USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 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 143:sc= 0.774 USER MOD Set 1.2: A 47 CYS SG : rot -47:sc= 0.441 USER MOD Set 1.3: A 71 CYS SG : rot -136:sc= 0.637 USER MOD Set 1.4: A 74 CYS SG : rot 105:sc= 0.0321 USER MOD Set 2.1: A 29 CYS SG : rot 165:sc= 0.675 USER MOD Set 2.2: A 32 CYS SG : rot -61:sc= 0.739 USER MOD Set 2.3: A 52 HIS : no HD1:sc= -1.27 X(o=0.57,f=0.45) USER MOD Set 2.4: A 55 CYS SG : rot 49:sc= 0.436 USER MOD Set 3.1: A 13 CYS SG : rot 166:sc= 0.0311 USER MOD Set 3.2: A 16 CYS SG : rot -51:sc= 0.756 USER MOD Set 3.3: A 24 CYS SG : rot -163:sc= -0.24 USER MOD Set 3.4: A 27 CYS SG : rot 142:sc= 0.702 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.861 K(o=-0.86,f=-3.5!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -92:sc= 0.939 USER MOD Single : A 35 LYS NZ :NH3+ 134:sc= 0.0573 (180deg=-0.0794) USER MOD Single : A 36 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-0.95) USER MOD Single : A 39 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -3.72! C(o=-3.7!,f=-8.1!) USER MOD Single : A 48 ASN : amide:sc= -0.0399 X(o=-0.04,f=-0.043) USER MOD Single : A 51 TYR OH : rot -130:sc= -0.668 USER MOD Single : A 54 TYR OH : rot 142:sc= 1.24 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.094) 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= -0.47 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 13 -9.673 12.286 10.973 1.00 0.00 N ATOM 146 CA CYS A 13 -9.104 11.426 12.003 1.00 0.00 C ATOM 147 C CYS A 13 -9.128 12.116 13.364 1.00 0.00 C ATOM 148 O CYS A 13 -8.646 13.239 13.510 1.00 0.00 O ATOM 149 CB CYS A 13 -7.668 11.041 11.640 1.00 0.00 C ATOM 150 SG CYS A 13 -6.951 9.750 12.706 1.00 0.00 S ATOM 0 HA CYS A 13 -9.712 10.523 12.062 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.646 10.697 10.606 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.040 11.931 11.693 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.868 9.286 12.157 1.00 0.00 H new ATOM 155 N ASP A 14 -9.693 11.436 14.355 1.00 0.00 N ATOM 156 CA ASP A 14 -9.779 11.982 15.705 1.00 0.00 C ATOM 157 C ASP A 14 -8.581 11.550 16.544 1.00 0.00 C ATOM 158 O ASP A 14 -8.180 12.247 17.478 1.00 0.00 O ATOM 159 CB ASP A 14 -11.077 11.533 16.378 1.00 0.00 C ATOM 160 CG ASP A 14 -12.262 12.390 15.981 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.483 13.434 16.630 1.00 0.00 O ATOM 162 OD2 ASP A 14 -12.970 12.017 15.021 1.00 0.00 O ATOM 0 H ASP A 14 -10.098 10.506 14.249 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.774 13.069 15.631 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.279 10.495 16.115 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.953 11.569 17.460 1.00 0.00 H new ATOM 167 N LEU A 15 -8.013 10.398 16.206 1.00 0.00 N ATOM 168 CA LEU A 15 -6.860 9.872 16.929 1.00 0.00 C ATOM 169 C LEU A 15 -5.756 10.919 17.028 1.00 0.00 C ATOM 170 O LEU A 15 -5.053 11.002 18.035 1.00 0.00 O ATOM 171 CB LEU A 15 -6.328 8.616 16.236 1.00 0.00 C ATOM 172 CG LEU A 15 -7.280 7.420 16.190 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.753 7.168 14.767 1.00 0.00 C ATOM 174 CD2 LEU A 15 -6.606 6.180 16.758 1.00 0.00 C ATOM 0 H LEU A 15 -8.332 9.810 15.436 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.181 9.614 17.938 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.056 8.877 15.213 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.413 8.307 16.741 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.151 7.649 16.804 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.429 6.313 14.754 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.275 8.050 14.396 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.894 6.960 14.129 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.298 5.339 16.717 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.717 5.948 16.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.319 6.364 17.793 1.00 0.00 H new ATOM 186 N CYS A 16 -5.609 11.717 15.976 1.00 0.00 N ATOM 187 CA CYS A 16 -4.591 12.761 15.944 1.00 0.00 C ATOM 188 C CYS A 16 -5.218 14.123 15.661 1.00 0.00 C ATOM 189 O CYS A 16 -4.791 15.140 16.206 1.00 0.00 O ATOM 190 CB CYS A 16 -3.537 12.442 14.882 1.00 0.00 C ATOM 191 SG CYS A 16 -4.224 12.128 13.224 1.00 0.00 S ATOM 0 H CYS A 16 -6.182 11.661 15.134 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.112 12.797 16.922 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.835 13.273 14.821 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.969 11.568 15.200 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.176 11.247 13.308 1.00 0.00 H new ATOM 196 N GLY A 17 -6.235 14.135 14.804 1.00 0.00 N ATOM 197 CA GLY A 17 -6.904 15.376 14.463 1.00 0.00 C ATOM 198 C GLY A 17 -6.509 15.891 13.093 1.00 0.00 C ATOM 199 O GLY A 17 -6.579 17.090 12.829 1.00 0.00 O ATOM 0 H GLY A 17 -6.607 13.306 14.340 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.983 15.224 14.493 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.668 16.131 15.213 1.00 0.00 H new ATOM 203 N GLY A 18 -6.091 14.981 12.219 1.00 0.00 N ATOM 204 CA GLY A 18 -5.687 15.369 10.880 1.00 0.00 C ATOM 205 C GLY A 18 -4.639 16.464 10.885 1.00 0.00 C ATOM 206 O GLY A 18 -4.963 17.644 10.745 1.00 0.00 O ATOM 0 H GLY A 18 -6.025 13.982 12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.295 14.498 10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.561 15.709 10.324 1.00 0.00 H new ATOM 210 N ASP A 19 -3.380 16.075 11.048 1.00 0.00 N ATOM 211 CA ASP A 19 -2.280 17.032 11.072 1.00 0.00 C ATOM 212 C ASP A 19 -0.938 16.323 10.918 1.00 0.00 C ATOM 213 O ASP A 19 -0.787 15.148 11.254 1.00 0.00 O ATOM 214 CB ASP A 19 -2.301 17.833 12.375 1.00 0.00 C ATOM 215 CG ASP A 19 -2.500 19.318 12.138 1.00 0.00 C ATOM 216 OD1 ASP A 19 -3.397 19.677 11.348 1.00 0.00 O ATOM 217 OD2 ASP A 19 -1.758 20.120 12.743 1.00 0.00 O ATOM 0 H ASP A 19 -3.095 15.103 11.166 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.408 17.715 10.232 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.101 17.460 13.015 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.365 17.676 12.910 1.00 0.00 H new ATOM 222 N PRO A 20 0.060 17.051 10.395 1.00 0.00 N ATOM 223 CA PRO A 20 1.406 16.511 10.184 1.00 0.00 C ATOM 224 C PRO A 20 2.143 16.262 11.496 1.00 0.00 C ATOM 225 O PRO A 20 2.714 15.192 11.702 1.00 0.00 O ATOM 226 CB PRO A 20 2.106 17.609 9.378 1.00 0.00 C ATOM 227 CG PRO A 20 1.380 18.861 9.733 1.00 0.00 C ATOM 228 CD PRO A 20 -0.049 18.457 9.972 1.00 0.00 C ATOM 0 HA PRO A 20 1.383 15.543 9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.163 17.677 9.637 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.052 17.410 8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.809 19.322 10.622 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.449 19.594 8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.517 19.072 10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.652 18.560 9.070 1.00 0.00 H new ATOM 236 N GLU A 21 2.126 17.256 12.378 1.00 0.00 N ATOM 237 CA GLU A 21 2.793 17.143 13.669 1.00 0.00 C ATOM 238 C GLU A 21 2.065 16.153 14.573 1.00 0.00 C ATOM 239 O GLU A 21 2.683 15.284 15.188 1.00 0.00 O ATOM 240 CB GLU A 21 2.870 18.511 14.350 1.00 0.00 C ATOM 241 CG GLU A 21 4.190 19.229 14.126 1.00 0.00 C ATOM 242 CD GLU A 21 5.244 18.846 15.146 1.00 0.00 C ATOM 243 OE1 GLU A 21 5.492 17.634 15.318 1.00 0.00 O ATOM 244 OE2 GLU A 21 5.821 19.759 15.774 1.00 0.00 O ATOM 0 H GLU A 21 1.658 18.149 12.222 1.00 0.00 H new ATOM 0 HA GLU A 21 3.804 16.774 13.495 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.058 19.137 13.981 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.713 18.384 15.421 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.558 19.001 13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.025 20.306 14.167 1.00 0.00 H new ATOM 251 N LYS A 22 0.745 16.291 14.649 1.00 0.00 N ATOM 252 CA LYS A 22 -0.070 15.410 15.477 1.00 0.00 C ATOM 253 C LYS A 22 0.224 13.945 15.166 1.00 0.00 C ATOM 254 O LYS A 22 -0.228 13.412 14.153 1.00 0.00 O ATOM 255 CB LYS A 22 -1.556 15.700 15.257 1.00 0.00 C ATOM 256 CG LYS A 22 -1.965 17.109 15.649 1.00 0.00 C ATOM 257 CD LYS A 22 -2.299 17.202 17.128 1.00 0.00 C ATOM 258 CE LYS A 22 -2.097 18.613 17.658 1.00 0.00 C ATOM 259 NZ LYS A 22 -2.576 18.753 19.061 1.00 0.00 N ATOM 0 H LYS A 22 0.217 17.005 14.147 1.00 0.00 H new ATOM 0 HA LYS A 22 0.180 15.599 16.521 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.797 15.540 14.206 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.146 14.986 15.832 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.157 17.802 15.413 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.830 17.415 15.060 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.333 16.897 17.288 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.671 16.509 17.688 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.039 18.872 17.608 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.628 19.320 17.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.421 19.729 19.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.591 18.531 19.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.051 18.097 19.674 1.00 0.00 H new ATOM 273 N LYS A 23 0.983 13.300 16.045 1.00 0.00 N ATOM 274 CA LYS A 23 1.336 11.896 15.867 1.00 0.00 C ATOM 275 C LYS A 23 0.087 11.021 15.838 1.00 0.00 C ATOM 276 O LYS A 23 -0.956 11.391 16.378 1.00 0.00 O ATOM 277 CB LYS A 23 2.268 11.437 16.990 1.00 0.00 C ATOM 278 CG LYS A 23 3.193 10.301 16.587 1.00 0.00 C ATOM 279 CD LYS A 23 3.630 9.484 17.791 1.00 0.00 C ATOM 280 CE LYS A 23 5.136 9.553 17.994 1.00 0.00 C ATOM 281 NZ LYS A 23 5.536 9.067 19.344 1.00 0.00 N ATOM 0 H LYS A 23 1.366 13.727 16.888 1.00 0.00 H new ATOM 0 HA LYS A 23 1.851 11.795 14.912 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.869 12.284 17.321 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.667 11.120 17.843 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.686 9.654 15.872 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.071 10.706 16.083 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.124 9.851 18.684 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.327 8.446 17.657 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.633 8.955 17.230 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.473 10.581 17.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.569 9.130 19.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.082 9.654 20.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.237 8.078 19.460 1.00 0.00 H new ATOM 295 N CYS A 24 0.200 9.857 15.206 1.00 0.00 N ATOM 296 CA CYS A 24 -0.919 8.928 15.108 1.00 0.00 C ATOM 297 C CYS A 24 -0.424 7.501 14.896 1.00 0.00 C ATOM 298 O CYS A 24 0.660 7.282 14.353 1.00 0.00 O ATOM 299 CB CYS A 24 -1.846 9.334 13.961 1.00 0.00 C ATOM 300 SG CYS A 24 -3.531 8.652 14.090 1.00 0.00 S ATOM 0 H CYS A 24 1.056 9.535 14.754 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.474 8.965 16.046 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.907 10.422 13.925 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.405 9.009 13.019 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.123 8.737 12.936 1.00 0.00 H new ATOM 305 N HIS A 25 -1.225 6.532 15.328 1.00 0.00 N ATOM 306 CA HIS A 25 -0.869 5.125 15.185 1.00 0.00 C ATOM 307 C HIS A 25 -1.524 4.522 13.947 1.00 0.00 C ATOM 308 O HIS A 25 -1.023 3.553 13.377 1.00 0.00 O ATOM 309 CB HIS A 25 -1.287 4.342 16.430 1.00 0.00 C ATOM 310 CG HIS A 25 -0.148 4.028 17.351 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.010 3.409 16.931 1.00 0.00 N ATOM 312 CD2 HIS A 25 0.006 4.252 18.677 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.827 3.265 17.960 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.241 3.769 19.031 1.00 0.00 N ATOM 0 H HIS A 25 -2.125 6.696 15.780 1.00 0.00 H new ATOM 0 HA HIS A 25 0.213 5.060 15.070 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.037 4.916 16.975 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.761 3.410 16.121 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.710 4.723 19.334 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.807 2.812 17.930 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.641 3.795 19.969 1.00 0.00 H new ATOM 322 N SER A 26 -2.648 5.101 13.536 1.00 0.00 N ATOM 323 CA SER A 26 -3.375 4.618 12.368 1.00 0.00 C ATOM 324 C SER A 26 -2.846 5.267 11.093 1.00 0.00 C ATOM 325 O SER A 26 -2.448 4.580 10.151 1.00 0.00 O ATOM 326 CB SER A 26 -4.870 4.904 12.517 1.00 0.00 C ATOM 327 OG SER A 26 -5.597 4.411 11.405 1.00 0.00 O ATOM 0 H SER A 26 -3.075 5.906 13.995 1.00 0.00 H new ATOM 0 HA SER A 26 -3.224 3.541 12.297 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.242 4.443 13.432 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.030 5.978 12.613 1.00 0.00 H new ATOM 0 HG SER A 26 -6.550 4.605 11.525 1.00 0.00 H new ATOM 333 N CYS A 27 -2.846 6.595 11.069 1.00 0.00 N ATOM 334 CA CYS A 27 -2.367 7.340 9.910 1.00 0.00 C ATOM 335 C CYS A 27 -0.940 6.934 9.554 1.00 0.00 C ATOM 336 O CYS A 27 -0.518 7.054 8.404 1.00 0.00 O ATOM 337 CB CYS A 27 -2.428 8.844 10.184 1.00 0.00 C ATOM 338 SG CYS A 27 -4.115 9.488 10.425 1.00 0.00 S ATOM 0 H CYS A 27 -3.173 7.178 11.839 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.014 7.105 9.065 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.836 9.065 11.072 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.964 9.373 9.352 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.106 10.388 11.363 1.00 0.00 H new ATOM 343 N SER A 28 -0.202 6.454 10.550 1.00 0.00 N ATOM 344 CA SER A 28 1.179 6.033 10.343 1.00 0.00 C ATOM 345 C SER A 28 1.411 4.634 10.906 1.00 0.00 C ATOM 346 O SER A 28 0.467 3.938 11.279 1.00 0.00 O ATOM 347 CB SER A 28 2.140 7.026 11.001 1.00 0.00 C ATOM 348 OG SER A 28 2.311 6.734 12.377 1.00 0.00 O ATOM 0 H SER A 28 -0.537 6.347 11.508 1.00 0.00 H new ATOM 0 HA SER A 28 1.369 6.010 9.270 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.105 6.992 10.496 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.756 8.040 10.886 1.00 0.00 H new ATOM 0 HG SER A 28 1.659 7.243 12.903 1.00 0.00 H new ATOM 354 N CYS A 29 2.675 4.229 10.964 1.00 0.00 N ATOM 355 CA CYS A 29 3.034 2.914 11.480 1.00 0.00 C ATOM 356 C CYS A 29 2.408 2.678 12.852 1.00 0.00 C ATOM 357 O CYS A 29 2.556 3.495 13.761 1.00 0.00 O ATOM 358 CB CYS A 29 4.555 2.776 11.571 1.00 0.00 C ATOM 359 SG CYS A 29 5.134 1.066 11.820 1.00 0.00 S ATOM 0 H CYS A 29 3.468 4.793 10.660 1.00 0.00 H new ATOM 0 HA CYS A 29 2.648 2.163 10.790 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.000 3.169 10.657 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.917 3.394 12.393 1.00 0.00 H new ATOM 0 HG CYS A 29 6.408 0.998 11.569 1.00 0.00 H new ATOM 364 N ARG A 30 1.710 1.556 12.993 1.00 0.00 N ATOM 365 CA ARG A 30 1.061 1.214 14.253 1.00 0.00 C ATOM 366 C ARG A 30 1.962 0.325 15.105 1.00 0.00 C ATOM 367 O ARG A 30 1.783 0.222 16.318 1.00 0.00 O ATOM 368 CB ARG A 30 -0.269 0.506 13.989 1.00 0.00 C ATOM 369 CG ARG A 30 -1.344 0.828 15.015 1.00 0.00 C ATOM 370 CD ARG A 30 -2.630 1.291 14.347 1.00 0.00 C ATOM 371 NE ARG A 30 -3.812 0.698 14.966 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.188 -0.562 14.775 1.00 0.00 C ATOM 373 NH1 ARG A 30 -3.478 -1.357 13.986 1.00 0.00 N ATOM 374 NH2 ARG A 30 -5.277 -1.029 15.374 1.00 0.00 N ATOM 0 H ARG A 30 1.579 0.869 12.251 1.00 0.00 H new ATOM 0 HA ARG A 30 0.872 2.139 14.798 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.629 0.784 12.998 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.102 -0.571 13.976 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.545 -0.055 15.622 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.983 1.604 15.690 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.697 2.377 14.404 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.604 1.028 13.289 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.380 1.283 15.579 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.641 -1.002 13.524 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.769 -2.324 13.841 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.826 -0.420 15.981 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.565 -1.996 15.227 1.00 0.00 H new ATOM 388 N VAL A 31 2.933 -0.316 14.460 1.00 0.00 N ATOM 389 CA VAL A 31 3.863 -1.195 15.158 1.00 0.00 C ATOM 390 C VAL A 31 4.803 -0.399 16.056 1.00 0.00 C ATOM 391 O VAL A 31 4.668 -0.410 17.280 1.00 0.00 O ATOM 392 CB VAL A 31 4.699 -2.027 14.168 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.697 -2.901 14.913 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.793 -2.873 13.285 1.00 0.00 C ATOM 0 H VAL A 31 3.095 -0.242 13.456 1.00 0.00 H new ATOM 0 HA VAL A 31 3.263 -1.868 15.771 1.00 0.00 H new ATOM 0 HB VAL A 31 5.258 -1.344 13.528 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.278 -3.481 14.196 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.367 -2.271 15.498 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.162 -3.578 15.579 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.401 -3.454 12.592 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.206 -3.548 13.907 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.123 -2.223 12.723 1.00 0.00 H new ATOM 404 N CYS A 32 5.756 0.292 15.441 1.00 0.00 N ATOM 405 CA CYS A 32 6.720 1.095 16.183 1.00 0.00 C ATOM 406 C CYS A 32 6.104 2.422 16.616 1.00 0.00 C ATOM 407 O CYS A 32 6.532 3.026 17.599 1.00 0.00 O ATOM 408 CB CYS A 32 7.965 1.351 15.332 1.00 0.00 C ATOM 409 SG CYS A 32 7.701 2.523 13.962 1.00 0.00 S ATOM 0 H CYS A 32 5.882 0.312 14.429 1.00 0.00 H new ATOM 0 HA CYS A 32 7.007 0.540 17.076 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.759 1.732 15.974 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.314 0.403 14.923 1.00 0.00 H new ATOM 0 HG CYS A 32 6.792 2.055 13.159 1.00 0.00 H new ATOM 414 N GLY A 33 5.096 2.870 15.874 1.00 0.00 N ATOM 415 CA GLY A 33 4.438 4.123 16.196 1.00 0.00 C ATOM 416 C GLY A 33 5.175 5.325 15.642 1.00 0.00 C ATOM 417 O GLY A 33 5.254 6.367 16.292 1.00 0.00 O ATOM 0 H GLY A 33 4.723 2.388 15.056 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.423 4.109 15.799 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.356 4.219 17.279 1.00 0.00 H new ATOM 421 N GLY A 34 5.720 5.181 14.438 1.00 0.00 N ATOM 422 CA GLY A 34 6.450 6.271 13.818 1.00 0.00 C ATOM 423 C GLY A 34 5.675 6.920 12.689 1.00 0.00 C ATOM 424 O GLY A 34 4.875 6.267 12.019 1.00 0.00 O ATOM 0 H GLY A 34 5.669 4.328 13.881 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.685 7.022 14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.399 5.897 13.435 1.00 0.00 H new ATOM 428 N LYS A 35 5.910 8.211 12.477 1.00 0.00 N ATOM 429 CA LYS A 35 5.227 8.950 11.421 1.00 0.00 C ATOM 430 C LYS A 35 6.229 9.523 10.424 1.00 0.00 C ATOM 431 O LYS A 35 6.116 10.676 10.009 1.00 0.00 O ATOM 432 CB LYS A 35 4.387 10.079 12.022 1.00 0.00 C ATOM 433 CG LYS A 35 3.374 10.665 11.054 1.00 0.00 C ATOM 434 CD LYS A 35 2.395 11.587 11.761 1.00 0.00 C ATOM 435 CE LYS A 35 1.057 11.637 11.041 1.00 0.00 C ATOM 436 NZ LYS A 35 1.029 12.696 9.995 1.00 0.00 N ATOM 0 H LYS A 35 6.568 8.767 13.023 1.00 0.00 H new ATOM 0 HA LYS A 35 4.570 8.258 10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.862 9.702 12.900 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.052 10.873 12.364 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.895 11.217 10.271 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.827 9.858 10.566 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.246 11.244 12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.816 12.591 11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.855 10.669 10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.262 11.820 11.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.620 12.309 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.450 13.494 10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.998 13.025 9.808 1.00 0.00 H new ATOM 450 N HIS A 36 7.208 8.709 10.041 1.00 0.00 N ATOM 451 CA HIS A 36 8.228 9.134 9.090 1.00 0.00 C ATOM 452 C HIS A 36 8.341 8.145 7.934 1.00 0.00 C ATOM 453 O HIS A 36 7.753 7.064 7.971 1.00 0.00 O ATOM 454 CB HIS A 36 9.581 9.275 9.789 1.00 0.00 C ATOM 455 CG HIS A 36 9.996 8.049 10.543 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.412 7.663 11.731 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.942 7.120 10.270 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.983 6.550 12.157 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.914 6.199 11.288 1.00 0.00 N ATOM 0 H HIS A 36 7.316 7.751 10.375 1.00 0.00 H new ATOM 0 HA HIS A 36 7.932 10.103 8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.342 9.509 9.045 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.539 10.118 10.478 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.597 7.106 9.411 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.731 6.018 13.062 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.514 5.378 11.361 1.00 0.00 H new ATOM 467 N GLU A 37 9.099 8.522 6.909 1.00 0.00 N ATOM 468 CA GLU A 37 9.286 7.668 5.743 1.00 0.00 C ATOM 469 C GLU A 37 7.942 7.227 5.170 1.00 0.00 C ATOM 470 O GLU A 37 7.590 6.047 5.183 1.00 0.00 O ATOM 471 CB GLU A 37 10.123 6.441 6.110 1.00 0.00 C ATOM 472 CG GLU A 37 11.604 6.741 6.271 1.00 0.00 C ATOM 473 CD GLU A 37 12.455 5.486 6.281 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.820 5.008 5.186 1.00 0.00 O ATOM 475 OE2 GLU A 37 12.757 4.982 7.383 1.00 0.00 O ATOM 0 H GLU A 37 9.593 9.413 6.863 1.00 0.00 H new ATOM 0 HA GLU A 37 9.814 8.245 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.743 6.018 7.040 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.996 5.681 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.930 7.390 5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.761 7.290 7.200 1.00 0.00 H new ATOM 482 N PRO A 38 7.171 8.197 4.656 1.00 0.00 N ATOM 483 CA PRO A 38 5.854 7.934 4.069 1.00 0.00 C ATOM 484 C PRO A 38 5.948 7.174 2.750 1.00 0.00 C ATOM 485 O PRO A 38 4.997 6.512 2.336 1.00 0.00 O ATOM 486 CB PRO A 38 5.282 9.335 3.840 1.00 0.00 C ATOM 487 CG PRO A 38 6.477 10.215 3.707 1.00 0.00 C ATOM 488 CD PRO A 38 7.527 9.625 4.607 1.00 0.00 C ATOM 0 HA PRO A 38 5.238 7.307 4.714 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.664 9.368 2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.652 9.646 4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.823 10.250 2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.243 11.239 3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.530 9.776 4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.508 10.078 5.598 1.00 0.00 H new ATOM 496 N ASN A 39 7.100 7.275 2.095 1.00 0.00 N ATOM 497 CA ASN A 39 7.317 6.597 0.823 1.00 0.00 C ATOM 498 C ASN A 39 7.462 5.092 1.026 1.00 0.00 C ATOM 499 O ASN A 39 7.064 4.299 0.173 1.00 0.00 O ATOM 500 CB ASN A 39 8.565 7.151 0.132 1.00 0.00 C ATOM 501 CG ASN A 39 9.041 6.264 -1.001 1.00 0.00 C ATOM 502 OD1 ASN A 39 8.461 6.261 -2.087 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.102 5.505 -0.753 1.00 0.00 N ATOM 0 H ASN A 39 7.897 7.820 2.424 1.00 0.00 H new ATOM 0 HA ASN A 39 6.448 6.779 0.191 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.350 8.147 -0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.364 7.260 0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.468 4.887 -1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.551 5.540 0.162 1.00 0.00 H new ATOM 510 N MET A 40 8.033 4.706 2.162 1.00 0.00 N ATOM 511 CA MET A 40 8.228 3.295 2.479 1.00 0.00 C ATOM 512 C MET A 40 7.094 2.773 3.355 1.00 0.00 C ATOM 513 O MET A 40 7.273 1.822 4.115 1.00 0.00 O ATOM 514 CB MET A 40 9.570 3.090 3.183 1.00 0.00 C ATOM 515 CG MET A 40 10.770 3.437 2.318 1.00 0.00 C ATOM 516 SD MET A 40 11.680 1.978 1.775 1.00 0.00 S ATOM 517 CE MET A 40 12.922 1.855 3.060 1.00 0.00 C ATOM 0 H MET A 40 8.369 5.350 2.878 1.00 0.00 H new ATOM 0 HA MET A 40 8.228 2.734 1.544 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.594 3.701 4.085 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.650 2.050 3.500 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.434 3.997 1.445 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.439 4.091 2.877 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.565 0.997 2.864 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.524 2.764 3.073 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.434 1.729 4.027 1.00 0.00 H new ATOM 527 N GLN A 41 5.928 3.403 3.245 1.00 0.00 N ATOM 528 CA GLN A 41 4.767 3.001 4.029 1.00 0.00 C ATOM 529 C GLN A 41 3.767 2.235 3.169 1.00 0.00 C ATOM 530 O GLN A 41 3.386 2.689 2.089 1.00 0.00 O ATOM 531 CB GLN A 41 4.092 4.228 4.646 1.00 0.00 C ATOM 532 CG GLN A 41 4.429 4.433 6.114 1.00 0.00 C ATOM 533 CD GLN A 41 3.445 5.349 6.816 1.00 0.00 C ATOM 534 OE1 GLN A 41 2.993 5.060 7.924 1.00 0.00 O ATOM 535 NE2 GLN A 41 3.108 6.460 6.172 1.00 0.00 N ATOM 0 H GLN A 41 5.763 4.193 2.621 1.00 0.00 H new ATOM 0 HA GLN A 41 5.110 2.343 4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.388 5.115 4.086 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.012 4.130 4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.443 3.467 6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.432 4.851 6.198 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.508 6.659 5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.449 7.114 6.594 1.00 0.00 H new ATOM 544 N LEU A 42 3.346 1.072 3.653 1.00 0.00 N ATOM 545 CA LEU A 42 2.391 0.242 2.928 1.00 0.00 C ATOM 546 C LEU A 42 0.981 0.425 3.481 1.00 0.00 C ATOM 547 O LEU A 42 0.741 0.234 4.674 1.00 0.00 O ATOM 548 CB LEU A 42 2.796 -1.230 3.013 1.00 0.00 C ATOM 549 CG LEU A 42 4.293 -1.522 2.892 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.564 -3.006 3.083 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.821 -1.050 1.545 1.00 0.00 C ATOM 0 H LEU A 42 3.651 0.682 4.545 1.00 0.00 H new ATOM 0 HA LEU A 42 2.396 0.554 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.444 -1.629 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.275 -1.776 2.226 1.00 0.00 H new ATOM 0 HG LEU A 42 4.816 -0.974 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.634 -3.195 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.222 -3.314 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.030 -3.574 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.887 -1.266 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.293 -1.570 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.661 0.024 1.447 1.00 0.00 H new ATOM 563 N LEU A 43 0.051 0.795 2.607 1.00 0.00 N ATOM 564 CA LEU A 43 -1.336 1.002 3.006 1.00 0.00 C ATOM 565 C LEU A 43 -2.168 -0.251 2.753 1.00 0.00 C ATOM 566 O LEU A 43 -1.977 -0.945 1.754 1.00 0.00 O ATOM 567 CB LEU A 43 -1.935 2.187 2.248 1.00 0.00 C ATOM 568 CG LEU A 43 -2.534 3.301 3.107 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.750 2.794 3.867 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.492 3.849 4.071 1.00 0.00 C ATOM 0 H LEU A 43 0.233 0.958 1.617 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.352 1.217 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.158 2.620 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.712 1.811 1.583 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.853 4.109 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.163 3.601 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.504 2.450 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.456 1.968 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.935 4.641 4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.143 3.048 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.650 4.251 3.507 1.00 0.00 H new ATOM 582 N CYS A 44 -3.094 -0.535 3.664 1.00 0.00 N ATOM 583 CA CYS A 44 -3.957 -1.703 3.539 1.00 0.00 C ATOM 584 C CYS A 44 -5.177 -1.389 2.678 1.00 0.00 C ATOM 585 O CYS A 44 -5.705 -0.277 2.713 1.00 0.00 O ATOM 586 CB CYS A 44 -4.406 -2.181 4.922 1.00 0.00 C ATOM 587 SG CYS A 44 -5.363 -3.731 4.898 1.00 0.00 S ATOM 0 H CYS A 44 -3.265 0.028 4.497 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.386 -2.495 3.054 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.526 -2.319 5.550 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.010 -1.401 5.386 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.048 -4.451 5.933 1.00 0.00 H new ATOM 592 N ASP A 45 -5.617 -2.375 1.905 1.00 0.00 N ATOM 593 CA ASP A 45 -6.775 -2.205 1.034 1.00 0.00 C ATOM 594 C ASP A 45 -8.043 -2.719 1.710 1.00 0.00 C ATOM 595 O ASP A 45 -8.984 -3.144 1.041 1.00 0.00 O ATOM 596 CB ASP A 45 -6.556 -2.937 -0.291 1.00 0.00 C ATOM 597 CG ASP A 45 -6.703 -2.020 -1.490 1.00 0.00 C ATOM 598 OD1 ASP A 45 -7.626 -1.179 -1.484 1.00 0.00 O ATOM 599 OD2 ASP A 45 -5.894 -2.144 -2.433 1.00 0.00 O ATOM 0 H ASP A 45 -5.190 -3.300 1.863 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.896 -1.140 0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.561 -3.382 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.271 -3.755 -0.373 1.00 0.00 H new ATOM 604 N GLU A 46 -8.058 -2.677 3.038 1.00 0.00 N ATOM 605 CA GLU A 46 -9.210 -3.140 3.803 1.00 0.00 C ATOM 606 C GLU A 46 -9.509 -2.194 4.963 1.00 0.00 C ATOM 607 O GLU A 46 -10.612 -1.657 5.072 1.00 0.00 O ATOM 608 CB GLU A 46 -8.962 -4.553 4.335 1.00 0.00 C ATOM 609 CG GLU A 46 -10.209 -5.224 4.887 1.00 0.00 C ATOM 610 CD GLU A 46 -11.294 -5.389 3.840 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.174 -6.306 3.001 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.263 -4.602 3.862 1.00 0.00 O ATOM 0 H GLU A 46 -7.286 -2.328 3.606 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.073 -3.156 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.554 -5.168 3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.206 -4.509 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.944 -6.202 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.597 -4.634 5.717 1.00 0.00 H new ATOM 619 N CYS A 47 -8.520 -1.996 5.827 1.00 0.00 N ATOM 620 CA CYS A 47 -8.675 -1.116 6.980 1.00 0.00 C ATOM 621 C CYS A 47 -8.005 0.231 6.730 1.00 0.00 C ATOM 622 O CYS A 47 -8.222 1.191 7.469 1.00 0.00 O ATOM 623 CB CYS A 47 -8.082 -1.769 8.230 1.00 0.00 C ATOM 624 SG CYS A 47 -6.302 -2.134 8.104 1.00 0.00 S ATOM 0 H CYS A 47 -7.602 -2.433 5.751 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.741 -0.948 7.137 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.248 -1.112 9.084 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.619 -2.696 8.432 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.057 -2.711 6.965 1.00 0.00 H new ATOM 629 N ASN A 48 -7.189 0.295 5.682 1.00 0.00 N ATOM 630 CA ASN A 48 -6.487 1.525 5.334 1.00 0.00 C ATOM 631 C ASN A 48 -5.514 1.927 6.439 1.00 0.00 C ATOM 632 O ASN A 48 -5.676 2.969 7.075 1.00 0.00 O ATOM 633 CB ASN A 48 -7.487 2.655 5.084 1.00 0.00 C ATOM 634 CG ASN A 48 -8.629 2.227 4.183 1.00 0.00 C ATOM 635 OD1 ASN A 48 -8.413 1.630 3.129 1.00 0.00 O ATOM 636 ND2 ASN A 48 -9.854 2.533 4.595 1.00 0.00 N ATOM 0 H ASN A 48 -6.998 -0.490 5.060 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.919 1.344 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.889 2.998 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.969 3.501 4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.662 2.272 4.030 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.987 3.029 5.476 1.00 0.00 H new ATOM 643 N VAL A 49 -4.503 1.093 6.662 1.00 0.00 N ATOM 644 CA VAL A 49 -3.503 1.362 7.688 1.00 0.00 C ATOM 645 C VAL A 49 -2.101 1.410 7.090 1.00 0.00 C ATOM 646 O VAL A 49 -1.743 0.581 6.254 1.00 0.00 O ATOM 647 CB VAL A 49 -3.538 0.296 8.799 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.084 -1.052 8.261 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.678 0.727 9.978 1.00 0.00 C ATOM 0 H VAL A 49 -4.355 0.226 6.146 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.745 2.334 8.119 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.566 0.193 9.147 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.115 -1.792 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.746 -1.363 7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.065 -0.969 7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.714 -0.038 10.754 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.648 0.860 9.648 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.055 1.668 10.379 1.00 0.00 H new ATOM 659 N ALA A 50 -1.311 2.387 7.525 1.00 0.00 N ATOM 660 CA ALA A 50 0.053 2.542 7.035 1.00 0.00 C ATOM 661 C ALA A 50 1.040 1.773 7.906 1.00 0.00 C ATOM 662 O ALA A 50 1.099 1.973 9.119 1.00 0.00 O ATOM 663 CB ALA A 50 0.430 4.015 6.980 1.00 0.00 C ATOM 0 H ALA A 50 -1.593 3.083 8.216 1.00 0.00 H new ATOM 0 HA ALA A 50 0.100 2.129 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.451 4.116 6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.251 4.540 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.360 4.446 7.979 1.00 0.00 H new ATOM 669 N TYR A 51 1.813 0.892 7.280 1.00 0.00 N ATOM 670 CA TYR A 51 2.796 0.091 8.000 1.00 0.00 C ATOM 671 C TYR A 51 4.146 0.119 7.290 1.00 0.00 C ATOM 672 O TYR A 51 4.220 0.014 6.066 1.00 0.00 O ATOM 673 CB TYR A 51 2.308 -1.353 8.134 1.00 0.00 C ATOM 674 CG TYR A 51 1.435 -1.587 9.346 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.949 -1.465 10.631 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.095 -1.929 9.206 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.155 -1.679 11.741 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.707 -2.143 10.310 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.172 -2.017 11.575 1.00 0.00 C ATOM 680 OH TYR A 51 -0.967 -2.230 12.679 1.00 0.00 O ATOM 0 H TYR A 51 1.778 0.715 6.276 1.00 0.00 H new ATOM 0 HA TYR A 51 2.919 0.520 8.994 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.751 -1.624 7.237 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.171 -2.016 8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.987 -1.198 10.764 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.326 -2.029 8.217 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.571 -1.582 12.733 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.746 -2.407 10.183 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.443 -3.081 12.580 1.00 0.00 H new ATOM 690 N HIS A 52 5.214 0.262 8.070 1.00 0.00 N ATOM 691 CA HIS A 52 6.563 0.303 7.518 1.00 0.00 C ATOM 692 C HIS A 52 6.961 -1.057 6.953 1.00 0.00 C ATOM 693 O HIS A 52 6.355 -2.078 7.283 1.00 0.00 O ATOM 694 CB HIS A 52 7.563 0.735 8.592 1.00 0.00 C ATOM 695 CG HIS A 52 7.360 2.140 9.069 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.860 2.607 10.266 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.708 3.182 8.502 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.523 3.876 10.415 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.824 4.249 9.358 1.00 0.00 N ATOM 0 H HIS A 52 5.171 0.351 9.085 1.00 0.00 H new ATOM 0 HA HIS A 52 6.575 1.031 6.707 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.486 0.057 9.442 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.574 0.637 8.196 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.193 3.175 7.553 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.776 4.502 11.258 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.434 5.179 9.203 1.00 0.00 H new ATOM 707 N ILE A 53 7.981 -1.064 6.102 1.00 0.00 N ATOM 708 CA ILE A 53 8.458 -2.298 5.492 1.00 0.00 C ATOM 709 C ILE A 53 9.371 -3.064 6.444 1.00 0.00 C ATOM 710 O ILE A 53 9.661 -4.241 6.229 1.00 0.00 O ATOM 711 CB ILE A 53 9.218 -2.022 4.181 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.429 -1.125 4.448 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.293 -1.381 3.158 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.694 -1.600 3.767 1.00 0.00 C ATOM 0 H ILE A 53 8.493 -0.228 5.819 1.00 0.00 H new ATOM 0 HA ILE A 53 7.578 -2.901 5.271 1.00 0.00 H new ATOM 0 HB ILE A 53 9.573 -2.970 3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.203 -0.113 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.602 -1.072 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.844 -1.192 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.459 -2.052 2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.911 -0.439 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.511 -0.917 4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.945 -2.600 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.539 -1.626 2.688 1.00 0.00 H new ATOM 726 N TYR A 54 9.819 -2.389 7.496 1.00 0.00 N ATOM 727 CA TYR A 54 10.699 -3.005 8.481 1.00 0.00 C ATOM 728 C TYR A 54 10.017 -3.092 9.843 1.00 0.00 C ATOM 729 O TYR A 54 10.679 -3.125 10.881 1.00 0.00 O ATOM 730 CB TYR A 54 12.002 -2.212 8.600 1.00 0.00 C ATOM 731 CG TYR A 54 11.793 -0.716 8.688 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.495 -0.107 9.900 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.894 0.086 7.559 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.303 1.258 9.986 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.705 1.453 7.634 1.00 0.00 C ATOM 736 CZ TYR A 54 11.410 2.034 8.850 1.00 0.00 C ATOM 737 OH TYR A 54 11.220 3.395 8.929 1.00 0.00 O ATOM 0 H TYR A 54 9.587 -1.415 7.689 1.00 0.00 H new ATOM 0 HA TYR A 54 10.927 -4.016 8.144 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.543 -2.548 9.485 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.632 -2.433 7.738 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.412 -0.712 10.791 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.124 -0.366 6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.071 1.715 10.936 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.788 2.063 6.746 1.00 0.00 H new ATOM 0 HH TYR A 54 11.853 3.849 8.334 1.00 0.00 H new ATOM 747 N CYS A 55 8.689 -3.128 9.831 1.00 0.00 N ATOM 748 CA CYS A 55 7.915 -3.211 11.063 1.00 0.00 C ATOM 749 C CYS A 55 6.785 -4.229 10.929 1.00 0.00 C ATOM 750 O CYS A 55 5.806 -4.188 11.675 1.00 0.00 O ATOM 751 CB CYS A 55 7.339 -1.839 11.422 1.00 0.00 C ATOM 752 SG CYS A 55 8.592 -0.615 11.921 1.00 0.00 S ATOM 0 H CYS A 55 8.126 -3.101 8.981 1.00 0.00 H new ATOM 0 HA CYS A 55 8.583 -3.538 11.860 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.789 -1.452 10.564 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.621 -1.959 12.233 1.00 0.00 H new ATOM 0 HG CYS A 55 9.555 -0.599 11.047 1.00 0.00 H new ATOM 757 N LEU A 56 6.929 -5.141 9.974 1.00 0.00 N ATOM 758 CA LEU A 56 5.922 -6.170 9.741 1.00 0.00 C ATOM 759 C LEU A 56 6.238 -7.431 10.540 1.00 0.00 C ATOM 760 O LEU A 56 7.212 -7.475 11.289 1.00 0.00 O ATOM 761 CB LEU A 56 5.842 -6.504 8.250 1.00 0.00 C ATOM 762 CG LEU A 56 5.053 -5.522 7.384 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.151 -5.906 5.916 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.598 -5.470 7.827 1.00 0.00 C ATOM 0 H LEU A 56 7.733 -5.189 9.349 1.00 0.00 H new ATOM 0 HA LEU A 56 4.958 -5.783 10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.857 -6.569 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.395 -7.492 8.143 1.00 0.00 H new ATOM 0 HG LEU A 56 5.486 -4.529 7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.583 -5.195 5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.196 -5.891 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.745 -6.907 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.052 -4.766 7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.153 -6.461 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.545 -5.146 8.866 1.00 0.00 H new ATOM 776 N ASN A 57 5.407 -8.454 10.372 1.00 0.00 N ATOM 777 CA ASN A 57 5.598 -9.717 11.076 1.00 0.00 C ATOM 778 C ASN A 57 5.107 -10.890 10.233 1.00 0.00 C ATOM 779 O ASN A 57 3.922 -11.226 10.223 1.00 0.00 O ATOM 780 CB ASN A 57 4.861 -9.694 12.417 1.00 0.00 C ATOM 781 CG ASN A 57 5.301 -10.815 13.338 1.00 0.00 C ATOM 782 OD1 ASN A 57 6.492 -10.988 13.598 1.00 0.00 O ATOM 783 ND2 ASN A 57 4.340 -11.583 13.837 1.00 0.00 N ATOM 0 H ASN A 57 4.595 -8.434 9.755 1.00 0.00 H new ATOM 0 HA ASN A 57 6.665 -9.845 11.258 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.034 -8.736 12.907 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.788 -9.773 12.240 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.576 -12.353 14.463 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.366 -11.403 13.594 1.00 0.00 H new ATOM 790 N PRO A 58 6.037 -11.529 9.509 1.00 0.00 N ATOM 791 CA PRO A 58 7.450 -11.138 9.513 1.00 0.00 C ATOM 792 C PRO A 58 7.683 -9.802 8.815 1.00 0.00 C ATOM 793 O PRO A 58 6.802 -9.261 8.147 1.00 0.00 O ATOM 794 CB PRO A 58 8.134 -12.270 8.743 1.00 0.00 C ATOM 795 CG PRO A 58 7.068 -12.829 7.865 1.00 0.00 C ATOM 796 CD PRO A 58 5.782 -12.683 8.630 1.00 0.00 C ATOM 0 HA PRO A 58 7.832 -11.001 10.525 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.975 -11.899 8.157 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.527 -13.028 9.420 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.021 -12.292 6.918 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.265 -13.875 7.629 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.937 -12.503 7.965 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.551 -13.581 9.203 1.00 0.00 H new ATOM 804 N PRO A 59 8.898 -9.256 8.973 1.00 0.00 N ATOM 805 CA PRO A 59 9.276 -7.977 8.364 1.00 0.00 C ATOM 806 C PRO A 59 9.407 -8.073 6.848 1.00 0.00 C ATOM 807 O PRO A 59 9.139 -9.119 6.256 1.00 0.00 O ATOM 808 CB PRO A 59 10.633 -7.668 9.000 1.00 0.00 C ATOM 809 CG PRO A 59 11.183 -8.999 9.384 1.00 0.00 C ATOM 810 CD PRO A 59 9.997 -9.845 9.756 1.00 0.00 C ATOM 0 HA PRO A 59 8.525 -7.206 8.536 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.291 -7.155 8.299 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.524 -7.019 9.869 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.737 -9.445 8.558 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.876 -8.908 10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.155 -10.893 9.501 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.794 -9.804 10.826 1.00 0.00 H new ATOM 818 N LEU A 60 9.823 -6.976 6.224 1.00 0.00 N ATOM 819 CA LEU A 60 9.991 -6.936 4.776 1.00 0.00 C ATOM 820 C LEU A 60 11.324 -6.297 4.399 1.00 0.00 C ATOM 821 O LEU A 60 11.582 -5.138 4.726 1.00 0.00 O ATOM 822 CB LEU A 60 8.840 -6.162 4.130 1.00 0.00 C ATOM 823 CG LEU A 60 7.769 -7.006 3.439 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.646 -6.121 2.918 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.378 -7.819 2.306 1.00 0.00 C ATOM 0 H LEU A 60 10.050 -6.102 6.699 1.00 0.00 H new ATOM 0 HA LEU A 60 9.984 -7.961 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.358 -5.558 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.259 -5.472 3.398 1.00 0.00 H new ATOM 0 HG LEU A 60 7.351 -7.697 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.893 -6.739 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.191 -5.584 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.049 -5.406 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.601 -8.413 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.824 -7.146 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.146 -8.481 2.705 1.00 0.00 H new ATOM 837 N ASP A 61 12.165 -7.058 3.709 1.00 0.00 N ATOM 838 CA ASP A 61 13.470 -6.565 3.285 1.00 0.00 C ATOM 839 C ASP A 61 13.332 -5.260 2.507 1.00 0.00 C ATOM 840 O ASP A 61 14.241 -4.430 2.498 1.00 0.00 O ATOM 841 CB ASP A 61 14.181 -7.612 2.426 1.00 0.00 C ATOM 842 CG ASP A 61 14.758 -8.744 3.253 1.00 0.00 C ATOM 843 OD1 ASP A 61 13.983 -9.412 3.968 1.00 0.00 O ATOM 844 OD2 ASP A 61 15.987 -8.962 3.186 1.00 0.00 O ATOM 0 H ASP A 61 11.967 -8.019 3.431 1.00 0.00 H new ATOM 0 HA ASP A 61 14.065 -6.374 4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.479 -8.019 1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.982 -7.133 1.863 1.00 0.00 H new ATOM 849 N LYS A 62 12.188 -5.086 1.854 1.00 0.00 N ATOM 850 CA LYS A 62 11.928 -3.882 1.072 1.00 0.00 C ATOM 851 C LYS A 62 10.445 -3.758 0.741 1.00 0.00 C ATOM 852 O LYS A 62 9.621 -4.524 1.241 1.00 0.00 O ATOM 853 CB LYS A 62 12.751 -3.900 -0.218 1.00 0.00 C ATOM 854 CG LYS A 62 12.322 -4.980 -1.197 1.00 0.00 C ATOM 855 CD LYS A 62 12.997 -4.808 -2.548 1.00 0.00 C ATOM 856 CE LYS A 62 13.877 -6.001 -2.887 1.00 0.00 C ATOM 857 NZ LYS A 62 13.917 -6.261 -4.353 1.00 0.00 N ATOM 0 H LYS A 62 11.426 -5.764 1.851 1.00 0.00 H new ATOM 0 HA LYS A 62 12.221 -3.019 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.671 -2.928 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.802 -4.045 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.567 -5.961 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.240 -4.949 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.239 -4.682 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.600 -3.900 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.888 -5.822 -2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.504 -6.886 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.527 -7.082 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.955 -6.457 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.297 -5.426 -4.843 1.00 0.00 H new ATOM 871 N VAL A 63 10.111 -2.790 -0.106 1.00 0.00 N ATOM 872 CA VAL A 63 8.727 -2.567 -0.507 1.00 0.00 C ATOM 873 C VAL A 63 8.309 -3.541 -1.603 1.00 0.00 C ATOM 874 O VAL A 63 9.029 -3.765 -2.577 1.00 0.00 O ATOM 875 CB VAL A 63 8.512 -1.126 -1.006 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.058 -0.908 -1.398 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.942 -0.125 0.056 1.00 0.00 C ATOM 0 H VAL A 63 10.781 -2.147 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 63 8.111 -2.733 0.377 1.00 0.00 H new ATOM 0 HB VAL A 63 9.129 -0.970 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.925 0.116 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.788 -1.602 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.418 -1.082 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.783 0.888 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.353 -0.278 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.999 -0.267 0.283 1.00 0.00 H new ATOM 887 N PRO A 64 7.117 -4.135 -1.444 1.00 0.00 N ATOM 888 CA PRO A 64 6.575 -5.094 -2.411 1.00 0.00 C ATOM 889 C PRO A 64 6.179 -4.430 -3.726 1.00 0.00 C ATOM 890 O PRO A 64 6.380 -3.231 -3.910 1.00 0.00 O ATOM 891 CB PRO A 64 5.340 -5.654 -1.701 1.00 0.00 C ATOM 892 CG PRO A 64 4.933 -4.584 -0.748 1.00 0.00 C ATOM 893 CD PRO A 64 6.206 -3.915 -0.308 1.00 0.00 C ATOM 0 HA PRO A 64 7.307 -5.854 -2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.543 -5.877 -2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.571 -6.583 -1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.262 -3.870 -1.226 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.398 -5.003 0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.055 -2.853 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.595 -4.355 0.610 1.00 0.00 H new ATOM 901 N GLU A 65 5.614 -5.219 -4.635 1.00 0.00 N ATOM 902 CA GLU A 65 5.191 -4.706 -5.932 1.00 0.00 C ATOM 903 C GLU A 65 4.202 -5.659 -6.598 1.00 0.00 C ATOM 904 O GLU A 65 4.085 -5.694 -7.822 1.00 0.00 O ATOM 905 CB GLU A 65 6.402 -4.494 -6.842 1.00 0.00 C ATOM 906 CG GLU A 65 6.506 -3.085 -7.399 1.00 0.00 C ATOM 907 CD GLU A 65 7.850 -2.810 -8.046 1.00 0.00 C ATOM 908 OE1 GLU A 65 8.114 -3.378 -9.127 1.00 0.00 O ATOM 909 OE2 GLU A 65 8.637 -2.029 -7.473 1.00 0.00 O ATOM 0 H GLU A 65 5.439 -6.214 -4.497 1.00 0.00 H new ATOM 0 HA GLU A 65 4.695 -3.749 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.310 -4.723 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.351 -5.200 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.715 -2.929 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.341 -2.368 -6.595 1.00 0.00 H new ATOM 916 N GLU A 66 3.492 -6.432 -5.780 1.00 0.00 N ATOM 917 CA GLU A 66 2.515 -7.387 -6.290 1.00 0.00 C ATOM 918 C GLU A 66 1.189 -6.696 -6.596 1.00 0.00 C ATOM 919 O GLU A 66 1.100 -5.469 -6.588 1.00 0.00 O ATOM 920 CB GLU A 66 2.295 -8.513 -5.278 1.00 0.00 C ATOM 921 CG GLU A 66 3.583 -9.150 -4.786 1.00 0.00 C ATOM 922 CD GLU A 66 4.169 -8.430 -3.587 1.00 0.00 C ATOM 923 OE1 GLU A 66 3.424 -8.198 -2.612 1.00 0.00 O ATOM 924 OE2 GLU A 66 5.372 -8.099 -3.624 1.00 0.00 O ATOM 0 H GLU A 66 3.575 -6.415 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 66 2.906 -7.811 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.745 -8.119 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.670 -9.282 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.392 -10.190 -4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.314 -9.155 -5.595 1.00 0.00 H new ATOM 931 N GLU A 67 0.161 -7.495 -6.866 1.00 0.00 N ATOM 932 CA GLU A 67 -1.160 -6.961 -7.176 1.00 0.00 C ATOM 933 C GLU A 67 -1.611 -5.971 -6.107 1.00 0.00 C ATOM 934 O GLU A 67 -2.047 -4.862 -6.417 1.00 0.00 O ATOM 935 CB GLU A 67 -2.178 -8.097 -7.298 1.00 0.00 C ATOM 936 CG GLU A 67 -3.294 -7.810 -8.288 1.00 0.00 C ATOM 937 CD GLU A 67 -3.712 -9.042 -9.068 1.00 0.00 C ATOM 938 OE1 GLU A 67 -2.902 -9.533 -9.882 1.00 0.00 O ATOM 939 OE2 GLU A 67 -4.850 -9.515 -8.864 1.00 0.00 O ATOM 0 H GLU A 67 0.218 -8.513 -6.876 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.097 -6.436 -8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.660 -9.007 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.614 -8.290 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.157 -7.413 -7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.968 -7.037 -8.984 1.00 0.00 H new ATOM 946 N TYR A 68 -1.504 -6.380 -4.848 1.00 0.00 N ATOM 947 CA TYR A 68 -1.903 -5.531 -3.731 1.00 0.00 C ATOM 948 C TYR A 68 -1.187 -5.943 -2.449 1.00 0.00 C ATOM 949 O TYR A 68 -0.555 -6.998 -2.390 1.00 0.00 O ATOM 950 CB TYR A 68 -3.418 -5.600 -3.528 1.00 0.00 C ATOM 951 CG TYR A 68 -3.970 -7.007 -3.564 1.00 0.00 C ATOM 952 CD1 TYR A 68 -3.767 -7.881 -2.503 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.694 -7.463 -4.658 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.269 -9.168 -2.531 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.201 -8.747 -4.695 1.00 0.00 C ATOM 956 CZ TYR A 68 -4.985 -9.596 -3.629 1.00 0.00 C ATOM 957 OH TYR A 68 -5.487 -10.877 -3.662 1.00 0.00 O ATOM 0 H TYR A 68 -1.144 -7.295 -4.575 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.621 -4.505 -3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.669 -5.145 -2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.907 -5.007 -4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.207 -7.549 -1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.864 -6.802 -5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.102 -9.835 -1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.763 -9.085 -5.553 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.967 -11.019 -4.505 1.00 0.00 H new ATOM 967 N TRP A 69 -1.291 -5.104 -1.425 1.00 0.00 N ATOM 968 CA TRP A 69 -0.654 -5.381 -0.143 1.00 0.00 C ATOM 969 C TRP A 69 -1.644 -5.212 1.004 1.00 0.00 C ATOM 970 O TRP A 69 -2.269 -4.161 1.148 1.00 0.00 O ATOM 971 CB TRP A 69 0.547 -4.456 0.063 1.00 0.00 C ATOM 972 CG TRP A 69 1.248 -4.675 1.370 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.344 -5.459 1.590 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.899 -4.105 2.636 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.698 -5.410 2.917 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.828 -4.586 3.580 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.106 -3.234 3.064 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.778 -4.225 4.923 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.154 -2.876 4.398 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.783 -3.370 5.315 1.00 0.00 C ATOM 0 H TRP A 69 -1.810 -4.227 -1.457 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.310 -6.415 -0.152 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.256 -4.606 -0.751 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.213 -3.420 0.007 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.857 -6.033 0.833 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.482 -5.907 3.340 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.833 -2.847 2.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.499 -4.606 5.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.927 -2.204 4.740 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.719 -3.071 6.351 1.00 0.00 H new ATOM 991 N TYR A 70 -1.782 -6.253 1.818 1.00 0.00 N ATOM 992 CA TYR A 70 -2.699 -6.220 2.952 1.00 0.00 C ATOM 993 C TYR A 70 -1.947 -6.408 4.266 1.00 0.00 C ATOM 994 O TYR A 70 -1.159 -7.342 4.416 1.00 0.00 O ATOM 995 CB TYR A 70 -3.766 -7.306 2.803 1.00 0.00 C ATOM 996 CG TYR A 70 -4.872 -6.939 1.839 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.599 -6.682 0.502 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.191 -6.850 2.267 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.606 -6.346 -0.382 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.206 -6.515 1.390 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.908 -6.264 0.067 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.914 -5.931 -0.810 1.00 0.00 O ATOM 0 H TYR A 70 -1.271 -7.130 1.714 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.183 -5.243 2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.291 -8.227 2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.201 -7.513 3.781 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.581 -6.746 0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.427 -7.046 3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.375 -6.149 -1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.226 -6.450 1.739 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.771 -5.918 -0.335 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.197 -5.514 5.216 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.545 -5.578 6.519 1.00 0.00 C ATOM 1014 C CYS A 71 -1.689 -6.969 7.130 1.00 0.00 C ATOM 1015 O CYS A 71 -2.614 -7.719 6.818 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.139 -4.530 7.462 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.788 -4.961 8.107 1.00 0.00 S ATOM 0 H CYS A 71 -2.847 -4.736 5.108 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.484 -5.370 6.378 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.459 -4.385 8.301 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.204 -3.578 6.935 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.560 -3.916 8.058 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.752 -7.322 8.023 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.752 -8.623 8.698 1.00 0.00 C ATOM 1024 C PRO A 72 -1.895 -8.758 9.698 1.00 0.00 C ATOM 1025 O PRO A 72 -2.140 -9.838 10.234 1.00 0.00 O ATOM 1026 CB PRO A 72 0.597 -8.648 9.421 1.00 0.00 C ATOM 1027 CG PRO A 72 0.942 -7.214 9.627 1.00 0.00 C ATOM 1028 CD PRO A 72 0.379 -6.478 8.442 1.00 0.00 C ATOM 0 HA PRO A 72 -0.890 -9.446 7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.528 -9.179 10.370 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.356 -9.156 8.826 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.515 -6.840 10.558 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.021 -7.078 9.694 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.053 -5.473 8.711 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.117 -6.372 7.647 1.00 0.00 H new ATOM 1036 N SER A 73 -2.593 -7.653 9.943 1.00 0.00 N ATOM 1037 CA SER A 73 -3.709 -7.647 10.882 1.00 0.00 C ATOM 1038 C SER A 73 -5.013 -8.012 10.179 1.00 0.00 C ATOM 1039 O SER A 73 -6.005 -8.354 10.823 1.00 0.00 O ATOM 1040 CB SER A 73 -3.840 -6.273 11.543 1.00 0.00 C ATOM 1041 OG SER A 73 -4.315 -6.390 12.873 1.00 0.00 O ATOM 0 H SER A 73 -2.405 -6.751 9.505 1.00 0.00 H new ATOM 0 HA SER A 73 -3.509 -8.394 11.650 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.872 -5.772 11.542 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.522 -5.651 10.963 1.00 0.00 H new ATOM 0 HG SER A 73 -4.388 -5.499 13.274 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.003 -7.938 8.852 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.183 -8.259 8.058 1.00 0.00 C ATOM 1049 C CYS A 74 -6.045 -9.635 7.412 1.00 0.00 C ATOM 1050 O CYS A 74 -6.926 -10.485 7.540 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.403 -7.196 6.980 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.303 -5.723 7.561 1.00 0.00 S ATOM 0 H CYS A 74 -4.190 -7.658 8.304 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.046 -8.274 8.724 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.434 -6.886 6.588 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.954 -7.642 6.152 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.472 -4.733 7.698 1.00 0.00 H new ATOM 1057 N LYS A 75 -4.933 -9.847 6.716 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.677 -11.118 6.050 1.00 0.00 C ATOM 1059 C LYS A 75 -4.857 -12.284 7.017 1.00 0.00 C ATOM 1060 O LYS A 75 -4.039 -12.492 7.914 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.262 -11.137 5.468 1.00 0.00 C ATOM 1062 CG LYS A 75 -2.837 -12.499 4.947 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.566 -12.407 4.119 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.725 -13.103 2.776 1.00 0.00 C ATOM 1065 NZ LYS A 75 -1.898 -14.574 2.930 1.00 0.00 N ATOM 0 H LYS A 75 -4.194 -9.154 6.599 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.397 -11.227 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.202 -10.412 4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.558 -10.815 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.678 -13.177 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.637 -12.924 4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.309 -11.360 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.739 -12.858 4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.587 -12.689 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.850 -12.903 2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.003 -15.011 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.065 -14.974 3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.747 -14.766 3.499 1.00 0.00 H new