USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=23 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= 0.76 USER MOD Set 1.2: A 47 CYS SG : rot -47:sc= 0.438 USER MOD Set 1.3: A 71 CYS SG : rot -136:sc= 0.627 USER MOD Set 1.4: A 74 CYS SG : rot 105:sc= 0.0399 USER MOD Set 2.1: A 29 CYS SG : rot 165:sc= 0.66 USER MOD Set 2.2: A 32 CYS SG : rot -60:sc= 0.727 USER MOD Set 2.3: A 52 HIS : no HD1:sc= -1.22 K(o=0.59,f=0.068) USER MOD Set 2.4: A 55 CYS SG : rot 49:sc= 0.42 USER MOD Set 3.1: A 13 CYS SG : rot 173:sc= 0.518 USER MOD Set 3.2: A 16 CYS SG : rot -46:sc= 1 USER MOD Set 3.3: A 24 CYS SG : rot 128:sc= -0.204 USER MOD Set 3.4: A 27 CYS SG : rot 140:sc= 1.02 USER MOD Single : A 22 LYS NZ :NH3+ 143:sc= 0.345 (180deg=0.0246) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc=-0.00183 (180deg=-0.552) USER MOD Single : A 25 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 105:sc= 0.906 USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0452) USER MOD Single : A 36 HIS : no HD1:sc= -0.0965 K(o=-0.096,f=-0.73) USER MOD Single : A 39 ASN : amide:sc= -1.33 K(o=-1.3,f=-3!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.12 F(o=-1.9,f=-1.1) USER MOD Single : A 48 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.12) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.721 USER MOD Single : A 54 TYR OH : rot -172:sc= 1.26 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= -0.026 (180deg=-0.248) 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 -10.146 11.394 10.839 1.00 0.00 N ATOM 146 CA CYS A 13 -9.440 10.670 11.889 1.00 0.00 C ATOM 147 C CYS A 13 -9.515 11.422 13.214 1.00 0.00 C ATOM 148 O CYS A 13 -9.139 12.592 13.298 1.00 0.00 O ATOM 149 CB CYS A 13 -7.977 10.455 11.493 1.00 0.00 C ATOM 150 SG CYS A 13 -7.108 9.215 12.505 1.00 0.00 S ATOM 0 HA CYS A 13 -9.922 9.701 12.015 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.936 10.149 10.448 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.448 11.405 11.568 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.933 8.987 11.997 1.00 0.00 H new ATOM 155 N ASP A 14 -10.002 10.743 14.247 1.00 0.00 N ATOM 156 CA ASP A 14 -10.125 11.346 15.569 1.00 0.00 C ATOM 157 C ASP A 14 -8.875 11.085 16.404 1.00 0.00 C ATOM 158 O ASP A 14 -8.543 11.858 17.303 1.00 0.00 O ATOM 159 CB ASP A 14 -11.358 10.799 16.290 1.00 0.00 C ATOM 160 CG ASP A 14 -12.534 10.599 15.354 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.703 11.421 14.429 1.00 0.00 O ATOM 162 OD2 ASP A 14 -13.284 9.619 15.546 1.00 0.00 O ATOM 0 H ASP A 14 -10.318 9.775 14.194 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.236 12.423 15.441 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.108 9.849 16.762 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.644 11.486 17.087 1.00 0.00 H new ATOM 167 N LEU A 15 -8.186 9.990 16.101 1.00 0.00 N ATOM 168 CA LEU A 15 -6.972 9.626 16.824 1.00 0.00 C ATOM 169 C LEU A 15 -5.987 10.790 16.856 1.00 0.00 C ATOM 170 O LEU A 15 -5.342 11.044 17.873 1.00 0.00 O ATOM 171 CB LEU A 15 -6.316 8.405 16.177 1.00 0.00 C ATOM 172 CG LEU A 15 -6.994 7.060 16.442 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.478 6.440 15.140 1.00 0.00 C ATOM 174 CD2 LEU A 15 -6.042 6.116 17.162 1.00 0.00 C ATOM 0 H LEU A 15 -8.447 9.339 15.360 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.249 9.381 17.849 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.280 8.565 15.099 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.285 8.344 16.525 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.859 7.231 17.083 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.958 5.484 15.349 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.194 7.109 14.663 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.629 6.283 14.474 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.541 5.164 17.342 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.158 5.951 16.546 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.744 6.556 18.114 1.00 0.00 H new ATOM 186 N CYS A 16 -5.876 11.495 15.735 1.00 0.00 N ATOM 187 CA CYS A 16 -4.972 12.633 15.633 1.00 0.00 C ATOM 188 C CYS A 16 -5.738 13.909 15.296 1.00 0.00 C ATOM 189 O CYS A 16 -5.391 14.995 15.758 1.00 0.00 O ATOM 190 CB CYS A 16 -3.904 12.370 14.569 1.00 0.00 C ATOM 191 SG CYS A 16 -4.577 11.921 12.937 1.00 0.00 S ATOM 0 H CYS A 16 -6.402 11.297 14.884 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.487 12.766 16.600 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.285 13.261 14.463 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.252 11.568 14.914 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.510 11.027 13.083 1.00 0.00 H new ATOM 196 N GLY A 17 -6.783 13.768 14.486 1.00 0.00 N ATOM 197 CA GLY A 17 -7.583 14.917 14.101 1.00 0.00 C ATOM 198 C GLY A 17 -7.362 15.318 12.655 1.00 0.00 C ATOM 199 O GLY A 17 -8.236 15.917 12.030 1.00 0.00 O ATOM 0 H GLY A 17 -7.090 12.880 14.090 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.638 14.690 14.255 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.340 15.759 14.750 1.00 0.00 H new ATOM 203 N GLY A 18 -6.189 14.988 12.123 1.00 0.00 N ATOM 204 CA GLY A 18 -5.877 15.327 10.748 1.00 0.00 C ATOM 205 C GLY A 18 -4.800 16.389 10.642 1.00 0.00 C ATOM 206 O GLY A 18 -5.061 17.505 10.192 1.00 0.00 O ATOM 0 H GLY A 18 -5.450 14.492 12.620 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.552 14.430 10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.780 15.679 10.250 1.00 0.00 H new ATOM 210 N ASP A 19 -3.588 16.043 11.060 1.00 0.00 N ATOM 211 CA ASP A 19 -2.467 16.975 11.011 1.00 0.00 C ATOM 212 C ASP A 19 -1.138 16.227 11.010 1.00 0.00 C ATOM 213 O ASP A 19 -1.032 15.098 11.488 1.00 0.00 O ATOM 214 CB ASP A 19 -2.524 17.937 12.199 1.00 0.00 C ATOM 215 CG ASP A 19 -3.000 19.320 11.801 1.00 0.00 C ATOM 216 OD1 ASP A 19 -4.228 19.548 11.800 1.00 0.00 O ATOM 217 OD2 ASP A 19 -2.145 20.176 11.490 1.00 0.00 O ATOM 0 H ASP A 19 -3.356 15.124 11.437 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.542 17.547 10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.191 17.531 12.960 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.534 18.012 12.650 1.00 0.00 H new ATOM 222 N PRO A 20 -0.098 16.870 10.458 1.00 0.00 N ATOM 223 CA PRO A 20 1.244 16.284 10.380 1.00 0.00 C ATOM 224 C PRO A 20 1.910 16.177 11.748 1.00 0.00 C ATOM 225 O PRO A 20 2.448 15.129 12.105 1.00 0.00 O ATOM 226 CB PRO A 20 2.008 17.266 9.489 1.00 0.00 C ATOM 227 CG PRO A 20 1.297 18.564 9.658 1.00 0.00 C ATOM 228 CD PRO A 20 -0.151 18.218 9.868 1.00 0.00 C ATOM 0 HA PRO A 20 1.222 15.265 9.994 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.052 17.345 9.791 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.001 16.944 8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.693 19.118 10.509 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.424 19.196 8.779 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.641 18.929 10.533 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.706 18.224 8.930 1.00 0.00 H new ATOM 236 N GLU A 21 1.869 17.267 12.508 1.00 0.00 N ATOM 237 CA GLU A 21 2.469 17.293 13.836 1.00 0.00 C ATOM 238 C GLU A 21 1.846 16.231 14.737 1.00 0.00 C ATOM 239 O GLU A 21 2.544 15.377 15.285 1.00 0.00 O ATOM 240 CB GLU A 21 2.300 18.676 14.469 1.00 0.00 C ATOM 241 CG GLU A 21 3.573 19.507 14.465 1.00 0.00 C ATOM 242 CD GLU A 21 3.622 20.504 15.607 1.00 0.00 C ATOM 243 OE1 GLU A 21 2.606 20.642 16.319 1.00 0.00 O ATOM 244 OE2 GLU A 21 4.678 21.146 15.787 1.00 0.00 O ATOM 0 H GLU A 21 1.427 18.142 12.227 1.00 0.00 H new ATOM 0 HA GLU A 21 3.532 17.076 13.730 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.520 19.218 13.934 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.957 18.557 15.497 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.436 18.844 14.529 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.651 20.041 13.518 1.00 0.00 H new ATOM 251 N LYS A 22 0.527 16.289 14.885 1.00 0.00 N ATOM 252 CA LYS A 22 -0.193 15.333 15.717 1.00 0.00 C ATOM 253 C LYS A 22 0.111 13.901 15.289 1.00 0.00 C ATOM 254 O LYS A 22 -0.411 13.419 14.283 1.00 0.00 O ATOM 255 CB LYS A 22 -1.700 15.591 15.639 1.00 0.00 C ATOM 256 CG LYS A 22 -2.117 16.937 16.206 1.00 0.00 C ATOM 257 CD LYS A 22 -3.530 17.305 15.787 1.00 0.00 C ATOM 258 CE LYS A 22 -3.675 18.803 15.569 1.00 0.00 C ATOM 259 NZ LYS A 22 -4.894 19.133 14.780 1.00 0.00 N ATOM 0 H LYS A 22 -0.066 16.989 14.439 1.00 0.00 H new ATOM 0 HA LYS A 22 0.139 15.464 16.747 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.017 15.531 14.598 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.224 14.801 16.178 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.055 16.910 17.294 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.424 17.706 15.866 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.788 16.776 14.869 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.234 16.978 16.552 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.719 19.308 16.534 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.794 19.182 15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.313 20.014 15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.637 19.256 13.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.584 18.360 14.868 1.00 0.00 H new ATOM 273 N LYS A 23 0.957 13.225 16.058 1.00 0.00 N ATOM 274 CA LYS A 23 1.329 11.847 15.760 1.00 0.00 C ATOM 275 C LYS A 23 0.117 10.925 15.849 1.00 0.00 C ATOM 276 O LYS A 23 -0.774 11.131 16.674 1.00 0.00 O ATOM 277 CB LYS A 23 2.417 11.371 16.725 1.00 0.00 C ATOM 278 CG LYS A 23 3.308 10.284 16.149 1.00 0.00 C ATOM 279 CD LYS A 23 3.898 9.409 17.242 1.00 0.00 C ATOM 280 CE LYS A 23 5.266 9.910 17.680 1.00 0.00 C ATOM 281 NZ LYS A 23 5.173 11.201 18.417 1.00 0.00 N ATOM 0 H LYS A 23 1.399 13.609 16.893 1.00 0.00 H new ATOM 0 HA LYS A 23 1.715 11.813 14.741 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.035 12.222 17.011 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.946 10.999 17.635 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.732 9.667 15.459 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.113 10.740 15.572 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.224 9.392 18.099 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.983 8.384 16.882 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.740 9.162 18.315 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.904 10.036 16.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.043 11.350 18.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.055 11.980 17.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.356 11.175 19.060 1.00 0.00 H new ATOM 295 N CYS A 24 0.091 9.906 14.996 1.00 0.00 N ATOM 296 CA CYS A 24 -1.011 8.952 14.978 1.00 0.00 C ATOM 297 C CYS A 24 -0.493 7.527 14.802 1.00 0.00 C ATOM 298 O CYS A 24 0.591 7.311 14.259 1.00 0.00 O ATOM 299 CB CYS A 24 -1.991 9.292 13.854 1.00 0.00 C ATOM 300 SG CYS A 24 -3.651 8.575 14.072 1.00 0.00 S ATOM 0 H CYS A 24 0.821 9.720 14.308 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.530 9.017 15.934 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.082 10.376 13.781 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.577 8.943 12.908 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.547 9.509 13.951 1.00 0.00 H new ATOM 305 N HIS A 25 -1.276 6.557 15.265 1.00 0.00 N ATOM 306 CA HIS A 25 -0.897 5.153 15.158 1.00 0.00 C ATOM 307 C HIS A 25 -1.528 4.513 13.925 1.00 0.00 C ATOM 308 O HIS A 25 -0.993 3.553 13.370 1.00 0.00 O ATOM 309 CB HIS A 25 -1.320 4.392 16.415 1.00 0.00 C ATOM 310 CG HIS A 25 -0.176 4.034 17.312 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.014 3.517 16.844 1.00 0.00 N ATOM 312 CD2 HIS A 25 -0.043 4.122 18.656 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.829 3.301 17.862 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.211 3.661 18.973 1.00 0.00 N ATOM 0 H HIS A 25 -2.176 6.718 15.717 1.00 0.00 H new ATOM 0 HA HIS A 25 0.187 5.101 15.058 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.033 4.998 16.974 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.839 3.480 16.120 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.785 4.487 19.350 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.829 2.899 17.797 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.602 3.605 19.913 1.00 0.00 H new ATOM 322 N SER A 26 -2.668 5.050 13.503 1.00 0.00 N ATOM 323 CA SER A 26 -3.374 4.528 12.339 1.00 0.00 C ATOM 324 C SER A 26 -2.843 5.157 11.054 1.00 0.00 C ATOM 325 O SER A 26 -2.414 4.457 10.137 1.00 0.00 O ATOM 326 CB SER A 26 -4.876 4.792 12.466 1.00 0.00 C ATOM 327 OG SER A 26 -5.576 4.308 11.333 1.00 0.00 O ATOM 0 H SER A 26 -3.123 5.846 13.950 1.00 0.00 H new ATOM 0 HA SER A 26 -3.204 3.452 12.294 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.258 4.311 13.366 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.052 5.862 12.577 1.00 0.00 H new ATOM 0 HG SER A 26 -6.534 4.487 11.439 1.00 0.00 H new ATOM 333 N CYS A 27 -2.875 6.484 10.996 1.00 0.00 N ATOM 334 CA CYS A 27 -2.398 7.211 9.825 1.00 0.00 C ATOM 335 C CYS A 27 -0.963 6.814 9.486 1.00 0.00 C ATOM 336 O CYS A 27 -0.542 6.897 8.333 1.00 0.00 O ATOM 337 CB CYS A 27 -2.478 8.719 10.068 1.00 0.00 C ATOM 338 SG CYS A 27 -4.168 9.339 10.344 1.00 0.00 S ATOM 0 H CYS A 27 -3.226 7.078 11.747 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.037 6.952 8.981 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.865 8.970 10.933 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.048 9.238 9.211 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.153 10.237 11.284 1.00 0.00 H new ATOM 343 N SER A 28 -0.219 6.384 10.500 1.00 0.00 N ATOM 344 CA SER A 28 1.168 5.977 10.311 1.00 0.00 C ATOM 345 C SER A 28 1.408 4.582 10.878 1.00 0.00 C ATOM 346 O SER A 28 0.467 3.876 11.242 1.00 0.00 O ATOM 347 CB SER A 28 2.111 6.981 10.978 1.00 0.00 C ATOM 348 OG SER A 28 2.260 6.699 12.359 1.00 0.00 O ATOM 0 H SER A 28 -0.554 6.309 11.461 1.00 0.00 H new ATOM 0 HA SER A 28 1.371 5.954 9.240 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.085 6.950 10.490 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.722 7.991 10.849 1.00 0.00 H new ATOM 0 HG SER A 28 3.133 6.282 12.515 1.00 0.00 H new ATOM 354 N CYS A 29 2.676 4.189 10.950 1.00 0.00 N ATOM 355 CA CYS A 29 3.042 2.878 11.472 1.00 0.00 C ATOM 356 C CYS A 29 2.418 2.646 12.845 1.00 0.00 C ATOM 357 O CYS A 29 2.569 3.463 13.754 1.00 0.00 O ATOM 358 CB CYS A 29 4.564 2.749 11.563 1.00 0.00 C ATOM 359 SG CYS A 29 5.150 1.048 11.850 1.00 0.00 S ATOM 0 H CYS A 29 3.467 4.760 10.653 1.00 0.00 H new ATOM 0 HA CYS A 29 2.660 2.122 10.786 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.006 3.123 10.639 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.924 3.387 12.370 1.00 0.00 H new ATOM 0 HG CYS A 29 6.424 0.980 11.600 1.00 0.00 H new ATOM 364 N ARG A 30 1.717 1.525 12.989 1.00 0.00 N ATOM 365 CA ARG A 30 1.070 1.186 14.250 1.00 0.00 C ATOM 366 C ARG A 30 1.971 0.296 15.102 1.00 0.00 C ATOM 367 O ARG A 30 1.785 0.184 16.313 1.00 0.00 O ATOM 368 CB ARG A 30 -0.262 0.480 13.990 1.00 0.00 C ATOM 369 CG ARG A 30 -1.335 0.806 15.017 1.00 0.00 C ATOM 370 CD ARG A 30 -2.619 1.276 14.351 1.00 0.00 C ATOM 371 NE ARG A 30 -3.803 0.690 14.973 1.00 0.00 N ATOM 372 CZ ARG A 30 -5.031 0.823 14.484 1.00 0.00 C ATOM 373 NH1 ARG A 30 -5.235 1.516 13.372 1.00 0.00 N ATOM 374 NH2 ARG A 30 -6.059 0.260 15.106 1.00 0.00 N ATOM 0 H ARG A 30 1.583 0.837 12.248 1.00 0.00 H new ATOM 0 HA ARG A 30 0.883 2.112 14.794 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.623 0.757 12.999 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.097 -0.597 13.979 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.540 -0.076 15.623 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.970 1.579 15.693 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.680 2.363 14.407 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.597 1.012 13.294 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.681 0.149 15.829 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.448 1.949 12.889 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.179 1.616 12.999 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.907 -0.276 15.961 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.001 0.363 14.730 1.00 0.00 H new ATOM 388 N VAL A 31 2.949 -0.335 14.459 1.00 0.00 N ATOM 389 CA VAL A 31 3.879 -1.214 15.157 1.00 0.00 C ATOM 390 C VAL A 31 4.815 -0.419 16.060 1.00 0.00 C ATOM 391 O VAL A 31 4.677 -0.435 17.283 1.00 0.00 O ATOM 392 CB VAL A 31 4.720 -2.041 14.166 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.718 -2.914 14.911 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.819 -2.886 13.278 1.00 0.00 C ATOM 0 H VAL A 31 3.117 -0.254 13.456 1.00 0.00 H new ATOM 0 HA VAL A 31 3.279 -1.890 15.766 1.00 0.00 H new ATOM 0 HB VAL A 31 5.278 -1.354 13.530 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.303 -3.491 14.194 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.384 -2.284 15.500 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.183 -3.594 15.574 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.430 -3.463 12.584 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.232 -3.565 13.896 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.149 -2.236 12.716 1.00 0.00 H new ATOM 404 N CYS A 32 5.767 0.278 15.449 1.00 0.00 N ATOM 405 CA CYS A 32 6.727 1.081 16.197 1.00 0.00 C ATOM 406 C CYS A 32 6.111 2.413 16.617 1.00 0.00 C ATOM 407 O CYS A 32 6.531 3.020 17.602 1.00 0.00 O ATOM 408 CB CYS A 32 7.981 1.329 15.356 1.00 0.00 C ATOM 409 SG CYS A 32 7.734 2.496 13.979 1.00 0.00 S ATOM 0 H CYS A 32 5.894 0.303 14.437 1.00 0.00 H new ATOM 0 HA CYS A 32 7.004 0.529 17.095 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.770 1.710 16.004 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.330 0.378 14.954 1.00 0.00 H new ATOM 0 HG CYS A 32 6.820 2.034 13.178 1.00 0.00 H new ATOM 414 N GLY A 33 5.112 2.861 15.863 1.00 0.00 N ATOM 415 CA GLY A 33 4.454 4.117 16.173 1.00 0.00 C ATOM 416 C GLY A 33 5.185 5.312 15.593 1.00 0.00 C ATOM 417 O GLY A 33 5.256 6.369 16.219 1.00 0.00 O ATOM 0 H GLY A 33 4.747 2.377 15.043 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.435 4.095 15.786 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.382 4.229 17.255 1.00 0.00 H new ATOM 421 N GLY A 34 5.731 5.145 14.392 1.00 0.00 N ATOM 422 CA GLY A 34 6.454 6.226 13.749 1.00 0.00 C ATOM 423 C GLY A 34 5.644 6.895 12.656 1.00 0.00 C ATOM 424 O GLY A 34 4.805 6.260 12.016 1.00 0.00 O ATOM 0 H GLY A 34 5.685 4.280 13.853 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.732 6.968 14.497 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.380 5.838 13.325 1.00 0.00 H new ATOM 428 N LYS A 35 5.893 8.183 12.442 1.00 0.00 N ATOM 429 CA LYS A 35 5.181 8.940 11.419 1.00 0.00 C ATOM 430 C LYS A 35 6.154 9.540 10.410 1.00 0.00 C ATOM 431 O LYS A 35 6.030 10.705 10.030 1.00 0.00 O ATOM 432 CB LYS A 35 4.349 10.051 12.065 1.00 0.00 C ATOM 433 CG LYS A 35 3.258 10.598 11.161 1.00 0.00 C ATOM 434 CD LYS A 35 2.535 11.769 11.805 1.00 0.00 C ATOM 435 CE LYS A 35 1.102 11.881 11.306 1.00 0.00 C ATOM 436 NZ LYS A 35 1.041 12.069 9.830 1.00 0.00 N ATOM 0 H LYS A 35 6.583 8.724 12.964 1.00 0.00 H new ATOM 0 HA LYS A 35 4.516 8.255 10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.894 9.668 12.979 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.011 10.867 12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.694 10.915 10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.542 9.808 10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.536 11.648 12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.071 12.693 11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.551 10.982 11.580 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.610 12.719 11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.054 12.226 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.616 12.893 9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.410 11.220 9.356 1.00 0.00 H new ATOM 450 N HIS A 36 7.122 8.738 9.978 1.00 0.00 N ATOM 451 CA HIS A 36 8.116 9.190 9.011 1.00 0.00 C ATOM 452 C HIS A 36 8.240 8.199 7.857 1.00 0.00 C ATOM 453 O HIS A 36 7.666 7.112 7.896 1.00 0.00 O ATOM 454 CB HIS A 36 9.473 9.373 9.690 1.00 0.00 C ATOM 455 CG HIS A 36 9.879 8.209 10.541 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.344 7.965 11.788 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.773 7.217 10.316 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.892 6.875 12.295 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.762 6.402 11.421 1.00 0.00 N ATOM 0 H HIS A 36 7.239 7.772 10.282 1.00 0.00 H new ATOM 0 HA HIS A 36 7.787 10.149 8.610 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.233 9.537 8.926 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.443 10.271 10.307 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.381 7.091 9.432 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.667 6.444 13.259 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.333 5.566 11.547 1.00 0.00 H new ATOM 467 N GLU A 37 8.994 8.584 6.832 1.00 0.00 N ATOM 468 CA GLU A 37 9.192 7.730 5.667 1.00 0.00 C ATOM 469 C GLU A 37 7.853 7.305 5.070 1.00 0.00 C ATOM 470 O GLU A 37 7.492 6.128 5.064 1.00 0.00 O ATOM 471 CB GLU A 37 10.008 6.493 6.047 1.00 0.00 C ATOM 472 CG GLU A 37 11.480 6.784 6.284 1.00 0.00 C ATOM 473 CD GLU A 37 12.285 5.531 6.568 1.00 0.00 C ATOM 474 OE1 GLU A 37 11.692 4.432 6.569 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.509 5.649 6.789 1.00 0.00 O ATOM 0 H GLU A 37 9.477 9.481 6.785 1.00 0.00 H new ATOM 0 HA GLU A 37 9.739 8.302 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.584 6.051 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.916 5.750 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.893 7.286 5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.580 7.473 7.123 1.00 0.00 H new ATOM 482 N PRO A 38 7.097 8.287 4.555 1.00 0.00 N ATOM 483 CA PRO A 38 5.787 8.041 3.946 1.00 0.00 C ATOM 484 C PRO A 38 5.895 7.295 2.620 1.00 0.00 C ATOM 485 O PRO A 38 4.914 6.739 2.129 1.00 0.00 O ATOM 486 CB PRO A 38 5.229 9.449 3.725 1.00 0.00 C ATOM 487 CG PRO A 38 6.432 10.321 3.620 1.00 0.00 C ATOM 488 CD PRO A 38 7.464 9.713 4.528 1.00 0.00 C ATOM 0 HA PRO A 38 5.156 7.412 4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.625 9.498 2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.589 9.756 4.552 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.794 10.365 2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.201 11.343 3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.474 9.861 4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.433 10.155 5.524 1.00 0.00 H new ATOM 496 N ASN A 39 7.094 7.288 2.047 1.00 0.00 N ATOM 497 CA ASN A 39 7.329 6.611 0.777 1.00 0.00 C ATOM 498 C ASN A 39 7.501 5.109 0.985 1.00 0.00 C ATOM 499 O ASN A 39 7.179 4.310 0.107 1.00 0.00 O ATOM 500 CB ASN A 39 8.569 7.187 0.090 1.00 0.00 C ATOM 501 CG ASN A 39 9.859 6.699 0.721 1.00 0.00 C ATOM 502 OD1 ASN A 39 10.085 6.881 1.918 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.712 6.076 -0.083 1.00 0.00 N ATOM 0 H ASN A 39 7.917 7.743 2.442 1.00 0.00 H new ATOM 0 HA ASN A 39 6.460 6.775 0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.557 6.912 -0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.534 8.275 0.136 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.597 5.726 0.285 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.483 5.948 -1.069 1.00 0.00 H new ATOM 510 N MET A 40 8.010 4.734 2.154 1.00 0.00 N ATOM 511 CA MET A 40 8.223 3.328 2.478 1.00 0.00 C ATOM 512 C MET A 40 7.096 2.796 3.358 1.00 0.00 C ATOM 513 O MET A 40 7.288 1.852 4.124 1.00 0.00 O ATOM 514 CB MET A 40 9.567 3.143 3.185 1.00 0.00 C ATOM 515 CG MET A 40 10.761 3.548 2.335 1.00 0.00 C ATOM 516 SD MET A 40 12.258 3.791 3.311 1.00 0.00 S ATOM 517 CE MET A 40 12.964 2.146 3.264 1.00 0.00 C ATOM 0 H MET A 40 8.282 5.383 2.892 1.00 0.00 H new ATOM 0 HA MET A 40 8.230 2.764 1.546 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.569 3.730 4.103 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.675 2.098 3.475 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.943 2.781 1.582 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.526 4.469 1.801 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.898 2.135 3.826 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.265 1.437 3.708 1.00 0.00 H new ATOM 0 HE3 MET A 40 13.160 1.863 2.230 1.00 0.00 H new ATOM 527 N GLN A 41 5.922 3.409 3.243 1.00 0.00 N ATOM 528 CA GLN A 41 4.765 2.997 4.029 1.00 0.00 C ATOM 529 C GLN A 41 3.766 2.232 3.167 1.00 0.00 C ATOM 530 O GLN A 41 3.384 2.687 2.088 1.00 0.00 O ATOM 531 CB GLN A 41 4.088 4.216 4.656 1.00 0.00 C ATOM 532 CG GLN A 41 4.633 4.577 6.028 1.00 0.00 C ATOM 533 CD GLN A 41 4.293 5.996 6.437 1.00 0.00 C ATOM 534 OE1 GLN A 41 3.024 6.364 6.298 1.00 0.00 O flip ATOM 535 NE2 GLN A 41 5.160 6.754 6.873 1.00 0.00 N flip ATOM 0 H GLN A 41 5.747 4.192 2.613 1.00 0.00 H new ATOM 0 HA GLN A 41 5.113 2.336 4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.209 5.071 3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.018 4.025 4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.232 3.884 6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.716 4.453 6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.123 6.429 6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.915 7.706 7.144 1.00 0.00 H new ATOM 544 N LEU A 42 3.345 1.068 3.650 1.00 0.00 N ATOM 545 CA LEU A 42 2.390 0.239 2.923 1.00 0.00 C ATOM 546 C LEU A 42 0.980 0.421 3.477 1.00 0.00 C ATOM 547 O LEU A 42 0.738 0.220 4.668 1.00 0.00 O ATOM 548 CB LEU A 42 2.796 -1.234 3.005 1.00 0.00 C ATOM 549 CG LEU A 42 4.292 -1.525 2.884 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.563 -3.010 3.063 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.823 -1.041 1.542 1.00 0.00 C ATOM 0 H LEU A 42 3.650 0.677 4.541 1.00 0.00 H new ATOM 0 HA LEU A 42 2.395 0.553 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.444 -1.635 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.275 -1.778 2.217 1.00 0.00 H new ATOM 0 HG LEU A 42 4.813 -0.984 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.633 -3.198 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.220 -3.326 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.031 -3.572 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.889 -1.256 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.297 -1.553 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.664 0.034 1.454 1.00 0.00 H new ATOM 563 N LEU A 43 0.052 0.799 2.605 1.00 0.00 N ATOM 564 CA LEU A 43 -1.335 1.006 3.005 1.00 0.00 C ATOM 565 C LEU A 43 -2.168 -0.246 2.750 1.00 0.00 C ATOM 566 O LEU A 43 -1.978 -0.938 1.749 1.00 0.00 O ATOM 567 CB LEU A 43 -1.934 2.193 2.248 1.00 0.00 C ATOM 568 CG LEU A 43 -2.579 3.280 3.108 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.820 2.744 3.805 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.584 3.817 4.126 1.00 0.00 C ATOM 0 H LEU A 43 0.235 0.968 1.616 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.350 1.219 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.147 2.651 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.684 1.814 1.553 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.879 4.100 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.265 3.532 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.541 2.410 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.545 1.905 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.061 4.590 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.252 3.005 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.725 4.241 3.606 1.00 0.00 H new ATOM 582 N CYS A 44 -3.092 -0.532 3.661 1.00 0.00 N ATOM 583 CA CYS A 44 -3.956 -1.699 3.535 1.00 0.00 C ATOM 584 C CYS A 44 -5.176 -1.383 2.674 1.00 0.00 C ATOM 585 O CYS A 44 -5.704 -0.272 2.712 1.00 0.00 O ATOM 586 CB CYS A 44 -4.404 -2.180 4.917 1.00 0.00 C ATOM 587 SG CYS A 44 -5.365 -3.727 4.890 1.00 0.00 S ATOM 0 H CYS A 44 -3.262 0.029 4.496 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.386 -2.491 3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.523 -2.323 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.005 -1.400 5.384 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.036 -4.460 5.912 1.00 0.00 H new ATOM 592 N ASP A 45 -5.618 -2.368 1.900 1.00 0.00 N ATOM 593 CA ASP A 45 -6.776 -2.196 1.031 1.00 0.00 C ATOM 594 C ASP A 45 -8.043 -2.711 1.706 1.00 0.00 C ATOM 595 O ASP A 45 -8.984 -3.137 1.037 1.00 0.00 O ATOM 596 CB ASP A 45 -6.557 -2.925 -0.296 1.00 0.00 C ATOM 597 CG ASP A 45 -6.708 -2.007 -1.493 1.00 0.00 C ATOM 598 OD1 ASP A 45 -5.938 -1.028 -1.591 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.594 -2.268 -2.332 1.00 0.00 O ATOM 0 H ASP A 45 -5.192 -3.294 1.857 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.898 -1.131 0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.561 -3.367 -0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.270 -3.745 -0.379 1.00 0.00 H new ATOM 604 N GLU A 46 -8.059 -2.669 3.035 1.00 0.00 N ATOM 605 CA GLU A 46 -9.210 -3.134 3.799 1.00 0.00 C ATOM 606 C GLU A 46 -9.509 -2.189 4.960 1.00 0.00 C ATOM 607 O GLU A 46 -10.611 -1.650 5.069 1.00 0.00 O ATOM 608 CB GLU A 46 -8.962 -4.548 4.329 1.00 0.00 C ATOM 609 CG GLU A 46 -10.208 -5.219 4.880 1.00 0.00 C ATOM 610 CD GLU A 46 -11.295 -5.382 3.835 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.095 -6.174 2.890 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.344 -4.717 3.962 1.00 0.00 O ATOM 0 H GLU A 46 -7.289 -2.318 3.604 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.073 -3.150 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.554 -5.162 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.206 -4.506 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.943 -6.198 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.595 -4.631 5.712 1.00 0.00 H new ATOM 619 N CYS A 47 -8.520 -1.994 5.826 1.00 0.00 N ATOM 620 CA CYS A 47 -8.676 -1.117 6.980 1.00 0.00 C ATOM 621 C CYS A 47 -8.006 0.232 6.732 1.00 0.00 C ATOM 622 O CYS A 47 -8.223 1.190 7.472 1.00 0.00 O ATOM 623 CB CYS A 47 -8.082 -1.771 8.228 1.00 0.00 C ATOM 624 SG CYS A 47 -6.302 -2.136 8.101 1.00 0.00 S ATOM 0 H CYS A 47 -7.602 -2.432 5.750 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.742 -0.951 7.137 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.247 -1.115 9.083 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.619 -2.698 8.430 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.057 -2.711 6.961 1.00 0.00 H new ATOM 629 N ASN A 48 -7.191 0.298 5.684 1.00 0.00 N ATOM 630 CA ASN A 48 -6.489 1.528 5.337 1.00 0.00 C ATOM 631 C ASN A 48 -5.516 1.929 6.442 1.00 0.00 C ATOM 632 O ASN A 48 -5.678 2.970 7.079 1.00 0.00 O ATOM 633 CB ASN A 48 -7.490 2.659 5.090 1.00 0.00 C ATOM 634 CG ASN A 48 -8.671 2.211 4.249 1.00 0.00 C ATOM 635 OD1 ASN A 48 -8.506 1.514 3.248 1.00 0.00 O ATOM 636 ND2 ASN A 48 -9.870 2.613 4.653 1.00 0.00 N ATOM 0 H ASN A 48 -7.001 -0.486 5.060 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.921 1.348 4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.851 3.037 6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.985 3.486 4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.702 2.345 4.127 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.959 3.190 5.489 1.00 0.00 H new ATOM 643 N VAL A 49 -4.505 1.095 6.663 1.00 0.00 N ATOM 644 CA VAL A 49 -3.504 1.362 7.690 1.00 0.00 C ATOM 645 C VAL A 49 -2.103 1.412 7.091 1.00 0.00 C ATOM 646 O VAL A 49 -1.746 0.586 6.252 1.00 0.00 O ATOM 647 CB VAL A 49 -3.540 0.295 8.799 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.085 -1.052 8.259 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.679 0.724 9.978 1.00 0.00 C ATOM 0 H VAL A 49 -4.357 0.229 6.145 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.745 2.333 8.123 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.568 0.192 9.147 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.117 -1.794 9.057 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.746 -1.361 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.065 -0.968 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.716 -0.042 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.649 0.856 9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.055 1.665 10.380 1.00 0.00 H new ATOM 659 N ALA A 50 -1.312 2.386 7.530 1.00 0.00 N ATOM 660 CA ALA A 50 0.052 2.541 7.040 1.00 0.00 C ATOM 661 C ALA A 50 1.039 1.770 7.909 1.00 0.00 C ATOM 662 O ALA A 50 1.096 1.966 9.123 1.00 0.00 O ATOM 663 CB ALA A 50 0.429 4.014 6.988 1.00 0.00 C ATOM 0 H ALA A 50 -1.592 3.079 8.224 1.00 0.00 H new ATOM 0 HA ALA A 50 0.099 2.129 6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.450 4.115 6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.252 4.540 6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.359 4.443 7.988 1.00 0.00 H new ATOM 669 N TYR A 51 1.814 0.893 7.281 1.00 0.00 N ATOM 670 CA TYR A 51 2.797 0.089 7.998 1.00 0.00 C ATOM 671 C TYR A 51 4.148 0.122 7.290 1.00 0.00 C ATOM 672 O TYR A 51 4.223 0.022 6.065 1.00 0.00 O ATOM 673 CB TYR A 51 2.310 -1.355 8.126 1.00 0.00 C ATOM 674 CG TYR A 51 1.438 -1.595 9.337 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.955 -1.486 10.622 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.098 -1.933 9.197 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.162 -1.705 11.732 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.703 -2.152 10.301 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.166 -2.038 11.567 1.00 0.00 C ATOM 680 OH TYR A 51 -0.960 -2.257 12.669 1.00 0.00 O ATOM 0 H TYR A 51 1.781 0.721 6.276 1.00 0.00 H new ATOM 0 HA TYR A 51 2.919 0.513 8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.752 -1.622 7.228 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.174 -2.018 8.174 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.995 -1.226 10.755 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.325 -2.026 8.208 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.580 -1.616 12.724 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.744 -2.411 10.174 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.869 -2.481 12.378 1.00 0.00 H new ATOM 690 N HIS A 52 5.214 0.263 8.072 1.00 0.00 N ATOM 691 CA HIS A 52 6.564 0.308 7.521 1.00 0.00 C ATOM 692 C HIS A 52 6.963 -1.049 6.948 1.00 0.00 C ATOM 693 O HIS A 52 6.362 -2.072 7.276 1.00 0.00 O ATOM 694 CB HIS A 52 7.563 0.732 8.598 1.00 0.00 C ATOM 695 CG HIS A 52 7.362 2.136 9.081 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.863 2.599 10.280 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.712 3.181 8.518 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.528 3.867 10.434 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.830 4.245 9.379 1.00 0.00 N ATOM 0 H HIS A 52 5.169 0.348 9.087 1.00 0.00 H new ATOM 0 HA HIS A 52 6.576 1.041 6.715 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.483 0.050 9.445 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.574 0.633 8.203 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.197 3.179 7.569 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.782 4.489 11.279 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.441 5.176 9.228 1.00 0.00 H new ATOM 707 N ILE A 53 7.978 -1.048 6.091 1.00 0.00 N ATOM 708 CA ILE A 53 8.456 -2.279 5.473 1.00 0.00 C ATOM 709 C ILE A 53 9.373 -3.049 6.418 1.00 0.00 C ATOM 710 O ILE A 53 9.663 -4.224 6.197 1.00 0.00 O ATOM 711 CB ILE A 53 9.212 -1.994 4.162 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.420 -1.094 4.429 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.281 -1.352 3.143 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.690 -1.574 3.762 1.00 0.00 C ATOM 0 H ILE A 53 8.485 -0.209 5.809 1.00 0.00 H new ATOM 0 HA ILE A 53 7.576 -2.883 5.252 1.00 0.00 H new ATOM 0 HB ILE A 53 9.570 -2.939 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.195 -0.086 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.585 -1.031 5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.829 -1.156 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.450 -2.026 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.896 -0.414 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.505 -0.888 3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.939 -2.570 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.543 -1.610 2.683 1.00 0.00 H new ATOM 726 N TYR A 54 9.824 -2.378 7.472 1.00 0.00 N ATOM 727 CA TYR A 54 10.708 -2.998 8.451 1.00 0.00 C ATOM 728 C TYR A 54 10.031 -3.092 9.815 1.00 0.00 C ATOM 729 O TYR A 54 10.696 -3.124 10.851 1.00 0.00 O ATOM 730 CB TYR A 54 12.010 -2.203 8.570 1.00 0.00 C ATOM 731 CG TYR A 54 11.800 -0.709 8.667 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.508 -0.106 9.884 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.895 0.100 7.541 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.315 1.258 9.977 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.705 1.465 7.625 1.00 0.00 C ATOM 736 CZ TYR A 54 11.415 2.040 8.845 1.00 0.00 C ATOM 737 OH TYR A 54 11.224 3.400 8.933 1.00 0.00 O ATOM 0 H TYR A 54 9.592 -1.405 7.670 1.00 0.00 H new ATOM 0 HA TYR A 54 10.936 -4.007 8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.554 -2.543 9.451 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.638 -2.418 7.705 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.431 -0.715 10.773 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.121 -0.347 6.584 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.087 1.710 10.931 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.783 2.079 6.740 1.00 0.00 H new ATOM 0 HH TYR A 54 11.203 3.786 8.033 1.00 0.00 H new ATOM 747 N CYS A 55 8.703 -3.137 9.807 1.00 0.00 N ATOM 748 CA CYS A 55 7.933 -3.228 11.041 1.00 0.00 C ATOM 749 C CYS A 55 6.804 -4.246 10.904 1.00 0.00 C ATOM 750 O CYS A 55 5.828 -4.212 11.655 1.00 0.00 O ATOM 751 CB CYS A 55 7.357 -1.859 11.409 1.00 0.00 C ATOM 752 SG CYS A 55 8.611 -0.634 11.904 1.00 0.00 S ATOM 0 H CYS A 55 8.138 -3.112 8.958 1.00 0.00 H new ATOM 0 HA CYS A 55 8.603 -3.559 11.834 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.801 -1.470 10.556 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.644 -1.984 12.224 1.00 0.00 H new ATOM 0 HG CYS A 55 9.569 -0.615 11.026 1.00 0.00 H new ATOM 757 N LEU A 56 6.946 -5.152 9.943 1.00 0.00 N ATOM 758 CA LEU A 56 5.939 -6.181 9.707 1.00 0.00 C ATOM 759 C LEU A 56 6.259 -7.446 10.497 1.00 0.00 C ATOM 760 O LEU A 56 7.236 -7.494 11.243 1.00 0.00 O ATOM 761 CB LEU A 56 5.853 -6.506 8.215 1.00 0.00 C ATOM 762 CG LEU A 56 5.058 -5.521 7.358 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.153 -5.895 5.887 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.605 -5.476 7.806 1.00 0.00 C ATOM 0 H LEU A 56 7.748 -5.195 9.315 1.00 0.00 H new ATOM 0 HA LEU A 56 4.976 -5.797 10.045 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.866 -6.566 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.408 -7.495 8.104 1.00 0.00 H new ATOM 0 HG LEU A 56 5.488 -4.528 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.581 -5.183 5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.197 -5.874 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.750 -6.897 5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.054 -4.770 7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.163 -6.467 7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.555 -5.159 8.848 1.00 0.00 H new ATOM 776 N ASN A 57 5.429 -8.470 10.326 1.00 0.00 N ATOM 777 CA ASN A 57 5.624 -9.737 11.022 1.00 0.00 C ATOM 778 C ASN A 57 5.132 -10.905 10.174 1.00 0.00 C ATOM 779 O ASN A 57 3.948 -11.243 10.165 1.00 0.00 O ATOM 780 CB ASN A 57 4.891 -9.723 12.365 1.00 0.00 C ATOM 781 CG ASN A 57 5.090 -11.008 13.146 1.00 0.00 C ATOM 782 OD1 ASN A 57 4.269 -11.923 13.076 1.00 0.00 O ATOM 783 ND2 ASN A 57 6.184 -11.082 13.894 1.00 0.00 N ATOM 0 H ASN A 57 4.615 -8.447 9.712 1.00 0.00 H new ATOM 0 HA ASN A 57 6.692 -9.865 11.200 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.245 -8.881 12.960 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.826 -9.567 12.193 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.372 -11.922 14.441 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.837 -10.299 13.922 1.00 0.00 H new ATOM 790 N PRO A 58 6.061 -11.538 9.442 1.00 0.00 N ATOM 791 CA PRO A 58 7.473 -11.144 9.444 1.00 0.00 C ATOM 792 C PRO A 58 7.702 -9.804 8.753 1.00 0.00 C ATOM 793 O PRO A 58 6.817 -9.261 8.091 1.00 0.00 O ATOM 794 CB PRO A 58 8.156 -12.271 8.665 1.00 0.00 C ATOM 795 CG PRO A 58 7.088 -12.826 7.787 1.00 0.00 C ATOM 796 CD PRO A 58 5.804 -12.687 8.557 1.00 0.00 C ATOM 0 HA PRO A 58 7.858 -11.011 10.455 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.995 -11.895 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.552 -13.033 9.336 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.038 -12.283 6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.286 -13.870 7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.957 -12.504 7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.576 -13.589 9.125 1.00 0.00 H new ATOM 804 N PRO A 59 8.916 -9.256 8.910 1.00 0.00 N ATOM 805 CA PRO A 59 9.289 -7.973 8.308 1.00 0.00 C ATOM 806 C PRO A 59 9.416 -8.060 6.791 1.00 0.00 C ATOM 807 O PRO A 59 9.147 -9.103 6.194 1.00 0.00 O ATOM 808 CB PRO A 59 10.648 -7.666 8.942 1.00 0.00 C ATOM 809 CG PRO A 59 11.201 -8.997 9.316 1.00 0.00 C ATOM 810 CD PRO A 59 10.018 -9.848 9.687 1.00 0.00 C ATOM 0 HA PRO A 59 8.537 -7.205 8.486 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.303 -7.148 8.242 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.541 -7.022 9.815 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.753 -9.437 8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.896 -8.910 10.151 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.178 -10.894 9.426 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.818 -9.814 10.758 1.00 0.00 H new ATOM 818 N LEU A 60 9.828 -6.958 6.173 1.00 0.00 N ATOM 819 CA LEU A 60 9.991 -6.910 4.724 1.00 0.00 C ATOM 820 C LEU A 60 11.322 -6.266 4.347 1.00 0.00 C ATOM 821 O LEU A 60 11.580 -5.109 4.682 1.00 0.00 O ATOM 822 CB LEU A 60 8.837 -6.134 4.086 1.00 0.00 C ATOM 823 CG LEU A 60 7.765 -6.975 3.393 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.642 -6.088 2.878 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.373 -7.783 2.256 1.00 0.00 C ATOM 0 H LEU A 60 10.055 -6.087 6.652 1.00 0.00 H new ATOM 0 HA LEU A 60 9.984 -7.933 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.357 -5.535 4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.253 -5.439 3.357 1.00 0.00 H new ATOM 0 HG LEU A 60 7.347 -7.669 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.888 -6.704 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.188 -5.554 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.044 -5.369 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.595 -8.376 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.818 -7.107 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.142 -8.447 2.652 1.00 0.00 H new ATOM 837 N ASP A 61 12.162 -7.021 3.649 1.00 0.00 N ATOM 838 CA ASP A 61 13.465 -6.523 3.223 1.00 0.00 C ATOM 839 C ASP A 61 13.322 -5.212 2.456 1.00 0.00 C ATOM 840 O ASP A 61 14.230 -4.381 2.451 1.00 0.00 O ATOM 841 CB ASP A 61 14.173 -7.563 2.353 1.00 0.00 C ATOM 842 CG ASP A 61 14.644 -8.762 3.152 1.00 0.00 C ATOM 843 OD1 ASP A 61 14.248 -8.882 4.331 1.00 0.00 O ATOM 844 OD2 ASP A 61 15.408 -9.581 2.600 1.00 0.00 O ATOM 0 H ASP A 61 11.964 -7.981 3.366 1.00 0.00 H new ATOM 0 HA ASP A 61 14.064 -6.338 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.495 -7.897 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.028 -7.099 1.861 1.00 0.00 H new ATOM 849 N LYS A 62 12.176 -5.035 1.807 1.00 0.00 N ATOM 850 CA LYS A 62 11.912 -3.826 1.036 1.00 0.00 C ATOM 851 C LYS A 62 10.428 -3.704 0.706 1.00 0.00 C ATOM 852 O LYS A 62 9.604 -4.465 1.214 1.00 0.00 O ATOM 853 CB LYS A 62 12.734 -3.830 -0.255 1.00 0.00 C ATOM 854 CG LYS A 62 12.327 -4.921 -1.231 1.00 0.00 C ATOM 855 CD LYS A 62 11.934 -4.343 -2.580 1.00 0.00 C ATOM 856 CE LYS A 62 13.157 -4.029 -3.429 1.00 0.00 C ATOM 857 NZ LYS A 62 13.835 -5.267 -3.904 1.00 0.00 N ATOM 0 H LYS A 62 11.415 -5.714 1.800 1.00 0.00 H new ATOM 0 HA LYS A 62 12.203 -2.968 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.633 -2.861 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.788 -3.952 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.152 -5.621 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.491 -5.486 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.295 -5.051 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.350 -3.435 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.859 -3.426 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.859 -3.431 -2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.457 -5.037 -4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.401 -5.671 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.121 -5.959 -4.209 1.00 0.00 H new ATOM 871 N VAL A 63 10.093 -2.742 -0.148 1.00 0.00 N ATOM 872 CA VAL A 63 8.708 -2.522 -0.548 1.00 0.00 C ATOM 873 C VAL A 63 8.288 -3.505 -1.635 1.00 0.00 C ATOM 874 O VAL A 63 9.006 -3.737 -2.608 1.00 0.00 O ATOM 875 CB VAL A 63 8.493 -1.085 -1.059 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.038 -0.869 -1.448 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.927 -0.076 -0.007 1.00 0.00 C ATOM 0 H VAL A 63 10.762 -2.102 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 63 8.093 -2.680 0.338 1.00 0.00 H new ATOM 0 HB VAL A 63 9.108 -0.937 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.905 0.152 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.765 -1.569 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.401 -1.034 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.768 0.934 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.340 -0.221 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.984 -0.217 0.218 1.00 0.00 H new ATOM 887 N PRO A 64 7.096 -4.097 -1.469 1.00 0.00 N ATOM 888 CA PRO A 64 6.552 -5.064 -2.427 1.00 0.00 C ATOM 889 C PRO A 64 6.153 -4.411 -3.746 1.00 0.00 C ATOM 890 O PRO A 64 6.217 -3.190 -3.889 1.00 0.00 O ATOM 891 CB PRO A 64 5.318 -5.617 -1.710 1.00 0.00 C ATOM 892 CG PRO A 64 4.913 -4.539 -0.765 1.00 0.00 C ATOM 893 CD PRO A 64 6.187 -3.868 -0.333 1.00 0.00 C ATOM 0 HA PRO A 64 7.283 -5.826 -2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.519 -5.845 -2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.549 -6.541 -1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.242 -3.829 -1.248 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.379 -4.951 0.091 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.038 -2.805 -0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.577 -4.302 0.588 1.00 0.00 H new ATOM 901 N GLU A 65 5.742 -5.232 -4.707 1.00 0.00 N ATOM 902 CA GLU A 65 5.333 -4.733 -6.015 1.00 0.00 C ATOM 903 C GLU A 65 4.326 -5.676 -6.667 1.00 0.00 C ATOM 904 O GLU A 65 4.209 -5.724 -7.891 1.00 0.00 O ATOM 905 CB GLU A 65 6.552 -4.563 -6.924 1.00 0.00 C ATOM 906 CG GLU A 65 7.494 -3.457 -6.479 1.00 0.00 C ATOM 907 CD GLU A 65 8.468 -3.046 -7.566 1.00 0.00 C ATOM 908 OE1 GLU A 65 8.126 -2.145 -8.359 1.00 0.00 O ATOM 909 OE2 GLU A 65 9.572 -3.628 -7.623 1.00 0.00 O ATOM 0 H GLU A 65 5.683 -6.245 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 65 4.856 -3.763 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.101 -5.504 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.212 -4.353 -7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.910 -2.589 -6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.052 -3.791 -5.604 1.00 0.00 H new ATOM 916 N GLU A 66 3.603 -6.424 -5.840 1.00 0.00 N ATOM 917 CA GLU A 66 2.607 -7.367 -6.336 1.00 0.00 C ATOM 918 C GLU A 66 1.287 -6.660 -6.628 1.00 0.00 C ATOM 919 O GLU A 66 1.214 -5.432 -6.620 1.00 0.00 O ATOM 920 CB GLU A 66 2.384 -8.489 -5.321 1.00 0.00 C ATOM 921 CG GLU A 66 3.671 -9.128 -4.827 1.00 0.00 C ATOM 922 CD GLU A 66 3.678 -10.635 -4.999 1.00 0.00 C ATOM 923 OE1 GLU A 66 4.102 -11.106 -6.076 1.00 0.00 O ATOM 924 OE2 GLU A 66 3.260 -11.342 -4.059 1.00 0.00 O ATOM 0 H GLU A 66 3.688 -6.396 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 66 2.982 -7.797 -7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.835 -8.091 -4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.757 -9.257 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.515 -8.700 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.811 -8.886 -3.774 1.00 0.00 H new ATOM 931 N GLU A 67 0.246 -7.446 -6.885 1.00 0.00 N ATOM 932 CA GLU A 67 -1.072 -6.895 -7.180 1.00 0.00 C ATOM 933 C GLU A 67 -1.498 -5.898 -6.107 1.00 0.00 C ATOM 934 O GLU A 67 -1.798 -4.741 -6.403 1.00 0.00 O ATOM 935 CB GLU A 67 -2.106 -8.018 -7.288 1.00 0.00 C ATOM 936 CG GLU A 67 -2.720 -8.148 -8.672 1.00 0.00 C ATOM 937 CD GLU A 67 -3.628 -9.357 -8.796 1.00 0.00 C ATOM 938 OE1 GLU A 67 -3.362 -10.371 -8.118 1.00 0.00 O ATOM 939 OE2 GLU A 67 -4.605 -9.287 -9.570 1.00 0.00 O ATOM 0 H GLU A 67 0.290 -8.465 -6.895 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.013 -6.372 -8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.634 -8.963 -7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.900 -7.841 -6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.289 -7.246 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.924 -8.218 -9.413 1.00 0.00 H new ATOM 946 N TYR A 68 -1.523 -6.355 -4.860 1.00 0.00 N ATOM 947 CA TYR A 68 -1.915 -5.505 -3.742 1.00 0.00 C ATOM 948 C TYR A 68 -1.198 -5.923 -2.462 1.00 0.00 C ATOM 949 O TYR A 68 -0.568 -6.980 -2.407 1.00 0.00 O ATOM 950 CB TYR A 68 -3.429 -5.566 -3.534 1.00 0.00 C ATOM 951 CG TYR A 68 -3.988 -6.971 -3.559 1.00 0.00 C ATOM 952 CD1 TYR A 68 -3.760 -7.849 -2.506 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.743 -7.421 -4.635 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.268 -9.133 -2.525 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.256 -8.703 -4.661 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.015 -9.556 -3.604 1.00 0.00 C ATOM 957 OH TYR A 68 -5.524 -10.834 -3.626 1.00 0.00 O ATOM 0 H TYR A 68 -1.276 -7.309 -4.598 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.628 -4.481 -3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.675 -5.103 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.918 -4.976 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.176 -7.522 -1.659 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.932 -6.757 -5.465 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.081 -9.803 -1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.843 -9.036 -5.504 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.027 -10.972 -4.456 1.00 0.00 H new ATOM 967 N TRP A 69 -1.298 -5.087 -1.435 1.00 0.00 N ATOM 968 CA TRP A 69 -0.660 -5.369 -0.155 1.00 0.00 C ATOM 969 C TRP A 69 -1.648 -5.202 0.995 1.00 0.00 C ATOM 970 O TRP A 69 -2.270 -4.149 1.143 1.00 0.00 O ATOM 971 CB TRP A 69 0.543 -4.447 0.053 1.00 0.00 C ATOM 972 CG TRP A 69 1.244 -4.670 1.359 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.338 -5.458 1.577 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.897 -4.100 2.626 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.692 -5.412 2.904 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.825 -4.586 3.568 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.105 -3.226 3.055 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.777 -4.226 4.912 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.151 -2.870 4.390 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.786 -3.369 5.305 1.00 0.00 C ATOM 0 H TRP A 69 -1.815 -4.208 -1.464 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.318 -6.404 -0.169 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.252 -4.597 -0.762 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.211 -3.410 -0.000 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.849 -6.032 0.819 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.474 -5.912 3.326 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.830 -2.836 2.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.497 -4.610 5.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.922 -2.196 4.734 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.724 -3.071 6.341 1.00 0.00 H new ATOM 991 N TYR A 70 -1.788 -6.245 1.805 1.00 0.00 N ATOM 992 CA TYR A 70 -2.703 -6.214 2.940 1.00 0.00 C ATOM 993 C TYR A 70 -1.949 -6.404 4.252 1.00 0.00 C ATOM 994 O TYR A 70 -1.161 -7.338 4.400 1.00 0.00 O ATOM 995 CB TYR A 70 -3.771 -7.299 2.791 1.00 0.00 C ATOM 996 CG TYR A 70 -4.880 -6.930 1.831 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.610 -6.672 0.493 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.197 -6.840 2.262 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.619 -6.334 -0.388 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.214 -6.503 1.389 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.919 -6.251 0.065 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.928 -5.916 -0.808 1.00 0.00 O ATOM 0 H TYR A 70 -1.280 -7.123 1.697 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.187 -5.237 2.958 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.297 -8.219 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.203 -7.508 3.769 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.593 -6.737 0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.431 -7.037 3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.391 -6.136 -1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.233 -6.437 1.741 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.783 -5.902 -0.330 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.198 -5.510 5.204 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.545 -5.577 6.506 1.00 0.00 C ATOM 1014 C CYS A 71 -1.687 -6.969 7.115 1.00 0.00 C ATOM 1015 O CYS A 71 -2.612 -7.719 6.803 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.137 -4.531 7.451 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.785 -4.962 8.099 1.00 0.00 S ATOM 0 H CYS A 71 -2.847 -4.731 5.098 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.485 -5.369 6.364 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.455 -4.387 8.289 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.203 -3.578 6.926 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.557 -3.917 8.051 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.749 -7.323 8.006 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.748 -8.625 8.679 1.00 0.00 C ATOM 1024 C PRO A 72 -1.891 -8.761 9.681 1.00 0.00 C ATOM 1025 O PRO A 72 -2.135 -9.843 10.215 1.00 0.00 O ATOM 1026 CB PRO A 72 0.601 -8.651 9.401 1.00 0.00 C ATOM 1027 CG PRO A 72 0.947 -7.216 9.609 1.00 0.00 C ATOM 1028 CD PRO A 72 0.382 -6.479 8.426 1.00 0.00 C ATOM 0 HA PRO A 72 -0.887 -9.447 7.976 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.532 -9.183 10.350 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.359 -9.159 8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.522 -6.843 10.541 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.027 -7.080 9.674 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.055 -5.475 8.697 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.119 -6.371 7.631 1.00 0.00 H new ATOM 1036 N SER A 73 -2.587 -7.657 9.930 1.00 0.00 N ATOM 1037 CA SER A 73 -3.702 -7.652 10.870 1.00 0.00 C ATOM 1038 C SER A 73 -5.007 -8.017 10.167 1.00 0.00 C ATOM 1039 O SER A 73 -5.998 -8.359 10.812 1.00 0.00 O ATOM 1040 CB SER A 73 -3.833 -6.280 11.532 1.00 0.00 C ATOM 1041 OG SER A 73 -2.567 -5.659 11.675 1.00 0.00 O ATOM 0 H SER A 73 -2.399 -6.754 9.494 1.00 0.00 H new ATOM 0 HA SER A 73 -3.501 -8.400 11.637 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.487 -5.645 10.934 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.301 -6.388 12.510 1.00 0.00 H new ATOM 0 HG SER A 73 -2.679 -4.783 12.099 1.00 0.00 H new ATOM 1047 N CYS A 74 -4.998 -7.941 8.841 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.179 -8.262 8.048 1.00 0.00 C ATOM 1049 C CYS A 74 -6.042 -9.636 7.400 1.00 0.00 C ATOM 1050 O CYS A 74 -6.922 -10.487 7.530 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.401 -7.197 6.972 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.300 -5.725 7.556 1.00 0.00 S ATOM 0 H CYS A 74 -4.186 -7.660 8.292 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.041 -8.280 8.715 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.433 -6.886 6.579 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.953 -7.642 6.144 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.469 -4.735 7.692 1.00 0.00 H new ATOM 1057 N LYS A 75 -4.931 -9.846 6.701 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.676 -11.117 6.033 1.00 0.00 C ATOM 1059 C LYS A 75 -4.853 -12.284 6.999 1.00 0.00 C ATOM 1060 O LYS A 75 -4.037 -12.489 7.899 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.262 -11.134 5.448 1.00 0.00 C ATOM 1062 CG LYS A 75 -2.837 -12.495 4.925 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.651 -12.384 3.982 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.981 -12.936 2.603 1.00 0.00 C ATOM 1065 NZ LYS A 75 -2.014 -14.425 2.595 1.00 0.00 N ATOM 0 H LYS A 75 -4.193 -9.152 6.583 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.398 -11.226 5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.205 -10.408 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.557 -10.812 6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.578 -13.143 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.673 -12.964 4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.351 -11.340 3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.802 -12.926 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.947 -12.550 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.240 -12.585 1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.242 -14.762 1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.084 -14.794 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.739 -14.760 3.262 1.00 0.00 H new