USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 443 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 44 CYS SG : rot 142:sc= 0.784 USER MOD Set 1.2: A 47 CYS SG : rot -46:sc= 0.425 USER MOD Set 1.3: A 71 CYS SG : rot -136:sc= 0.542 USER MOD Set 1.4: A 74 CYS SG : rot 103:sc= 0.0552 USER MOD Set 2.1: A 29 CYS SG : rot 165:sc= 0.658 USER MOD Set 2.2: A 32 CYS SG : rot -59:sc= 0.747 USER MOD Set 2.3: A 52 HIS : no HD1:sc= -1.21 X(o=0.64,f=0.14) USER MOD Set 2.4: A 55 CYS SG : rot 49:sc= 0.442 USER MOD Set 3.1: A 13 CYS SG : rot 170:sc= 0.527 USER MOD Set 3.2: A 16 CYS SG : rot -53:sc= 0.646 USER MOD Set 3.3: A 24 CYS SG : rot -164:sc= 0.155 USER MOD Set 3.4: A 27 CYS SG : rot 140:sc= 0.961 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0.051 (180deg=-0.0327) USER MOD Single : A 25 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-3.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 107:sc= 1.01 USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0952) USER MOD Single : A 36 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-0.94) USER MOD Single : A 39 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.3) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.379 F(o=-1.1,f=-0.38) USER MOD Single : A 48 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.6) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.745 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0238 K(o=-0.024,f=-1.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -47:sc= 0.00246 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 13 -9.949 11.628 10.864 1.00 0.00 N ATOM 146 CA CYS A 13 -9.265 10.855 11.894 1.00 0.00 C ATOM 147 C CYS A 13 -9.283 11.593 13.229 1.00 0.00 C ATOM 148 O CYS A 13 -8.856 12.744 13.320 1.00 0.00 O ATOM 149 CB CYS A 13 -7.821 10.573 11.475 1.00 0.00 C ATOM 150 SG CYS A 13 -6.998 9.283 12.464 1.00 0.00 S ATOM 0 HA CYS A 13 -9.793 9.909 12.014 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.810 10.274 10.427 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.245 11.496 11.550 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.868 8.964 11.906 1.00 0.00 H new ATOM 155 N ASP A 14 -9.782 10.923 14.262 1.00 0.00 N ATOM 156 CA ASP A 14 -9.855 11.514 15.594 1.00 0.00 C ATOM 157 C ASP A 14 -8.588 11.217 16.390 1.00 0.00 C ATOM 158 O ASP A 14 -8.217 11.972 17.290 1.00 0.00 O ATOM 159 CB ASP A 14 -11.079 10.985 16.343 1.00 0.00 C ATOM 160 CG ASP A 14 -12.139 12.050 16.545 1.00 0.00 C ATOM 161 OD1 ASP A 14 -11.948 12.917 17.423 1.00 0.00 O ATOM 162 OD2 ASP A 14 -13.158 12.016 15.825 1.00 0.00 O ATOM 0 H ASP A 14 -10.142 9.970 14.203 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.947 12.594 15.481 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.508 10.150 15.789 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.768 10.597 17.313 1.00 0.00 H new ATOM 167 N LEU A 15 -7.929 10.114 16.054 1.00 0.00 N ATOM 168 CA LEU A 15 -6.703 9.716 16.739 1.00 0.00 C ATOM 169 C LEU A 15 -5.679 10.846 16.721 1.00 0.00 C ATOM 170 O LEU A 15 -4.933 11.038 17.682 1.00 0.00 O ATOM 171 CB LEU A 15 -6.113 8.466 16.084 1.00 0.00 C ATOM 172 CG LEU A 15 -6.898 7.170 16.283 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.540 6.729 14.976 1.00 0.00 C ATOM 174 CD2 LEU A 15 -5.993 6.076 16.830 1.00 0.00 C ATOM 0 H LEU A 15 -8.222 9.479 15.312 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.951 9.492 17.777 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.020 8.650 15.014 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.104 8.319 16.471 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.690 7.355 17.009 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.095 5.805 15.137 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.221 7.505 14.625 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.765 6.562 14.228 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.569 5.161 16.965 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.179 5.892 16.128 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.581 6.390 17.789 1.00 0.00 H new ATOM 186 N CYS A 16 -5.649 11.594 15.623 1.00 0.00 N ATOM 187 CA CYS A 16 -4.718 12.706 15.479 1.00 0.00 C ATOM 188 C CYS A 16 -5.465 14.009 15.205 1.00 0.00 C ATOM 189 O CYS A 16 -5.066 15.075 15.671 1.00 0.00 O ATOM 190 CB CYS A 16 -3.727 12.426 14.348 1.00 0.00 C ATOM 191 SG CYS A 16 -4.511 12.016 12.756 1.00 0.00 S ATOM 0 H CYS A 16 -6.260 11.450 14.819 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.170 12.812 16.415 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.090 13.300 14.213 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.078 11.602 14.644 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.353 11.040 12.926 1.00 0.00 H new ATOM 196 N GLY A 17 -6.552 13.913 14.446 1.00 0.00 N ATOM 197 CA GLY A 17 -7.337 15.089 14.123 1.00 0.00 C ATOM 198 C GLY A 17 -7.153 15.533 12.685 1.00 0.00 C ATOM 199 O GLY A 17 -8.018 16.198 12.117 1.00 0.00 O ATOM 0 H GLY A 17 -6.903 13.041 14.049 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.391 14.879 14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.056 15.904 14.790 1.00 0.00 H new ATOM 203 N GLY A 18 -6.020 15.165 12.095 1.00 0.00 N ATOM 204 CA GLY A 18 -5.744 15.540 10.720 1.00 0.00 C ATOM 205 C GLY A 18 -4.627 16.558 10.610 1.00 0.00 C ATOM 206 O GLY A 18 -4.787 17.599 9.972 1.00 0.00 O ATOM 0 H GLY A 18 -5.288 14.614 12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.477 14.650 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.649 15.948 10.269 1.00 0.00 H new ATOM 210 N ASP A 19 -3.492 16.259 11.233 1.00 0.00 N ATOM 211 CA ASP A 19 -2.343 17.157 11.203 1.00 0.00 C ATOM 212 C ASP A 19 -1.038 16.370 11.258 1.00 0.00 C ATOM 213 O ASP A 19 -0.981 15.248 11.761 1.00 0.00 O ATOM 214 CB ASP A 19 -2.409 18.143 12.370 1.00 0.00 C ATOM 215 CG ASP A 19 -2.798 19.540 11.928 1.00 0.00 C ATOM 216 OD1 ASP A 19 -2.278 20.000 10.889 1.00 0.00 O ATOM 217 OD2 ASP A 19 -3.623 20.172 12.619 1.00 0.00 O ATOM 0 H ASP A 19 -3.343 15.402 11.765 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.371 17.713 10.266 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.130 17.784 13.105 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.439 18.179 12.866 1.00 0.00 H new ATOM 222 N PRO A 20 0.038 16.971 10.728 1.00 0.00 N ATOM 223 CA PRO A 20 1.363 16.344 10.703 1.00 0.00 C ATOM 224 C PRO A 20 1.982 16.244 12.093 1.00 0.00 C ATOM 225 O PRO A 20 2.474 15.188 12.488 1.00 0.00 O ATOM 226 CB PRO A 20 2.184 17.285 9.818 1.00 0.00 C ATOM 227 CG PRO A 20 1.508 18.607 9.940 1.00 0.00 C ATOM 228 CD PRO A 20 0.044 18.308 10.111 1.00 0.00 C ATOM 0 HA PRO A 20 1.323 15.319 10.335 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.220 17.338 10.152 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.199 16.942 8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.894 19.166 10.792 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.681 19.217 9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.445 19.046 10.747 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.481 18.312 9.156 1.00 0.00 H new ATOM 236 N GLU A 21 1.954 17.350 12.830 1.00 0.00 N ATOM 237 CA GLU A 21 2.514 17.386 14.176 1.00 0.00 C ATOM 238 C GLU A 21 1.892 16.303 15.052 1.00 0.00 C ATOM 239 O GLU A 21 2.596 15.472 15.626 1.00 0.00 O ATOM 240 CB GLU A 21 2.291 18.761 14.809 1.00 0.00 C ATOM 241 CG GLU A 21 3.050 19.880 14.116 1.00 0.00 C ATOM 242 CD GLU A 21 4.545 19.810 14.362 1.00 0.00 C ATOM 243 OE1 GLU A 21 4.982 18.905 15.102 1.00 0.00 O ATOM 244 OE2 GLU A 21 5.277 20.661 13.814 1.00 0.00 O ATOM 0 H GLU A 21 1.550 18.233 12.518 1.00 0.00 H new ATOM 0 HA GLU A 21 3.585 17.199 14.102 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.226 18.991 14.792 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.592 18.723 15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.859 19.834 13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.673 20.841 14.466 1.00 0.00 H new ATOM 251 N LYS A 22 0.567 16.319 15.151 1.00 0.00 N ATOM 252 CA LYS A 22 -0.153 15.339 15.956 1.00 0.00 C ATOM 253 C LYS A 22 0.139 13.921 15.477 1.00 0.00 C ATOM 254 O LYS A 22 -0.456 13.447 14.509 1.00 0.00 O ATOM 255 CB LYS A 22 -1.658 15.609 15.900 1.00 0.00 C ATOM 256 CG LYS A 22 -2.027 17.058 16.167 1.00 0.00 C ATOM 257 CD LYS A 22 -3.060 17.175 17.276 1.00 0.00 C ATOM 258 CE LYS A 22 -3.002 18.537 17.950 1.00 0.00 C ATOM 259 NZ LYS A 22 -2.021 18.561 19.070 1.00 0.00 N ATOM 0 H LYS A 22 -0.031 17.001 14.683 1.00 0.00 H new ATOM 0 HA LYS A 22 0.188 15.432 16.987 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.034 15.322 14.918 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.160 14.975 16.631 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.133 17.618 16.441 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.418 17.509 15.255 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.057 17.013 16.865 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.890 16.394 18.017 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.732 19.295 17.215 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.991 18.798 18.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.012 19.507 19.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.292 17.856 19.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.073 18.338 18.706 1.00 0.00 H new ATOM 273 N LYS A 23 1.057 13.247 16.161 1.00 0.00 N ATOM 274 CA LYS A 23 1.427 11.882 15.807 1.00 0.00 C ATOM 275 C LYS A 23 0.206 10.967 15.824 1.00 0.00 C ATOM 276 O LYS A 23 -0.717 11.161 16.614 1.00 0.00 O ATOM 277 CB LYS A 23 2.488 11.352 16.774 1.00 0.00 C ATOM 278 CG LYS A 23 3.351 10.250 16.185 1.00 0.00 C ATOM 279 CD LYS A 23 3.272 8.978 17.012 1.00 0.00 C ATOM 280 CE LYS A 23 4.077 9.098 18.297 1.00 0.00 C ATOM 281 NZ LYS A 23 5.542 9.017 18.044 1.00 0.00 N ATOM 0 H LYS A 23 1.559 13.624 16.965 1.00 0.00 H new ATOM 0 HA LYS A 23 1.838 11.893 14.798 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.129 12.177 17.085 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.995 10.976 17.671 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.030 10.042 15.164 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.386 10.587 16.132 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.231 8.763 17.252 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.644 8.138 16.426 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.845 10.045 18.784 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.783 8.305 18.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.043 8.881 18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.741 8.215 17.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.866 9.898 17.597 1.00 0.00 H new ATOM 295 N CYS A 24 0.210 9.968 14.948 1.00 0.00 N ATOM 296 CA CYS A 24 -0.896 9.021 14.862 1.00 0.00 C ATOM 297 C CYS A 24 -0.379 7.590 14.750 1.00 0.00 C ATOM 298 O CYS A 24 0.762 7.359 14.348 1.00 0.00 O ATOM 299 CB CYS A 24 -1.784 9.350 13.661 1.00 0.00 C ATOM 300 SG CYS A 24 -3.470 8.669 13.774 1.00 0.00 S ATOM 0 H CYS A 24 0.967 9.793 14.287 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.486 9.105 15.775 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.847 10.433 13.556 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.310 8.969 12.757 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.030 8.700 12.601 1.00 0.00 H new ATOM 305 N HIS A 25 -1.227 6.631 15.109 1.00 0.00 N ATOM 306 CA HIS A 25 -0.857 5.221 15.048 1.00 0.00 C ATOM 307 C HIS A 25 -1.485 4.546 13.833 1.00 0.00 C ATOM 308 O HIS A 25 -0.945 3.576 13.301 1.00 0.00 O ATOM 309 CB HIS A 25 -1.290 4.502 16.327 1.00 0.00 C ATOM 310 CG HIS A 25 -0.151 4.153 17.233 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.025 3.591 16.782 1.00 0.00 N ATOM 312 CD2 HIS A 25 -0.011 4.290 18.573 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.838 3.396 17.805 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.234 3.812 18.903 1.00 0.00 N ATOM 0 H HIS A 25 -2.174 6.804 15.445 1.00 0.00 H new ATOM 0 HA HIS A 25 0.227 5.159 14.955 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.994 5.134 16.869 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.822 3.590 16.058 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.742 4.699 19.255 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.829 2.969 17.752 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.628 3.783 19.843 1.00 0.00 H new ATOM 322 N SER A 26 -2.629 5.066 13.400 1.00 0.00 N ATOM 323 CA SER A 26 -3.334 4.510 12.250 1.00 0.00 C ATOM 324 C SER A 26 -2.799 5.101 10.949 1.00 0.00 C ATOM 325 O SER A 26 -2.366 4.373 10.055 1.00 0.00 O ATOM 326 CB SER A 26 -4.835 4.779 12.366 1.00 0.00 C ATOM 327 OG SER A 26 -5.528 4.307 11.224 1.00 0.00 O ATOM 0 H SER A 26 -3.087 5.871 13.827 1.00 0.00 H new ATOM 0 HA SER A 26 -3.166 3.433 12.237 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.227 4.293 13.259 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.008 5.849 12.484 1.00 0.00 H new ATOM 0 HG SER A 26 -6.486 4.490 11.324 1.00 0.00 H new ATOM 333 N CYS A 27 -2.833 6.425 10.849 1.00 0.00 N ATOM 334 CA CYS A 27 -2.354 7.116 9.658 1.00 0.00 C ATOM 335 C CYS A 27 -0.915 6.718 9.341 1.00 0.00 C ATOM 336 O CYS A 27 -0.485 6.771 8.189 1.00 0.00 O ATOM 337 CB CYS A 27 -2.444 8.631 9.851 1.00 0.00 C ATOM 338 SG CYS A 27 -4.132 9.240 10.168 1.00 0.00 S ATOM 0 H CYS A 27 -3.188 7.042 11.580 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.987 6.825 8.820 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.803 8.919 10.684 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.052 9.124 8.961 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.094 10.176 11.070 1.00 0.00 H new ATOM 343 N SER A 28 -0.176 6.319 10.371 1.00 0.00 N ATOM 344 CA SER A 28 1.215 5.915 10.204 1.00 0.00 C ATOM 345 C SER A 28 1.453 4.529 10.796 1.00 0.00 C ATOM 346 O SER A 28 0.510 3.827 11.162 1.00 0.00 O ATOM 347 CB SER A 28 2.147 6.932 10.865 1.00 0.00 C ATOM 348 OG SER A 28 2.247 6.700 12.259 1.00 0.00 O ATOM 0 H SER A 28 -0.518 6.267 11.331 1.00 0.00 H new ATOM 0 HA SER A 28 1.431 5.877 9.136 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.136 6.872 10.411 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.775 7.941 10.687 1.00 0.00 H new ATOM 0 HG SER A 28 3.123 6.310 12.464 1.00 0.00 H new ATOM 354 N CYS A 29 2.721 4.142 10.887 1.00 0.00 N ATOM 355 CA CYS A 29 3.086 2.841 11.434 1.00 0.00 C ATOM 356 C CYS A 29 2.460 2.634 12.810 1.00 0.00 C ATOM 357 O CYS A 29 2.611 3.466 13.704 1.00 0.00 O ATOM 358 CB CYS A 29 4.608 2.714 11.530 1.00 0.00 C ATOM 359 SG CYS A 29 5.192 1.024 11.879 1.00 0.00 S ATOM 0 H CYS A 29 3.513 4.711 10.589 1.00 0.00 H new ATOM 0 HA CYS A 29 2.705 2.072 10.762 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.050 3.054 10.593 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.969 3.381 12.313 1.00 0.00 H new ATOM 0 HG CYS A 29 6.465 0.944 11.626 1.00 0.00 H new ATOM 364 N ARG A 30 1.756 1.518 12.972 1.00 0.00 N ATOM 365 CA ARG A 30 1.105 1.202 14.237 1.00 0.00 C ATOM 366 C ARG A 30 2.002 0.324 15.105 1.00 0.00 C ATOM 367 O ARG A 30 1.819 0.241 16.320 1.00 0.00 O ATOM 368 CB ARG A 30 -0.229 0.496 13.987 1.00 0.00 C ATOM 369 CG ARG A 30 -1.294 0.821 15.022 1.00 0.00 C ATOM 370 CD ARG A 30 -2.572 1.322 14.368 1.00 0.00 C ATOM 371 NE ARG A 30 -3.764 0.762 14.997 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.977 0.821 14.456 1.00 0.00 C ATOM 373 NH1 ARG A 30 -5.155 1.413 13.283 1.00 0.00 N ATOM 374 NH2 ARG A 30 -6.013 0.287 15.090 1.00 0.00 N ATOM 0 H ARG A 30 1.622 0.818 12.242 1.00 0.00 H new ATOM 0 HA ARG A 30 0.920 2.137 14.765 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.598 0.773 12.999 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.063 -0.581 13.974 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.511 -0.068 15.614 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.916 1.577 15.710 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.608 2.410 14.428 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.564 1.061 13.310 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.661 0.300 15.901 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.360 1.824 12.794 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.087 1.457 12.870 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.879 -0.169 15.993 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.944 0.332 14.675 1.00 0.00 H new ATOM 388 N VAL A 31 2.973 -0.329 14.474 1.00 0.00 N ATOM 389 CA VAL A 31 3.899 -1.200 15.187 1.00 0.00 C ATOM 390 C VAL A 31 4.826 -0.393 16.090 1.00 0.00 C ATOM 391 O VAL A 31 4.678 -0.397 17.312 1.00 0.00 O ATOM 392 CB VAL A 31 4.749 -2.035 14.212 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.742 -2.899 14.974 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.856 -2.890 13.326 1.00 0.00 C ATOM 0 H VAL A 31 3.138 -0.271 13.469 1.00 0.00 H new ATOM 0 HA VAL A 31 3.296 -1.872 15.797 1.00 0.00 H new ATOM 0 HB VAL A 31 5.312 -1.354 13.573 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.334 -3.482 14.268 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.403 -2.262 15.562 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.202 -3.573 15.639 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.473 -3.474 12.643 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.265 -3.563 13.947 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.189 -2.246 12.752 1.00 0.00 H new ATOM 404 N CYS A 32 5.783 0.298 15.480 1.00 0.00 N ATOM 405 CA CYS A 32 6.736 1.110 16.227 1.00 0.00 C ATOM 406 C CYS A 32 6.119 2.450 16.618 1.00 0.00 C ATOM 407 O CYS A 32 6.529 3.071 17.597 1.00 0.00 O ATOM 408 CB CYS A 32 8.001 1.340 15.398 1.00 0.00 C ATOM 409 SG CYS A 32 7.776 2.485 13.999 1.00 0.00 S ATOM 0 H CYS A 32 5.919 0.312 14.469 1.00 0.00 H new ATOM 0 HA CYS A 32 7.000 0.572 17.138 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.784 1.729 16.049 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.351 0.381 15.016 1.00 0.00 H new ATOM 0 HG CYS A 32 6.863 2.019 13.199 1.00 0.00 H new ATOM 414 N GLY A 33 5.131 2.889 15.844 1.00 0.00 N ATOM 415 CA GLY A 33 4.474 4.152 16.125 1.00 0.00 C ATOM 416 C GLY A 33 5.204 5.333 15.517 1.00 0.00 C ATOM 417 O GLY A 33 5.267 6.407 16.114 1.00 0.00 O ATOM 0 H GLY A 33 4.774 2.393 15.028 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.455 4.121 15.740 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.403 4.289 17.204 1.00 0.00 H new ATOM 421 N GLY A 34 5.759 5.134 14.325 1.00 0.00 N ATOM 422 CA GLY A 34 6.482 6.200 13.657 1.00 0.00 C ATOM 423 C GLY A 34 5.660 6.867 12.572 1.00 0.00 C ATOM 424 O GLY A 34 4.803 6.234 11.954 1.00 0.00 O ATOM 0 H GLY A 34 5.721 4.254 13.811 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.782 6.947 14.392 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.396 5.797 13.220 1.00 0.00 H new ATOM 428 N LYS A 35 5.920 8.149 12.338 1.00 0.00 N ATOM 429 CA LYS A 35 5.198 8.904 11.321 1.00 0.00 C ATOM 430 C LYS A 35 6.162 9.510 10.307 1.00 0.00 C ATOM 431 O LYS A 35 6.001 10.659 9.892 1.00 0.00 O ATOM 432 CB LYS A 35 4.364 10.009 11.972 1.00 0.00 C ATOM 433 CG LYS A 35 3.267 10.553 11.074 1.00 0.00 C ATOM 434 CD LYS A 35 2.118 11.131 11.883 1.00 0.00 C ATOM 435 CE LYS A 35 0.863 11.285 11.038 1.00 0.00 C ATOM 436 NZ LYS A 35 0.437 12.709 10.932 1.00 0.00 N ATOM 0 H LYS A 35 6.626 8.687 12.840 1.00 0.00 H new ATOM 0 HA LYS A 35 4.533 8.217 10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.915 9.622 12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.023 10.827 12.262 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.678 11.324 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.895 9.756 10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.908 10.482 12.733 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.408 12.101 12.286 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.045 10.885 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.056 10.696 11.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.573 12.752 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.596 13.187 11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.991 13.183 10.190 1.00 0.00 H new ATOM 450 N HIS A 36 7.164 8.732 9.910 1.00 0.00 N ATOM 451 CA HIS A 36 8.153 9.193 8.943 1.00 0.00 C ATOM 452 C HIS A 36 8.278 8.209 7.783 1.00 0.00 C ATOM 453 O HIS A 36 7.676 7.136 7.800 1.00 0.00 O ATOM 454 CB HIS A 36 9.512 9.376 9.619 1.00 0.00 C ATOM 455 CG HIS A 36 9.952 8.185 10.413 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.399 7.846 11.630 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.897 7.250 10.157 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.985 6.755 12.089 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.898 6.373 11.214 1.00 0.00 N ATOM 0 H HIS A 36 7.312 7.779 10.243 1.00 0.00 H new ATOM 0 HA HIS A 36 7.819 10.153 8.549 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.261 9.591 8.857 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.467 10.244 10.277 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.532 7.203 9.284 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.757 6.259 13.021 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.505 5.559 11.308 1.00 0.00 H new ATOM 467 N GLU A 37 9.062 8.584 6.777 1.00 0.00 N ATOM 468 CA GLU A 37 9.264 7.735 5.609 1.00 0.00 C ATOM 469 C GLU A 37 7.927 7.299 5.016 1.00 0.00 C ATOM 470 O GLU A 37 7.563 6.123 5.038 1.00 0.00 O ATOM 471 CB GLU A 37 10.094 6.505 5.982 1.00 0.00 C ATOM 472 CG GLU A 37 11.576 6.797 6.144 1.00 0.00 C ATOM 473 CD GLU A 37 12.452 5.691 5.589 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.001 4.526 5.574 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.590 5.990 5.168 1.00 0.00 O ATOM 0 H GLU A 37 9.567 9.470 6.747 1.00 0.00 H new ATOM 0 HA GLU A 37 9.803 8.314 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.711 6.087 6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.964 5.743 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.815 7.733 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.801 6.938 7.201 1.00 0.00 H new ATOM 482 N PRO A 38 7.176 8.270 4.474 1.00 0.00 N ATOM 483 CA PRO A 38 5.868 8.012 3.865 1.00 0.00 C ATOM 484 C PRO A 38 5.980 7.234 2.558 1.00 0.00 C ATOM 485 O PRO A 38 5.001 6.663 2.079 1.00 0.00 O ATOM 486 CB PRO A 38 5.314 9.415 3.605 1.00 0.00 C ATOM 487 CG PRO A 38 6.520 10.282 3.485 1.00 0.00 C ATOM 488 CD PRO A 38 7.547 9.694 4.413 1.00 0.00 C ATOM 0 HA PRO A 38 5.234 7.400 4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.715 9.442 2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.670 9.744 4.420 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.887 10.301 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.290 11.311 3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.559 9.830 4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.513 10.161 5.397 1.00 0.00 H new ATOM 496 N ASN A 39 7.180 7.215 1.987 1.00 0.00 N ATOM 497 CA ASN A 39 7.420 6.506 0.735 1.00 0.00 C ATOM 498 C ASN A 39 7.552 5.005 0.976 1.00 0.00 C ATOM 499 O ASN A 39 7.190 4.195 0.124 1.00 0.00 O ATOM 500 CB ASN A 39 8.684 7.039 0.057 1.00 0.00 C ATOM 501 CG ASN A 39 9.951 6.506 0.697 1.00 0.00 C ATOM 502 OD1 ASN A 39 10.180 6.688 1.893 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.782 5.843 -0.099 1.00 0.00 N ATOM 0 H ASN A 39 8.001 7.682 2.371 1.00 0.00 H new ATOM 0 HA ASN A 39 6.565 6.677 0.080 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.670 6.765 -0.998 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.687 8.128 0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.651 5.461 0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.552 5.716 -1.084 1.00 0.00 H new ATOM 510 N MET A 40 8.072 4.643 2.144 1.00 0.00 N ATOM 511 CA MET A 40 8.251 3.240 2.499 1.00 0.00 C ATOM 512 C MET A 40 7.102 2.750 3.374 1.00 0.00 C ATOM 513 O MET A 40 7.261 1.811 4.154 1.00 0.00 O ATOM 514 CB MET A 40 9.582 3.041 3.226 1.00 0.00 C ATOM 515 CG MET A 40 10.794 3.409 2.387 1.00 0.00 C ATOM 516 SD MET A 40 11.569 1.974 1.618 1.00 0.00 S ATOM 517 CE MET A 40 12.951 1.701 2.725 1.00 0.00 C ATOM 0 H MET A 40 8.377 5.302 2.861 1.00 0.00 H new ATOM 0 HA MET A 40 8.258 2.656 1.578 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.583 3.643 4.135 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.666 1.999 3.533 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.494 4.114 1.612 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.525 3.918 3.015 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.529 0.843 2.381 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.588 2.586 2.737 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.579 1.508 3.731 1.00 0.00 H new ATOM 527 N GLN A 41 5.945 3.391 3.239 1.00 0.00 N ATOM 528 CA GLN A 41 4.771 3.020 4.018 1.00 0.00 C ATOM 529 C GLN A 41 3.766 2.259 3.160 1.00 0.00 C ATOM 530 O GLN A 41 3.393 2.708 2.075 1.00 0.00 O ATOM 531 CB GLN A 41 4.112 4.266 4.612 1.00 0.00 C ATOM 532 CG GLN A 41 4.592 4.599 6.015 1.00 0.00 C ATOM 533 CD GLN A 41 4.251 6.017 6.428 1.00 0.00 C ATOM 534 OE1 GLN A 41 3.002 6.413 6.213 1.00 0.00 O flip ATOM 535 NE2 GLN A 41 5.101 6.750 6.935 1.00 0.00 N flip ATOM 0 H GLN A 41 5.796 4.170 2.597 1.00 0.00 H new ATOM 0 HA GLN A 41 5.096 2.368 4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.308 5.116 3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.032 4.121 4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.145 3.901 6.723 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.672 4.459 6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.050 6.405 7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.856 7.702 7.208 1.00 0.00 H new ATOM 544 N LEU A 42 3.330 1.104 3.652 1.00 0.00 N ATOM 545 CA LEU A 42 2.368 0.279 2.929 1.00 0.00 C ATOM 546 C LEU A 42 0.958 0.482 3.476 1.00 0.00 C ATOM 547 O LEU A 42 0.731 0.398 4.684 1.00 0.00 O ATOM 548 CB LEU A 42 2.757 -1.197 3.026 1.00 0.00 C ATOM 549 CG LEU A 42 4.254 -1.502 2.956 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.511 -2.978 3.215 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.819 -1.090 1.604 1.00 0.00 C ATOM 0 H LEU A 42 3.627 0.718 4.548 1.00 0.00 H new ATOM 0 HA LEU A 42 2.380 0.583 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.369 -1.594 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.258 -1.737 2.221 1.00 0.00 H new ATOM 0 HG LEU A 42 4.759 -0.925 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.582 -3.176 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.142 -3.243 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.993 -3.575 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.885 -1.314 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.308 -1.640 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.669 -0.020 1.457 1.00 0.00 H new ATOM 563 N LEU A 43 0.015 0.747 2.580 1.00 0.00 N ATOM 564 CA LEU A 43 -1.375 0.959 2.971 1.00 0.00 C ATOM 565 C LEU A 43 -2.202 -0.303 2.751 1.00 0.00 C ATOM 566 O LEU A 43 -2.035 -1.000 1.750 1.00 0.00 O ATOM 567 CB LEU A 43 -1.976 2.122 2.180 1.00 0.00 C ATOM 568 CG LEU A 43 -2.531 3.282 3.007 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.772 2.848 3.771 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.471 3.808 3.964 1.00 0.00 C ATOM 0 H LEU A 43 0.187 0.820 1.577 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.395 1.202 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.210 2.514 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.778 1.732 1.553 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.811 4.086 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.152 3.687 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.536 2.519 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.518 2.027 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.883 4.633 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.161 3.009 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.609 4.159 3.396 1.00 0.00 H new ATOM 582 N CYS A 44 -3.095 -0.591 3.692 1.00 0.00 N ATOM 583 CA CYS A 44 -3.950 -1.768 3.601 1.00 0.00 C ATOM 584 C CYS A 44 -5.163 -1.492 2.716 1.00 0.00 C ATOM 585 O CYS A 44 -5.686 -0.378 2.692 1.00 0.00 O ATOM 586 CB CYS A 44 -4.410 -2.199 4.995 1.00 0.00 C ATOM 587 SG CYS A 44 -5.430 -3.709 5.008 1.00 0.00 S ATOM 0 H CYS A 44 -3.245 -0.025 4.527 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.370 -2.574 3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.533 -2.361 5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.978 -1.386 5.446 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.130 -4.426 6.050 1.00 0.00 H new ATOM 592 N ASP A 45 -5.603 -2.514 1.991 1.00 0.00 N ATOM 593 CA ASP A 45 -6.755 -2.384 1.106 1.00 0.00 C ATOM 594 C ASP A 45 -8.029 -2.855 1.799 1.00 0.00 C ATOM 595 O ASP A 45 -8.930 -3.398 1.160 1.00 0.00 O ATOM 596 CB ASP A 45 -6.532 -3.185 -0.178 1.00 0.00 C ATOM 597 CG ASP A 45 -6.837 -2.378 -1.424 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.177 -1.339 -1.635 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.738 -2.784 -2.189 1.00 0.00 O ATOM 0 H ASP A 45 -5.180 -3.442 1.998 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.870 -1.330 0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.498 -3.527 -0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.162 -4.075 -0.162 1.00 0.00 H new ATOM 604 N GLU A 46 -8.097 -2.645 3.110 1.00 0.00 N ATOM 605 CA GLU A 46 -9.260 -3.050 3.889 1.00 0.00 C ATOM 606 C GLU A 46 -9.527 -2.064 5.023 1.00 0.00 C ATOM 607 O GLU A 46 -10.586 -1.438 5.080 1.00 0.00 O ATOM 608 CB GLU A 46 -9.056 -4.455 4.460 1.00 0.00 C ATOM 609 CG GLU A 46 -10.317 -5.063 5.050 1.00 0.00 C ATOM 610 CD GLU A 46 -11.438 -5.179 4.036 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.341 -6.045 3.141 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.413 -4.404 4.136 1.00 0.00 O ATOM 0 H GLU A 46 -7.360 -2.197 3.654 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.124 -3.057 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.683 -5.108 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.287 -4.416 5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.088 -6.052 5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.652 -4.453 5.888 1.00 0.00 H new ATOM 619 N CYS A 47 -8.559 -1.930 5.923 1.00 0.00 N ATOM 620 CA CYS A 47 -8.688 -1.021 7.055 1.00 0.00 C ATOM 621 C CYS A 47 -8.005 0.312 6.763 1.00 0.00 C ATOM 622 O CYS A 47 -8.214 1.297 7.471 1.00 0.00 O ATOM 623 CB CYS A 47 -8.084 -1.651 8.312 1.00 0.00 C ATOM 624 SG CYS A 47 -6.314 -2.056 8.165 1.00 0.00 S ATOM 0 H CYS A 47 -7.676 -2.440 5.890 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.749 -0.837 7.222 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.221 -0.967 9.150 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.635 -2.561 8.550 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.099 -2.656 7.032 1.00 0.00 H new ATOM 629 N ASN A 48 -7.188 0.335 5.715 1.00 0.00 N ATOM 630 CA ASN A 48 -6.474 1.547 5.329 1.00 0.00 C ATOM 631 C ASN A 48 -5.499 1.976 6.422 1.00 0.00 C ATOM 632 O ASN A 48 -5.657 3.036 7.028 1.00 0.00 O ATOM 633 CB ASN A 48 -7.464 2.677 5.041 1.00 0.00 C ATOM 634 CG ASN A 48 -8.612 2.229 4.157 1.00 0.00 C ATOM 635 OD1 ASN A 48 -9.603 1.679 4.638 1.00 0.00 O ATOM 636 ND2 ASN A 48 -8.482 2.462 2.856 1.00 0.00 N ATOM 0 H ASN A 48 -7.004 -0.471 5.118 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.906 1.331 4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.861 3.057 5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.939 3.502 4.560 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.221 2.182 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.643 2.921 2.501 1.00 0.00 H new ATOM 643 N VAL A 49 -4.491 1.145 6.668 1.00 0.00 N ATOM 644 CA VAL A 49 -3.490 1.438 7.686 1.00 0.00 C ATOM 645 C VAL A 49 -2.088 1.464 7.087 1.00 0.00 C ATOM 646 O VAL A 49 -1.746 0.634 6.246 1.00 0.00 O ATOM 647 CB VAL A 49 -3.529 0.404 8.826 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.100 -0.965 8.321 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.650 0.854 9.984 1.00 0.00 C ATOM 0 H VAL A 49 -4.346 0.263 6.176 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.728 2.422 8.090 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.555 0.326 9.187 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.134 -1.682 9.141 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.774 -1.288 7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.084 -0.907 7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.690 0.111 10.781 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.622 0.962 9.639 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.008 1.811 10.362 1.00 0.00 H new ATOM 659 N ALA A 50 -1.281 2.424 7.526 1.00 0.00 N ATOM 660 CA ALA A 50 0.085 2.558 7.034 1.00 0.00 C ATOM 661 C ALA A 50 1.062 1.780 7.910 1.00 0.00 C ATOM 662 O ALA A 50 1.114 1.976 9.124 1.00 0.00 O ATOM 663 CB ALA A 50 0.483 4.025 6.972 1.00 0.00 C ATOM 0 H ALA A 50 -1.549 3.120 8.221 1.00 0.00 H new ATOM 0 HA ALA A 50 0.125 2.140 6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.505 4.109 6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.191 4.557 6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.420 4.462 7.969 1.00 0.00 H new ATOM 669 N TYR A 51 1.833 0.896 7.286 1.00 0.00 N ATOM 670 CA TYR A 51 2.806 0.086 8.010 1.00 0.00 C ATOM 671 C TYR A 51 4.161 0.108 7.309 1.00 0.00 C ATOM 672 O TYR A 51 4.242 0.004 6.085 1.00 0.00 O ATOM 673 CB TYR A 51 2.308 -1.355 8.136 1.00 0.00 C ATOM 674 CG TYR A 51 1.438 -1.590 9.350 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.964 -1.502 10.633 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.091 -1.902 9.214 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.173 -1.718 11.745 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.708 -2.117 10.321 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.162 -2.024 11.584 1.00 0.00 C ATOM 680 OH TYR A 51 -0.954 -2.239 12.689 1.00 0.00 O ATOM 0 H TYR A 51 1.803 0.722 6.281 1.00 0.00 H new ATOM 0 HA TYR A 51 2.925 0.511 9.007 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.745 -1.616 7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.167 -2.025 8.179 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.009 -1.261 10.763 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.339 -1.978 8.226 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.598 -1.648 12.735 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.754 -2.356 10.198 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.868 -2.443 12.401 1.00 0.00 H new ATOM 690 N HIS A 52 5.224 0.243 8.096 1.00 0.00 N ATOM 691 CA HIS A 52 6.578 0.277 7.553 1.00 0.00 C ATOM 692 C HIS A 52 6.967 -1.082 6.979 1.00 0.00 C ATOM 693 O HIS A 52 6.346 -2.098 7.290 1.00 0.00 O ATOM 694 CB HIS A 52 7.574 0.692 8.636 1.00 0.00 C ATOM 695 CG HIS A 52 7.392 2.101 9.110 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.904 2.566 10.302 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.751 3.150 8.543 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.585 3.840 10.449 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.885 4.218 9.395 1.00 0.00 N ATOM 0 H HIS A 52 5.174 0.331 9.111 1.00 0.00 H new ATOM 0 HA HIS A 52 6.602 1.011 6.748 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.476 0.016 9.486 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.587 0.575 8.250 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.231 3.147 7.596 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.851 4.465 11.288 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.506 5.152 9.239 1.00 0.00 H new ATOM 707 N ILE A 53 7.999 -1.091 6.142 1.00 0.00 N ATOM 708 CA ILE A 53 8.471 -2.325 5.526 1.00 0.00 C ATOM 709 C ILE A 53 9.388 -3.095 6.470 1.00 0.00 C ATOM 710 O ILE A 53 9.678 -4.271 6.249 1.00 0.00 O ATOM 711 CB ILE A 53 9.224 -2.046 4.212 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.441 -1.157 4.474 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.295 -1.396 3.197 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.709 -1.660 3.821 1.00 0.00 C ATOM 0 H ILE A 53 8.524 -0.258 5.875 1.00 0.00 H new ATOM 0 HA ILE A 53 7.588 -2.927 5.309 1.00 0.00 H new ATOM 0 HB ILE A 53 9.572 -2.994 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.230 -0.151 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.601 -1.082 5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.842 -1.205 2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.457 -2.062 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.920 -0.454 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.530 -0.981 4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.944 -2.654 4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.568 -1.708 2.741 1.00 0.00 H new ATOM 726 N TYR A 54 9.839 -2.424 7.524 1.00 0.00 N ATOM 727 CA TYR A 54 10.724 -3.045 8.503 1.00 0.00 C ATOM 728 C TYR A 54 10.051 -3.129 9.870 1.00 0.00 C ATOM 729 O TYR A 54 10.719 -3.147 10.904 1.00 0.00 O ATOM 730 CB TYR A 54 12.031 -2.257 8.613 1.00 0.00 C ATOM 731 CG TYR A 54 11.829 -0.761 8.705 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.542 -0.153 9.921 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.925 0.043 7.576 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.357 1.213 10.010 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.743 1.410 7.656 1.00 0.00 C ATOM 736 CZ TYR A 54 11.459 1.991 8.875 1.00 0.00 C ATOM 737 OH TYR A 54 11.275 3.352 8.958 1.00 0.00 O ATOM 0 H TYR A 54 9.607 -1.451 7.722 1.00 0.00 H new ATOM 0 HA TYR A 54 10.945 -4.057 8.164 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.577 -2.596 9.493 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.653 -2.479 7.746 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.462 -0.759 10.812 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.146 -0.408 6.620 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.134 1.670 10.963 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.823 2.021 6.769 1.00 0.00 H new ATOM 0 HH TYR A 54 11.382 3.751 8.069 1.00 0.00 H new ATOM 747 N CYS A 55 8.723 -3.181 9.866 1.00 0.00 N ATOM 748 CA CYS A 55 7.957 -3.263 11.103 1.00 0.00 C ATOM 749 C CYS A 55 6.831 -4.285 10.979 1.00 0.00 C ATOM 750 O CYS A 55 5.863 -4.255 11.740 1.00 0.00 O ATOM 751 CB CYS A 55 7.380 -1.892 11.462 1.00 0.00 C ATOM 752 SG CYS A 55 8.632 -0.662 11.950 1.00 0.00 S ATOM 0 H CYS A 55 8.155 -3.168 9.019 1.00 0.00 H new ATOM 0 HA CYS A 55 8.630 -3.585 11.897 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.824 -1.509 10.607 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.667 -2.012 12.278 1.00 0.00 H new ATOM 0 HG CYS A 55 9.593 -0.650 11.074 1.00 0.00 H new ATOM 757 N LEU A 56 6.964 -5.189 10.014 1.00 0.00 N ATOM 758 CA LEU A 56 5.958 -6.221 9.789 1.00 0.00 C ATOM 759 C LEU A 56 6.284 -7.481 10.585 1.00 0.00 C ATOM 760 O LEU A 56 7.264 -7.522 11.327 1.00 0.00 O ATOM 761 CB LEU A 56 5.865 -6.554 8.299 1.00 0.00 C ATOM 762 CG LEU A 56 5.066 -5.573 7.441 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.150 -5.958 5.972 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.615 -5.523 7.898 1.00 0.00 C ATOM 0 H LEU A 56 7.758 -5.228 9.375 1.00 0.00 H new ATOM 0 HA LEU A 56 4.996 -5.837 10.129 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.876 -6.617 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.419 -7.543 8.195 1.00 0.00 H new ATOM 0 HG LEU A 56 5.499 -4.580 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.575 -5.249 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.191 -5.942 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.744 -6.960 5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.062 -4.820 7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.171 -6.514 7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.572 -5.199 8.938 1.00 0.00 H new ATOM 776 N ASN A 57 5.455 -8.508 10.422 1.00 0.00 N ATOM 777 CA ASN A 57 5.657 -9.771 11.124 1.00 0.00 C ATOM 778 C ASN A 57 5.163 -10.944 10.283 1.00 0.00 C ATOM 779 O ASN A 57 3.980 -11.285 10.283 1.00 0.00 O ATOM 780 CB ASN A 57 4.930 -9.751 12.470 1.00 0.00 C ATOM 781 CG ASN A 57 5.415 -10.843 13.404 1.00 0.00 C ATOM 782 OD1 ASN A 57 6.241 -11.675 13.029 1.00 0.00 O ATOM 783 ND2 ASN A 57 4.903 -10.843 14.630 1.00 0.00 N ATOM 0 H ASN A 57 4.638 -8.490 9.811 1.00 0.00 H new ATOM 0 HA ASN A 57 6.726 -9.896 11.298 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.075 -8.780 12.944 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.859 -9.868 12.304 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.192 -11.552 15.304 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.221 -10.134 14.898 1.00 0.00 H new ATOM 790 N PRO A 58 6.090 -11.579 9.550 1.00 0.00 N ATOM 791 CA PRO A 58 7.501 -11.182 9.543 1.00 0.00 C ATOM 792 C PRO A 58 7.723 -9.844 8.845 1.00 0.00 C ATOM 793 O PRO A 58 6.834 -9.306 8.185 1.00 0.00 O ATOM 794 CB PRO A 58 8.183 -12.310 8.766 1.00 0.00 C ATOM 795 CG PRO A 58 7.112 -12.872 7.896 1.00 0.00 C ATOM 796 CD PRO A 58 5.832 -12.732 8.672 1.00 0.00 C ATOM 0 HA PRO A 58 7.891 -11.045 10.552 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.018 -11.935 8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.585 -13.068 9.439 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.055 -12.334 6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.311 -13.917 7.657 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.981 -12.554 8.015 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.609 -13.632 9.245 1.00 0.00 H new ATOM 804 N PRO A 59 8.937 -9.294 8.991 1.00 0.00 N ATOM 805 CA PRO A 59 9.305 -8.013 8.381 1.00 0.00 C ATOM 806 C PRO A 59 9.422 -8.106 6.863 1.00 0.00 C ATOM 807 O PRO A 59 9.150 -9.152 6.272 1.00 0.00 O ATOM 808 CB PRO A 59 10.667 -7.700 9.004 1.00 0.00 C ATOM 809 CG PRO A 59 11.225 -9.029 9.381 1.00 0.00 C ATOM 810 CD PRO A 59 10.046 -9.880 9.763 1.00 0.00 C ATOM 0 HA PRO A 59 8.553 -7.245 8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.317 -7.184 8.297 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.565 -7.052 9.875 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.773 -9.472 8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.925 -8.937 10.211 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.206 -10.927 9.505 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.853 -9.842 10.835 1.00 0.00 H new ATOM 818 N LEU A 60 9.829 -7.008 6.237 1.00 0.00 N ATOM 819 CA LEU A 60 9.984 -6.966 4.787 1.00 0.00 C ATOM 820 C LEU A 60 11.315 -6.331 4.400 1.00 0.00 C ATOM 821 O LEU A 60 11.583 -5.175 4.730 1.00 0.00 O ATOM 822 CB LEU A 60 8.830 -6.186 4.154 1.00 0.00 C ATOM 823 CG LEU A 60 7.750 -7.024 3.470 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.632 -6.132 2.950 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.349 -7.846 2.338 1.00 0.00 C ATOM 0 H LEU A 60 10.058 -6.134 6.711 1.00 0.00 H new ATOM 0 HA LEU A 60 9.970 -7.990 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.357 -5.583 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.244 -5.495 3.420 1.00 0.00 H new ATOM 0 HG LEU A 60 7.329 -7.709 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.872 -6.746 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.184 -5.588 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.038 -5.422 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.565 -8.436 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.798 -7.179 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.113 -8.513 2.737 1.00 0.00 H new ATOM 837 N ASP A 61 12.145 -7.092 3.695 1.00 0.00 N ATOM 838 CA ASP A 61 13.448 -6.603 3.259 1.00 0.00 C ATOM 839 C ASP A 61 13.307 -5.291 2.493 1.00 0.00 C ATOM 840 O ASP A 61 14.220 -4.464 2.483 1.00 0.00 O ATOM 841 CB ASP A 61 14.142 -7.647 2.383 1.00 0.00 C ATOM 842 CG ASP A 61 14.970 -8.625 3.193 1.00 0.00 C ATOM 843 OD1 ASP A 61 15.945 -8.185 3.838 1.00 0.00 O ATOM 844 OD2 ASP A 61 14.642 -9.830 3.184 1.00 0.00 O ATOM 0 H ASP A 61 11.939 -8.050 3.413 1.00 0.00 H new ATOM 0 HA ASP A 61 14.056 -6.422 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.392 -8.195 1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.784 -7.142 1.661 1.00 0.00 H new ATOM 849 N LYS A 62 12.158 -5.106 1.852 1.00 0.00 N ATOM 850 CA LYS A 62 11.896 -3.895 1.083 1.00 0.00 C ATOM 851 C LYS A 62 10.410 -3.762 0.767 1.00 0.00 C ATOM 852 O LYS A 62 9.584 -4.507 1.295 1.00 0.00 O ATOM 853 CB LYS A 62 12.706 -3.906 -0.215 1.00 0.00 C ATOM 854 CG LYS A 62 12.289 -4.999 -1.183 1.00 0.00 C ATOM 855 CD LYS A 62 13.473 -5.519 -1.982 1.00 0.00 C ATOM 856 CE LYS A 62 13.611 -4.792 -3.310 1.00 0.00 C ATOM 857 NZ LYS A 62 13.953 -5.724 -4.420 1.00 0.00 N ATOM 0 H LYS A 62 11.392 -5.780 1.850 1.00 0.00 H new ATOM 0 HA LYS A 62 12.199 -3.039 1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.602 -2.938 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.762 -4.030 0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.833 -5.821 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.531 -4.613 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.387 -5.396 -1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.351 -6.587 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.678 -4.279 -3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.383 -4.027 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.038 -5.190 -5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.856 -6.195 -4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.204 -6.439 -4.517 1.00 0.00 H new ATOM 871 N VAL A 63 10.077 -2.810 -0.099 1.00 0.00 N ATOM 872 CA VAL A 63 8.691 -2.582 -0.488 1.00 0.00 C ATOM 873 C VAL A 63 8.248 -3.576 -1.555 1.00 0.00 C ATOM 874 O VAL A 63 8.954 -3.832 -2.532 1.00 0.00 O ATOM 875 CB VAL A 63 8.485 -1.151 -1.018 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.029 -0.926 -1.398 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.938 -0.130 0.015 1.00 0.00 C ATOM 0 H VAL A 63 10.748 -2.184 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 63 8.085 -2.721 0.407 1.00 0.00 H new ATOM 0 HB VAL A 63 9.093 -1.023 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.903 0.091 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.742 -1.635 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.397 -1.072 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.785 0.876 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.358 -0.256 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.996 -0.278 0.233 1.00 0.00 H new ATOM 887 N PRO A 64 7.051 -4.152 -1.368 1.00 0.00 N ATOM 888 CA PRO A 64 6.487 -5.127 -2.306 1.00 0.00 C ATOM 889 C PRO A 64 6.082 -4.491 -3.631 1.00 0.00 C ATOM 890 O PRO A 64 6.054 -3.267 -3.758 1.00 0.00 O ATOM 891 CB PRO A 64 5.254 -5.656 -1.568 1.00 0.00 C ATOM 892 CG PRO A 64 4.871 -4.559 -0.636 1.00 0.00 C ATOM 893 CD PRO A 64 6.157 -3.895 -0.227 1.00 0.00 C ATOM 0 HA PRO A 64 7.207 -5.901 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.446 -5.886 -2.262 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.480 -6.575 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.203 -3.849 -1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.341 -4.952 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.021 -2.827 -0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.552 -4.318 0.696 1.00 0.00 H new ATOM 901 N GLU A 65 5.769 -5.329 -4.614 1.00 0.00 N ATOM 902 CA GLU A 65 5.367 -4.846 -5.930 1.00 0.00 C ATOM 903 C GLU A 65 4.340 -5.781 -6.562 1.00 0.00 C ATOM 904 O GLU A 65 4.220 -5.851 -7.784 1.00 0.00 O ATOM 905 CB GLU A 65 6.586 -4.716 -6.845 1.00 0.00 C ATOM 906 CG GLU A 65 7.392 -3.449 -6.610 1.00 0.00 C ATOM 907 CD GLU A 65 6.733 -2.220 -7.206 1.00 0.00 C ATOM 908 OE1 GLU A 65 5.922 -1.581 -6.503 1.00 0.00 O ATOM 909 OE2 GLU A 65 7.029 -1.898 -8.376 1.00 0.00 O ATOM 0 H GLU A 65 5.786 -6.345 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 65 4.910 -3.864 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.233 -5.581 -6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.254 -4.738 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.526 -3.301 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.386 -3.569 -7.042 1.00 0.00 H new ATOM 916 N GLU A 66 3.603 -6.498 -5.719 1.00 0.00 N ATOM 917 CA GLU A 66 2.588 -7.430 -6.195 1.00 0.00 C ATOM 918 C GLU A 66 1.276 -6.705 -6.483 1.00 0.00 C ATOM 919 O GLU A 66 1.223 -5.475 -6.488 1.00 0.00 O ATOM 920 CB GLU A 66 2.356 -8.537 -5.164 1.00 0.00 C ATOM 921 CG GLU A 66 3.639 -9.159 -4.641 1.00 0.00 C ATOM 922 CD GLU A 66 3.391 -10.433 -3.855 1.00 0.00 C ATOM 923 OE1 GLU A 66 2.316 -10.543 -3.229 1.00 0.00 O ATOM 924 OE2 GLU A 66 4.272 -11.318 -3.866 1.00 0.00 O ATOM 0 H GLU A 66 3.690 -6.451 -4.704 1.00 0.00 H new ATOM 0 HA GLU A 66 2.948 -7.877 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.792 -8.129 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.741 -9.317 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.301 -9.377 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.155 -8.439 -4.006 1.00 0.00 H new ATOM 931 N GLU A 67 0.220 -7.476 -6.723 1.00 0.00 N ATOM 932 CA GLU A 67 -1.091 -6.908 -7.013 1.00 0.00 C ATOM 933 C GLU A 67 -1.491 -5.892 -5.947 1.00 0.00 C ATOM 934 O GLU A 67 -1.683 -4.712 -6.240 1.00 0.00 O ATOM 935 CB GLU A 67 -2.144 -8.015 -7.100 1.00 0.00 C ATOM 936 CG GLU A 67 -1.848 -9.053 -8.169 1.00 0.00 C ATOM 937 CD GLU A 67 -3.107 -9.680 -8.737 1.00 0.00 C ATOM 938 OE1 GLU A 67 -3.909 -8.948 -9.354 1.00 0.00 O ATOM 939 OE2 GLU A 67 -3.290 -10.903 -8.564 1.00 0.00 O ATOM 0 H GLU A 67 0.247 -8.496 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.033 -6.397 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.217 -8.512 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.116 -7.565 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.283 -8.587 -8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.216 -9.834 -7.747 1.00 0.00 H new ATOM 946 N TYR A 68 -1.616 -6.360 -4.710 1.00 0.00 N ATOM 947 CA TYR A 68 -1.996 -5.494 -3.600 1.00 0.00 C ATOM 948 C TYR A 68 -1.271 -5.899 -2.320 1.00 0.00 C ATOM 949 O TYR A 68 -0.611 -6.936 -2.269 1.00 0.00 O ATOM 950 CB TYR A 68 -3.509 -5.547 -3.381 1.00 0.00 C ATOM 951 CG TYR A 68 -4.255 -4.398 -4.023 1.00 0.00 C ATOM 952 CD1 TYR A 68 -4.104 -3.099 -3.556 1.00 0.00 C ATOM 953 CD2 TYR A 68 -5.108 -4.613 -5.098 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.784 -2.047 -4.139 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.791 -3.567 -5.688 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.625 -2.286 -5.205 1.00 0.00 C ATOM 957 OH TYR A 68 -6.303 -1.241 -5.790 1.00 0.00 O ATOM 0 H TYR A 68 -1.460 -7.334 -4.451 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.707 -4.474 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.893 -6.486 -3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.713 -5.548 -2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.444 -2.908 -2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.240 -5.615 -5.479 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.657 -1.043 -3.762 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.451 -3.751 -6.523 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.852 -1.579 -6.528 1.00 0.00 H new ATOM 967 N TRP A 69 -1.400 -5.072 -1.289 1.00 0.00 N ATOM 968 CA TRP A 69 -0.758 -5.343 -0.008 1.00 0.00 C ATOM 969 C TRP A 69 -1.756 -5.219 1.138 1.00 0.00 C ATOM 970 O TRP A 69 -2.389 -4.177 1.313 1.00 0.00 O ATOM 971 CB TRP A 69 0.412 -4.383 0.213 1.00 0.00 C ATOM 972 CG TRP A 69 1.144 -4.623 1.499 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.256 -5.395 1.677 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.813 -4.089 2.785 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.636 -5.373 2.997 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.768 -4.578 3.697 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.196 -3.244 3.255 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.741 -4.251 5.050 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.222 -2.920 4.598 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.742 -3.421 5.483 1.00 0.00 C ATOM 0 H TRP A 69 -1.943 -4.209 -1.315 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.381 -6.366 -0.028 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.111 -4.477 -0.618 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.039 -3.359 0.201 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.762 -5.942 0.895 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.435 -5.869 3.392 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.942 -2.851 2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.482 -4.638 5.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.999 -2.269 4.972 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.696 -3.147 6.527 1.00 0.00 H new ATOM 991 N TYR A 70 -1.891 -6.287 1.917 1.00 0.00 N ATOM 992 CA TYR A 70 -2.815 -6.297 3.046 1.00 0.00 C ATOM 993 C TYR A 70 -2.064 -6.479 4.361 1.00 0.00 C ATOM 994 O TYR A 70 -1.295 -7.427 4.525 1.00 0.00 O ATOM 995 CB TYR A 70 -3.847 -7.413 2.876 1.00 0.00 C ATOM 996 CG TYR A 70 -4.868 -7.134 1.796 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.582 -7.390 0.460 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.117 -6.613 2.110 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.511 -7.136 -0.531 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.053 -6.358 1.126 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.745 -6.621 -0.192 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.674 -6.366 -1.175 1.00 0.00 O ATOM 0 H TYR A 70 -1.373 -7.156 1.788 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.329 -5.336 3.072 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.329 -8.343 2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.365 -7.565 3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.617 -7.794 0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.361 -6.404 3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.272 -7.339 -1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.020 -5.955 1.388 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.490 -6.007 -0.768 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.295 -5.565 5.298 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.643 -5.622 6.600 1.00 0.00 C ATOM 1014 C CYS A 71 -1.816 -6.999 7.235 1.00 0.00 C ATOM 1015 O CYS A 71 -2.759 -7.733 6.937 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.212 -4.546 7.526 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.860 -4.937 8.197 1.00 0.00 S ATOM 0 H CYS A 71 -2.930 -4.775 5.179 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.578 -5.440 6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.521 -4.393 8.355 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.268 -3.604 6.980 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.615 -3.880 8.138 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.886 -7.358 8.132 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.914 -8.648 8.829 1.00 0.00 C ATOM 1024 C PRO A 72 -2.058 -8.739 9.833 1.00 0.00 C ATOM 1025 O PRO A 72 -2.339 -9.809 10.373 1.00 0.00 O ATOM 1026 CB PRO A 72 0.435 -8.691 9.550 1.00 0.00 C ATOM 1027 CG PRO A 72 0.814 -7.261 9.731 1.00 0.00 C ATOM 1028 CD PRO A 72 0.265 -6.533 8.536 1.00 0.00 C ATOM 0 HA PRO A 72 -1.072 -9.479 8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.355 -9.204 10.509 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.181 -9.227 8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.399 -6.861 10.656 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.896 -7.149 9.793 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.038 -5.517 8.789 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.004 -6.456 7.738 1.00 0.00 H new ATOM 1036 N SER A 73 -2.716 -7.610 10.078 1.00 0.00 N ATOM 1037 CA SER A 73 -3.828 -7.563 11.020 1.00 0.00 C ATOM 1038 C SER A 73 -5.141 -7.919 10.330 1.00 0.00 C ATOM 1039 O SER A 73 -6.137 -8.228 10.985 1.00 0.00 O ATOM 1040 CB SER A 73 -3.931 -6.172 11.650 1.00 0.00 C ATOM 1041 OG SER A 73 -4.679 -6.212 12.854 1.00 0.00 O ATOM 0 H SER A 73 -2.498 -6.716 9.637 1.00 0.00 H new ATOM 0 HA SER A 73 -3.639 -8.297 11.804 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.932 -5.786 11.851 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.403 -5.485 10.947 1.00 0.00 H new ATOM 0 HG SER A 73 -5.499 -6.730 12.713 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.135 -7.874 9.002 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.323 -8.191 8.219 1.00 0.00 C ATOM 1049 C CYS A 74 -6.208 -9.577 7.592 1.00 0.00 C ATOM 1050 O CYS A 74 -7.111 -10.404 7.715 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.536 -7.140 7.128 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.395 -5.639 7.698 1.00 0.00 S ATOM 0 H CYS A 74 -4.319 -7.621 8.445 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.182 -8.186 8.890 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.567 -6.857 6.717 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.109 -7.587 6.315 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.531 -4.682 7.865 1.00 0.00 H new ATOM 1057 N LYS A 75 -5.089 -9.823 6.918 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.853 -11.109 6.271 1.00 0.00 C ATOM 1059 C LYS A 75 -5.075 -12.259 7.249 1.00 0.00 C ATOM 1060 O LYS A 75 -4.319 -12.429 8.205 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.429 -11.168 5.713 1.00 0.00 C ATOM 1062 CG LYS A 75 -3.027 -12.545 5.215 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.724 -12.499 4.436 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.972 -12.444 2.937 1.00 0.00 C ATOM 1065 NZ LYS A 75 -2.118 -13.804 2.348 1.00 0.00 N ATOM 0 H LYS A 75 -4.332 -9.149 6.806 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.563 -11.211 5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.339 -10.454 4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.731 -10.853 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.921 -13.223 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.817 -12.948 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.146 -11.627 4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.125 -13.378 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.873 -11.864 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.146 -11.925 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.286 -13.723 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.248 -14.349 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.922 -14.291 2.793 1.00 0.00 H new