14.072 -5.309 1.00 0.38 O ATOM 897 CB SER A 59 -1.440 -14.461 -7.289 1.00 0.38 C ATOM 898 OG SER A 59 -0.644 -14.303 -8.454 1.00 1.29 O ATOM 0 H SER A 59 -0.578 -12.125 -6.973 1.00 0.27 H new ATOM 0 HA SER A 59 -3.131 -13.300 -7.806 1.00 0.33 H new ATOM 0 HB2 SER A 59 -0.796 -14.606 -6.422 1.00 0.38 H new ATOM 0 HB3 SER A 59 -2.054 -15.357 -7.383 1.00 0.38 H new ATOM 0 HG SER A 59 0.161 -13.790 -8.233 1.00 1.29 H new ATOM 904 N LYS A 60 -2.417 -12.312 -4.883 1.00 0.29 N ATOM 905 CA LYS A 60 -2.934 -12.039 -3.569 1.00 0.29 C ATOM 906 C LYS A 60 -3.749 -10.765 -3.635 1.00 0.29 C ATOM 907 O LYS A 60 -3.259 -9.734 -4.105 1.00 0.30 O ATOM 908 CB LYS A 60 -1.797 -11.832 -2.574 1.00 0.31 C ATOM 909 CG LYS A 60 -1.555 -12.996 -1.623 1.00 0.46 C ATOM 910 CD LYS A 60 -0.580 -14.017 -2.186 1.00 0.97 C ATOM 911 CE LYS A 60 -1.238 -14.963 -3.174 1.00 1.43 C ATOM 912 NZ LYS A 60 -0.259 -15.920 -3.749 1.00 2.40 N ATOM 0 H LYS A 60 -1.639 -11.711 -5.153 1.00 0.29 H new ATOM 0 HA LYS A 60 -3.541 -12.883 -3.242 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -0.879 -11.639 -3.129 1.00 0.31 H new ATOM 0 HB3 LYS A 60 -2.007 -10.939 -1.985 1.00 0.31 H new ATOM 0 HG2 LYS A 60 -1.170 -12.614 -0.678 1.00 0.46 H new ATOM 0 HG3 LYS A 60 -2.504 -13.486 -1.406 1.00 0.46 H new ATOM 0 HD2 LYS A 60 0.242 -13.497 -2.678 1.00 0.97 H new ATOM 0 HD3 LYS A 60 -0.149 -14.593 -1.367 1.00 0.97 H new ATOM 0 HE2 LYS A 60 -2.036 -15.513 -2.676 1.00 1.43 H new ATOM 0 HE3 LYS A 60 -1.700 -14.388 -3.976 1.00 1.43 H new ATOM 0 HZ1 LYS A 60 -0.724 -16.494 -4.481 1.00 2.40 H new ATOM 0 HZ2 LYS A 60 0.533 -15.395 -4.172 1.00 2.40 H new ATOM 0 HZ3 LYS A 60 0.101 -16.542 -2.997 1.00 2.40 H new ATOM 926 N SER A 61 -4.984 -10.818 -3.187 1.00 0.33 N ATOM 927 CA SER A 61 -5.754 -9.607 -3.071 1.00 0.36 C ATOM 928 C SER A 61 -5.381 -8.927 -1.765 1.00 0.40 C ATOM 929 O SER A 61 -5.452 -9.525 -0.691 1.00 0.49 O ATOM 930 CB SER A 61 -7.245 -9.891 -3.140 1.00 0.45 C ATOM 931 OG SER A 61 -7.557 -10.684 -4.274 1.00 1.19 O ATOM 0 H SER A 61 -5.466 -11.671 -2.903 1.00 0.33 H new ATOM 0 HA SER A 61 -5.525 -8.946 -3.907 1.00 0.36 H new ATOM 0 HB2 SER A 61 -7.564 -10.405 -2.233 1.00 0.45 H new ATOM 0 HB3 SER A 61 -7.797 -8.952 -3.185 1.00 0.45 H new ATOM 0 HG SER A 61 -8.521 -10.856 -4.298 1.00 1.19 H new ATOM 937 N GLY A 62 -4.969 -7.684 -1.871 1.00 0.42 N ATOM 938 CA GLY A 62 -4.363 -7.008 -0.752 1.00 0.53 C ATOM 939 C GLY A 62 -5.361 -6.444 0.221 1.00 0.36 C ATOM 940 O GLY A 62 -5.902 -5.361 0.006 1.00 0.28 O ATOM 0 H GLY A 62 -5.043 -7.123 -2.720 1.00 0.42 H new ATOM 0 HA2 GLY A 62 -3.710 -7.705 -0.227 1.00 0.53 H new ATOM 0 HA3 GLY A 62 -3.733 -6.200 -1.124 1.00 0.53 H new ATOM 944 N ASP A 63 -5.583 -7.166 1.304 1.00 0.39 N ATOM 945 CA ASP A 63 -6.396 -6.682 2.415 1.00 0.35 C ATOM 946 C ASP A 63 -5.575 -5.724 3.270 1.00 0.28 C ATOM 947 O ASP A 63 -5.886 -5.469 4.432 1.00 0.36 O ATOM 948 CB ASP A 63 -6.858 -7.863 3.273 1.00 0.53 C ATOM 949 CG ASP A 63 -5.686 -8.626 3.871 1.00 1.59 C ATOM 950 OD1 ASP A 63 -4.951 -9.287 3.108 1.00 2.10 O ATOM 951 OD2 ASP A 63 -5.483 -8.568 5.105 1.00 2.41 O ATOM 0 H ASP A 63 -5.207 -8.104 1.442 1.00 0.39 H new ATOM 0 HA ASP A 63 -7.268 -6.161 2.020 1.00 0.35 H new ATOM 0 HB2 ASP A 63 -7.501 -7.499 4.075 1.00 0.53 H new ATOM 0 HB3 ASP A 63 -7.459 -8.540 2.665 1.00 0.53 H new ATOM 956 N GLY A 64 -4.536 -5.184 2.659 1.00 0.19 N ATOM 957 CA GLY A 64 -3.590 -4.353 3.362 1.00 0.17 C ATOM 958 C GLY A 64 -3.420 -3.032 2.653 1.00 0.14 C ATOM 959 O GLY A 64 -2.333 -2.477 2.574 1.00 0.20 O ATOM 0 H GLY A 64 -4.330 -5.311 1.668 1.00 0.19 H new ATOM 0 HA2 GLY A 64 -3.934 -4.183 4.382 1.00 0.17 H new ATOM 0 HA3 GLY A 64 -2.629 -4.863 3.430 1.00 0.17 H new ATOM 963 N CYS A 65 -4.499 -2.558 2.087 1.00 0.16 N ATOM 964 CA CYS A 65 -4.532 -1.251 1.471 1.00 0.19 C ATOM 965 C CYS A 65 -5.416 -0.370 2.317 1.00 0.20 C ATOM 966 O CYS A 65 -6.002 -0.831 3.284 1.00 0.28 O ATOM 967 CB CYS A 65 -5.105 -1.357 0.059 1.00 0.20 C ATOM 968 SG CYS A 65 -4.522 -2.803 -0.850 1.00 0.30 S ATOM 0 H CYS A 65 -5.382 -3.065 2.038 1.00 0.16 H new ATOM 0 HA CYS A 65 -3.527 -0.834 1.404 1.00 0.19 H new ATOM 0 HB2 CYS A 65 -6.193 -1.390 0.119 1.00 0.20 H new ATOM 0 HB3 CYS A 65 -4.844 -0.458 -0.499 1.00 0.20 H new ATOM 0 HG CYS A 65 -5.089 -3.872 -0.375 1.00 0.30 H new ATOM 974 N VAL A 66 -5.499 0.881 1.968 1.00 0.23 N ATOM 975 CA VAL A 66 -6.436 1.779 2.600 1.00 0.20 C ATOM 976 C VAL A 66 -7.308 2.365 1.517 1.00 0.20 C ATOM 977 O VAL A 66 -6.866 2.521 0.380 1.00 0.25 O ATOM 978 CB VAL A 66 -5.710 2.891 3.389 1.00 0.20 C ATOM 979 CG1 VAL A 66 -4.501 3.366 2.619 1.00 0.20 C ATOM 980 CG2 VAL A 66 -6.610 4.066 3.696 1.00 0.20 C ATOM 0 H VAL A 66 -4.925 1.311 1.242 1.00 0.23 H new ATOM 0 HA VAL A 66 -7.043 1.234 3.323 1.00 0.20 H new ATOM 0 HB VAL A 66 -5.402 2.458 4.341 1.00 0.20 H new ATOM 0 HG11 VAL A 66 -3.995 4.150 3.183 1.00 0.20 H new ATOM 0 HG12 VAL A 66 -3.817 2.531 2.465 1.00 0.20 H new ATOM 0 HG13 VAL A 66 -4.817 3.760 1.653 1.00 0.20 H new ATOM 0 HG21 VAL A 66 -6.050 4.818 4.252 1.00 0.20 H new ATOM 0 HG22 VAL A 66 -6.973 4.499 2.764 1.00 0.20 H new ATOM 0 HG23 VAL A 66 -7.457 3.729 4.294 1.00 0.20 H new ATOM 990 N ASP A 67 -8.544 2.645 1.847 1.00 0.18 N ATOM 991 CA ASP A 67 -9.468 3.173 0.864 1.00 0.23 C ATOM 992 C ASP A 67 -9.249 4.679 0.765 1.00 0.24 C ATOM 993 O ASP A 67 -8.144 5.152 1.034 1.00 0.26 O ATOM 994 CB ASP A 67 -10.922 2.794 1.205 1.00 0.29 C ATOM 995 CG ASP A 67 -11.526 3.571 2.365 1.00 0.85 C ATOM 996 OD1 ASP A 67 -11.262 3.207 3.530 1.00 1.49 O ATOM 997 OD2 ASP A 67 -12.237 4.561 2.117 1.00 1.04 O ATOM 0 H ASP A 67 -8.935 2.519 2.780 1.00 0.18 H new ATOM 0 HA ASP A 67 -9.278 2.731 -0.114 1.00 0.23 H new ATOM 0 HB2 ASP A 67 -11.540 2.949 0.321 1.00 0.29 H new ATOM 0 HB3 ASP A 67 -10.961 1.730 1.439 1.00 0.29 H new ATOM 1002 N ASP A 68 -10.244 5.440 0.359 1.00 0.28 N ATOM 1003 CA ASP A 68 -10.047 6.883 0.299 1.00 0.32 C ATOM 1004 C ASP A 68 -10.018 7.451 1.707 1.00 0.33 C ATOM 1005 O ASP A 68 -9.388 8.463 1.955 1.00 0.73 O ATOM 1006 CB ASP A 68 -11.079 7.613 -0.571 1.00 0.45 C ATOM 1007 CG ASP A 68 -12.515 7.413 -0.142 1.00 1.28 C ATOM 1008 OD1 ASP A 68 -12.825 7.702 1.034 1.00 2.10 O ATOM 1009 OD2 ASP A 68 -13.322 6.910 -0.945 1.00 1.41 O ATOM 0 H ASP A 68 -11.165 5.106 0.075 1.00 0.28 H new ATOM 0 HA ASP A 68 -9.088 7.054 -0.189 1.00 0.32 H new ATOM 0 HB2 ASP A 68 -10.855 8.680 -0.560 1.00 0.45 H new ATOM 0 HB3 ASP A 68 -10.971 7.275 -1.602 1.00 0.45 H new ATOM 1014 N CYS A 69 -10.674 6.781 2.633 1.00 0.32 N ATOM 1015 CA CYS A 69 -10.549 7.121 4.036 1.00 0.28 C ATOM 1016 C CYS A 69 -9.579 6.128 4.656 1.00 0.24 C ATOM 1017 O CYS A 69 -9.311 5.094 4.060 1.00 0.23 O ATOM 1018 CB CYS A 69 -11.913 7.044 4.724 1.00 0.40 C ATOM 1019 SG CYS A 69 -11.929 7.658 6.430 1.00 1.49 S ATOM 0 H CYS A 69 -11.299 5.998 2.439 1.00 0.32 H new ATOM 0 HA CYS A 69 -10.180 8.140 4.156 1.00 0.28 H new ATOM 0 HB2 CYS A 69 -12.634 7.615 4.139 1.00 0.40 H new ATOM 0 HB3 CYS A 69 -12.250 6.007 4.721 1.00 0.40 H new ATOM 0 HG CYS A 69 -13.129 7.551 6.919 1.00 1.49 H new ATOM 1025 N GLY A 70 -9.031 6.429 5.825 1.00 0.25 N ATOM 1026 CA GLY A 70 -8.109 5.500 6.446 1.00 0.25 C ATOM 1027 C GLY A 70 -8.822 4.300 7.027 1.00 0.28 C ATOM 1028 O GLY A 70 -9.010 4.192 8.240 1.00 0.36 O ATOM 0 H GLY A 70 -9.205 7.287 6.348 1.00 0.25 H new ATOM 0 HA2 GLY A 70 -7.379 5.166 5.709 1.00 0.25 H new ATOM 0 HA3 GLY A 70 -7.556 6.010 7.234 1.00 0.25 H new ATOM 1032 N SER A 71 -9.238 3.424 6.138 1.00 0.25 N ATOM 1033 CA SER A 71 -9.779 2.132 6.477 1.00 0.28 C ATOM 1034 C SER A 71 -9.162 1.122 5.530 1.00 0.25 C ATOM 1035 O SER A 71 -9.091 1.363 4.325 1.00 0.24 O ATOM 1036 CB SER A 71 -11.305 2.138 6.341 1.00 0.34 C ATOM 1037 OG SER A 71 -11.853 0.848 6.560 1.00 1.10 O ATOM 0 H SER A 71 -9.207 3.599 5.134 1.00 0.25 H new ATOM 0 HA SER A 71 -9.546 1.877 7.511 1.00 0.28 H new ATOM 0 HB2 SER A 71 -11.732 2.842 7.056 1.00 0.34 H new ATOM 0 HB3 SER A 71 -11.581 2.487 5.346 1.00 0.34 H new ATOM 0 HG SER A 71 -12.828 0.887 6.468 1.00 1.10 H new ATOM 1043 N MET A 72 -8.669 0.019 6.059 1.00 0.32 N ATOM 1044 CA MET A 72 -7.998 -0.945 5.217 1.00 0.30 C ATOM 1045 C MET A 72 -8.967 -1.605 4.253 1.00 0.30 C ATOM 1046 O MET A 72 -9.863 -2.352 4.651 1.00 0.46 O ATOM 1047 CB MET A 72 -7.271 -2.001 6.027 1.00 0.36 C ATOM 1048 CG MET A 72 -6.428 -1.439 7.157 1.00 0.85 C ATOM 1049 SD MET A 72 -5.219 -2.626 7.782 1.00 1.03 S ATOM 1050 CE MET A 72 -6.286 -3.975 8.283 1.00 1.68 C ATOM 0 H MET A 72 -8.719 -0.227 7.048 1.00 0.32 H new ATOM 0 HA MET A 72 -7.255 -0.392 4.643 1.00 0.30 H new ATOM 0 HB2 MET A 72 -8.003 -2.693 6.443 1.00 0.36 H new ATOM 0 HB3 MET A 72 -6.629 -2.578 5.361 1.00 0.36 H new ATOM 0 HG2 MET A 72 -5.908 -0.547 6.808 1.00 0.85 H new ATOM 0 HG3 MET A 72 -7.081 -1.129 7.972 1.00 0.85 H new ATOM 0 HE1 MET A 72 -5.704 -4.714 8.834 1.00 1.68 H new ATOM 0 HE2 MET A 72 -7.082 -3.591 8.921 1.00 1.68 H new ATOM 0 HE3 MET A 72 -6.722 -4.442 7.400 1.00 1.68 H new ATOM 1060 N THR A 73 -8.765 -1.315 2.984 1.00 0.21 N ATOM 1061 CA THR A 73 -9.577 -1.864 1.923 1.00 0.19 C ATOM 1062 C THR A 73 -8.797 -2.955 1.207 1.00 0.18 C ATOM 1063 O THR A 73 -7.568 -3.007 1.294 1.00 0.19 O ATOM 1064 CB THR A 73 -10.000 -0.772 0.916 1.00 0.21 C ATOM 1065 OG1 THR A 73 -10.986 -1.288 0.008 1.00 0.26 O ATOM 1066 CG2 THR A 73 -8.802 -0.263 0.127 1.00 0.22 C ATOM 0 H THR A 73 -8.028 -0.688 2.660 1.00 0.21 H new ATOM 0 HA THR A 73 -10.483 -2.282 2.362 1.00 0.19 H new ATOM 0 HB THR A 73 -10.425 0.058 1.481 1.00 0.21 H new ATOM 0 HG1 THR A 73 -11.248 -0.586 -0.624 1.00 0.26 H new ATOM 0 HG21 THR A 73 -9.128 0.505 -0.575 1.00 0.22 H new ATOM 0 HG22 THR A 73 -8.068 0.160 0.813 1.00 0.22 H new ATOM 0 HG23 THR A 73 -8.351 -1.089 -0.423 1.00 0.22 H new ATOM 1074 N SER A 74 -9.501 -3.827 0.512 1.00 0.27 N ATOM 1075 CA SER A 74 -8.857 -4.884 -0.218 1.00 0.30 C ATOM 1076 C SER A 74 -8.640 -4.457 -1.660 1.00 0.35 C ATOM 1077 O SER A 74 -9.529 -3.890 -2.295 1.00 0.47 O ATOM 1078 CB SER A 74 -9.678 -6.161 -0.161 1.00 0.37 C ATOM 1079 OG SER A 74 -8.922 -7.281 -0.591 1.00 1.25 O ATOM 0 H SER A 74 -10.519 -3.819 0.442 1.00 0.27 H new ATOM 0 HA SER A 74 -7.890 -5.085 0.243 1.00 0.30 H new ATOM 0 HB2 SER A 74 -10.028 -6.326 0.858 1.00 0.37 H new ATOM 0 HB3 SER A 74 -10.563 -6.055 -0.788 1.00 0.37 H new ATOM 0 HG SER A 74 -9.476 -8.088 -0.542 1.00 1.25 H new ATOM 1085 N CYS A 75 -7.444 -4.709 -2.141 1.00 0.30 N ATOM 1086 CA CYS A 75 -7.050 -4.382 -3.512 1.00 0.35 C ATOM 1087 C CYS A 75 -5.822 -5.190 -3.895 1.00 0.33 C ATOM 1088 O CYS A 75 -4.881 -5.299 -3.113 1.00 0.43 O ATOM 1089 CB CYS A 75 -6.776 -2.883 -3.648 1.00 0.39 C ATOM 1090 SG CYS A 75 -6.265 -2.365 -5.303 1.00 1.40 S ATOM 0 H CYS A 75 -6.704 -5.150 -1.595 1.00 0.30 H new ATOM 0 HA CYS A 75 -7.866 -4.637 -4.189 1.00 0.35 H new ATOM 0 HB2 CYS A 75 -7.676 -2.335 -3.371 1.00 0.39 H new ATOM 0 HB3 CYS A 75 -6.000 -2.602 -2.936 1.00 0.39 H new ATOM 0 HG CYS A 75 -6.061 -1.081 -5.312 1.00 1.40 H new ATOM 1096 N ARG A 76 -5.835 -5.743 -5.101 1.00 0.27 N ATOM 1097 CA ARG A 76 -4.871 -6.766 -5.490 1.00 0.26 C ATOM 1098 C ARG A 76 -3.440 -6.264 -5.455 1.00 0.22 C ATOM 1099 O ARG A 76 -3.076 -5.306 -6.133 1.00 0.25 O ATOM 1100 CB ARG A 76 -5.205 -7.356 -6.846 1.00 0.33 C ATOM 1101 CG ARG A 76 -6.275 -8.410 -6.743 1.00 0.39 C ATOM 1102 CD ARG A 76 -7.588 -7.791 -6.381 1.00 0.79 C ATOM 1103 NE ARG A 76 -8.237 -7.143 -7.523 1.00 1.01 N ATOM 1104 CZ ARG A 76 -9.508 -7.329 -7.872 1.00 1.61 C ATOM 1105 NH1 ARG A 76 -10.279 -8.183 -7.208 1.00 2.21 N ATOM 1106 NH2 ARG A 76 -10.010 -6.661 -8.898 1.00 1.87 N ATOM 0 H ARG A 76 -6.505 -5.499 -5.830 1.00 0.27 H new ATOM 0 HA ARG A 76 -4.947 -7.558 -4.745 1.00 0.26 H new ATOM 0 HB2 ARG A 76 -5.537 -6.563 -7.516 1.00 0.33 H new ATOM 0 HB3 ARG A 76 -4.307 -7.790 -7.286 1.00 0.33 H new ATOM 0 HG2 ARG A 76 -6.365 -8.939 -7.692 1.00 0.39 H new ATOM 0 HG3 ARG A 76 -5.995 -9.148 -5.992 1.00 0.39 H new ATOM 0 HD2 ARG A 76 -8.249 -8.559 -5.979 1.00 0.79 H new ATOM 0 HD3 ARG A 76 -7.434 -7.057 -5.590 1.00 0.79 H new ATOM 0 HE ARG A 76 -7.677 -6.506 -8.089 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -9.899 -8.706 -6.419 1.00 2.21 H new ATOM 0 HH12 ARG A 76 -11.251 -8.315 -7.487 1.00 2.21 H new ATOM 0 HH21 ARG A 76 -9.424 -6.007 -9.417 1.00 1.87 H new ATOM 0 HH22 ARG A 76 -10.983 -6.800 -9.170 1.00 1.87 H new ATOM 1120 N GLY A 77 -2.661 -6.904 -4.609 1.00 0.19 N ATOM 1121 CA GLY A 77 -1.274 -6.563 -4.428 1.00 0.19 C ATOM 1122 C GLY A 77 -0.878 -6.859 -3.013 1.00 0.24 C ATOM 1123 O GLY A 77 -1.372 -6.212 -2.101 1.00 0.59 O ATOM 0 H GLY A 77 -2.978 -7.679 -4.026 1.00 0.19 H new ATOM 0 HA2 GLY A 77 -0.653 -7.133 -5.119 1.00 0.19 H new ATOM 0 HA3 GLY A 77 -1.114 -5.508 -4.651 1.00 0.19 H new ATOM 1127 N SER A 78 -0.046 -7.851 -2.803 1.00 0.20 N ATOM 1128 CA SER A 78 0.368 -8.192 -1.453 1.00 0.17 C ATOM 1129 C SER A 78 1.580 -9.078 -1.439 1.00 0.20 C ATOM 1130 O SER A 78 1.729 -9.964 -2.267 1.00 0.26 O ATOM 1131 CB SER A 78 -0.781 -8.865 -0.701 1.00 0.20 C ATOM 1132 OG SER A 78 -1.634 -7.908 -0.102 1.00 0.73 O ATOM 0 H SER A 78 0.357 -8.434 -3.537 1.00 0.20 H new ATOM 0 HA SER A 78 0.636 -7.262 -0.952 1.00 0.17 H new ATOM 0 HB2 SER A 78 -1.354 -9.486 -1.389 1.00 0.20 H new ATOM 0 HB3 SER A 78 -0.378 -9.527 0.066 1.00 0.20 H new ATOM 0 HG SER A 78 -1.657 -7.099 -0.655 1.00 0.73 H new ATOM 1138 N VAL A 79 2.437 -8.820 -0.470 1.00 0.18 N ATOM 1139 CA VAL A 79 3.699 -9.505 -0.356 1.00 0.20 C ATOM 1140 C VAL A 79 3.499 -10.998 -0.105 1.00 0.27 C ATOM 1141 O VAL A 79 3.079 -11.409 0.977 1.00 0.33 O ATOM 1142 CB VAL A 79 4.545 -8.872 0.762 1.00 0.23 C ATOM 1143 CG1 VAL A 79 5.808 -9.678 1.025 1.00 0.31 C ATOM 1144 CG2 VAL A 79 4.898 -7.447 0.386 1.00 0.25 C ATOM 0 H VAL A 79 2.272 -8.127 0.260 1.00 0.18 H new ATOM 0 HA VAL A 79 4.231 -9.399 -1.301 1.00 0.20 H new ATOM 0 HB VAL A 79 3.957 -8.871 1.680 1.00 0.23 H new ATOM 0 HG11 VAL A 79 6.383 -9.204 1.820 1.00 0.31 H new ATOM 0 HG12 VAL A 79 5.538 -10.690 1.327 1.00 0.31 H new ATOM 0 HG13 VAL A 79 6.409 -9.719 0.117 1.00 0.31 H new ATOM 0 HG21 VAL A 79 5.497 -6.999 1.179 1.00 0.25 H new ATOM 0 HG22 VAL A 79 5.467 -7.446 -0.544 1.00 0.25 H new ATOM 0 HG23 VAL A 79 3.984 -6.869 0.252 1.00 0.25 H new ATOM 1154 N SER A 80 3.776 -11.798 -1.126 1.00 0.33 N ATOM 1155 CA SER A 80 3.640 -13.240 -1.032 1.00 0.41 C ATOM 1156 C SER A 80 4.872 -13.833 -0.360 1.00 0.43 C ATOM 1157 O SER A 80 5.853 -14.174 -1.026 1.00 0.97 O ATOM 1158 CB SER A 80 3.448 -13.837 -2.419 1.00 0.48 C ATOM 1159 OG SER A 80 3.240 -15.239 -2.363 1.00 0.96 O ATOM 0 H SER A 80 4.099 -11.466 -2.035 1.00 0.33 H new ATOM 0 HA SER A 80 2.764 -13.479 -0.429 1.00 0.41 H new ATOM 0 HB2 SER A 80 2.596 -13.362 -2.905 1.00 0.48 H new ATOM 0 HB3 SER A 80 4.324 -13.623 -3.032 1.00 0.48 H new ATOM 0 HG SER A 80 3.119 -15.588 -3.271 1.00 0.96 H new ATOM 1165 N GLY A 81 4.825 -13.944 0.958 1.00 0.56 N ATOM 1166 CA GLY A 81 5.982 -14.397 1.695 1.00 0.58 C ATOM 1167 C GLY A 81 6.805 -13.241 2.188 1.00 0.56 C ATOM 1168 O GLY A 81 6.273 -12.202 2.565 1.00 0.86 O ATOM 0 H GLY A 81 4.007 -13.729 1.529 1.00 0.56 H new ATOM 0 HA2 GLY A 81 5.661 -15.004 2.541 1.00 0.58 H new ATOM 0 HA3 GLY A 81 6.594 -15.036 1.058 1.00 0.58 H new ATOM 1172 N PRO A 82 8.110 -13.430 2.239 1.00 0.46 N ATOM 1173 CA PRO A 82 9.068 -12.366 2.523 1.00 0.41 C ATOM 1174 C PRO A 82 9.255 -11.391 1.362 1.00 0.41 C ATOM 1175 O PRO A 82 9.243 -11.779 0.190 1.00 0.57 O ATOM 1176 CB PRO A 82 10.354 -13.125 2.769 1.00 0.48 C ATOM 1177 CG PRO A 82 10.199 -14.374 1.984 1.00 0.61 C ATOM 1178 CD PRO A 82 8.757 -14.733 2.075 1.00 0.70 C ATOM 0 HA PRO A 82 8.736 -11.744 3.355 1.00 0.41 H new ATOM 0 HB2 PRO A 82 11.222 -12.554 2.440 1.00 0.48 H new ATOM 0 HB3 PRO A 82 10.494 -13.336 3.829 1.00 0.48 H new ATOM 0 HG2 PRO A 82 10.500 -14.224 0.947 1.00 0.61 H new ATOM 0 HG3 PRO A 82 10.826 -15.169 2.386 1.00 0.61 H new ATOM 0 HD2 PRO A 82 8.410 -15.247 1.178 1.00 0.70 H new ATOM 0 HD3 PRO A 82 8.557 -15.393 2.919 1.00 0.70 H new ATOM 1186 N SER A 83 9.415 -10.120 1.693 1.00 0.36 N ATOM 1187 CA SER A 83 9.737 -9.107 0.708 1.00 0.37 C ATOM 1188 C SER A 83 11.119 -8.522 0.976 1.00 0.35 C ATOM 1189 O SER A 83 11.501 -8.293 2.126 1.00 0.45 O ATOM 1190 CB SER A 83 8.684 -8.004 0.724 1.00 0.44 C ATOM 1191 OG SER A 83 8.400 -7.570 2.040 1.00 1.45 O ATOM 0 H SER A 83 9.326 -9.766 2.645 1.00 0.36 H new ATOM 0 HA SER A 83 9.744 -9.572 -0.278 1.00 0.37 H new ATOM 0 HB2 SER A 83 9.033 -7.159 0.130 1.00 0.44 H new ATOM 0 HB3 SER A 83 7.769 -8.367 0.255 1.00 0.44 H new ATOM 0 HG SER A 83 7.984 -6.683 2.009 1.00 1.45 H new ATOM 1197 N THR A 84 11.864 -8.283 -0.088 1.00 0.33 N ATOM 1198 CA THR A 84 13.216 -7.768 0.022 1.00 0.34 C ATOM 1199 C THR A 84 13.266 -6.289 -0.324 1.00 0.23 C ATOM 1200 O THR A 84 13.691 -5.464 0.483 1.00 0.21 O ATOM 1201 CB THR A 84 14.166 -8.537 -0.906 1.00 0.46 C ATOM 1202 OG1 THR A 84 13.415 -9.457 -1.718 1.00 0.91 O ATOM 1203 CG2 THR A 84 15.208 -9.290 -0.093 1.00 0.67 C ATOM 0 H THR A 84 11.551 -8.439 -1.046 1.00 0.33 H new ATOM 0 HA THR A 84 13.535 -7.901 1.056 1.00 0.34 H new ATOM 0 HB THR A 84 14.679 -7.825 -1.552 1.00 0.46 H new ATOM 0 HG1 THR A 84 12.732 -8.967 -2.222 1.00 0.91 H new ATOM 0 HG21 THR A 84 15.874 -9.830 -0.766 1.00 0.67 H new ATOM 0 HG22 THR A 84 15.787 -8.583 0.500 1.00 0.67 H new ATOM 0 HG23 THR A 84 14.710 -9.998 0.570 1.00 0.67 H new ATOM 1211 N SER A 85 12.798 -5.959 -1.513 1.00 0.21 N ATOM 1212 CA SER A 85 12.810 -4.589 -1.990 1.00 0.25 C ATOM 1213 C SER A 85 11.677 -3.802 -1.339 1.00 0.29 C ATOM 1214 O SER A 85 10.592 -3.663 -1.908 1.00 0.61 O ATOM 1215 CB SER A 85 12.680 -4.588 -3.516 1.00 0.50 C ATOM 1216 OG SER A 85 13.628 -5.471 -4.096 1.00 1.76 O ATOM 0 H SER A 85 12.401 -6.629 -2.172 1.00 0.21 H new ATOM 0 HA SER A 85 13.750 -4.108 -1.719 1.00 0.25 H new ATOM 0 HB2 SER A 85 11.672 -4.889 -3.801 1.00 0.50 H new ATOM 0 HB3 SER A 85 12.832 -3.579 -3.899 1.00 0.50 H new ATOM 0 HG SER A 85 13.159 -6.196 -4.560 1.00 1.76 H new ATOM 1222 N HIS A 86 11.929 -3.286 -0.141 1.00 0.19 N ATOM 1223 CA HIS A 86 10.877 -2.651 0.632 1.00 0.20 C ATOM 1224 C HIS A 86 11.426 -1.631 1.626 1.00 0.20 C ATOM 1225 O HIS A 86 12.611 -1.650 1.964 1.00 0.25 O ATOM 1226 CB HIS A 86 10.062 -3.710 1.382 1.00 0.26 C ATOM 1227 CG HIS A 86 10.762 -4.317 2.570 1.00 0.27 C ATOM 1228 ND1 HIS A 86 11.899 -5.092 2.475 1.00 0.29 N ATOM 1229 CD2 HIS A 86 10.478 -4.240 3.892 1.00 0.50 C ATOM 1230 CE1 HIS A 86 12.277 -5.466 3.683 1.00 0.30 C ATOM 1231 NE2 HIS A 86 11.435 -4.961 4.564 1.00 0.44 N ATOM 0 H HIS A 86 12.844 -3.296 0.309 1.00 0.19 H new ATOM 0 HA HIS A 86 10.238 -2.118 -0.072 1.00 0.20 H new ATOM 0 HB2 HIS A 86 9.128 -3.259 1.719 1.00 0.26 H new ATOM 0 HB3 HIS A 86 9.799 -4.507 0.686 1.00 0.26 H new ATOM 0 HD1 HIS A 86 12.374 -5.338 1.606 1.00 0.29 H new ATOM 0 HD2 HIS A 86 9.650 -3.708 4.337 1.00 0.50 H new ATOM 0 HE1 HIS A 86 13.133 -6.083 3.912 1.00 0.30 H new ATOM 1240 N LEU A 87 10.536 -0.761 2.097 1.00 0.19 N ATOM 1241 CA LEU A 87 10.865 0.231 3.115 1.00 0.19 C ATOM 1242 C LEU A 87 9.766 0.288 4.164 1.00 0.18 C ATOM 1243 O LEU A 87 8.622 0.595 3.842 1.00 0.18 O ATOM 1244 CB LEU A 87 11.018 1.624 2.495 1.00 0.21 C ATOM 1245 CG LEU A 87 12.165 1.777 1.498 1.00 0.23 C ATOM 1246 CD1 LEU A 87 11.646 1.652 0.078 1.00 0.38 C ATOM 1247 CD2 LEU A 87 12.880 3.100 1.708 1.00 0.58 C ATOM 0 H LEU A 87 9.566 -0.725 1.783 1.00 0.19 H new ATOM 0 HA LEU A 87 11.808 -0.065 3.573 1.00 0.19 H new ATOM 0 HB2 LEU A 87 10.086 1.884 1.993 1.00 0.21 H new ATOM 0 HB3 LEU A 87 11.159 2.347 3.299 1.00 0.21 H new ATOM 0 HG LEU A 87 12.887 0.978 1.666 1.00 0.23 H new ATOM 0 HD11 LEU A 87 12.473 1.763 -0.623 1.00 0.38 H new ATOM 0 HD12 LEU A 87 11.185 0.673 -0.056 1.00 0.38 H new ATOM 0 HD13 LEU A 87 10.906 2.430 -0.109 1.00 0.38 H new ATOM 0 HD21 LEU A 87 13.694 3.192 0.989 1.00 0.58 H new ATOM 0 HD22 LEU A 87 12.176 3.920 1.566 1.00 0.58 H new ATOM 0 HD23 LEU A 87 13.283 3.139 2.720 1.00 0.58 H new ATOM 1259 N THR A 88 10.095 -0.013 5.407 1.00 0.17 N ATOM 1260 CA THR A 88 9.122 0.096 6.482 1.00 0.15 C ATOM 1261 C THR A 88 8.926 1.548 6.871 1.00 0.18 C ATOM 1262 O THR A 88 9.653 2.087 7.709 1.00 0.22 O ATOM 1263 CB THR A 88 9.541 -0.700 7.729 1.00 0.17 C ATOM 1264 OG1 THR A 88 9.981 -2.011 7.354 1.00 0.21 O ATOM 1265 CG2 THR A 88 8.394 -0.813 8.719 1.00 0.18 C ATOM 0 H THR A 88 11.019 -0.332 5.697 1.00 0.17 H new ATOM 0 HA THR A 88 8.189 -0.323 6.105 1.00 0.15 H new ATOM 0 HB THR A 88 10.360 -0.164 8.208 1.00 0.17 H new ATOM 0 HG1 THR A 88 10.247 -2.508 8.155 1.00 0.21 H new ATOM 0 HG21 THR A 88 8.720 -1.381 9.590 1.00 0.18 H new ATOM 0 HG22 THR A 88 8.083 0.184 9.031 1.00 0.18 H new ATOM 0 HG23 THR A 88 7.555 -1.323 8.247 1.00 0.18 H new ATOM 1273 N ARG A 89 7.953 2.194 6.250 1.00 0.19 N ATOM 1274 CA ARG A 89 7.575 3.528 6.665 1.00 0.25 C ATOM 1275 C ARG A 89 6.092 3.551 7.023 1.00 0.20 C ATOM 1276 O ARG A 89 5.313 4.270 6.414 1.00 0.24 O ATOM 1277 CB ARG A 89 7.837 4.500 5.512 1.00 0.38 C ATOM 1278 CG ARG A 89 9.233 4.407 4.921 1.00 0.33 C ATOM 1279 CD ARG A 89 10.245 5.170 5.755 1.00 1.12 C ATOM 1280 NE ARG A 89 11.508 5.394 5.051 1.00 1.99 N ATOM 1281 CZ ARG A 89 12.663 5.657 5.666 1.00 2.70 C ATOM 1282 NH1 ARG A 89 12.746 5.590 6.989 1.00 2.77 N ATOM 1283 NH2 ARG A 89 13.743 5.961 4.960 1.00 3.65 N ATOM 0 H ARG A 89 7.418 1.819 5.466 1.00 0.19 H new ATOM 0 HA ARG A 89 8.159 3.822 7.537 1.00 0.25 H new ATOM 0 HB2 ARG A 89 7.108 4.314 4.723 1.00 0.38 H new ATOM 0 HB3 ARG A 89 7.672 5.518 5.866 1.00 0.38 H new ATOM 0 HG2 ARG A 89 9.531 3.361 4.854 1.00 0.33 H new ATOM 0 HG3 ARG A 89 9.226 4.802 3.905 1.00 0.33 H new ATOM 0 HD2 ARG A 89 9.820 6.131 6.044 1.00 1.12 H new ATOM 0 HD3 ARG A 89 10.440 4.619 6.675 1.00 1.12 H new ATOM 0 HE ARG A 89 11.506 5.346 4.032 1.00 1.99 H new ATOM 0 HH11 ARG A 89 11.925 5.337 7.539 1.00 2.77 H new ATOM 0 HH12 ARG A 89 13.630 5.792 7.455 1.00 2.77 H new ATOM 0 HH21 ARG A 89 13.694 5.995 3.942 1.00 3.65 H new ATOM 0 HH22 ARG A 89 14.623 6.161 5.435 1.00 3.65 H new ATOM 1297 N PRO A 90 5.697 2.844 8.089 1.00 0.15 N ATOM 1298 CA PRO A 90 4.295 2.747 8.478 1.00 0.14 C ATOM 1299 C PRO A 90 3.833 4.009 9.184 1.00 0.16 C ATOM 1300 O PRO A 90 2.659 4.379 9.127 1.00 0.25 O ATOM 1301 CB PRO A 90 4.245 1.514 9.398 1.00 0.13 C ATOM 1302 CG PRO A 90 5.631 0.949 9.422 1.00 0.14 C ATOM 1303 CD PRO A 90 6.554 2.028 8.944 1.00 0.15 C ATOM 0 HA PRO A 90 3.625 2.643 7.624 1.00 0.14 H new ATOM 0 HB2 PRO A 90 3.921 1.791 10.401 1.00 0.13 H new ATOM 0 HB3 PRO A 90 3.532 0.779 9.024 1.00 0.13 H new ATOM 0 HG2 PRO A 90 5.900 0.630 10.429 1.00 0.14 H new ATOM 0 HG3 PRO A 90 5.700 0.071 8.780 1.00 0.14 H new ATOM 0 HD2 PRO A 90 6.963 2.605 9.773 1.00 0.15 H new ATOM 0 HD3 PRO A 90 7.401 1.619 8.393 1.00 0.15 H new ATOM 1311 N SER A 91 4.784 4.683 9.808 1.00 0.16 N ATOM 1312 CA SER A 91 4.551 5.975 10.423 1.00 0.18 C ATOM 1313 C SER A 91 4.307 7.025 9.346 1.00 0.21 C ATOM 1314 O SER A 91 3.595 8.006 9.557 1.00 0.33 O ATOM 1315 CB SER A 91 5.781 6.360 11.236 1.00 0.27 C ATOM 1316 OG SER A 91 6.308 5.229 11.909 1.00 1.21 O ATOM 0 H SER A 91 5.742 4.347 9.902 1.00 0.16 H new ATOM 0 HA SER A 91 3.676 5.920 11.070 1.00 0.18 H new ATOM 0 HB2 SER A 91 6.540 6.785 10.579 1.00 0.27 H new ATOM 0 HB3 SER A 91 5.518 7.131 11.960 1.00 0.27 H new ATOM 0 HG SER A 91 7.098 5.494 12.425 1.00 1.21 H new ATOM 1322 N GLU A 92 4.905 6.797 8.185 1.00 0.17 N ATOM 1323 CA GLU A 92 4.853 7.751 7.093 1.00 0.20 C ATOM 1324 C GLU A 92 3.667 7.488 6.169 1.00 0.21 C ATOM 1325 O GLU A 92 3.021 8.426 5.713 1.00 0.33 O ATOM 1326 CB GLU A 92 6.164 7.717 6.316 1.00 0.30 C ATOM 1327 CG GLU A 92 7.066 8.907 6.602 1.00 0.99 C ATOM 1328 CD GLU A 92 6.438 10.225 6.194 1.00 1.98 C ATOM 1329 OE1 GLU A 92 5.679 10.804 6.998 1.00 2.37 O ATOM 1330 OE2 GLU A 92 6.706 10.692 5.066 1.00 2.78 O ATOM 0 H GLU A 92 5.436 5.951 7.977 1.00 0.17 H new ATOM 0 HA GLU A 92 4.714 8.746 7.516 1.00 0.20 H new ATOM 0 HB2 GLU A 92 6.698 6.799 6.559 1.00 0.30 H new ATOM 0 HB3 GLU A 92 5.945 7.685 5.249 1.00 0.30 H new ATOM 0 HG2 GLU A 92 7.299 8.934 7.666 1.00 0.99 H new ATOM 0 HG3 GLU A 92 8.010 8.779 6.072 1.00 0.99 H new ATOM 1337 N LEU A 93 3.378 6.220 5.893 1.00 0.17 N ATOM 1338 CA LEU A 93 2.205 5.880 5.092 1.00 0.18 C ATOM 1339 C LEU A 93 0.931 6.346 5.791 1.00 0.17 C ATOM 1340 O LEU A 93 0.114 7.052 5.212 1.00 0.19 O ATOM 1341 CB LEU A 93 2.121 4.372 4.816 1.00 0.19 C ATOM 1342 CG LEU A 93 2.862 3.848 3.570 1.00 0.21 C ATOM 1343 CD1 LEU A 93 2.581 4.725 2.370 1.00 0.15 C ATOM 1344 CD2 LEU A 93 4.357 3.752 3.793 1.00 0.33 C ATOM 0 H LEU A 93 3.930 5.421 6.206 1.00 0.17 H new ATOM 0 HA LEU A 93 2.305 6.394 4.136 1.00 0.18 H new ATOM 0 HB2 LEU A 93 2.509 3.846 5.688 1.00 0.19 H new ATOM 0 HB3 LEU A 93 1.069 4.102 4.723 1.00 0.19 H new ATOM 0 HG LEU A 93 2.486 2.843 3.380 1.00 0.21 H new ATOM 0 HD11 LEU A 93 3.114 4.336 1.502 1.00 0.15 H new ATOM 0 HD12 LEU A 93 1.510 4.730 2.166 1.00 0.15 H new ATOM 0 HD13 LEU A 93 2.916 5.742 2.576 1.00 0.15 H new ATOM 0 HD21 LEU A 93 4.837 3.378 2.888 1.00 0.33 H new ATOM 0 HD22 LEU A 93 4.753 4.739 4.033 1.00 0.33 H new ATOM 0 HD23 LEU A 93 4.559 3.070 4.619 1.00 0.33 H new ATOM 1356 N GLN A 94 0.793 6.009 7.061 1.00 0.16 N ATOM 1357 CA GLN A 94 -0.429 6.325 7.791 1.00 0.18 C ATOM 1358 C GLN A 94 -0.517 7.829 8.007 1.00 0.18 C ATOM 1359 O GLN A 94 -1.584 8.380 8.256 1.00 0.20 O ATOM 1360 CB GLN A 94 -0.467 5.571 9.121 1.00 0.17 C ATOM 1361 CG GLN A 94 -1.739 4.757 9.306 1.00 0.36 C ATOM 1362 CD GLN A 94 -2.989 5.615 9.402 1.00 0.67 C ATOM 1363 OE1 GLN A 94 -4.066 5.156 8.788 1.00 1.81 O flip ATOM 1364 NE2 GLN A 94 -2.974 6.697 9.981 1.00 0.34 N flip ATOM 0 H GLN A 94 1.503 5.521 7.607 1.00 0.16 H new ATOM 0 HA GLN A 94 -1.293 6.007 7.207 1.00 0.18 H new ATOM 0 HB2 GLN A 94 0.395 4.907 9.181 1.00 0.17 H new ATOM 0 HB3 GLN A 94 -0.376 6.285 9.940 1.00 0.17 H new ATOM 0 HG2 GLN A 94 -1.844 4.065 8.471 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -1.649 4.155 10.210 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -2.123 7.016 10.443 1.00 0.34 H new ATOM 0 HE22 GLN A 94 -3.813 7.277 10.000 1.00 0.34 H new ATOM 1373 N ALA A 95 0.619 8.483 7.855 1.00 0.18 N ATOM 1374 CA ALA A 95 0.697 9.924 7.949 1.00 0.19 C ATOM 1375 C ALA A 95 -0.006 10.579 6.786 1.00 0.15 C ATOM 1376 O ALA A 95 -0.753 11.524 6.971 1.00 0.18 O ATOM 1377 CB ALA A 95 2.130 10.369 7.965 1.00 0.21 C ATOM 0 H ALA A 95 1.512 8.028 7.663 1.00 0.18 H new ATOM 0 HA ALA A 95 0.208 10.223 8.876 1.00 0.19 H new ATOM 0 HB1 ALA A 95 2.173 11.456 8.036 1.00 0.21 H new ATOM 0 HB2 ALA A 95 2.638 9.929 8.823 1.00 0.21 H new ATOM 0 HB3 ALA A 95 2.622 10.046 7.047 1.00 0.21 H new ATOM 1383 N VAL A 96 0.238 10.078 5.580 1.00 0.11 N ATOM 1384 CA VAL A 96 -0.390 10.636 4.403 1.00 0.12 C ATOM 1385 C VAL A 96 -1.824 10.153 4.334 1.00 0.11 C ATOM 1386 O VAL A 96 -2.667 10.799 3.752 1.00 0.11 O ATOM 1387 CB VAL A 96 0.358 10.327 3.072 1.00 0.14 C ATOM 1388 CG1 VAL A 96 1.479 9.336 3.283 1.00 0.19 C ATOM 1389 CG2 VAL A 96 -0.595 9.800 2.015 1.00 0.16 C ATOM 0 H VAL A 96 0.863 9.292 5.399 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.351 11.720 4.506 1.00 0.12 H new ATOM 0 HB VAL A 96 0.786 11.267 2.724 1.00 0.14 H new ATOM 0 HG11 VAL A 96 1.979 9.144 2.333 1.00 0.19 H new ATOM 0 HG12 VAL A 96 2.197 9.744 3.995 1.00 0.19 H new ATOM 0 HG13 VAL A 96 1.072 8.403 3.674 1.00 0.19 H new ATOM 0 HG21 VAL A 96 -0.043 9.594 1.098 1.00 0.16 H new ATOM 0 HG22 VAL A 96 -1.062 8.882 2.372 1.00 0.16 H new ATOM 0 HG23 VAL A 96 -1.365 10.545 1.815 1.00 0.16 H new ATOM 1399 N ILE A 97 -2.103 9.022 4.954 1.00 0.11 N ATOM 1400 CA ILE A 97 -3.472 8.608 5.121 1.00 0.11 C ATOM 1401 C ILE A 97 -4.178 9.675 5.920 1.00 0.12 C ATOM 1402 O ILE A 97 -5.086 10.330 5.433 1.00 0.13 O ATOM 1403 CB ILE A 97 -3.562 7.252 5.829 1.00 0.11 C ATOM 1404 CG1 ILE A 97 -3.278 6.135 4.838 1.00 0.12 C ATOM 1405 CG2 ILE A 97 -4.922 7.057 6.469 1.00 0.12 C ATOM 1406 CD1 ILE A 97 -2.587 4.952 5.459 1.00 0.16 C ATOM 0 H ILE A 97 -1.407 8.386 5.343 1.00 0.11 H new ATOM 0 HA ILE A 97 -3.944 8.486 4.146 1.00 0.11 H new ATOM 0 HB ILE A 97 -2.815 7.227 6.622 1.00 0.11 H new ATOM 0 HG12 ILE A 97 -4.217 5.806 4.392 1.00 0.12 H new ATOM 0 HG13 ILE A 97 -2.660 6.525 4.029 1.00 0.12 H new ATOM 0 HG21 ILE A 97 -4.956 6.086 6.964 1.00 0.12 H new ATOM 0 HG22 ILE A 97 -5.095 7.844 7.203 1.00 0.12 H new ATOM 0 HG23 ILE A 97 -5.695 7.100 5.702 1.00 0.12 H new ATOM 0 HD11 ILE A 97 -2.414 4.191 4.698 1.00 0.16 H new ATOM 0 HD12 ILE A 97 -1.633 5.268 5.880 1.00 0.16 H new ATOM 0 HD13 ILE A 97 -3.213 4.538 6.249 1.00 0.16 H new ATOM 1418 N ASP A 98 -3.687 9.886 7.126 1.00 0.14 N ATOM 1419 CA ASP A 98 -4.188 10.943 7.996 1.00 0.17 C ATOM 1420 C ASP A 98 -4.153 12.315 7.300 1.00 0.17 C ATOM 1421 O ASP A 98 -5.098 13.100 7.401 1.00 0.20 O ATOM 1422 CB ASP A 98 -3.340 10.977 9.268 1.00 0.21 C ATOM 1423 CG ASP A 98 -3.681 12.150 10.162 1.00 0.67 C ATOM 1424 OD1 ASP A 98 -4.686 12.073 10.896 1.00 1.03 O ATOM 1425 OD2 ASP A 98 -2.952 13.163 10.124 1.00 0.98 O ATOM 0 H ASP A 98 -2.932 9.334 7.533 1.00 0.14 H new ATOM 0 HA ASP A 98 -5.228 10.730 8.241 1.00 0.17 H new ATOM 0 HB2 ASP A 98 -3.484 10.049 9.821 1.00 0.21 H new ATOM 0 HB3 ASP A 98 -2.286 11.026 8.996 1.00 0.21 H new ATOM 1430 N SER A 99 -3.067 12.590 6.587 1.00 0.15 N ATOM 1431 CA SER A 99 -2.865 13.883 5.937 1.00 0.16 C ATOM 1432 C SER A 99 -3.729 14.029 4.685 1.00 0.16 C ATOM 1433 O SER A 99 -4.587 14.918 4.613 1.00 0.20 O ATOM 1434 CB SER A 99 -1.385 14.066 5.591 1.00 0.18 C ATOM 1435 OG SER A 99 -1.159 15.256 4.850 1.00 0.70 O ATOM 0 H SER A 99 -2.304 11.928 6.443 1.00 0.15 H new ATOM 0 HA SER A 99 -3.171 14.662 6.635 1.00 0.16 H new ATOM 0 HB2 SER A 99 -0.798 14.093 6.509 1.00 0.18 H new ATOM 0 HB3 SER A 99 -1.038 13.208 5.015 1.00 0.18 H new ATOM 0 HG SER A 99 -0.203 15.340 4.649 1.00 0.70 H new ATOM 1441 N ASP A 100 -3.516 13.151 3.709 1.00 0.14 N ATOM 1442 CA ASP A 100 -4.207 13.226 2.432 1.00 0.16 C ATOM 1443 C ASP A 100 -5.676 12.865 2.550 1.00 0.16 C ATOM 1444 O ASP A 100 -6.421 13.022 1.601 1.00 0.18 O ATOM 1445 CB ASP A 100 -3.529 12.354 1.404 1.00 0.17 C ATOM 1446 CG ASP A 100 -2.776 13.169 0.369 1.00 0.41 C ATOM 1447 OD1 ASP A 100 -3.415 13.952 -0.368 1.00 0.72 O ATOM 1448 OD2 ASP A 100 -1.542 13.005 0.256 1.00 0.57 O ATOM 0 H ASP A 100 -2.862 12.372 3.783 1.00 0.14 H new ATOM 0 HA ASP A 100 -4.155 14.264 2.103 1.00 0.16 H new ATOM 0 HB2 ASP A 100 -2.837 11.676 1.904 1.00 0.17 H new ATOM 0 HB3 ASP A 100 -4.275 11.736 0.905 1.00 0.17 H new ATOM 1453 N LYS A 101 -6.097 12.359 3.697 1.00 0.15 N ATOM 1454 CA LYS A 101 -7.521 12.174 3.957 1.00 0.16 C ATOM 1455 C LYS A 101 -8.278 13.492 3.748 1.00 0.20 C ATOM 1456 O LYS A 101 -9.477 13.507 3.493 1.00 0.22 O ATOM 1457 CB LYS A 101 -7.733 11.683 5.380 1.00 0.16 C ATOM 1458 CG LYS A 101 -8.166 10.233 5.486 1.00 0.17 C ATOM 1459 CD LYS A 101 -7.575 9.580 6.713 1.00 0.17 C ATOM 1460 CE LYS A 101 -8.059 10.248 7.982 1.00 0.26 C ATOM 1461 NZ LYS A 101 -9.465 9.897 8.306 1.00 1.26 N ATOM 0 H LYS A 101 -5.483 12.070 4.458 1.00 0.15 H new ATOM 0 HA LYS A 101 -7.906 11.430 3.259 1.00 0.16 H new ATOM 0 HB2 LYS A 101 -6.806 11.814 5.938 1.00 0.16 H new ATOM 0 HB3 LYS A 101 -8.485 12.310 5.859 1.00 0.16 H new ATOM 0 HG2 LYS A 101 -9.254 10.177 5.528 1.00 0.17 H new ATOM 0 HG3 LYS A 101 -7.853 9.690 4.594 1.00 0.17 H new ATOM 0 HD2 LYS A 101 -7.845 8.524 6.730 1.00 0.17 H new ATOM 0 HD3 LYS A 101 -6.487 9.631 6.666 1.00 0.17 H new ATOM 0 HE2 LYS A 101 -7.414 9.957 8.811 1.00 0.26 H new ATOM 0 HE3 LYS A 101 -7.973 11.329 7.876 1.00 0.26 H new ATOM 0 HZ1 LYS A 101 -9.750 10.379 9.183 1.00 1.26 H new ATOM 0 HZ2 LYS A 101 -10.086 10.198 7.528 1.00 1.26 H new ATOM 0 HZ3 LYS A 101 -9.545 8.868 8.435 1.00 1.26 H new ATOM 1475 N SER A 102 -7.565 14.604 3.862 1.00 0.23 N ATOM 1476 CA SER A 102 -8.136 15.909 3.555 1.00 0.28 C ATOM 1477 C SER A 102 -8.410 16.013 2.051 1.00 0.30 C ATOM 1478 O SER A 102 -9.346 16.685 1.615 1.00 0.38 O ATOM 1479 CB SER A 102 -7.180 17.015 4.007 1.00 0.36 C ATOM 1480 OG SER A 102 -6.796 16.831 5.363 1.00 1.23 O ATOM 0 H SER A 102 -6.591 14.629 4.164 1.00 0.23 H new ATOM 0 HA SER A 102 -9.078 16.027 4.090 1.00 0.28 H new ATOM 0 HB2 SER A 102 -6.295 17.018 3.371 1.00 0.36 H new ATOM 0 HB3 SER A 102 -7.660 17.987 3.889 1.00 0.36 H new ATOM 0 HG SER A 102 -6.042 16.206 5.408 1.00 1.23 H new ATOM 1486 N ASN A 103 -7.591 15.318 1.272 1.00 0.27 N ATOM 1487 CA ASN A 103 -7.751 15.233 -0.176 1.00 0.29 C ATOM 1488 C ASN A 103 -8.820 14.201 -0.511 1.00 0.28 C ATOM 1489 O ASN A 103 -9.691 14.429 -1.354 1.00 0.37 O ATOM 1490 CB ASN A 103 -6.427 14.821 -0.824 1.00 0.33 C ATOM 1491 CG ASN A 103 -6.338 15.191 -2.296 1.00 0.37 C ATOM 1492 OD1 ASN A 103 -7.352 15.337 -2.984 1.00 0.87 O ATOM 1493 ND2 ASN A 103 -5.121 15.324 -2.794 1.00 0.93 N ATOM 0 H ASN A 103 -6.792 14.794 1.628 1.00 0.27 H new ATOM 0 HA ASN A 103 -8.051 16.208 -0.559 1.00 0.29 H new ATOM 0 HB2 ASN A 103 -5.605 15.294 -0.287 1.00 0.33 H new ATOM 0 HB3 ASN A 103 -6.298 13.744 -0.719 1.00 0.33 H new ATOM 0 HD21 ASN A 103 -4.996 15.555 -3.780 1.00 0.93 H new ATOM 0 HD22 ASN A 103 -4.307 15.195 -2.193 1.00 0.93 H new ATOM 1500 N TYR A 104 -8.753 13.070 0.177 1.00 0.21 N ATOM 1501 CA TYR A 104 -9.679 11.976 -0.035 1.00 0.22 C ATOM 1502 C TYR A 104 -10.048 11.383 1.304 1.00 0.21 C ATOM 1503 O TYR A 104 -9.171 10.968 2.045 1.00 0.20 O ATOM 1504 CB TYR A 104 -9.045 10.866 -0.886 1.00 0.23 C ATOM 1505 CG TYR A 104 -7.678 11.189 -1.459 1.00 0.21 C ATOM 1506 CD1 TYR A 104 -6.569 11.272 -0.634 1.00 0.18 C ATOM 1507 CD2 TYR A 104 -7.499 11.432 -2.821 1.00 0.25 C ATOM 1508 CE1 TYR A 104 -5.322 11.585 -1.134 1.00 0.21 C ATOM 1509 CE2 TYR A 104 -6.258 11.747 -3.332 1.00 0.27 C ATOM 1510 CZ TYR A 104 -5.170 11.738 -2.537 1.00 0.22 C ATOM 1511 OH TYR A 104 -3.928 12.138 -2.994 1.00 0.30 O ATOM 0 H TYR A 104 -8.054 12.889 0.897 1.00 0.21 H new ATOM 0 HA TYR A 104 -10.554 12.367 -0.554 1.00 0.22 H new ATOM 0 HB2 TYR A 104 -8.962 9.966 -0.276 1.00 0.23 H new ATOM 0 HB3 TYR A 104 -9.720 10.632 -1.709 1.00 0.23 H new ATOM 0 HD1 TYR A 104 -6.683 11.088 0.424 1.00 0.18 H new ATOM 0 HD2 TYR A 104 -8.347 11.372 -3.487 1.00 0.25 H new ATOM 0 HE1 TYR A 104 -4.478 11.711 -0.471 1.00 0.21 H new ATOM 0 HE2 TYR A 104 -6.157 12.003 -4.376 1.00 0.27 H new ATOM 0 HH TYR A 104 -3.950 12.223 -3.970 1.00 0.30 H new ATOM 1521 N CYS A 105 -11.320 11.408 1.635 1.00 0.28 N ATOM 1522 CA CYS A 105 -11.826 10.707 2.803 1.00 0.31 C ATOM 1523 C CYS A 105 -13.340 10.618 2.784 1.00 0.45 C ATOM 1524 O CYS A 105 -14.033 11.575 2.434 1.00 0.63 O ATOM 1525 CB CYS A 105 -11.324 11.364 4.089 1.00 0.27 C ATOM 1526 SG CYS A 105 -12.318 11.030 5.564 1.00 0.38 S ATOM 0 H CYS A 105 -12.033 11.911 1.107 1.00 0.28 H new ATOM 0 HA CYS A 105 -11.442 9.687 2.773 1.00 0.31 H new ATOM 0 HB2 CYS A 105 -10.303 11.029 4.275 1.00 0.27 H new ATOM 0 HB3 CYS A 105 -11.283 12.442 3.935 1.00 0.27 H new ATOM 0 HG CYS A 105 -12.172 9.786 5.913 1.00 0.38 H new