USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 637 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 64 HIS : no HD1:sc= -2 K(o=-4,f=-7.2!) USER MOD Set 1.2: A 90 MET CE :methyl 160:sc= -2 (180deg=-0.0226) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.7!) USER MOD Single : A 14 THR OG1 : rot 54:sc= 1.21 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 99:sc= 0.585 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -72:sc= -0.332 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0794 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 43 ASN : amide:sc= -0.481 X(o=-0.48,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.372 K(o=-0.37,f=-3.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -158:sc= -0.0293 (180deg=-0.297) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.0428 X(o=0.043,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.25) USER MOD Single : A 81 HIS : no HD1:sc= -1 X(o=-1,f=-0.57) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 140:sc= -1 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 98:sc= 0.807 USER MOD Single : A 93 ASN : amide:sc= 0.0391 X(o=0.039,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -4.229 10.298 5.580 1.00 0.00 N ATOM 91 CA VAL A 7 -4.902 9.789 4.397 1.00 0.00 C ATOM 92 C VAL A 7 -5.070 8.273 4.524 1.00 0.00 C ATOM 93 O VAL A 7 -5.897 7.677 3.836 1.00 0.00 O ATOM 94 CB VAL A 7 -4.133 10.201 3.140 1.00 0.00 C ATOM 95 CG1 VAL A 7 -2.856 9.373 2.982 1.00 0.00 C ATOM 96 CG2 VAL A 7 -5.017 10.089 1.896 1.00 0.00 C ATOM 0 HA VAL A 7 -5.899 10.221 4.309 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.843 11.246 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.329 9.686 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.214 9.525 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.115 8.317 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.447 10.387 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.352 9.058 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.883 10.741 2.005 1.00 0.00 H new ATOM 106 N ASP A 8 -4.274 7.694 5.410 1.00 0.00 N ATOM 107 CA ASP A 8 -4.324 6.260 5.637 1.00 0.00 C ATOM 108 C ASP A 8 -4.335 5.535 4.289 1.00 0.00 C ATOM 109 O ASP A 8 -5.349 4.960 3.898 1.00 0.00 O ATOM 110 CB ASP A 8 -5.593 5.866 6.395 1.00 0.00 C ATOM 111 CG ASP A 8 -5.490 4.570 7.200 1.00 0.00 C ATOM 112 OD1 ASP A 8 -4.579 4.502 8.054 1.00 0.00 O ATOM 113 OD2 ASP A 8 -6.324 3.674 6.944 1.00 0.00 O ATOM 0 H ASP A 8 -3.590 8.192 5.980 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.451 5.981 6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.859 6.677 7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.409 5.768 5.680 1.00 0.00 H new ATOM 118 N CYS A 9 -3.194 5.586 3.617 1.00 0.00 N ATOM 119 CA CYS A 9 -3.059 4.941 2.322 1.00 0.00 C ATOM 120 C CYS A 9 -3.445 3.469 2.476 1.00 0.00 C ATOM 121 O CYS A 9 -4.146 2.915 1.630 1.00 0.00 O ATOM 122 CB CYS A 9 -1.648 5.105 1.753 1.00 0.00 C ATOM 123 SG CYS A 9 -1.321 6.725 0.966 1.00 0.00 S ATOM 0 H CYS A 9 -2.355 6.064 3.945 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.727 5.417 1.604 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.928 4.956 2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.474 4.318 1.019 1.00 0.00 H new ATOM 128 N LYS A 10 -2.970 2.876 3.562 1.00 0.00 N ATOM 129 CA LYS A 10 -3.257 1.478 3.837 1.00 0.00 C ATOM 130 C LYS A 10 -4.762 1.235 3.705 1.00 0.00 C ATOM 131 O LYS A 10 -5.195 0.446 2.866 1.00 0.00 O ATOM 132 CB LYS A 10 -2.686 1.072 5.197 1.00 0.00 C ATOM 133 CG LYS A 10 -1.962 -0.273 5.108 1.00 0.00 C ATOM 134 CD LYS A 10 -1.764 -0.882 6.498 1.00 0.00 C ATOM 135 CE LYS A 10 -2.526 -2.202 6.632 1.00 0.00 C ATOM 136 NZ LYS A 10 -2.321 -2.785 7.977 1.00 0.00 N ATOM 0 H LYS A 10 -2.389 3.338 4.261 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.765 0.837 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.995 1.838 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.491 1.008 5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.536 -0.959 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.994 -0.138 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.702 -1.051 6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.108 -0.181 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.589 -2.034 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.187 -2.903 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.845 -3.680 8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.308 -2.964 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.666 -2.121 8.699 1.00 0.00 H new ATOM 150 N GLY A 11 -5.517 1.928 4.545 1.00 0.00 N ATOM 151 CA GLY A 11 -6.964 1.797 4.532 1.00 0.00 C ATOM 152 C GLY A 11 -7.544 2.252 3.192 1.00 0.00 C ATOM 153 O GLY A 11 -8.357 1.551 2.592 1.00 0.00 O ATOM 0 H GLY A 11 -5.154 2.582 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.240 0.759 4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.394 2.391 5.339 1.00 0.00 H new ATOM 157 N GLN A 12 -7.103 3.425 2.760 1.00 0.00 N ATOM 158 CA GLN A 12 -7.568 3.983 1.502 1.00 0.00 C ATOM 159 C GLN A 12 -7.409 2.959 0.376 1.00 0.00 C ATOM 160 O GLN A 12 -8.221 2.914 -0.547 1.00 0.00 O ATOM 161 CB GLN A 12 -6.829 5.281 1.171 1.00 0.00 C ATOM 162 CG GLN A 12 -7.415 5.942 -0.078 1.00 0.00 C ATOM 163 CD GLN A 12 -7.999 7.317 0.253 1.00 0.00 C ATOM 164 OE1 GLN A 12 -8.320 7.627 1.388 1.00 0.00 O ATOM 165 NE2 GLN A 12 -8.119 8.122 -0.800 1.00 0.00 N ATOM 0 H GLN A 12 -6.428 4.004 3.260 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.627 4.222 1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.896 5.967 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.771 5.071 1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.640 6.045 -0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.192 5.305 -0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.831 7.800 -1.724 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.499 9.061 -0.683 1.00 0.00 H new ATOM 174 N CYS A 13 -6.357 2.161 0.490 1.00 0.00 N ATOM 175 CA CYS A 13 -6.081 1.140 -0.507 1.00 0.00 C ATOM 176 C CYS A 13 -6.780 -0.151 -0.078 1.00 0.00 C ATOM 177 O CYS A 13 -6.122 -1.133 0.264 1.00 0.00 O ATOM 178 CB CYS A 13 -4.578 0.937 -0.706 1.00 0.00 C ATOM 179 SG CYS A 13 -3.696 2.373 -1.420 1.00 0.00 S ATOM 0 H CYS A 13 -5.686 2.201 1.257 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.469 1.457 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.128 0.694 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.425 0.075 -1.356 1.00 0.00 H new ATOM 184 N THR A 14 -8.104 -0.109 -0.110 1.00 0.00 N ATOM 185 CA THR A 14 -8.899 -1.264 0.271 1.00 0.00 C ATOM 186 C THR A 14 -9.336 -2.043 -0.971 1.00 0.00 C ATOM 187 O THR A 14 -9.331 -3.273 -0.969 1.00 0.00 O ATOM 188 CB THR A 14 -10.071 -0.771 1.122 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.517 -0.633 2.428 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.160 -1.832 1.289 1.00 0.00 C ATOM 0 H THR A 14 -8.646 0.707 -0.394 1.00 0.00 H new ATOM 0 HA THR A 14 -8.317 -1.965 0.869 1.00 0.00 H new ATOM 0 HB THR A 14 -10.501 0.121 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.718 -0.067 2.386 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.968 -1.431 1.901 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.550 -2.110 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.739 -2.712 1.775 1.00 0.00 H new ATOM 198 N THR A 15 -9.704 -1.296 -2.001 1.00 0.00 N ATOM 199 CA THR A 15 -10.143 -1.901 -3.246 1.00 0.00 C ATOM 200 C THR A 15 -8.972 -2.598 -3.943 1.00 0.00 C ATOM 201 O THR A 15 -9.105 -3.728 -4.408 1.00 0.00 O ATOM 202 CB THR A 15 -10.795 -0.811 -4.099 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.188 -0.952 -3.836 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.668 -1.086 -5.598 1.00 0.00 C ATOM 0 H THR A 15 -9.707 -0.276 -1.999 1.00 0.00 H new ATOM 0 HA THR A 15 -10.884 -2.680 -3.066 1.00 0.00 H new ATOM 0 HB THR A 15 -10.340 0.152 -3.868 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.687 -0.282 -4.348 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.147 -0.282 -6.157 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.614 -1.139 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.152 -2.033 -5.837 1.00 0.00 H new ATOM 212 N PRO A 16 -7.821 -1.875 -3.993 1.00 0.00 N ATOM 213 CA PRO A 16 -6.627 -2.411 -4.624 1.00 0.00 C ATOM 214 C PRO A 16 -5.965 -3.467 -3.737 1.00 0.00 C ATOM 215 O PRO A 16 -5.074 -4.188 -4.184 1.00 0.00 O ATOM 216 CB PRO A 16 -5.738 -1.204 -4.874 1.00 0.00 C ATOM 217 CG PRO A 16 -6.259 -0.106 -3.960 1.00 0.00 C ATOM 218 CD PRO A 16 -7.626 -0.533 -3.452 1.00 0.00 C ATOM 0 HA PRO A 16 -6.842 -2.931 -5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.696 -1.434 -4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.782 -0.896 -5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.575 0.054 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.330 0.838 -4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.660 -0.537 -2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.406 0.148 -3.793 1.00 0.00 H new ATOM 226 N CYS A 17 -6.427 -3.526 -2.497 1.00 0.00 N ATOM 227 CA CYS A 17 -5.891 -4.483 -1.544 1.00 0.00 C ATOM 228 C CYS A 17 -7.049 -5.322 -1.002 1.00 0.00 C ATOM 229 O CYS A 17 -6.933 -5.937 0.057 1.00 0.00 O ATOM 230 CB CYS A 17 -5.116 -3.789 -0.421 1.00 0.00 C ATOM 231 SG CYS A 17 -3.995 -2.452 -0.975 1.00 0.00 S ATOM 0 H CYS A 17 -7.166 -2.927 -2.130 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.174 -5.134 -2.044 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.829 -3.374 0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.530 -4.537 0.113 1.00 0.00 H new ATOM 236 N GLU A 18 -8.141 -5.321 -1.754 1.00 0.00 N ATOM 237 CA GLU A 18 -9.319 -6.075 -1.363 1.00 0.00 C ATOM 238 C GLU A 18 -9.032 -7.577 -1.420 1.00 0.00 C ATOM 239 O GLU A 18 -9.289 -8.299 -0.458 1.00 0.00 O ATOM 240 CB GLU A 18 -10.519 -5.713 -2.240 1.00 0.00 C ATOM 241 CG GLU A 18 -11.665 -5.151 -1.397 1.00 0.00 C ATOM 242 CD GLU A 18 -12.933 -4.985 -2.237 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.677 -5.984 -2.346 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.130 -3.863 -2.752 1.00 0.00 O ATOM 0 H GLU A 18 -8.234 -4.810 -2.632 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.569 -5.811 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.219 -4.979 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.859 -6.597 -2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.865 -5.818 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.374 -4.188 -0.977 1.00 0.00 H new ATOM 251 N PRO A 19 -8.489 -8.014 -2.588 1.00 0.00 N ATOM 252 CA PRO A 19 -8.164 -9.417 -2.784 1.00 0.00 C ATOM 253 C PRO A 19 -6.899 -9.799 -2.013 1.00 0.00 C ATOM 254 O PRO A 19 -6.843 -10.860 -1.393 1.00 0.00 O ATOM 255 CB PRO A 19 -8.014 -9.579 -4.288 1.00 0.00 C ATOM 256 CG PRO A 19 -7.802 -8.179 -4.840 1.00 0.00 C ATOM 257 CD PRO A 19 -8.171 -7.187 -3.749 1.00 0.00 C ATOM 0 HA PRO A 19 -8.934 -10.085 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.170 -10.225 -4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.902 -10.039 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.765 -8.042 -5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.418 -8.020 -5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.346 -6.507 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.022 -6.573 -4.043 1.00 0.00 H new ATOM 265 N LEU A 20 -5.916 -8.914 -2.075 1.00 0.00 N ATOM 266 CA LEU A 20 -4.655 -9.145 -1.390 1.00 0.00 C ATOM 267 C LEU A 20 -4.929 -9.445 0.085 1.00 0.00 C ATOM 268 O LEU A 20 -4.555 -10.505 0.586 1.00 0.00 O ATOM 269 CB LEU A 20 -3.701 -7.970 -1.612 1.00 0.00 C ATOM 270 CG LEU A 20 -2.705 -7.693 -0.484 1.00 0.00 C ATOM 271 CD1 LEU A 20 -1.540 -8.684 -0.526 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.224 -6.241 -0.522 1.00 0.00 C ATOM 0 H LEU A 20 -5.967 -8.035 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.150 -10.017 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.140 -8.151 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.295 -7.071 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.217 -7.838 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.847 -8.465 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.921 -9.699 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.021 -8.595 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.517 -6.070 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.735 -6.045 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.077 -5.572 -0.407 1.00 0.00 H new ATOM 284 N THR A 21 -5.580 -8.494 0.738 1.00 0.00 N ATOM 285 CA THR A 21 -5.908 -8.644 2.146 1.00 0.00 C ATOM 286 C THR A 21 -6.603 -9.984 2.392 1.00 0.00 C ATOM 287 O THR A 21 -6.193 -10.749 3.264 1.00 0.00 O ATOM 288 CB THR A 21 -6.750 -7.437 2.565 1.00 0.00 C ATOM 289 OG1 THR A 21 -5.824 -6.354 2.577 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.229 -7.533 4.016 1.00 0.00 C ATOM 0 H THR A 21 -5.889 -7.617 0.319 1.00 0.00 H new ATOM 0 HA THR A 21 -5.009 -8.662 2.762 1.00 0.00 H new ATOM 0 HB THR A 21 -7.611 -7.348 1.903 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.901 -5.848 1.741 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.822 -6.652 4.263 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.840 -8.427 4.139 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.367 -7.588 4.681 1.00 0.00 H new ATOM 298 N ALA A 22 -7.643 -10.228 1.608 1.00 0.00 N ATOM 299 CA ALA A 22 -8.398 -11.463 1.731 1.00 0.00 C ATOM 300 C ALA A 22 -7.434 -12.651 1.699 1.00 0.00 C ATOM 301 O ALA A 22 -7.722 -13.704 2.267 1.00 0.00 O ATOM 302 CB ALA A 22 -9.446 -11.533 0.618 1.00 0.00 C ATOM 0 H ALA A 22 -7.980 -9.592 0.886 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.929 -11.495 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.013 -12.459 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.123 -10.683 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.949 -11.506 -0.352 1.00 0.00 H new ATOM 308 N CYS A 23 -6.310 -12.442 1.030 1.00 0.00 N ATOM 309 CA CYS A 23 -5.302 -13.482 0.917 1.00 0.00 C ATOM 310 C CYS A 23 -4.663 -13.683 2.293 1.00 0.00 C ATOM 311 O CYS A 23 -4.803 -14.745 2.898 1.00 0.00 O ATOM 312 CB CYS A 23 -4.260 -13.147 -0.152 1.00 0.00 C ATOM 313 SG CYS A 23 -3.523 -14.600 -0.987 1.00 0.00 S ATOM 0 H CYS A 23 -6.075 -11.567 0.561 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.770 -14.412 0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.724 -12.510 -0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.461 -12.566 0.309 1.00 0.00 H new ATOM 318 N LYS A 24 -3.974 -12.646 2.747 1.00 0.00 N ATOM 319 CA LYS A 24 -3.313 -12.696 4.040 1.00 0.00 C ATOM 320 C LYS A 24 -4.313 -13.156 5.103 1.00 0.00 C ATOM 321 O LYS A 24 -4.017 -14.051 5.893 1.00 0.00 O ATOM 322 CB LYS A 24 -2.655 -11.351 4.357 1.00 0.00 C ATOM 323 CG LYS A 24 -1.223 -11.301 3.818 1.00 0.00 C ATOM 324 CD LYS A 24 -0.866 -9.893 3.340 1.00 0.00 C ATOM 325 CE LYS A 24 0.121 -9.223 4.297 1.00 0.00 C ATOM 326 NZ LYS A 24 0.071 -7.751 4.148 1.00 0.00 N ATOM 0 H LYS A 24 -3.859 -11.767 2.243 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.504 -13.426 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.241 -10.543 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.648 -11.191 5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.527 -11.612 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.116 -12.007 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.432 -9.943 2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.771 -9.290 3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.116 -9.498 5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.131 -9.581 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.747 -7.312 4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.319 -7.492 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.889 -7.413 4.362 1.00 0.00 H new ATOM 340 N GLU A 25 -5.477 -12.523 5.087 1.00 0.00 N ATOM 341 CA GLU A 25 -6.523 -12.856 6.039 1.00 0.00 C ATOM 342 C GLU A 25 -6.774 -14.366 6.046 1.00 0.00 C ATOM 343 O GLU A 25 -6.514 -15.037 7.043 1.00 0.00 O ATOM 344 CB GLU A 25 -7.810 -12.088 5.731 1.00 0.00 C ATOM 345 CG GLU A 25 -8.210 -11.195 6.907 1.00 0.00 C ATOM 346 CD GLU A 25 -9.244 -11.889 7.796 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.238 -12.389 7.226 1.00 0.00 O ATOM 348 OE2 GLU A 25 -9.017 -11.903 9.025 1.00 0.00 O ATOM 0 H GLU A 25 -5.719 -11.781 4.430 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.190 -12.558 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.669 -11.479 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.614 -12.791 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.327 -10.946 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.618 -10.256 6.533 1.00 0.00 H new ATOM 355 N LYS A 26 -7.275 -14.855 4.921 1.00 0.00 N ATOM 356 CA LYS A 26 -7.563 -16.273 4.785 1.00 0.00 C ATOM 357 C LYS A 26 -6.454 -17.081 5.461 1.00 0.00 C ATOM 358 O LYS A 26 -6.731 -18.034 6.188 1.00 0.00 O ATOM 359 CB LYS A 26 -7.781 -16.636 3.315 1.00 0.00 C ATOM 360 CG LYS A 26 -8.670 -17.874 3.182 1.00 0.00 C ATOM 361 CD LYS A 26 -9.635 -17.733 2.003 1.00 0.00 C ATOM 362 CE LYS A 26 -10.314 -19.067 1.687 1.00 0.00 C ATOM 363 NZ LYS A 26 -10.670 -19.140 0.253 1.00 0.00 N ATOM 0 H LYS A 26 -7.489 -14.295 4.096 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.494 -16.524 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.240 -15.796 2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.820 -16.821 2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.049 -18.759 3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.234 -18.021 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.391 -16.982 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.093 -17.380 1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.648 -19.891 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.211 -19.179 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.130 -20.052 0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.322 -18.365 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.809 -19.055 -0.323 1.00 0.00 H new ATOM 377 N CYS A 27 -5.222 -16.672 5.197 1.00 0.00 N ATOM 378 CA CYS A 27 -4.070 -17.346 5.771 1.00 0.00 C ATOM 379 C CYS A 27 -4.070 -17.098 7.280 1.00 0.00 C ATOM 380 O CYS A 27 -3.953 -18.036 8.067 1.00 0.00 O ATOM 381 CB CYS A 27 -2.764 -16.890 5.117 1.00 0.00 C ATOM 382 SG CYS A 27 -2.397 -17.674 3.505 1.00 0.00 S ATOM 0 H CYS A 27 -4.996 -15.882 4.593 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.140 -18.417 5.581 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.801 -15.809 4.979 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.941 -17.096 5.801 1.00 0.00 H new ATOM 387 N ALA A 28 -4.204 -15.830 7.639 1.00 0.00 N ATOM 388 CA ALA A 28 -4.221 -15.446 9.040 1.00 0.00 C ATOM 389 C ALA A 28 -5.169 -16.371 9.806 1.00 0.00 C ATOM 390 O ALA A 28 -4.859 -16.805 10.914 1.00 0.00 O ATOM 391 CB ALA A 28 -4.619 -13.974 9.162 1.00 0.00 C ATOM 0 H ALA A 28 -4.302 -15.055 6.983 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.229 -15.553 9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.632 -13.686 10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.898 -13.357 8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.611 -13.829 8.734 1.00 0.00 H new ATOM 397 N GLU A 29 -6.307 -16.646 9.185 1.00 0.00 N ATOM 398 CA GLU A 29 -7.302 -17.512 9.794 1.00 0.00 C ATOM 399 C GLU A 29 -6.738 -18.922 9.977 1.00 0.00 C ATOM 400 O GLU A 29 -6.803 -19.483 11.070 1.00 0.00 O ATOM 401 CB GLU A 29 -8.587 -17.539 8.964 1.00 0.00 C ATOM 402 CG GLU A 29 -9.485 -16.348 9.304 1.00 0.00 C ATOM 403 CD GLU A 29 -9.921 -16.391 10.771 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.838 -17.186 11.067 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.326 -15.628 11.562 1.00 0.00 O ATOM 0 H GLU A 29 -6.562 -16.284 8.266 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.551 -17.111 10.777 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.339 -17.521 7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.125 -18.469 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.952 -15.418 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.364 -16.355 8.659 1.00 0.00 H new ATOM 412 N SER A 30 -6.198 -19.455 8.891 1.00 0.00 N ATOM 413 CA SER A 30 -5.623 -20.789 8.918 1.00 0.00 C ATOM 414 C SER A 30 -4.463 -20.839 9.914 1.00 0.00 C ATOM 415 O SER A 30 -4.197 -21.881 10.512 1.00 0.00 O ATOM 416 CB SER A 30 -5.148 -21.213 7.527 1.00 0.00 C ATOM 417 OG SER A 30 -5.471 -22.571 7.243 1.00 0.00 O ATOM 0 H SER A 30 -6.147 -18.987 7.986 1.00 0.00 H new ATOM 0 HA SER A 30 -6.396 -21.488 9.236 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.604 -20.567 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.069 -21.074 7.454 1.00 0.00 H new ATOM 0 HG SER A 30 -5.153 -22.802 6.345 1.00 0.00 H new ATOM 423 N CYS A 31 -3.803 -19.699 10.062 1.00 0.00 N ATOM 424 CA CYS A 31 -2.677 -19.600 10.975 1.00 0.00 C ATOM 425 C CYS A 31 -3.171 -18.972 12.280 1.00 0.00 C ATOM 426 O CYS A 31 -2.558 -18.038 12.795 1.00 0.00 O ATOM 427 CB CYS A 31 -1.520 -18.807 10.362 1.00 0.00 C ATOM 428 SG CYS A 31 -0.309 -19.814 9.431 1.00 0.00 S ATOM 0 H CYS A 31 -4.027 -18.837 9.565 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.281 -20.595 11.179 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.931 -18.049 9.695 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.996 -18.280 11.160 1.00 0.00 H new ATOM 433 N GLU A 32 -4.275 -19.510 12.778 1.00 0.00 N ATOM 434 CA GLU A 32 -4.858 -19.014 14.013 1.00 0.00 C ATOM 435 C GLU A 32 -3.763 -18.748 15.047 1.00 0.00 C ATOM 436 O GLU A 32 -3.855 -17.798 15.824 1.00 0.00 O ATOM 437 CB GLU A 32 -5.902 -19.991 14.557 1.00 0.00 C ATOM 438 CG GLU A 32 -7.306 -19.387 14.491 1.00 0.00 C ATOM 439 CD GLU A 32 -8.269 -20.136 15.414 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.202 -19.875 16.635 1.00 0.00 O ATOM 441 OE2 GLU A 32 -9.050 -20.951 14.879 1.00 0.00 O ATOM 0 H GLU A 32 -4.781 -20.285 12.348 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.366 -18.073 13.801 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.873 -20.917 13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.661 -20.249 15.588 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.267 -18.336 14.776 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.675 -19.426 13.466 1.00 0.00 H new ATOM 448 N THR A 33 -2.751 -19.603 15.024 1.00 0.00 N ATOM 449 CA THR A 33 -1.639 -19.472 15.951 1.00 0.00 C ATOM 450 C THR A 33 -0.329 -19.878 15.273 1.00 0.00 C ATOM 451 O THR A 33 0.605 -19.082 15.192 1.00 0.00 O ATOM 452 CB THR A 33 -1.962 -20.301 17.196 1.00 0.00 C ATOM 453 OG1 THR A 33 -1.796 -21.650 16.768 1.00 0.00 O ATOM 454 CG2 THR A 33 -3.437 -20.214 17.591 1.00 0.00 C ATOM 0 H THR A 33 -2.678 -20.389 14.378 1.00 0.00 H new ATOM 0 HA THR A 33 -1.501 -18.436 16.260 1.00 0.00 H new ATOM 0 HB THR A 33 -1.343 -19.963 18.027 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.534 -21.897 16.172 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.612 -20.820 18.480 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.697 -19.177 17.802 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.055 -20.583 16.773 1.00 0.00 H new ATOM 462 N SER A 34 -0.303 -21.117 14.803 1.00 0.00 N ATOM 463 CA SER A 34 0.877 -21.638 14.134 1.00 0.00 C ATOM 464 C SER A 34 2.117 -21.394 14.996 1.00 0.00 C ATOM 465 O SER A 34 2.019 -20.839 16.089 1.00 0.00 O ATOM 466 CB SER A 34 1.055 -21.001 12.755 1.00 0.00 C ATOM 467 OG SER A 34 1.898 -21.782 11.911 1.00 0.00 O ATOM 0 H SER A 34 -1.080 -21.775 14.872 1.00 0.00 H new ATOM 0 HA SER A 34 0.745 -22.711 13.994 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.080 -20.881 12.283 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.479 -20.003 12.868 1.00 0.00 H new ATOM 0 HG SER A 34 1.985 -21.343 11.039 1.00 0.00 H new ATOM 473 N ALA A 35 3.257 -21.822 14.471 1.00 0.00 N ATOM 474 CA ALA A 35 4.515 -21.656 15.179 1.00 0.00 C ATOM 475 C ALA A 35 5.051 -20.244 14.935 1.00 0.00 C ATOM 476 O ALA A 35 5.521 -19.586 15.861 1.00 0.00 O ATOM 477 CB ALA A 35 5.499 -22.739 14.731 1.00 0.00 C ATOM 0 H ALA A 35 3.335 -22.283 13.564 1.00 0.00 H new ATOM 0 HA ALA A 35 4.369 -21.771 16.253 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.443 -22.615 15.262 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.084 -23.722 14.953 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.672 -22.652 13.658 1.00 0.00 H new ATOM 483 N ASP A 36 4.962 -19.821 13.683 1.00 0.00 N ATOM 484 CA ASP A 36 5.433 -18.499 13.305 1.00 0.00 C ATOM 485 C ASP A 36 4.358 -17.799 12.470 1.00 0.00 C ATOM 486 O ASP A 36 4.537 -17.591 11.271 1.00 0.00 O ATOM 487 CB ASP A 36 6.705 -18.588 12.460 1.00 0.00 C ATOM 488 CG ASP A 36 7.841 -19.399 13.085 1.00 0.00 C ATOM 489 OD1 ASP A 36 7.590 -20.585 13.391 1.00 0.00 O ATOM 490 OD2 ASP A 36 8.935 -18.816 13.243 1.00 0.00 O ATOM 0 H ASP A 36 4.571 -20.370 12.917 1.00 0.00 H new ATOM 0 HA ASP A 36 5.645 -17.943 14.218 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.452 -19.028 11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.065 -17.578 12.265 1.00 0.00 H new ATOM 495 N LYS A 37 3.266 -17.456 13.136 1.00 0.00 N ATOM 496 CA LYS A 37 2.163 -16.784 12.471 1.00 0.00 C ATOM 497 C LYS A 37 2.715 -15.684 11.563 1.00 0.00 C ATOM 498 O LYS A 37 2.403 -15.640 10.374 1.00 0.00 O ATOM 499 CB LYS A 37 1.144 -16.283 13.496 1.00 0.00 C ATOM 500 CG LYS A 37 -0.277 -16.693 13.103 1.00 0.00 C ATOM 501 CD LYS A 37 -1.316 -15.884 13.882 1.00 0.00 C ATOM 502 CE LYS A 37 -2.254 -15.138 12.931 1.00 0.00 C ATOM 503 NZ LYS A 37 -2.915 -14.014 13.632 1.00 0.00 N ATOM 0 H LYS A 37 3.121 -17.631 14.130 1.00 0.00 H new ATOM 0 HA LYS A 37 1.621 -17.482 11.833 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.384 -16.687 14.480 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.205 -15.197 13.574 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.420 -16.541 12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.419 -17.756 13.296 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.895 -16.549 14.522 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.812 -15.171 14.535 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.691 -14.761 12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.006 -15.823 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.548 -13.518 12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.468 -14.381 14.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.194 -13.352 13.984 1.00 0.00 H new ATOM 517 N LYS A 38 3.526 -14.821 12.158 1.00 0.00 N ATOM 518 CA LYS A 38 4.124 -13.723 11.418 1.00 0.00 C ATOM 519 C LYS A 38 4.666 -14.247 10.086 1.00 0.00 C ATOM 520 O LYS A 38 4.124 -13.937 9.027 1.00 0.00 O ATOM 521 CB LYS A 38 5.175 -13.011 12.272 1.00 0.00 C ATOM 522 CG LYS A 38 4.707 -11.606 12.658 1.00 0.00 C ATOM 523 CD LYS A 38 3.569 -11.668 13.679 1.00 0.00 C ATOM 524 CE LYS A 38 2.267 -11.131 13.082 1.00 0.00 C ATOM 525 NZ LYS A 38 1.153 -11.284 14.044 1.00 0.00 N ATOM 0 H LYS A 38 3.783 -14.860 13.144 1.00 0.00 H new ATOM 0 HA LYS A 38 3.373 -12.968 11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.372 -13.593 13.172 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.114 -12.947 11.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.542 -11.042 13.073 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.373 -11.073 11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.425 -12.698 14.007 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.835 -11.087 14.562 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.387 -10.080 12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.035 -11.665 12.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.277 -10.914 13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.029 -12.291 14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.369 -10.755 14.913 1.00 0.00 H new ATOM 539 N THR A 39 5.729 -15.031 10.184 1.00 0.00 N ATOM 540 CA THR A 39 6.350 -15.601 9.001 1.00 0.00 C ATOM 541 C THR A 39 5.289 -16.208 8.081 1.00 0.00 C ATOM 542 O THR A 39 5.298 -15.970 6.874 1.00 0.00 O ATOM 543 CB THR A 39 7.405 -16.609 9.460 1.00 0.00 C ATOM 544 OG1 THR A 39 8.222 -15.870 10.363 1.00 0.00 O ATOM 545 CG2 THR A 39 8.362 -17.009 8.334 1.00 0.00 C ATOM 0 H THR A 39 6.176 -15.285 11.065 1.00 0.00 H new ATOM 0 HA THR A 39 6.849 -14.834 8.408 1.00 0.00 H new ATOM 0 HB THR A 39 6.911 -17.499 9.850 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.932 -16.449 10.710 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.090 -17.726 8.713 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.797 -17.462 7.520 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.881 -16.124 7.966 1.00 0.00 H new ATOM 553 N CYS A 40 4.399 -16.981 8.687 1.00 0.00 N ATOM 554 CA CYS A 40 3.333 -17.624 7.937 1.00 0.00 C ATOM 555 C CYS A 40 2.611 -16.555 7.115 1.00 0.00 C ATOM 556 O CYS A 40 2.623 -16.599 5.886 1.00 0.00 O ATOM 557 CB CYS A 40 2.373 -18.382 8.857 1.00 0.00 C ATOM 558 SG CYS A 40 0.681 -18.594 8.192 1.00 0.00 S ATOM 0 H CYS A 40 4.394 -17.176 9.688 1.00 0.00 H new ATOM 0 HA CYS A 40 3.756 -18.372 7.266 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.793 -19.366 9.065 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.311 -17.854 9.809 1.00 0.00 H new ATOM 563 N ARG A 41 2.000 -15.619 7.826 1.00 0.00 N ATOM 564 CA ARG A 41 1.274 -14.540 7.178 1.00 0.00 C ATOM 565 C ARG A 41 2.089 -13.979 6.010 1.00 0.00 C ATOM 566 O ARG A 41 1.541 -13.697 4.945 1.00 0.00 O ATOM 567 CB ARG A 41 0.967 -13.412 8.164 1.00 0.00 C ATOM 568 CG ARG A 41 -0.216 -13.777 9.064 1.00 0.00 C ATOM 569 CD ARG A 41 -0.696 -12.561 9.858 1.00 0.00 C ATOM 570 NE ARG A 41 -1.846 -11.931 9.173 1.00 0.00 N ATOM 571 CZ ARG A 41 -2.391 -10.762 9.539 1.00 0.00 C ATOM 572 NH1 ARG A 41 -1.893 -10.090 10.586 1.00 0.00 N ATOM 573 NH2 ARG A 41 -3.433 -10.266 8.859 1.00 0.00 N ATOM 0 H ARG A 41 1.993 -15.585 8.845 1.00 0.00 H new ATOM 0 HA ARG A 41 0.334 -14.949 6.807 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.846 -13.210 8.776 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.743 -12.496 7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.034 -14.165 8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.076 -14.572 9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.983 -12.864 10.865 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.115 -11.841 9.961 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.250 -12.417 8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.100 -10.468 11.104 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.307 -9.201 10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.812 -10.778 8.062 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.847 -9.377 9.138 1.00 0.00 H new ATOM 587 N ARG A 42 3.384 -13.835 6.249 1.00 0.00 N ATOM 588 CA ARG A 42 4.279 -13.313 5.231 1.00 0.00 C ATOM 589 C ARG A 42 4.386 -14.296 4.064 1.00 0.00 C ATOM 590 O ARG A 42 4.131 -13.934 2.916 1.00 0.00 O ATOM 591 CB ARG A 42 5.675 -13.057 5.803 1.00 0.00 C ATOM 592 CG ARG A 42 5.759 -11.672 6.447 1.00 0.00 C ATOM 593 CD ARG A 42 6.365 -11.756 7.850 1.00 0.00 C ATOM 594 NE ARG A 42 7.297 -10.627 8.066 1.00 0.00 N ATOM 595 CZ ARG A 42 8.243 -10.605 9.014 1.00 0.00 C ATOM 596 NH1 ARG A 42 8.389 -11.651 9.839 1.00 0.00 N ATOM 597 NH2 ARG A 42 9.044 -9.538 9.137 1.00 0.00 N ATOM 0 H ARG A 42 3.835 -14.071 7.133 1.00 0.00 H new ATOM 0 HA ARG A 42 3.865 -12.368 4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.914 -13.821 6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.418 -13.138 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.364 -11.013 5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.763 -11.232 6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.574 -11.734 8.599 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.892 -12.702 7.972 1.00 0.00 H new ATOM 0 HE ARG A 42 7.214 -9.815 7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.780 -12.464 9.745 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.109 -11.634 10.561 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.933 -8.742 8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.764 -9.522 9.859 1.00 0.00 H new ATOM 611 N ASN A 43 4.765 -15.522 4.397 1.00 0.00 N ATOM 612 CA ASN A 43 4.908 -16.560 3.390 1.00 0.00 C ATOM 613 C ASN A 43 3.674 -16.562 2.486 1.00 0.00 C ATOM 614 O ASN A 43 3.793 -16.690 1.268 1.00 0.00 O ATOM 615 CB ASN A 43 5.023 -17.942 4.037 1.00 0.00 C ATOM 616 CG ASN A 43 6.472 -18.432 4.031 1.00 0.00 C ATOM 617 OD1 ASN A 43 6.978 -18.942 3.044 1.00 0.00 O ATOM 618 ND2 ASN A 43 7.110 -18.251 5.184 1.00 0.00 N ATOM 0 H ASN A 43 4.977 -15.819 5.349 1.00 0.00 H new ATOM 0 HA ASN A 43 5.812 -16.353 2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.654 -17.899 5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.393 -18.652 3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.082 -18.546 5.281 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.628 -17.818 5.971 1.00 0.00 H new ATOM 625 N CYS A 44 2.518 -16.419 3.116 1.00 0.00 N ATOM 626 CA CYS A 44 1.263 -16.402 2.384 1.00 0.00 C ATOM 627 C CYS A 44 1.413 -15.450 1.196 1.00 0.00 C ATOM 628 O CYS A 44 0.851 -15.690 0.128 1.00 0.00 O ATOM 629 CB CYS A 44 0.088 -16.013 3.283 1.00 0.00 C ATOM 630 SG CYS A 44 -1.557 -16.134 2.491 1.00 0.00 S ATOM 0 H CYS A 44 2.424 -16.314 4.126 1.00 0.00 H new ATOM 0 HA CYS A 44 1.039 -17.404 2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.098 -16.651 4.167 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.236 -14.989 3.627 1.00 0.00 H new ATOM 635 N LYS A 45 2.173 -14.388 1.421 1.00 0.00 N ATOM 636 CA LYS A 45 2.404 -13.398 0.383 1.00 0.00 C ATOM 637 C LYS A 45 2.986 -14.088 -0.853 1.00 0.00 C ATOM 638 O LYS A 45 2.597 -13.783 -1.979 1.00 0.00 O ATOM 639 CB LYS A 45 3.271 -12.256 0.915 1.00 0.00 C ATOM 640 CG LYS A 45 2.950 -10.943 0.197 1.00 0.00 C ATOM 641 CD LYS A 45 3.418 -9.740 1.018 1.00 0.00 C ATOM 642 CE LYS A 45 4.534 -8.984 0.295 1.00 0.00 C ATOM 643 NZ LYS A 45 5.861 -9.461 0.747 1.00 0.00 N ATOM 0 H LYS A 45 2.637 -14.192 2.308 1.00 0.00 H new ATOM 0 HA LYS A 45 1.464 -12.938 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.107 -12.138 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.324 -12.501 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.433 -10.931 -0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.876 -10.873 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.578 -9.070 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.773 -10.076 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.438 -9.124 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.441 -7.915 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.607 -8.937 0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.956 -9.305 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.953 -10.476 0.542 1.00 0.00 H new ATOM 657 N LYS A 46 3.909 -15.005 -0.600 1.00 0.00 N ATOM 658 CA LYS A 46 4.548 -15.740 -1.678 1.00 0.00 C ATOM 659 C LYS A 46 3.719 -16.984 -2.002 1.00 0.00 C ATOM 660 O LYS A 46 3.770 -17.494 -3.121 1.00 0.00 O ATOM 661 CB LYS A 46 6.005 -16.046 -1.327 1.00 0.00 C ATOM 662 CG LYS A 46 6.916 -14.873 -1.696 1.00 0.00 C ATOM 663 CD LYS A 46 7.799 -15.221 -2.896 1.00 0.00 C ATOM 664 CE LYS A 46 8.455 -13.966 -3.476 1.00 0.00 C ATOM 665 NZ LYS A 46 9.796 -14.284 -4.016 1.00 0.00 N ATOM 0 H LYS A 46 4.229 -15.255 0.336 1.00 0.00 H new ATOM 0 HA LYS A 46 4.583 -15.135 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.090 -16.255 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.329 -16.943 -1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.311 -13.997 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.542 -14.612 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.569 -15.931 -2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.199 -15.710 -3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.827 -13.552 -4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.540 -13.202 -2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.227 -13.421 -4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.397 -14.658 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.707 -14.997 -4.768 1.00 0.00 H new ATOM 679 N ALA A 47 2.976 -17.438 -1.004 1.00 0.00 N ATOM 680 CA ALA A 47 2.137 -18.613 -1.169 1.00 0.00 C ATOM 681 C ALA A 47 1.349 -18.492 -2.474 1.00 0.00 C ATOM 682 O ALA A 47 1.496 -19.321 -3.371 1.00 0.00 O ATOM 683 CB ALA A 47 1.226 -18.766 0.051 1.00 0.00 C ATOM 0 H ALA A 47 2.937 -17.013 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 47 2.747 -19.514 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.597 -19.647 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.835 -18.878 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.596 -17.882 0.148 1.00 0.00 H new ATOM 689 N ASP A 48 0.529 -17.453 -2.539 1.00 0.00 N ATOM 690 CA ASP A 48 -0.283 -17.214 -3.720 1.00 0.00 C ATOM 691 C ASP A 48 -0.908 -15.820 -3.629 1.00 0.00 C ATOM 692 O ASP A 48 -2.100 -15.653 -3.881 1.00 0.00 O ATOM 693 CB ASP A 48 -1.418 -18.234 -3.824 1.00 0.00 C ATOM 694 CG ASP A 48 -1.035 -19.562 -4.481 1.00 0.00 C ATOM 695 OD1 ASP A 48 -0.542 -19.507 -5.628 1.00 0.00 O ATOM 696 OD2 ASP A 48 -1.243 -20.603 -3.820 1.00 0.00 O ATOM 0 H ASP A 48 0.410 -16.767 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 48 0.361 -17.301 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.797 -18.437 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.236 -17.788 -4.390 1.00 0.00 H new ATOM 701 N CYS A 49 -0.075 -14.855 -3.269 1.00 0.00 N ATOM 702 CA CYS A 49 -0.530 -13.481 -3.142 1.00 0.00 C ATOM 703 C CYS A 49 0.572 -12.559 -3.667 1.00 0.00 C ATOM 704 O CYS A 49 0.824 -11.499 -3.095 1.00 0.00 O ATOM 705 CB CYS A 49 -0.918 -13.144 -1.701 1.00 0.00 C ATOM 706 SG CYS A 49 -1.555 -14.557 -0.728 1.00 0.00 S ATOM 0 H CYS A 49 0.913 -14.998 -3.061 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.434 -13.339 -3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.046 -12.733 -1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.676 -12.361 -1.717 1.00 0.00 H new ATOM 711 N GLU A 50 1.199 -12.995 -4.749 1.00 0.00 N ATOM 712 CA GLU A 50 2.268 -12.222 -5.358 1.00 0.00 C ATOM 713 C GLU A 50 1.688 -11.082 -6.197 1.00 0.00 C ATOM 714 O GLU A 50 2.120 -9.937 -6.078 1.00 0.00 O ATOM 715 CB GLU A 50 3.179 -13.116 -6.202 1.00 0.00 C ATOM 716 CG GLU A 50 4.477 -13.436 -5.458 1.00 0.00 C ATOM 717 CD GLU A 50 5.686 -13.321 -6.389 1.00 0.00 C ATOM 718 OE1 GLU A 50 5.597 -13.878 -7.505 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.671 -12.680 -5.964 1.00 0.00 O ATOM 0 H GLU A 50 0.987 -13.874 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 50 2.875 -11.789 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.659 -14.042 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.409 -12.620 -7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.596 -12.754 -4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.425 -14.444 -5.046 1.00 0.00 H new ATOM 726 N PRO A 51 0.692 -11.445 -7.049 1.00 0.00 N ATOM 727 CA PRO A 51 0.047 -10.465 -7.907 1.00 0.00 C ATOM 728 C PRO A 51 -0.911 -9.581 -7.107 1.00 0.00 C ATOM 729 O PRO A 51 -0.835 -8.355 -7.176 1.00 0.00 O ATOM 730 CB PRO A 51 -0.653 -11.283 -8.980 1.00 0.00 C ATOM 731 CG PRO A 51 -0.766 -12.693 -8.422 1.00 0.00 C ATOM 732 CD PRO A 51 0.154 -12.792 -7.216 1.00 0.00 C ATOM 0 HA PRO A 51 0.754 -9.767 -8.355 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.637 -10.872 -9.205 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.085 -11.275 -9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.795 -12.909 -8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.485 -13.426 -9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.390 -13.114 -6.328 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.949 -13.518 -7.383 1.00 0.00 H new ATOM 740 N GLN A 52 -1.792 -10.238 -6.366 1.00 0.00 N ATOM 741 CA GLN A 52 -2.764 -9.527 -5.554 1.00 0.00 C ATOM 742 C GLN A 52 -2.080 -8.411 -4.762 1.00 0.00 C ATOM 743 O GLN A 52 -2.601 -7.300 -4.671 1.00 0.00 O ATOM 744 CB GLN A 52 -3.505 -10.486 -4.620 1.00 0.00 C ATOM 745 CG GLN A 52 -4.324 -11.504 -5.417 1.00 0.00 C ATOM 746 CD GLN A 52 -5.100 -12.435 -4.484 1.00 0.00 C ATOM 747 OE1 GLN A 52 -5.589 -12.041 -3.437 1.00 0.00 O ATOM 748 NE2 GLN A 52 -5.186 -13.689 -4.920 1.00 0.00 N ATOM 0 H GLN A 52 -1.852 -11.255 -6.311 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.501 -9.076 -6.218 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.789 -11.007 -3.985 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.163 -9.921 -3.960 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.018 -10.982 -6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.661 -12.091 -6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.754 -13.952 -5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.684 -14.388 -4.369 1.00 0.00 H new ATOM 757 N ASP A 53 -0.923 -8.745 -4.209 1.00 0.00 N ATOM 758 CA ASP A 53 -0.162 -7.784 -3.428 1.00 0.00 C ATOM 759 C ASP A 53 0.290 -6.639 -4.335 1.00 0.00 C ATOM 760 O ASP A 53 0.268 -5.477 -3.932 1.00 0.00 O ATOM 761 CB ASP A 53 1.087 -8.431 -2.825 1.00 0.00 C ATOM 762 CG ASP A 53 1.747 -7.635 -1.698 1.00 0.00 C ATOM 763 OD1 ASP A 53 2.353 -6.590 -2.020 1.00 0.00 O ATOM 764 OD2 ASP A 53 1.631 -8.089 -0.539 1.00 0.00 O ATOM 0 H ASP A 53 -0.494 -9.667 -4.286 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.803 -7.419 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.820 -9.417 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.818 -8.583 -3.619 1.00 0.00 H new ATOM 769 N LYS A 54 0.688 -7.006 -5.544 1.00 0.00 N ATOM 770 CA LYS A 54 1.145 -6.024 -6.513 1.00 0.00 C ATOM 771 C LYS A 54 0.003 -5.054 -6.826 1.00 0.00 C ATOM 772 O LYS A 54 0.137 -3.847 -6.629 1.00 0.00 O ATOM 773 CB LYS A 54 1.719 -6.717 -7.749 1.00 0.00 C ATOM 774 CG LYS A 54 3.085 -7.336 -7.446 1.00 0.00 C ATOM 775 CD LYS A 54 3.601 -8.140 -8.641 1.00 0.00 C ATOM 776 CE LYS A 54 4.614 -9.196 -8.196 1.00 0.00 C ATOM 777 NZ LYS A 54 5.892 -9.028 -8.924 1.00 0.00 N ATOM 0 H LYS A 54 0.704 -7.971 -5.875 1.00 0.00 H new ATOM 0 HA LYS A 54 1.962 -5.433 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.032 -7.492 -8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.814 -5.998 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.797 -6.549 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.009 -7.984 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.765 -8.623 -9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.065 -7.468 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.786 -9.114 -7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.213 -10.193 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.568 -9.753 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.726 -9.129 -9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.281 -8.084 -8.729 1.00 0.00 H new ATOM 791 N VAL A 55 -1.094 -5.619 -7.308 1.00 0.00 N ATOM 792 CA VAL A 55 -2.259 -4.819 -7.650 1.00 0.00 C ATOM 793 C VAL A 55 -2.525 -3.810 -6.532 1.00 0.00 C ATOM 794 O VAL A 55 -3.077 -2.738 -6.777 1.00 0.00 O ATOM 795 CB VAL A 55 -3.455 -5.731 -7.931 1.00 0.00 C ATOM 796 CG1 VAL A 55 -4.732 -4.913 -8.135 1.00 0.00 C ATOM 797 CG2 VAL A 55 -3.185 -6.635 -9.135 1.00 0.00 C ATOM 0 H VAL A 55 -1.201 -6.620 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.079 -4.251 -8.563 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.601 -6.369 -7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.567 -5.585 -8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.939 -4.332 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.601 -4.238 -8.981 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.051 -7.273 -9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.999 -6.021 -10.016 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.312 -7.256 -8.935 1.00 0.00 H new ATOM 807 N CYS A 56 -2.122 -4.188 -5.328 1.00 0.00 N ATOM 808 CA CYS A 56 -2.311 -3.329 -4.171 1.00 0.00 C ATOM 809 C CYS A 56 -1.159 -2.323 -4.127 1.00 0.00 C ATOM 810 O CYS A 56 -1.384 -1.114 -4.176 1.00 0.00 O ATOM 811 CB CYS A 56 -2.411 -4.138 -2.877 1.00 0.00 C ATOM 812 SG CYS A 56 -2.190 -3.163 -1.344 1.00 0.00 S ATOM 0 H CYS A 56 -1.665 -5.078 -5.128 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.256 -2.794 -4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.386 -4.625 -2.844 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.660 -4.928 -2.900 1.00 0.00 H new ATOM 817 N ASP A 57 0.049 -2.858 -4.036 1.00 0.00 N ATOM 818 CA ASP A 57 1.236 -2.022 -3.985 1.00 0.00 C ATOM 819 C ASP A 57 1.079 -0.860 -4.967 1.00 0.00 C ATOM 820 O ASP A 57 1.622 0.222 -4.747 1.00 0.00 O ATOM 821 CB ASP A 57 2.484 -2.812 -4.383 1.00 0.00 C ATOM 822 CG ASP A 57 3.290 -3.382 -3.214 1.00 0.00 C ATOM 823 OD1 ASP A 57 2.644 -3.920 -2.289 1.00 0.00 O ATOM 824 OD2 ASP A 57 4.533 -3.267 -3.272 1.00 0.00 O ATOM 0 H ASP A 57 0.232 -3.861 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 57 1.349 -1.660 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.183 -3.634 -5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.134 -2.163 -4.971 1.00 0.00 H new ATOM 829 N ALA A 58 0.333 -1.122 -6.030 1.00 0.00 N ATOM 830 CA ALA A 58 0.097 -0.111 -7.047 1.00 0.00 C ATOM 831 C ALA A 58 -0.581 1.102 -6.407 1.00 0.00 C ATOM 832 O ALA A 58 -0.083 2.222 -6.510 1.00 0.00 O ATOM 833 CB ALA A 58 -0.735 -0.713 -8.181 1.00 0.00 C ATOM 0 H ALA A 58 -0.116 -2.020 -6.209 1.00 0.00 H new ATOM 0 HA ALA A 58 1.039 0.228 -7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.912 0.045 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.197 -1.552 -8.621 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.690 -1.061 -7.787 1.00 0.00 H new ATOM 839 N CYS A 59 -1.706 0.837 -5.759 1.00 0.00 N ATOM 840 CA CYS A 59 -2.457 1.894 -5.102 1.00 0.00 C ATOM 841 C CYS A 59 -1.505 2.656 -4.178 1.00 0.00 C ATOM 842 O CYS A 59 -1.282 3.852 -4.361 1.00 0.00 O ATOM 843 CB CYS A 59 -3.666 1.341 -4.345 1.00 0.00 C ATOM 844 SG CYS A 59 -4.505 2.547 -3.253 1.00 0.00 S ATOM 0 H CYS A 59 -2.116 -0.093 -5.675 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.860 2.577 -5.850 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.388 0.963 -5.069 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.343 0.491 -3.744 1.00 0.00 H new ATOM 849 N ARG A 60 -0.970 1.934 -3.205 1.00 0.00 N ATOM 850 CA ARG A 60 -0.047 2.527 -2.253 1.00 0.00 C ATOM 851 C ARG A 60 1.017 3.347 -2.985 1.00 0.00 C ATOM 852 O ARG A 60 1.283 4.492 -2.621 1.00 0.00 O ATOM 853 CB ARG A 60 0.639 1.453 -1.407 1.00 0.00 C ATOM 854 CG ARG A 60 -0.347 0.816 -0.424 1.00 0.00 C ATOM 855 CD ARG A 60 0.364 0.374 0.856 1.00 0.00 C ATOM 856 NE ARG A 60 0.299 1.450 1.869 1.00 0.00 N ATOM 857 CZ ARG A 60 1.156 1.574 2.892 1.00 0.00 C ATOM 858 NH1 ARG A 60 2.150 0.688 3.042 1.00 0.00 N ATOM 859 NH2 ARG A 60 1.020 2.582 3.763 1.00 0.00 N ATOM 0 H ARG A 60 -1.158 0.943 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.623 3.178 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.057 0.685 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.471 1.894 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.134 1.529 -0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.829 -0.043 -0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.101 -0.532 1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.404 0.131 0.638 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.446 2.142 1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.254 -0.079 2.378 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.803 0.781 3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.264 3.257 3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.673 2.675 4.541 1.00 0.00 H new ATOM 873 N MET A 61 1.597 2.729 -4.003 1.00 0.00 N ATOM 874 CA MET A 61 2.627 3.387 -4.789 1.00 0.00 C ATOM 875 C MET A 61 2.156 4.761 -5.270 1.00 0.00 C ATOM 876 O MET A 61 2.942 5.706 -5.329 1.00 0.00 O ATOM 877 CB MET A 61 2.981 2.518 -5.998 1.00 0.00 C ATOM 878 CG MET A 61 4.212 1.656 -5.711 1.00 0.00 C ATOM 879 SD MET A 61 5.507 2.035 -6.880 1.00 0.00 S ATOM 880 CE MET A 61 4.756 1.429 -8.382 1.00 0.00 C ATOM 0 H MET A 61 1.373 1.780 -4.302 1.00 0.00 H new ATOM 0 HA MET A 61 3.506 3.524 -4.159 1.00 0.00 H new ATOM 0 HB2 MET A 61 2.135 1.878 -6.251 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.171 3.153 -6.864 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.564 1.836 -4.695 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.950 0.600 -5.775 1.00 0.00 H new ATOM 0 HE1 MET A 61 5.532 1.222 -9.119 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.204 0.514 -8.169 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.073 2.181 -8.776 1.00 0.00 H new ATOM 890 N LYS A 62 0.874 4.830 -5.600 1.00 0.00 N ATOM 891 CA LYS A 62 0.289 6.073 -6.073 1.00 0.00 C ATOM 892 C LYS A 62 -0.143 6.918 -4.873 1.00 0.00 C ATOM 893 O LYS A 62 0.249 8.077 -4.752 1.00 0.00 O ATOM 894 CB LYS A 62 -0.841 5.790 -7.064 1.00 0.00 C ATOM 895 CG LYS A 62 -0.317 5.762 -8.501 1.00 0.00 C ATOM 896 CD LYS A 62 0.502 4.496 -8.762 1.00 0.00 C ATOM 897 CE LYS A 62 1.957 4.841 -9.086 1.00 0.00 C ATOM 898 NZ LYS A 62 2.237 4.612 -10.521 1.00 0.00 N ATOM 0 H LYS A 62 0.225 4.045 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 62 1.027 6.656 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.308 4.835 -6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.612 6.554 -6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.154 5.808 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.299 6.642 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.465 3.848 -7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.063 3.939 -9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.155 5.882 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.625 4.232 -8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.229 4.851 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.068 3.612 -10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.612 5.211 -11.097 1.00 0.00 H new ATOM 912 N CYS A 63 -0.945 6.303 -4.016 1.00 0.00 N ATOM 913 CA CYS A 63 -1.435 6.984 -2.829 1.00 0.00 C ATOM 914 C CYS A 63 -0.267 7.741 -2.193 1.00 0.00 C ATOM 915 O CYS A 63 -0.374 8.933 -1.911 1.00 0.00 O ATOM 916 CB CYS A 63 -2.087 6.010 -1.846 1.00 0.00 C ATOM 917 SG CYS A 63 -2.906 6.799 -0.413 1.00 0.00 S ATOM 0 H CYS A 63 -1.268 5.341 -4.120 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.216 7.691 -3.109 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.823 5.412 -2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.325 5.323 -1.478 1.00 0.00 H new ATOM 922 N HIS A 64 0.823 7.016 -1.985 1.00 0.00 N ATOM 923 CA HIS A 64 2.010 7.603 -1.387 1.00 0.00 C ATOM 924 C HIS A 64 2.296 8.958 -2.039 1.00 0.00 C ATOM 925 O HIS A 64 2.161 10.000 -1.399 1.00 0.00 O ATOM 926 CB HIS A 64 3.196 6.641 -1.476 1.00 0.00 C ATOM 927 CG HIS A 64 4.220 6.827 -0.382 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.567 7.011 -0.640 1.00 0.00 N ATOM 929 CD2 HIS A 64 4.080 6.856 0.974 1.00 0.00 C ATOM 930 CE1 HIS A 64 6.201 7.142 0.516 1.00 0.00 C ATOM 931 NE2 HIS A 64 5.277 7.046 1.516 1.00 0.00 N ATOM 0 H HIS A 64 0.909 6.027 -2.220 1.00 0.00 H new ATOM 0 HA HIS A 64 1.838 7.778 -0.325 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.824 5.617 -1.441 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.684 6.770 -2.442 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.152 6.743 1.516 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.262 7.297 0.644 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.474 7.110 2.515 1.00 0.00 H new ATOM 939 N LYS A 65 2.685 8.900 -3.304 1.00 0.00 N ATOM 940 CA LYS A 65 2.991 10.109 -4.049 1.00 0.00 C ATOM 941 C LYS A 65 1.798 11.064 -3.975 1.00 0.00 C ATOM 942 O LYS A 65 1.964 12.250 -3.695 1.00 0.00 O ATOM 943 CB LYS A 65 3.416 9.764 -5.478 1.00 0.00 C ATOM 944 CG LYS A 65 4.842 9.213 -5.509 1.00 0.00 C ATOM 945 CD LYS A 65 4.993 8.141 -6.590 1.00 0.00 C ATOM 946 CE LYS A 65 5.756 8.685 -7.799 1.00 0.00 C ATOM 947 NZ LYS A 65 5.481 7.863 -8.998 1.00 0.00 N ATOM 0 H LYS A 65 2.795 8.034 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 65 3.841 10.626 -3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.729 9.029 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.353 10.654 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.545 10.025 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.094 8.791 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.520 7.279 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.008 7.794 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.465 9.719 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.826 8.688 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.007 8.246 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.781 6.883 -8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.462 7.882 -9.206 1.00 0.00 H new ATOM 961 N ALA A 66 0.621 10.511 -4.232 1.00 0.00 N ATOM 962 CA ALA A 66 -0.599 11.299 -4.198 1.00 0.00 C ATOM 963 C ALA A 66 -0.588 12.195 -2.958 1.00 0.00 C ATOM 964 O ALA A 66 -0.661 13.418 -3.070 1.00 0.00 O ATOM 965 CB ALA A 66 -1.811 10.365 -4.233 1.00 0.00 C ATOM 0 H ALA A 66 0.487 9.527 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.662 11.947 -5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.727 10.956 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.787 9.772 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.784 9.701 -3.369 1.00 0.00 H new ATOM 971 N CYS A 67 -0.497 11.552 -1.803 1.00 0.00 N ATOM 972 CA CYS A 67 -0.475 12.275 -0.543 1.00 0.00 C ATOM 973 C CYS A 67 0.668 13.290 -0.591 1.00 0.00 C ATOM 974 O CYS A 67 0.496 14.443 -0.200 1.00 0.00 O ATOM 975 CB CYS A 67 -0.348 11.327 0.651 1.00 0.00 C ATOM 976 SG CYS A 67 -0.599 12.113 2.285 1.00 0.00 S ATOM 0 H CYS A 67 -0.438 10.538 -1.714 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.420 12.801 -0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.073 10.521 0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.642 10.871 0.631 1.00 0.00 H new ATOM 981 N ARG A 68 1.811 12.824 -1.075 1.00 0.00 N ATOM 982 CA ARG A 68 2.982 13.677 -1.179 1.00 0.00 C ATOM 983 C ARG A 68 2.598 15.039 -1.760 1.00 0.00 C ATOM 984 O ARG A 68 3.193 16.057 -1.411 1.00 0.00 O ATOM 985 CB ARG A 68 4.053 13.036 -2.065 1.00 0.00 C ATOM 986 CG ARG A 68 5.451 13.519 -1.672 1.00 0.00 C ATOM 987 CD ARG A 68 6.377 13.564 -2.889 1.00 0.00 C ATOM 988 NE ARG A 68 6.817 12.196 -3.242 1.00 0.00 N ATOM 989 CZ ARG A 68 7.484 11.887 -4.362 1.00 0.00 C ATOM 990 NH1 ARG A 68 7.792 12.847 -5.245 1.00 0.00 N ATOM 991 NH2 ARG A 68 7.843 10.618 -4.600 1.00 0.00 N ATOM 0 H ARG A 68 1.950 11.867 -1.399 1.00 0.00 H new ATOM 0 HA ARG A 68 3.387 13.808 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.001 11.951 -1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.860 13.281 -3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.385 14.510 -1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.870 12.855 -0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.859 14.017 -3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.244 14.189 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 68 6.599 11.441 -2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.519 13.813 -5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.300 12.612 -6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.608 9.887 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.351 10.383 -5.453 1.00 0.00 H new ATOM 1005 N ALA A 69 1.605 15.013 -2.637 1.00 0.00 N ATOM 1006 CA ALA A 69 1.134 16.234 -3.270 1.00 0.00 C ATOM 1007 C ALA A 69 -0.153 16.695 -2.583 1.00 0.00 C ATOM 1008 O ALA A 69 -0.420 17.892 -2.497 1.00 0.00 O ATOM 1009 CB ALA A 69 0.940 15.990 -4.768 1.00 0.00 C ATOM 0 H ALA A 69 1.114 14.166 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 69 1.869 17.031 -3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.587 16.905 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.889 15.693 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.206 15.198 -4.916 1.00 0.00 H new ATOM 1015 N ALA A 70 -0.917 15.720 -2.112 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.170 16.011 -1.435 1.00 0.00 C ATOM 1017 C ALA A 70 -1.886 16.838 -0.180 1.00 0.00 C ATOM 1018 O ALA A 70 -2.144 18.040 -0.152 1.00 0.00 O ATOM 1019 CB ALA A 70 -2.896 14.702 -1.120 1.00 0.00 C ATOM 0 H ALA A 70 -0.693 14.728 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.825 16.600 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.836 14.920 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.100 14.167 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.270 14.085 -0.475 1.00 0.00 H new ATOM 1025 N ASN A 71 -1.359 16.160 0.830 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.037 16.817 2.085 1.00 0.00 C ATOM 1027 C ASN A 71 0.232 17.653 1.908 1.00 0.00 C ATOM 1028 O ASN A 71 0.192 18.878 2.010 1.00 0.00 O ATOM 1029 CB ASN A 71 -0.779 15.794 3.192 1.00 0.00 C ATOM 1030 CG ASN A 71 -1.984 15.684 4.129 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -2.269 16.567 4.921 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -2.671 14.553 3.996 1.00 0.00 N ATOM 0 H ASN A 71 -1.147 15.163 0.804 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.884 17.444 2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.567 14.820 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.104 16.084 3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.492 14.383 4.577 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.377 13.855 3.313 1.00 0.00 H new ATOM 1039 N CYS A 72 1.329 16.957 1.647 1.00 0.00 N ATOM 1040 CA CYS A 72 2.608 17.619 1.455 1.00 0.00 C ATOM 1041 C CYS A 72 2.623 18.238 0.056 1.00 0.00 C ATOM 1042 O CYS A 72 1.791 17.902 -0.785 1.00 0.00 O ATOM 1043 CB CYS A 72 3.780 16.659 1.667 1.00 0.00 C ATOM 1044 SG CYS A 72 3.822 15.849 3.307 1.00 0.00 S ATOM 0 H CYS A 72 1.358 15.941 1.564 1.00 0.00 H new ATOM 0 HA CYS A 72 2.729 18.405 2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.743 15.888 0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.711 17.208 1.524 1.00 0.00 H new ATOM 1049 N ALA A 73 3.578 19.133 -0.150 1.00 0.00 N ATOM 1050 CA ALA A 73 3.713 19.802 -1.433 1.00 0.00 C ATOM 1051 C ALA A 73 5.055 20.535 -1.482 1.00 0.00 C ATOM 1052 O ALA A 73 5.917 20.206 -2.295 1.00 0.00 O ATOM 1053 CB ALA A 73 2.526 20.743 -1.645 1.00 0.00 C ATOM 0 H ALA A 73 4.266 19.411 0.550 1.00 0.00 H new ATOM 0 HA ALA A 73 3.704 19.077 -2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.627 21.245 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.600 20.169 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.504 21.487 -0.848 1.00 0.00 H new ATOM 1059 N SER A 74 5.189 21.516 -0.602 1.00 0.00 N ATOM 1060 CA SER A 74 6.412 22.299 -0.535 1.00 0.00 C ATOM 1061 C SER A 74 7.554 21.440 0.010 1.00 0.00 C ATOM 1062 O SER A 74 8.690 21.547 -0.450 1.00 0.00 O ATOM 1063 CB SER A 74 6.222 23.544 0.334 1.00 0.00 C ATOM 1064 OG SER A 74 6.352 24.746 -0.419 1.00 0.00 O ATOM 0 H SER A 74 4.472 21.787 0.070 1.00 0.00 H new ATOM 0 HA SER A 74 6.663 22.628 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.237 23.513 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.957 23.540 1.139 1.00 0.00 H new ATOM 0 HG SER A 74 6.222 25.517 0.171 1.00 0.00 H new ATOM 1070 N GLU A 75 7.214 20.608 0.983 1.00 0.00 N ATOM 1071 CA GLU A 75 8.197 19.731 1.597 1.00 0.00 C ATOM 1072 C GLU A 75 8.793 18.788 0.549 1.00 0.00 C ATOM 1073 O GLU A 75 9.913 18.305 0.710 1.00 0.00 O ATOM 1074 CB GLU A 75 7.583 18.944 2.756 1.00 0.00 C ATOM 1075 CG GLU A 75 7.389 19.838 3.983 1.00 0.00 C ATOM 1076 CD GLU A 75 6.551 21.070 3.637 1.00 0.00 C ATOM 1077 OE1 GLU A 75 7.147 22.030 3.102 1.00 0.00 O ATOM 1078 OE2 GLU A 75 5.334 21.026 3.917 1.00 0.00 O ATOM 0 H GLU A 75 6.271 20.522 1.362 1.00 0.00 H new ATOM 0 HA GLU A 75 9.000 20.346 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.623 18.527 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.228 18.104 3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.900 19.272 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.360 20.150 4.367 1.00 0.00 H new ATOM 1085 N CYS A 76 8.019 18.555 -0.500 1.00 0.00 N ATOM 1086 CA CYS A 76 8.457 17.679 -1.573 1.00 0.00 C ATOM 1087 C CYS A 76 8.081 18.328 -2.907 1.00 0.00 C ATOM 1088 O CYS A 76 7.056 17.992 -3.498 1.00 0.00 O ATOM 1089 CB CYS A 76 7.864 16.275 -1.435 1.00 0.00 C ATOM 1090 SG CYS A 76 7.537 15.746 0.286 1.00 0.00 S ATOM 0 H CYS A 76 7.091 18.958 -0.630 1.00 0.00 H new ATOM 0 HA CYS A 76 9.538 17.552 -1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.931 16.233 -1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.546 15.561 -1.896 1.00 0.00 H new ATOM 1095 N PRO A 77 8.954 19.271 -3.353 1.00 0.00 N ATOM 1096 CA PRO A 77 8.724 19.970 -4.606 1.00 0.00 C ATOM 1097 C PRO A 77 9.033 19.067 -5.802 1.00 0.00 C ATOM 1098 O PRO A 77 9.190 17.857 -5.647 1.00 0.00 O ATOM 1099 CB PRO A 77 9.618 21.197 -4.542 1.00 0.00 C ATOM 1100 CG PRO A 77 10.656 20.901 -3.471 1.00 0.00 C ATOM 1101 CD PRO A 77 10.178 19.694 -2.680 1.00 0.00 C ATOM 0 HA PRO A 77 7.682 20.260 -4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.093 21.385 -5.505 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.042 22.088 -4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.626 20.700 -3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.783 21.762 -2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.925 18.900 -2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.988 19.953 -1.638 1.00 0.00 H new ATOM 1109 N LYS A 78 9.112 19.691 -6.969 1.00 0.00 N ATOM 1110 CA LYS A 78 9.399 18.959 -8.191 1.00 0.00 C ATOM 1111 C LYS A 78 10.642 18.091 -7.980 1.00 0.00 C ATOM 1112 O LYS A 78 11.735 18.610 -7.758 1.00 0.00 O ATOM 1113 CB LYS A 78 9.514 19.920 -9.376 1.00 0.00 C ATOM 1114 CG LYS A 78 9.051 19.250 -10.671 1.00 0.00 C ATOM 1115 CD LYS A 78 10.075 19.451 -11.790 1.00 0.00 C ATOM 1116 CE LYS A 78 10.079 18.260 -12.750 1.00 0.00 C ATOM 1117 NZ LYS A 78 8.852 18.257 -13.577 1.00 0.00 N ATOM 0 H LYS A 78 8.982 20.695 -7.094 1.00 0.00 H new ATOM 0 HA LYS A 78 8.577 18.286 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.913 20.809 -9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.547 20.250 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.900 18.184 -10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.089 19.664 -10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.845 20.364 -12.339 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.068 19.579 -11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.958 18.307 -13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.146 17.330 -12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.871 17.442 -14.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.018 18.190 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.804 19.136 -14.130 1.00 0.00 H new ATOM 1131 N HIS A 79 10.433 16.786 -8.058 1.00 0.00 N ATOM 1132 CA HIS A 79 11.522 15.841 -7.879 1.00 0.00 C ATOM 1133 C HIS A 79 11.706 15.546 -6.389 1.00 0.00 C ATOM 1134 O HIS A 79 10.990 16.093 -5.551 1.00 0.00 O ATOM 1135 CB HIS A 79 12.801 16.355 -8.543 1.00 0.00 C ATOM 1136 CG HIS A 79 13.659 15.268 -9.147 1.00 0.00 C ATOM 1137 ND1 HIS A 79 15.023 15.407 -9.334 1.00 0.00 N ATOM 1138 CD2 HIS A 79 13.332 14.024 -9.602 1.00 0.00 C ATOM 1139 CE1 HIS A 79 15.486 14.291 -9.879 1.00 0.00 C ATOM 1140 NE2 HIS A 79 14.436 13.436 -10.044 1.00 0.00 N ATOM 0 H HIS A 79 9.525 16.360 -8.243 1.00 0.00 H new ATOM 0 HA HIS A 79 11.277 14.901 -8.373 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.532 17.067 -9.323 1.00 0.00 H new ATOM 0 HB3 HIS A 79 13.389 16.899 -7.804 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.342 13.591 -9.602 1.00 0.00 H new ATOM 0 HE1 HIS A 79 16.514 14.093 -10.146 1.00 0.00 H new ATOM 0 HE2 HIS A 79 14.491 12.498 -10.442 1.00 0.00 H new ATOM 1148 N GLU A 80 12.668 14.681 -6.104 1.00 0.00 N ATOM 1149 CA GLU A 80 12.954 14.306 -4.729 1.00 0.00 C ATOM 1150 C GLU A 80 11.771 13.546 -4.129 1.00 0.00 C ATOM 1151 O GLU A 80 10.627 13.987 -4.232 1.00 0.00 O ATOM 1152 CB GLU A 80 13.301 15.536 -3.887 1.00 0.00 C ATOM 1153 CG GLU A 80 14.810 15.782 -3.872 1.00 0.00 C ATOM 1154 CD GLU A 80 15.310 16.209 -5.253 1.00 0.00 C ATOM 1155 OE1 GLU A 80 14.867 17.285 -5.709 1.00 0.00 O ATOM 1156 OE2 GLU A 80 16.124 15.450 -5.822 1.00 0.00 O ATOM 0 H GLU A 80 13.259 14.229 -6.801 1.00 0.00 H new ATOM 0 HA GLU A 80 13.822 13.647 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.790 16.411 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.942 15.396 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.049 16.554 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.327 14.875 -3.559 1.00 0.00 H new ATOM 1163 N HIS A 81 12.085 12.415 -3.514 1.00 0.00 N ATOM 1164 CA HIS A 81 11.062 11.589 -2.897 1.00 0.00 C ATOM 1165 C HIS A 81 11.458 11.274 -1.453 1.00 0.00 C ATOM 1166 O HIS A 81 10.667 11.470 -0.531 1.00 0.00 O ATOM 1167 CB HIS A 81 10.804 10.331 -3.729 1.00 0.00 C ATOM 1168 CG HIS A 81 12.022 9.456 -3.913 1.00 0.00 C ATOM 1169 ND1 HIS A 81 12.080 8.148 -3.464 1.00 0.00 N ATOM 1170 CD2 HIS A 81 13.225 9.715 -4.501 1.00 0.00 C ATOM 1171 CE1 HIS A 81 13.269 7.652 -3.773 1.00 0.00 C ATOM 1172 NE2 HIS A 81 13.977 8.625 -4.415 1.00 0.00 N ATOM 0 H HIS A 81 13.034 12.051 -3.430 1.00 0.00 H new ATOM 0 HA HIS A 81 10.119 12.134 -2.868 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.018 9.746 -3.251 1.00 0.00 H new ATOM 0 HB3 HIS A 81 10.430 10.626 -4.709 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.516 10.649 -4.959 1.00 0.00 H new ATOM 0 HE1 HIS A 81 13.616 6.653 -3.555 1.00 0.00 H new ATOM 0 HE2 HIS A 81 14.928 8.530 -4.771 1.00 0.00 H new ATOM 1180 N LYS A 82 12.682 10.790 -1.301 1.00 0.00 N ATOM 1181 CA LYS A 82 13.193 10.446 0.015 1.00 0.00 C ATOM 1182 C LYS A 82 13.993 11.626 0.571 1.00 0.00 C ATOM 1183 O LYS A 82 15.200 11.520 0.778 1.00 0.00 O ATOM 1184 CB LYS A 82 13.986 9.139 -0.043 1.00 0.00 C ATOM 1185 CG LYS A 82 13.422 8.111 0.940 1.00 0.00 C ATOM 1186 CD LYS A 82 12.580 7.062 0.212 1.00 0.00 C ATOM 1187 CE LYS A 82 12.940 5.650 0.680 1.00 0.00 C ATOM 1188 NZ LYS A 82 11.748 4.773 0.645 1.00 0.00 N ATOM 0 H LYS A 82 13.335 10.628 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 82 12.371 10.263 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.955 8.735 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.033 9.334 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.240 7.622 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.813 8.616 1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.522 7.250 0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.739 7.145 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.721 5.237 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.342 5.687 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.010 3.819 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.014 5.160 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.382 4.723 -0.327 1.00 0.00 H new ATOM 1202 N SER A 83 13.286 12.724 0.798 1.00 0.00 N ATOM 1203 CA SER A 83 13.915 13.923 1.326 1.00 0.00 C ATOM 1204 C SER A 83 13.764 13.965 2.848 1.00 0.00 C ATOM 1205 O SER A 83 12.733 13.561 3.385 1.00 0.00 O ATOM 1206 CB SER A 83 13.315 15.182 0.698 1.00 0.00 C ATOM 1207 OG SER A 83 13.339 16.290 1.594 1.00 0.00 O ATOM 0 H SER A 83 12.284 12.808 0.626 1.00 0.00 H new ATOM 0 HA SER A 83 14.975 13.894 1.073 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.869 15.435 -0.206 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.287 14.982 0.397 1.00 0.00 H new ATOM 0 HG SER A 83 13.578 17.103 1.102 1.00 0.00 H new ATOM 1213 N ASP A 84 14.805 14.459 3.501 1.00 0.00 N ATOM 1214 CA ASP A 84 14.802 14.560 4.950 1.00 0.00 C ATOM 1215 C ASP A 84 13.463 15.139 5.413 1.00 0.00 C ATOM 1216 O ASP A 84 12.701 14.470 6.109 1.00 0.00 O ATOM 1217 CB ASP A 84 15.914 15.489 5.441 1.00 0.00 C ATOM 1218 CG ASP A 84 16.707 14.970 6.641 1.00 0.00 C ATOM 1219 OD1 ASP A 84 16.715 13.734 6.825 1.00 0.00 O ATOM 1220 OD2 ASP A 84 17.288 15.821 7.349 1.00 0.00 O ATOM 0 H ASP A 84 15.658 14.794 3.052 1.00 0.00 H new ATOM 0 HA ASP A 84 14.961 13.562 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.606 15.670 4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.474 16.451 5.704 1.00 0.00 H new ATOM 1225 N THR A 85 13.218 16.377 5.008 1.00 0.00 N ATOM 1226 CA THR A 85 11.985 17.053 5.373 1.00 0.00 C ATOM 1227 C THR A 85 10.775 16.267 4.865 1.00 0.00 C ATOM 1228 O THR A 85 9.861 15.965 5.631 1.00 0.00 O ATOM 1229 CB THR A 85 12.052 18.482 4.830 1.00 0.00 C ATOM 1230 OG1 THR A 85 10.932 19.132 5.425 1.00 0.00 O ATOM 1231 CG2 THR A 85 11.770 18.553 3.328 1.00 0.00 C ATOM 0 H THR A 85 13.852 16.929 4.431 1.00 0.00 H new ATOM 0 HA THR A 85 11.868 17.105 6.455 1.00 0.00 H new ATOM 0 HB THR A 85 13.037 18.901 5.033 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.900 20.065 5.128 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.830 19.589 2.995 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.507 17.956 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.772 18.165 3.126 1.00 0.00 H new ATOM 1239 N CYS A 86 10.809 15.957 3.577 1.00 0.00 N ATOM 1240 CA CYS A 86 9.726 15.211 2.958 1.00 0.00 C ATOM 1241 C CYS A 86 9.384 14.023 3.860 1.00 0.00 C ATOM 1242 O CYS A 86 8.281 13.946 4.399 1.00 0.00 O ATOM 1243 CB CYS A 86 10.085 14.766 1.539 1.00 0.00 C ATOM 1244 SG CYS A 86 8.691 14.071 0.578 1.00 0.00 S ATOM 0 H CYS A 86 11.569 16.209 2.945 1.00 0.00 H new ATOM 0 HA CYS A 86 8.850 15.852 2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 86 10.492 15.620 0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 86 10.877 14.019 1.597 1.00 0.00 H new ATOM 1249 N ARG A 87 10.351 13.128 3.997 1.00 0.00 N ATOM 1250 CA ARG A 87 10.166 11.947 4.824 1.00 0.00 C ATOM 1251 C ARG A 87 9.372 12.301 6.083 1.00 0.00 C ATOM 1252 O ARG A 87 8.453 11.578 6.465 1.00 0.00 O ATOM 1253 CB ARG A 87 11.512 11.343 5.230 1.00 0.00 C ATOM 1254 CG ARG A 87 12.174 10.634 4.048 1.00 0.00 C ATOM 1255 CD ARG A 87 13.124 9.536 4.529 1.00 0.00 C ATOM 1256 NE ARG A 87 12.366 8.494 5.256 1.00 0.00 N ATOM 1257 CZ ARG A 87 12.897 7.340 5.686 1.00 0.00 C ATOM 1258 NH1 ARG A 87 14.191 7.075 5.464 1.00 0.00 N ATOM 1259 NH2 ARG A 87 12.133 6.453 6.338 1.00 0.00 N ATOM 0 H ARG A 87 11.265 13.197 3.549 1.00 0.00 H new ATOM 0 HA ARG A 87 9.614 11.213 4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.170 12.129 5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.366 10.636 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.409 10.201 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.724 11.358 3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.642 9.094 3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.887 9.963 5.180 1.00 0.00 H new ATOM 0 HE ARG A 87 11.378 8.664 5.442 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.772 7.751 4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.595 6.197 5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.148 6.656 6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.537 5.575 6.665 1.00 0.00 H new ATOM 1273 N ALA A 88 9.756 13.412 6.694 1.00 0.00 N ATOM 1274 CA ALA A 88 9.092 13.870 7.902 1.00 0.00 C ATOM 1275 C ALA A 88 7.650 14.259 7.570 1.00 0.00 C ATOM 1276 O ALA A 88 6.709 13.731 8.160 1.00 0.00 O ATOM 1277 CB ALA A 88 9.883 15.029 8.512 1.00 0.00 C ATOM 0 H ALA A 88 10.519 14.009 6.375 1.00 0.00 H new ATOM 0 HA ALA A 88 9.056 13.074 8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.384 15.372 9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.890 14.693 8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.938 15.849 7.796 1.00 0.00 H new ATOM 1283 N CYS A 89 7.522 15.180 6.625 1.00 0.00 N ATOM 1284 CA CYS A 89 6.211 15.646 6.207 1.00 0.00 C ATOM 1285 C CYS A 89 5.309 14.427 6.005 1.00 0.00 C ATOM 1286 O CYS A 89 4.142 14.442 6.393 1.00 0.00 O ATOM 1287 CB CYS A 89 6.293 16.510 4.947 1.00 0.00 C ATOM 1288 SG CYS A 89 4.723 17.319 4.468 1.00 0.00 S ATOM 0 H CYS A 89 8.305 15.616 6.137 1.00 0.00 H new ATOM 0 HA CYS A 89 5.787 16.286 6.980 1.00 0.00 H new ATOM 0 HB2 CYS A 89 7.050 17.279 5.100 1.00 0.00 H new ATOM 0 HB3 CYS A 89 6.633 15.888 4.119 1.00 0.00 H new ATOM 1293 N MET A 90 5.885 13.399 5.398 1.00 0.00 N ATOM 1294 CA MET A 90 5.148 12.174 5.139 1.00 0.00 C ATOM 1295 C MET A 90 4.796 11.460 6.446 1.00 0.00 C ATOM 1296 O MET A 90 3.621 11.282 6.763 1.00 0.00 O ATOM 1297 CB MET A 90 5.991 11.247 4.261 1.00 0.00 C ATOM 1298 CG MET A 90 6.155 11.824 2.854 1.00 0.00 C ATOM 1299 SD MET A 90 6.541 10.519 1.699 1.00 0.00 S ATOM 1300 CE MET A 90 4.892 10.008 1.245 1.00 0.00 C ATOM 0 H MET A 90 6.854 13.390 5.078 1.00 0.00 H new ATOM 0 HA MET A 90 4.221 12.431 4.626 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.971 11.102 4.715 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.519 10.266 4.203 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.238 12.330 2.551 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.948 12.572 2.849 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.926 9.469 0.298 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.487 9.357 2.019 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.255 10.886 1.140 1.00 0.00 H new ATOM 1310 N LYS A 91 5.836 11.070 7.168 1.00 0.00 N ATOM 1311 CA LYS A 91 5.651 10.380 8.433 1.00 0.00 C ATOM 1312 C LYS A 91 4.619 11.133 9.275 1.00 0.00 C ATOM 1313 O LYS A 91 3.911 10.530 10.080 1.00 0.00 O ATOM 1314 CB LYS A 91 6.995 10.184 9.138 1.00 0.00 C ATOM 1315 CG LYS A 91 6.802 9.996 10.644 1.00 0.00 C ATOM 1316 CD LYS A 91 8.098 9.526 11.308 1.00 0.00 C ATOM 1317 CE LYS A 91 7.821 8.930 12.690 1.00 0.00 C ATOM 1318 NZ LYS A 91 9.069 8.407 13.289 1.00 0.00 N ATOM 0 H LYS A 91 6.809 11.219 6.901 1.00 0.00 H new ATOM 0 HA LYS A 91 5.256 9.378 8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.505 9.315 8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.635 11.047 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.479 10.935 11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.011 9.268 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.585 8.782 10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.788 10.365 11.401 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.389 9.691 13.341 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.087 8.128 12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.863 8.006 14.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.465 7.667 12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.758 9.180 13.387 1.00 0.00 H new ATOM 1332 N THR A 92 4.567 12.439 9.060 1.00 0.00 N ATOM 1333 CA THR A 92 3.634 13.281 9.789 1.00 0.00 C ATOM 1334 C THR A 92 2.193 12.939 9.401 1.00 0.00 C ATOM 1335 O THR A 92 1.372 12.630 10.263 1.00 0.00 O ATOM 1336 CB THR A 92 4.005 14.741 9.521 1.00 0.00 C ATOM 1337 OG1 THR A 92 5.389 14.813 9.854 1.00 0.00 O ATOM 1338 CG2 THR A 92 3.335 15.705 10.502 1.00 0.00 C ATOM 0 H THR A 92 5.156 12.935 8.391 1.00 0.00 H new ATOM 0 HA THR A 92 3.699 13.106 10.863 1.00 0.00 H new ATOM 0 HB THR A 92 3.723 15.006 8.502 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.926 14.733 9.038 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.632 16.727 10.268 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.252 15.614 10.420 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.643 15.462 11.519 1.00 0.00 H new ATOM 1346 N ASN A 93 1.931 13.007 8.104 1.00 0.00 N ATOM 1347 CA ASN A 93 0.605 12.709 7.592 1.00 0.00 C ATOM 1348 C ASN A 93 0.679 11.486 6.676 1.00 0.00 C ATOM 1349 O ASN A 93 0.119 10.437 6.988 1.00 0.00 O ATOM 1350 CB ASN A 93 0.054 13.880 6.775 1.00 0.00 C ATOM 1351 CG ASN A 93 0.337 15.214 7.469 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -0.430 15.693 8.288 1.00 0.00 O ATOM 1353 ND2 ASN A 93 1.479 15.785 7.096 1.00 0.00 N ATOM 0 H ASN A 93 2.615 13.264 7.392 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.051 12.523 8.443 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.505 13.880 5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.020 13.758 6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.759 16.678 7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.075 15.330 6.405 1.00 0.00 H new ATOM 1360 N CYS A 94 1.376 11.663 5.562 1.00 0.00 N ATOM 1361 CA CYS A 94 1.531 10.587 4.598 1.00 0.00 C ATOM 1362 C CYS A 94 2.453 9.527 5.205 1.00 0.00 C ATOM 1363 O CYS A 94 3.582 9.349 4.753 1.00 0.00 O ATOM 1364 CB CYS A 94 2.058 11.101 3.257 1.00 0.00 C ATOM 1365 SG CYS A 94 1.353 12.701 2.718 1.00 0.00 S ATOM 0 H CYS A 94 1.839 12.535 5.306 1.00 0.00 H new ATOM 0 HA CYS A 94 0.559 10.143 4.386 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.141 11.201 3.323 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.853 10.353 2.491 1.00 0.00 H new ATOM 1370 N LYS A 95 1.935 8.851 6.220 1.00 0.00 N ATOM 1371 CA LYS A 95 2.697 7.813 6.894 1.00 0.00 C ATOM 1372 C LYS A 95 3.463 6.992 5.854 1.00 0.00 C ATOM 1373 O LYS A 95 2.893 6.569 4.850 1.00 0.00 O ATOM 1374 CB LYS A 95 1.784 6.973 7.789 1.00 0.00 C ATOM 1375 CG LYS A 95 2.194 7.095 9.259 1.00 0.00 C ATOM 1376 CD LYS A 95 1.338 6.187 10.144 1.00 0.00 C ATOM 1377 CE LYS A 95 2.130 5.702 11.360 1.00 0.00 C ATOM 1378 NZ LYS A 95 1.861 6.566 12.531 1.00 0.00 N ATOM 0 H LYS A 95 0.997 9.002 6.592 1.00 0.00 H new ATOM 0 HA LYS A 95 3.437 8.256 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.751 7.298 7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.828 5.928 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.246 6.831 9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.089 8.130 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.451 6.727 10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.992 5.330 9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.859 4.672 11.591 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.196 5.708 11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.406 6.223 13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.142 7.543 12.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.846 6.539 12.756 1.00 0.00 H new