USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 681 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 Single : A 43 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-2.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -7.68! C(o=-7.7!,f=-12!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= -0.0548 (180deg=-0.361) USER MOD Single : A 83 THR OG1 : rot -170:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -2.39! X(o=-2.4!,f=-2.4) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.088 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -19:sc= 1.03 USER MOD Single : A 95 CYS SG : rot 80:sc= -0.839 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -2.12 K(o=-2.1,f=-1.2) USER MOD Single : A 105 SER OG : rot -22:sc= 0.402 USER MOD Single : A 108 HIS : no HD1:sc= -0.666 K(o=-0.67,f=-4.5!) USER MOD Single : A 110 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.11) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.0205 X(o=-0.021,f=-0.021) USER MOD Single : A 121 GLN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 144:sc= -2.65! (180deg=-4.63!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 1.287 13.893 -7.458 1.00 0.00 N ATOM 136 CA ASP A 42 0.864 15.255 -7.153 1.00 0.00 C ATOM 137 C ASP A 42 1.760 15.876 -6.085 1.00 0.00 C ATOM 138 O ASP A 42 2.529 15.178 -5.423 1.00 0.00 O ATOM 139 CB ASP A 42 -0.591 15.267 -6.684 1.00 0.00 C ATOM 140 CG ASP A 42 -1.569 15.070 -7.826 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.189 14.429 -8.829 1.00 0.00 O ATOM 142 OD2 ASP A 42 -2.714 15.556 -7.718 1.00 0.00 O ATOM 0 HA ASP A 42 0.949 15.848 -8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.738 14.480 -5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.802 16.214 -6.188 1.00 0.00 H new ATOM 147 N HIS A 43 1.656 17.191 -5.924 1.00 0.00 N ATOM 148 CA HIS A 43 2.457 17.906 -4.937 1.00 0.00 C ATOM 149 C HIS A 43 1.982 17.593 -3.521 1.00 0.00 C ATOM 150 O HIS A 43 2.782 17.523 -2.589 1.00 0.00 O ATOM 151 CB HIS A 43 2.390 19.413 -5.189 1.00 0.00 C ATOM 152 CG HIS A 43 1.057 20.015 -4.864 1.00 0.00 C ATOM 153 ND1 HIS A 43 0.863 20.896 -3.821 1.00 0.00 N ATOM 154 CD2 HIS A 43 -0.151 19.860 -5.454 1.00 0.00 C ATOM 155 CE1 HIS A 43 -0.407 21.255 -3.782 1.00 0.00 C ATOM 156 NE2 HIS A 43 -1.045 20.641 -4.762 1.00 0.00 N ATOM 0 H HIS A 43 1.025 17.783 -6.464 1.00 0.00 H new ATOM 0 HA HIS A 43 3.491 17.575 -5.036 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.158 19.907 -4.594 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.623 19.609 -6.236 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.371 19.238 -6.309 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.849 21.935 -3.069 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.039 20.732 -4.971 1.00 0.00 H new ATOM 165 N ASP A 44 0.675 17.407 -3.369 1.00 0.00 N ATOM 166 CA ASP A 44 0.093 17.102 -2.067 1.00 0.00 C ATOM 167 C ASP A 44 -0.428 15.669 -2.028 1.00 0.00 C ATOM 168 O ASP A 44 -1.458 15.389 -1.415 1.00 0.00 O ATOM 169 CB ASP A 44 -1.040 18.079 -1.750 1.00 0.00 C ATOM 170 CG ASP A 44 -0.552 19.314 -1.019 1.00 0.00 C ATOM 171 OD1 ASP A 44 0.478 19.883 -1.438 1.00 0.00 O ATOM 172 OD2 ASP A 44 -1.199 19.712 -0.028 1.00 0.00 O ATOM 0 H ASP A 44 -0.001 17.462 -4.131 1.00 0.00 H new ATOM 0 HA ASP A 44 0.873 17.207 -1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.528 18.378 -2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.792 17.574 -1.143 1.00 0.00 H new ATOM 177 N ALA A 45 0.290 14.765 -2.687 1.00 0.00 N ATOM 178 CA ALA A 45 -0.099 13.361 -2.726 1.00 0.00 C ATOM 179 C ALA A 45 -0.011 12.728 -1.342 1.00 0.00 C ATOM 180 O ALA A 45 0.382 13.380 -0.375 1.00 0.00 O ATOM 181 CB ALA A 45 0.772 12.599 -3.714 1.00 0.00 C ATOM 0 H ALA A 45 1.144 14.980 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.136 13.306 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.470 11.552 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.655 13.028 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.816 12.670 -3.409 1.00 0.00 H new ATOM 187 N ILE A 46 -0.379 11.454 -1.255 1.00 0.00 N ATOM 188 CA ILE A 46 -0.341 10.733 0.012 1.00 0.00 C ATOM 189 C ILE A 46 0.133 9.298 -0.187 1.00 0.00 C ATOM 190 O ILE A 46 -0.104 8.693 -1.233 1.00 0.00 O ATOM 191 CB ILE A 46 -1.722 10.717 0.692 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.274 12.139 0.810 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.630 10.063 2.063 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.690 12.196 1.341 1.00 0.00 C ATOM 0 H ILE A 46 -0.707 10.900 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 46 0.364 11.260 0.655 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.406 10.132 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.625 12.719 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.243 12.615 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.614 10.059 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.276 9.038 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.934 10.623 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.016 13.235 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.352 11.644 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.724 11.750 2.335 1.00 0.00 H new ATOM 206 N LYS A 47 0.802 8.756 0.825 1.00 0.00 N ATOM 207 CA LYS A 47 1.307 7.389 0.765 1.00 0.00 C ATOM 208 C LYS A 47 0.526 6.478 1.706 1.00 0.00 C ATOM 209 O LYS A 47 0.679 6.551 2.926 1.00 0.00 O ATOM 210 CB LYS A 47 2.794 7.357 1.125 1.00 0.00 C ATOM 211 CG LYS A 47 3.306 5.970 1.473 1.00 0.00 C ATOM 212 CD LYS A 47 4.821 5.896 1.385 1.00 0.00 C ATOM 213 CE LYS A 47 5.385 4.853 2.338 1.00 0.00 C ATOM 214 NZ LYS A 47 6.783 5.169 2.742 1.00 0.00 N ATOM 0 H LYS A 47 1.007 9.243 1.697 1.00 0.00 H new ATOM 0 HA LYS A 47 1.178 7.025 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.371 7.748 0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.969 8.022 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.986 5.705 2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.865 5.238 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.116 5.654 0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.248 6.872 1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.755 4.794 3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.357 3.873 1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.131 4.435 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.390 5.201 1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.806 6.093 3.220 1.00 0.00 H new ATOM 228 N LEU A 48 -0.311 5.621 1.132 1.00 0.00 N ATOM 229 CA LEU A 48 -1.115 4.693 1.920 1.00 0.00 C ATOM 230 C LEU A 48 -0.283 3.499 2.373 1.00 0.00 C ATOM 231 O LEU A 48 0.583 3.019 1.641 1.00 0.00 O ATOM 232 CB LEU A 48 -2.318 4.212 1.106 1.00 0.00 C ATOM 233 CG LEU A 48 -3.507 5.170 1.035 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.556 4.648 0.066 1.00 0.00 C ATOM 235 CD2 LEU A 48 -4.111 5.375 2.417 1.00 0.00 C ATOM 0 H LEU A 48 -0.451 5.549 0.124 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.470 5.220 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.984 4.004 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.663 3.268 1.528 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.151 6.133 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.395 5.343 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.118 4.554 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.908 3.672 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.956 6.060 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.452 4.417 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.358 5.795 3.084 1.00 0.00 H new ATOM 247 N PHE A 49 -0.551 3.022 3.584 1.00 0.00 N ATOM 248 CA PHE A 49 0.172 1.882 4.135 1.00 0.00 C ATOM 249 C PHE A 49 -0.792 0.777 4.555 1.00 0.00 C ATOM 250 O PHE A 49 -1.662 0.985 5.401 1.00 0.00 O ATOM 251 CB PHE A 49 1.019 2.318 5.332 1.00 0.00 C ATOM 252 CG PHE A 49 1.265 1.218 6.325 1.00 0.00 C ATOM 253 CD1 PHE A 49 2.041 0.122 5.985 1.00 0.00 C ATOM 254 CD2 PHE A 49 0.721 1.281 7.598 1.00 0.00 C ATOM 255 CE1 PHE A 49 2.269 -0.892 6.896 1.00 0.00 C ATOM 256 CE2 PHE A 49 0.946 0.270 8.513 1.00 0.00 C ATOM 257 CZ PHE A 49 1.722 -0.817 8.162 1.00 0.00 C ATOM 0 H PHE A 49 -1.264 3.408 4.203 1.00 0.00 H new ATOM 0 HA PHE A 49 0.828 1.491 3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.977 2.692 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.522 3.147 5.836 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.473 0.059 4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.114 2.130 7.878 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.874 -1.742 6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.515 0.330 9.502 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.901 -1.607 8.876 1.00 0.00 H new ATOM 267 N VAL A 50 -0.632 -0.400 3.957 1.00 0.00 N ATOM 268 CA VAL A 50 -1.487 -1.539 4.269 1.00 0.00 C ATOM 269 C VAL A 50 -0.780 -2.519 5.198 1.00 0.00 C ATOM 270 O VAL A 50 0.377 -2.874 4.978 1.00 0.00 O ATOM 271 CB VAL A 50 -1.920 -2.281 2.991 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.862 -3.426 3.332 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.572 -1.318 2.010 1.00 0.00 C ATOM 0 H VAL A 50 0.082 -0.589 3.254 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.372 -1.144 4.769 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.032 -2.700 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.158 -3.939 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.356 -4.128 3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.748 -3.032 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.872 -1.860 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.450 -0.867 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.862 -0.536 1.741 1.00 0.00 H new ATOM 283 N GLY A 51 -1.485 -2.953 6.238 1.00 0.00 N ATOM 284 CA GLY A 51 -0.908 -3.889 7.186 1.00 0.00 C ATOM 285 C GLY A 51 -1.752 -5.138 7.354 1.00 0.00 C ATOM 286 O GLY A 51 -1.742 -5.762 8.414 1.00 0.00 O ATOM 0 H GLY A 51 -2.445 -2.674 6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.090 -4.171 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.794 -3.399 8.153 1.00 0.00 H new ATOM 290 N GLN A 52 -2.484 -5.501 6.305 1.00 0.00 N ATOM 291 CA GLN A 52 -3.338 -6.682 6.343 1.00 0.00 C ATOM 292 C GLN A 52 -3.103 -7.563 5.121 1.00 0.00 C ATOM 293 O GLN A 52 -4.050 -8.057 4.508 1.00 0.00 O ATOM 294 CB GLN A 52 -4.810 -6.270 6.414 1.00 0.00 C ATOM 295 CG GLN A 52 -5.336 -6.132 7.834 1.00 0.00 C ATOM 296 CD GLN A 52 -4.257 -5.725 8.818 1.00 0.00 C ATOM 297 OE1 GLN A 52 -3.874 -4.557 8.890 1.00 0.00 O ATOM 298 NE2 GLN A 52 -3.761 -6.689 9.585 1.00 0.00 N ATOM 0 H GLN A 52 -2.503 -4.995 5.420 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.084 -7.255 7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.938 -5.321 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.411 -7.008 5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.136 -5.392 7.851 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.772 -7.080 8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.108 -7.644 9.492 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.033 -6.475 10.267 1.00 0.00 H new ATOM 307 N ILE A 53 -1.835 -7.757 4.773 1.00 0.00 N ATOM 308 CA ILE A 53 -1.476 -8.580 3.625 1.00 0.00 C ATOM 309 C ILE A 53 -0.927 -9.932 4.068 1.00 0.00 C ATOM 310 O ILE A 53 0.153 -10.031 4.651 1.00 0.00 O ATOM 311 CB ILE A 53 -0.432 -7.881 2.736 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.869 -6.447 2.428 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.222 -8.664 1.448 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.241 -5.582 1.873 1.00 0.00 C ATOM 0 H ILE A 53 -1.040 -7.355 5.270 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.388 -8.732 3.048 1.00 0.00 H new ATOM 0 HB ILE A 53 0.515 -7.845 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.691 -6.472 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.254 -5.990 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.519 -8.157 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.130 -9.668 1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.164 -8.729 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.141 -4.580 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.055 -5.526 2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.611 -6.016 0.944 1.00 0.00 H new ATOM 326 N PRO A 54 -1.687 -11.001 3.784 1.00 0.00 N ATOM 327 CA PRO A 54 -1.295 -12.367 4.142 1.00 0.00 C ATOM 328 C PRO A 54 -0.113 -12.866 3.318 1.00 0.00 C ATOM 329 O PRO A 54 0.578 -12.081 2.669 1.00 0.00 O ATOM 330 CB PRO A 54 -2.549 -13.188 3.830 1.00 0.00 C ATOM 331 CG PRO A 54 -3.267 -12.403 2.787 1.00 0.00 C ATOM 332 CD PRO A 54 -2.985 -10.957 3.091 1.00 0.00 C ATOM 0 HA PRO A 54 -0.968 -12.439 5.179 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.291 -14.183 3.468 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.166 -13.322 4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.917 -12.668 1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.338 -12.606 2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.935 -10.358 2.182 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.761 -10.520 3.719 1.00 0.00 H new ATOM 340 N ARG A 55 0.113 -14.175 3.349 1.00 0.00 N ATOM 341 CA ARG A 55 1.213 -14.778 2.606 1.00 0.00 C ATOM 342 C ARG A 55 0.697 -15.509 1.370 1.00 0.00 C ATOM 343 O ARG A 55 -0.057 -16.475 1.477 1.00 0.00 O ATOM 344 CB ARG A 55 1.989 -15.749 3.499 1.00 0.00 C ATOM 345 CG ARG A 55 3.138 -15.098 4.251 1.00 0.00 C ATOM 346 CD ARG A 55 4.402 -15.055 3.408 1.00 0.00 C ATOM 347 NE ARG A 55 5.022 -16.371 3.282 1.00 0.00 N ATOM 348 CZ ARG A 55 5.821 -16.714 2.278 1.00 0.00 C ATOM 349 NH1 ARG A 55 6.095 -15.843 1.317 1.00 0.00 N ATOM 350 NH2 ARG A 55 6.347 -17.932 2.233 1.00 0.00 N ATOM 0 H ARG A 55 -0.451 -14.838 3.881 1.00 0.00 H new ATOM 0 HA ARG A 55 1.881 -13.980 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.302 -16.196 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.381 -16.560 2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.858 -14.085 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.331 -15.650 5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.163 -14.671 2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.113 -14.361 3.856 1.00 0.00 H new ATOM 0 HE ARG A 55 4.831 -17.065 4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.692 -14.907 1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.709 -16.109 0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.138 -18.605 2.970 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.960 -18.194 1.462 1.00 0.00 H new ATOM 364 N GLY A 56 1.111 -15.041 0.196 1.00 0.00 N ATOM 365 CA GLY A 56 0.680 -15.661 -1.043 1.00 0.00 C ATOM 366 C GLY A 56 0.412 -14.646 -2.137 1.00 0.00 C ATOM 367 O GLY A 56 0.536 -14.953 -3.323 1.00 0.00 O ATOM 0 H GLY A 56 1.737 -14.244 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.444 -16.361 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.225 -16.241 -0.860 1.00 0.00 H new ATOM 371 N LEU A 57 0.043 -13.433 -1.739 1.00 0.00 N ATOM 372 CA LEU A 57 -0.245 -12.369 -2.694 1.00 0.00 C ATOM 373 C LEU A 57 0.935 -11.410 -2.813 1.00 0.00 C ATOM 374 O LEU A 57 1.773 -11.327 -1.915 1.00 0.00 O ATOM 375 CB LEU A 57 -1.499 -11.603 -2.271 1.00 0.00 C ATOM 376 CG LEU A 57 -2.748 -12.447 -2.014 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.862 -11.590 -1.435 1.00 0.00 C ATOM 378 CD2 LEU A 57 -3.206 -13.125 -3.297 1.00 0.00 C ATOM 0 H LEU A 57 -0.064 -13.162 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.417 -12.826 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.270 -11.044 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.732 -10.872 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.498 -13.220 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.742 -12.208 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.532 -11.152 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.112 -10.795 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.096 -13.721 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.438 -12.368 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.412 -13.772 -3.670 1.00 0.00 H new ATOM 390 N ASP A 58 0.993 -10.687 -3.926 1.00 0.00 N ATOM 391 CA ASP A 58 2.068 -9.730 -4.161 1.00 0.00 C ATOM 392 C ASP A 58 1.525 -8.438 -4.763 1.00 0.00 C ATOM 393 O ASP A 58 0.321 -8.301 -4.977 1.00 0.00 O ATOM 394 CB ASP A 58 3.123 -10.335 -5.089 1.00 0.00 C ATOM 395 CG ASP A 58 3.513 -11.742 -4.682 1.00 0.00 C ATOM 396 OD1 ASP A 58 4.005 -11.917 -3.548 1.00 0.00 O ATOM 397 OD2 ASP A 58 3.328 -12.669 -5.499 1.00 0.00 O ATOM 0 H ASP A 58 0.308 -10.745 -4.680 1.00 0.00 H new ATOM 0 HA ASP A 58 2.529 -9.496 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.741 -10.348 -6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.010 -9.701 -5.089 1.00 0.00 H new ATOM 402 N GLU A 59 2.421 -7.494 -5.033 1.00 0.00 N ATOM 403 CA GLU A 59 2.029 -6.212 -5.608 1.00 0.00 C ATOM 404 C GLU A 59 1.222 -6.414 -6.887 1.00 0.00 C ATOM 405 O GLU A 59 0.499 -5.519 -7.324 1.00 0.00 O ATOM 406 CB GLU A 59 3.266 -5.361 -5.901 1.00 0.00 C ATOM 407 CG GLU A 59 4.156 -5.143 -4.689 1.00 0.00 C ATOM 408 CD GLU A 59 5.611 -4.933 -5.064 1.00 0.00 C ATOM 409 OE1 GLU A 59 5.871 -4.441 -6.182 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.489 -5.261 -4.238 1.00 0.00 O ATOM 0 H GLU A 59 3.422 -7.592 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 59 1.403 -5.693 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.849 -5.841 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.947 -4.392 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.799 -4.276 -4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.076 -6.004 -4.025 1.00 0.00 H new ATOM 417 N GLN A 60 1.353 -7.595 -7.483 1.00 0.00 N ATOM 418 CA GLN A 60 0.637 -7.914 -8.712 1.00 0.00 C ATOM 419 C GLN A 60 -0.819 -8.261 -8.420 1.00 0.00 C ATOM 420 O GLN A 60 -1.688 -8.105 -9.278 1.00 0.00 O ATOM 421 CB GLN A 60 1.316 -9.078 -9.435 1.00 0.00 C ATOM 422 CG GLN A 60 0.641 -9.459 -10.743 1.00 0.00 C ATOM 423 CD GLN A 60 1.281 -10.666 -11.400 1.00 0.00 C ATOM 424 OE1 GLN A 60 2.473 -10.661 -11.708 1.00 0.00 O ATOM 425 NE2 GLN A 60 0.490 -11.710 -11.620 1.00 0.00 N ATOM 0 H GLN A 60 1.948 -8.346 -7.134 1.00 0.00 H new ATOM 0 HA GLN A 60 0.659 -7.034 -9.354 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.355 -8.814 -9.635 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.329 -9.946 -8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.412 -9.668 -10.556 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.682 -8.613 -11.429 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.493 -11.672 -11.349 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.865 -12.550 -12.060 1.00 0.00 H new ATOM 434 N ASP A 61 -1.077 -8.732 -7.205 1.00 0.00 N ATOM 435 CA ASP A 61 -2.428 -9.101 -6.800 1.00 0.00 C ATOM 436 C ASP A 61 -3.094 -7.965 -6.030 1.00 0.00 C ATOM 437 O ASP A 61 -4.293 -8.007 -5.753 1.00 0.00 O ATOM 438 CB ASP A 61 -2.398 -10.366 -5.941 1.00 0.00 C ATOM 439 CG ASP A 61 -2.258 -11.627 -6.771 1.00 0.00 C ATOM 440 OD1 ASP A 61 -3.119 -11.859 -7.646 1.00 0.00 O ATOM 441 OD2 ASP A 61 -1.289 -12.382 -6.546 1.00 0.00 O ATOM 0 H ASP A 61 -0.369 -8.867 -6.484 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.010 -9.296 -7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.568 -10.304 -5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.313 -10.423 -5.351 1.00 0.00 H new ATOM 446 N LEU A 62 -2.308 -6.950 -5.687 1.00 0.00 N ATOM 447 CA LEU A 62 -2.821 -5.801 -4.948 1.00 0.00 C ATOM 448 C LEU A 62 -3.180 -4.661 -5.895 1.00 0.00 C ATOM 449 O LEU A 62 -4.095 -3.881 -5.628 1.00 0.00 O ATOM 450 CB LEU A 62 -1.787 -5.325 -3.926 1.00 0.00 C ATOM 451 CG LEU A 62 -1.408 -6.329 -2.837 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.183 -5.850 -2.073 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.576 -6.554 -1.889 1.00 0.00 C ATOM 0 H LEU A 62 -1.314 -6.899 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.725 -6.111 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.881 -5.041 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.169 -4.425 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.165 -7.279 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.072 -6.577 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.655 -5.741 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.398 -4.888 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.288 -7.271 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.850 -5.610 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.428 -6.943 -2.447 1.00 0.00 H new ATOM 465 N LYS A 63 -2.455 -4.570 -7.005 1.00 0.00 N ATOM 466 CA LYS A 63 -2.698 -3.527 -7.995 1.00 0.00 C ATOM 467 C LYS A 63 -4.166 -3.501 -8.409 1.00 0.00 C ATOM 468 O LYS A 63 -4.795 -2.446 -8.488 1.00 0.00 O ATOM 469 CB LYS A 63 -1.814 -3.747 -9.225 1.00 0.00 C ATOM 470 CG LYS A 63 -0.497 -2.993 -9.169 1.00 0.00 C ATOM 471 CD LYS A 63 0.590 -3.712 -9.951 1.00 0.00 C ATOM 472 CE LYS A 63 0.165 -3.969 -11.388 1.00 0.00 C ATOM 473 NZ LYS A 63 1.127 -4.855 -12.101 1.00 0.00 N ATOM 0 H LYS A 63 -1.694 -5.206 -7.242 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.449 -2.567 -7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.609 -4.812 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.362 -3.439 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.634 -1.990 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.185 -2.880 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.502 -3.115 -9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.824 -4.659 -9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.825 -4.425 -11.398 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.084 -3.020 -11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.802 -5.006 -13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.066 -4.408 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.186 -5.770 -11.610 1.00 0.00 H new ATOM 487 N PRO A 64 -4.726 -4.690 -8.678 1.00 0.00 N ATOM 488 CA PRO A 64 -6.127 -4.830 -9.086 1.00 0.00 C ATOM 489 C PRO A 64 -7.075 -4.043 -8.187 1.00 0.00 C ATOM 490 O PRO A 64 -7.864 -3.226 -8.663 1.00 0.00 O ATOM 491 CB PRO A 64 -6.387 -6.332 -8.953 1.00 0.00 C ATOM 492 CG PRO A 64 -5.049 -6.964 -9.119 1.00 0.00 C ATOM 493 CD PRO A 64 -4.036 -5.988 -8.605 1.00 0.00 C ATOM 0 HA PRO A 64 -6.300 -4.441 -10.089 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.822 -6.574 -7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.087 -6.681 -9.712 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.995 -7.902 -8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.861 -7.199 -10.167 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.736 -6.224 -7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.131 -5.994 -9.213 1.00 0.00 H new ATOM 501 N LEU A 65 -6.992 -4.294 -6.885 1.00 0.00 N ATOM 502 CA LEU A 65 -7.842 -3.609 -5.918 1.00 0.00 C ATOM 503 C LEU A 65 -7.572 -2.108 -5.923 1.00 0.00 C ATOM 504 O LEU A 65 -8.487 -1.302 -6.097 1.00 0.00 O ATOM 505 CB LEU A 65 -7.612 -4.175 -4.516 1.00 0.00 C ATOM 506 CG LEU A 65 -8.315 -5.496 -4.201 1.00 0.00 C ATOM 507 CD1 LEU A 65 -8.020 -5.932 -2.774 1.00 0.00 C ATOM 508 CD2 LEU A 65 -9.815 -5.367 -4.422 1.00 0.00 C ATOM 0 H LEU A 65 -6.345 -4.967 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.881 -3.774 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.540 -4.314 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.937 -3.431 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.932 -6.260 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.529 -6.874 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.945 -6.065 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.374 -5.170 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.299 -6.316 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.213 -4.590 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.008 -5.102 -5.462 1.00 0.00 H new ATOM 520 N PHE A 66 -6.309 -1.738 -5.734 1.00 0.00 N ATOM 521 CA PHE A 66 -5.918 -0.334 -5.718 1.00 0.00 C ATOM 522 C PHE A 66 -6.254 0.340 -7.046 1.00 0.00 C ATOM 523 O PHE A 66 -6.409 1.558 -7.113 1.00 0.00 O ATOM 524 CB PHE A 66 -4.421 -0.202 -5.431 1.00 0.00 C ATOM 525 CG PHE A 66 -4.010 -0.793 -4.112 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.779 -0.592 -2.978 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.853 -1.549 -4.007 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.403 -1.134 -1.763 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.472 -2.094 -2.796 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.248 -1.886 -1.672 1.00 0.00 C ATOM 0 H PHE A 66 -5.539 -2.392 -5.590 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.478 0.164 -4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.862 -0.690 -6.229 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.147 0.853 -5.449 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.683 -0.005 -3.044 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.242 -1.714 -4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.012 -0.970 -0.886 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.569 -2.682 -2.728 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.952 -2.311 -0.724 1.00 0.00 H new ATOM 540 N GLU A 67 -6.362 -0.464 -8.099 1.00 0.00 N ATOM 541 CA GLU A 67 -6.677 0.054 -9.425 1.00 0.00 C ATOM 542 C GLU A 67 -8.184 0.218 -9.601 1.00 0.00 C ATOM 543 O GLU A 67 -8.652 0.658 -10.650 1.00 0.00 O ATOM 544 CB GLU A 67 -6.125 -0.878 -10.506 1.00 0.00 C ATOM 545 CG GLU A 67 -4.683 -0.583 -10.885 1.00 0.00 C ATOM 546 CD GLU A 67 -4.302 -1.172 -12.229 1.00 0.00 C ATOM 547 OE1 GLU A 67 -4.803 -2.267 -12.560 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.502 -0.539 -12.950 1.00 0.00 O ATOM 0 H GLU A 67 -6.236 -1.475 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.208 1.033 -9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.197 -1.908 -10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.749 -0.799 -11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.531 0.496 -10.909 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.020 -0.981 -10.117 1.00 0.00 H new ATOM 555 N GLU A 68 -8.937 -0.141 -8.566 1.00 0.00 N ATOM 556 CA GLU A 68 -10.391 -0.035 -8.607 1.00 0.00 C ATOM 557 C GLU A 68 -10.847 1.363 -8.197 1.00 0.00 C ATOM 558 O GLU A 68 -11.991 1.750 -8.436 1.00 0.00 O ATOM 559 CB GLU A 68 -11.027 -1.080 -7.688 1.00 0.00 C ATOM 560 CG GLU A 68 -12.533 -1.201 -7.854 1.00 0.00 C ATOM 561 CD GLU A 68 -12.922 -2.154 -8.967 1.00 0.00 C ATOM 562 OE1 GLU A 68 -12.191 -3.143 -9.185 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.959 -1.912 -9.619 1.00 0.00 O ATOM 0 H GLU A 68 -8.565 -0.507 -7.690 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.714 -0.218 -9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.569 -2.050 -7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.803 -0.825 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.972 -1.544 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.952 -0.216 -8.061 1.00 0.00 H new ATOM 570 N PHE A 69 -9.943 2.116 -7.580 1.00 0.00 N ATOM 571 CA PHE A 69 -10.251 3.471 -7.135 1.00 0.00 C ATOM 572 C PHE A 69 -9.503 4.502 -7.975 1.00 0.00 C ATOM 573 O PHE A 69 -10.111 5.378 -8.589 1.00 0.00 O ATOM 574 CB PHE A 69 -9.889 3.640 -5.658 1.00 0.00 C ATOM 575 CG PHE A 69 -10.597 2.674 -4.752 1.00 0.00 C ATOM 576 CD1 PHE A 69 -10.057 1.426 -4.489 1.00 0.00 C ATOM 577 CD2 PHE A 69 -11.805 3.014 -4.165 1.00 0.00 C ATOM 578 CE1 PHE A 69 -10.706 0.535 -3.656 1.00 0.00 C ATOM 579 CE2 PHE A 69 -12.459 2.128 -3.330 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.910 0.886 -3.077 1.00 0.00 C ATOM 0 H PHE A 69 -8.991 1.812 -7.376 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.321 3.634 -7.260 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.813 3.514 -5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.127 4.657 -5.348 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.117 1.146 -4.941 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.241 3.982 -4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.273 -0.434 -3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -13.398 2.406 -2.876 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.421 0.191 -2.428 1.00 0.00 H new ATOM 590 N GLY A 70 -8.178 4.391 -7.997 1.00 0.00 N ATOM 591 CA GLY A 70 -7.368 5.320 -8.764 1.00 0.00 C ATOM 592 C GLY A 70 -6.140 4.662 -9.360 1.00 0.00 C ATOM 593 O GLY A 70 -5.923 3.463 -9.185 1.00 0.00 O ATOM 0 H GLY A 70 -7.651 3.675 -7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.971 5.749 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.059 6.144 -8.121 1.00 0.00 H new ATOM 597 N ARG A 71 -5.335 5.448 -10.068 1.00 0.00 N ATOM 598 CA ARG A 71 -4.123 4.934 -10.696 1.00 0.00 C ATOM 599 C ARG A 71 -2.980 4.857 -9.688 1.00 0.00 C ATOM 600 O ARG A 71 -2.740 5.801 -8.934 1.00 0.00 O ATOM 601 CB ARG A 71 -3.719 5.820 -11.875 1.00 0.00 C ATOM 602 CG ARG A 71 -2.470 5.341 -12.596 1.00 0.00 C ATOM 603 CD ARG A 71 -2.782 4.205 -13.558 1.00 0.00 C ATOM 604 NE ARG A 71 -1.574 3.513 -13.998 1.00 0.00 N ATOM 605 CZ ARG A 71 -1.584 2.459 -14.808 1.00 0.00 C ATOM 606 NH1 ARG A 71 -2.733 1.980 -15.263 1.00 0.00 N ATOM 607 NH2 ARG A 71 -0.443 1.884 -15.163 1.00 0.00 N ATOM 0 H ARG A 71 -5.500 6.443 -10.221 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.331 3.928 -11.061 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.544 5.863 -12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.554 6.836 -11.516 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.024 6.171 -13.144 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.732 5.008 -11.866 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.451 3.494 -13.074 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.310 4.600 -14.426 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.673 3.857 -13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.612 2.420 -14.992 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.738 1.171 -15.884 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.443 2.250 -14.814 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.451 1.075 -15.785 1.00 0.00 H new ATOM 621 N ILE A 72 -2.280 3.729 -9.680 1.00 0.00 N ATOM 622 CA ILE A 72 -1.162 3.530 -8.766 1.00 0.00 C ATOM 623 C ILE A 72 0.110 4.175 -9.305 1.00 0.00 C ATOM 624 O ILE A 72 0.415 4.074 -10.494 1.00 0.00 O ATOM 625 CB ILE A 72 -0.899 2.033 -8.516 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.104 1.389 -7.827 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.358 1.849 -7.678 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.047 -0.122 -7.798 1.00 0.00 C ATOM 0 H ILE A 72 -2.467 2.938 -10.296 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.436 4.005 -7.824 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.747 1.540 -9.476 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.170 1.762 -6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.014 1.700 -8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.531 0.786 -7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.212 2.277 -8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.233 2.353 -6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.933 -0.510 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.012 -0.504 -8.818 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.155 -0.442 -7.260 1.00 0.00 H new ATOM 640 N TYR A 73 0.851 4.836 -8.422 1.00 0.00 N ATOM 641 CA TYR A 73 2.091 5.499 -8.809 1.00 0.00 C ATOM 642 C TYR A 73 3.302 4.647 -8.440 1.00 0.00 C ATOM 643 O TYR A 73 4.307 4.639 -9.149 1.00 0.00 O ATOM 644 CB TYR A 73 2.193 6.869 -8.136 1.00 0.00 C ATOM 645 CG TYR A 73 3.480 7.600 -8.444 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.699 7.129 -7.972 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.477 8.762 -9.205 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.878 7.795 -8.250 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.651 9.433 -9.490 1.00 0.00 C ATOM 650 CZ TYR A 73 5.848 8.945 -9.010 1.00 0.00 C ATOM 651 OH TYR A 73 7.019 9.612 -9.289 1.00 0.00 O ATOM 0 H TYR A 73 0.615 4.927 -7.434 1.00 0.00 H new ATOM 0 HA TYR A 73 2.080 5.633 -9.891 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.351 7.484 -8.453 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.106 6.742 -7.057 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.726 6.227 -7.378 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.541 9.148 -9.581 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.817 7.417 -7.874 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.631 10.334 -10.085 1.00 0.00 H new ATOM 0 HH TYR A 73 6.824 10.401 -9.836 1.00 0.00 H new ATOM 661 N GLU A 74 3.195 3.930 -7.326 1.00 0.00 N ATOM 662 CA GLU A 74 4.281 3.074 -6.862 1.00 0.00 C ATOM 663 C GLU A 74 3.789 2.099 -5.797 1.00 0.00 C ATOM 664 O GLU A 74 3.172 2.500 -4.809 1.00 0.00 O ATOM 665 CB GLU A 74 5.425 3.923 -6.302 1.00 0.00 C ATOM 666 CG GLU A 74 6.538 3.103 -5.671 1.00 0.00 C ATOM 667 CD GLU A 74 7.415 3.925 -4.746 1.00 0.00 C ATOM 668 OE1 GLU A 74 7.013 4.138 -3.583 1.00 0.00 O ATOM 669 OE2 GLU A 74 8.503 4.354 -5.184 1.00 0.00 O ATOM 0 H GLU A 74 2.368 3.925 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 74 4.646 2.500 -7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.843 4.530 -7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.025 4.611 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.102 2.275 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.154 2.667 -6.458 1.00 0.00 H new ATOM 676 N LEU A 75 4.064 0.816 -6.006 1.00 0.00 N ATOM 677 CA LEU A 75 3.649 -0.219 -5.065 1.00 0.00 C ATOM 678 C LEU A 75 4.824 -1.115 -4.687 1.00 0.00 C ATOM 679 O LEU A 75 5.426 -1.762 -5.544 1.00 0.00 O ATOM 680 CB LEU A 75 2.523 -1.061 -5.667 1.00 0.00 C ATOM 681 CG LEU A 75 1.803 -2.005 -4.703 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.531 -1.311 -3.378 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.506 -2.509 -5.320 1.00 0.00 C ATOM 0 H LEU A 75 4.573 0.467 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 75 3.285 0.271 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.785 -0.387 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.936 -1.653 -6.484 1.00 0.00 H new ATOM 0 HG LEU A 75 2.449 -2.862 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.018 -1.999 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.475 -1.001 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.905 -0.435 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.007 -3.179 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.145 -1.663 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.727 -3.046 -6.243 1.00 0.00 H new ATOM 695 N THR A 76 5.145 -1.149 -3.398 1.00 0.00 N ATOM 696 CA THR A 76 6.248 -1.967 -2.906 1.00 0.00 C ATOM 697 C THR A 76 5.864 -2.692 -1.621 1.00 0.00 C ATOM 698 O THR A 76 5.208 -2.124 -0.748 1.00 0.00 O ATOM 699 CB THR A 76 7.505 -1.116 -2.646 1.00 0.00 C ATOM 700 OG1 THR A 76 8.141 -0.789 -3.886 1.00 0.00 O ATOM 701 CG2 THR A 76 8.484 -1.859 -1.749 1.00 0.00 C ATOM 0 H THR A 76 4.657 -0.620 -2.675 1.00 0.00 H new ATOM 0 HA THR A 76 6.469 -2.700 -3.682 1.00 0.00 H new ATOM 0 HB THR A 76 7.198 -0.199 -2.143 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.938 -0.246 -3.712 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.364 -1.239 -1.579 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.007 -2.081 -0.795 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.784 -2.790 -2.230 1.00 0.00 H new ATOM 709 N VAL A 77 6.277 -3.951 -1.512 1.00 0.00 N ATOM 710 CA VAL A 77 5.977 -4.754 -0.332 1.00 0.00 C ATOM 711 C VAL A 77 7.176 -4.818 0.607 1.00 0.00 C ATOM 712 O VAL A 77 8.326 -4.758 0.169 1.00 0.00 O ATOM 713 CB VAL A 77 5.564 -6.186 -0.719 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.675 -7.116 0.480 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.153 -6.199 -1.285 1.00 0.00 C ATOM 0 H VAL A 77 6.820 -4.437 -2.226 1.00 0.00 H new ATOM 0 HA VAL A 77 5.145 -4.270 0.179 1.00 0.00 H new ATOM 0 HB VAL A 77 6.244 -6.545 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.379 -8.124 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.705 -7.129 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.020 -6.762 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.878 -7.219 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.457 -5.820 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.111 -5.567 -2.172 1.00 0.00 H new ATOM 725 N LEU A 78 6.901 -4.941 1.901 1.00 0.00 N ATOM 726 CA LEU A 78 7.957 -5.014 2.904 1.00 0.00 C ATOM 727 C LEU A 78 8.234 -6.461 3.299 1.00 0.00 C ATOM 728 O LEU A 78 7.316 -7.212 3.630 1.00 0.00 O ATOM 729 CB LEU A 78 7.570 -4.202 4.141 1.00 0.00 C ATOM 730 CG LEU A 78 7.539 -2.683 3.964 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.510 -2.058 4.894 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.917 -2.089 4.214 1.00 0.00 C ATOM 0 H LEU A 78 5.955 -4.992 2.280 1.00 0.00 H new ATOM 0 HA LEU A 78 8.865 -4.594 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.584 -4.529 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.271 -4.440 4.941 1.00 0.00 H new ATOM 0 HG LEU A 78 7.251 -2.462 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.502 -0.977 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.523 -2.460 4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.767 -2.288 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.876 -1.008 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.234 -2.320 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.630 -2.513 3.507 1.00 0.00 H new ATOM 744 N LYS A 79 9.505 -6.846 3.263 1.00 0.00 N ATOM 745 CA LYS A 79 9.905 -8.202 3.620 1.00 0.00 C ATOM 746 C LYS A 79 10.883 -8.191 4.790 1.00 0.00 C ATOM 747 O LYS A 79 11.249 -7.129 5.296 1.00 0.00 O ATOM 748 CB LYS A 79 10.541 -8.902 2.416 1.00 0.00 C ATOM 749 CG LYS A 79 9.559 -9.198 1.296 1.00 0.00 C ATOM 750 CD LYS A 79 9.495 -8.058 0.295 1.00 0.00 C ATOM 751 CE LYS A 79 8.936 -8.521 -1.042 1.00 0.00 C ATOM 752 NZ LYS A 79 9.868 -9.449 -1.741 1.00 0.00 N ATOM 0 H LYS A 79 10.277 -6.237 2.990 1.00 0.00 H new ATOM 0 HA LYS A 79 9.012 -8.750 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.346 -8.278 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.994 -9.836 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.853 -10.115 0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.568 -9.371 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.872 -7.257 0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.493 -7.644 0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.979 -9.019 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.743 -7.655 -1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.658 -9.450 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.848 -9.135 -1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.750 -10.410 -1.362 1.00 0.00 H new ATOM 766 N ASP A 80 11.304 -9.377 5.215 1.00 0.00 N ATOM 767 CA ASP A 80 12.242 -9.503 6.324 1.00 0.00 C ATOM 768 C ASP A 80 13.647 -9.090 5.897 1.00 0.00 C ATOM 769 O ASP A 80 13.868 -8.697 4.751 1.00 0.00 O ATOM 770 CB ASP A 80 12.257 -10.940 6.847 1.00 0.00 C ATOM 771 CG ASP A 80 11.242 -11.166 7.949 1.00 0.00 C ATOM 772 OD1 ASP A 80 11.586 -10.939 9.128 1.00 0.00 O ATOM 773 OD2 ASP A 80 10.103 -11.570 7.634 1.00 0.00 O ATOM 0 H ASP A 80 11.010 -10.265 4.808 1.00 0.00 H new ATOM 0 HA ASP A 80 11.913 -8.837 7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.054 -11.625 6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.253 -11.177 7.221 1.00 0.00 H new ATOM 778 N ARG A 81 14.593 -9.179 6.826 1.00 0.00 N ATOM 779 CA ARG A 81 15.976 -8.812 6.547 1.00 0.00 C ATOM 780 C ARG A 81 16.865 -10.051 6.482 1.00 0.00 C ATOM 781 O ARG A 81 17.909 -10.046 5.828 1.00 0.00 O ATOM 782 CB ARG A 81 16.498 -7.852 7.618 1.00 0.00 C ATOM 783 CG ARG A 81 17.908 -7.352 7.352 1.00 0.00 C ATOM 784 CD ARG A 81 17.920 -6.251 6.303 1.00 0.00 C ATOM 785 NE ARG A 81 17.665 -4.936 6.885 1.00 0.00 N ATOM 786 CZ ARG A 81 17.448 -3.843 6.164 1.00 0.00 C ATOM 787 NH1 ARG A 81 17.453 -3.906 4.840 1.00 0.00 N ATOM 788 NH2 ARG A 81 17.223 -2.682 6.767 1.00 0.00 N ATOM 0 H ARG A 81 14.427 -9.502 7.779 1.00 0.00 H new ATOM 0 HA ARG A 81 16.005 -8.314 5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 81 15.825 -6.997 7.687 1.00 0.00 H new ATOM 0 HB3 ARG A 81 16.476 -8.354 8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 81 18.343 -6.978 8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.532 -8.181 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.886 -6.242 5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.166 -6.464 5.545 1.00 0.00 H new ATOM 0 HE ARG A 81 17.653 -4.853 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.624 -4.796 4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.286 -3.064 4.289 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.217 -2.629 7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.056 -1.843 6.212 1.00 0.00 H new ATOM 802 N LEU A 82 16.445 -11.110 7.165 1.00 0.00 N ATOM 803 CA LEU A 82 17.203 -12.356 7.186 1.00 0.00 C ATOM 804 C LEU A 82 16.668 -13.336 6.148 1.00 0.00 C ATOM 805 O LEU A 82 17.436 -13.993 5.444 1.00 0.00 O ATOM 806 CB LEU A 82 17.145 -12.988 8.578 1.00 0.00 C ATOM 807 CG LEU A 82 17.879 -12.235 9.689 1.00 0.00 C ATOM 808 CD1 LEU A 82 16.953 -11.227 10.352 1.00 0.00 C ATOM 809 CD2 LEU A 82 18.433 -13.210 10.717 1.00 0.00 C ATOM 0 H LEU A 82 15.584 -11.131 7.711 1.00 0.00 H new ATOM 0 HA LEU A 82 18.240 -12.126 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.099 -13.090 8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.558 -13.995 8.515 1.00 0.00 H new ATOM 0 HG LEU A 82 18.714 -11.693 9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 82 17.492 -10.701 11.140 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.605 -10.510 9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.098 -11.747 10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 82 18.952 -12.657 11.500 1.00 0.00 H new ATOM 0 HD22 LEU A 82 17.614 -13.779 11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.130 -13.893 10.232 1.00 0.00 H new ATOM 821 N THR A 83 15.345 -13.429 6.055 1.00 0.00 N ATOM 822 CA THR A 83 14.706 -14.328 5.102 1.00 0.00 C ATOM 823 C THR A 83 14.070 -13.551 3.955 1.00 0.00 C ATOM 824 O THR A 83 13.807 -14.104 2.888 1.00 0.00 O ATOM 825 CB THR A 83 13.628 -15.193 5.781 1.00 0.00 C ATOM 826 OG1 THR A 83 12.543 -14.368 6.220 1.00 0.00 O ATOM 827 CG2 THR A 83 14.208 -15.950 6.966 1.00 0.00 C ATOM 0 H THR A 83 14.695 -12.892 6.629 1.00 0.00 H new ATOM 0 HA THR A 83 15.487 -14.978 4.708 1.00 0.00 H new ATOM 0 HB THR A 83 13.262 -15.916 5.052 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.940 -14.894 6.786 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.428 -16.554 7.429 1.00 0.00 H new ATOM 0 HG22 THR A 83 15.014 -16.599 6.624 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.599 -15.240 7.695 1.00 0.00 H new ATOM 835 N GLY A 84 13.826 -12.264 4.181 1.00 0.00 N ATOM 836 CA GLY A 84 13.224 -11.431 3.157 1.00 0.00 C ATOM 837 C GLY A 84 11.905 -11.989 2.659 1.00 0.00 C ATOM 838 O GLY A 84 11.563 -11.840 1.485 1.00 0.00 O ATOM 0 H GLY A 84 14.035 -11.783 5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.064 -10.429 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.914 -11.335 2.319 1.00 0.00 H new ATOM 842 N LEU A 85 11.162 -12.633 3.552 1.00 0.00 N ATOM 843 CA LEU A 85 9.873 -13.217 3.197 1.00 0.00 C ATOM 844 C LEU A 85 8.733 -12.256 3.521 1.00 0.00 C ATOM 845 O LEU A 85 8.699 -11.655 4.595 1.00 0.00 O ATOM 846 CB LEU A 85 9.667 -14.539 3.939 1.00 0.00 C ATOM 847 CG LEU A 85 10.505 -15.720 3.449 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.536 -16.823 4.496 1.00 0.00 C ATOM 849 CD2 LEU A 85 9.961 -16.250 2.130 1.00 0.00 C ATOM 0 H LEU A 85 11.430 -12.764 4.527 1.00 0.00 H new ATOM 0 HA LEU A 85 9.871 -13.406 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.885 -14.378 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.614 -14.812 3.869 1.00 0.00 H new ATOM 0 HG LEU A 85 11.525 -15.373 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.137 -17.655 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.973 -16.438 5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.521 -17.167 4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.570 -17.090 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.931 -16.580 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.992 -15.460 1.380 1.00 0.00 H new ATOM 861 N HIS A 86 7.799 -12.118 2.585 1.00 0.00 N ATOM 862 CA HIS A 86 6.654 -11.233 2.772 1.00 0.00 C ATOM 863 C HIS A 86 6.207 -11.224 4.230 1.00 0.00 C ATOM 864 O HIS A 86 5.496 -12.124 4.678 1.00 0.00 O ATOM 865 CB HIS A 86 5.496 -11.666 1.873 1.00 0.00 C ATOM 866 CG HIS A 86 4.471 -10.595 1.659 1.00 0.00 C ATOM 867 ND1 HIS A 86 3.849 -9.931 2.696 1.00 0.00 N ATOM 868 CD2 HIS A 86 3.962 -10.072 0.520 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.000 -9.047 2.202 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.050 -9.112 0.884 1.00 0.00 N ATOM 0 H HIS A 86 7.812 -12.607 1.690 1.00 0.00 H new ATOM 0 HA HIS A 86 6.958 -10.223 2.498 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.893 -11.975 0.906 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.012 -12.538 2.313 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.224 -10.357 -0.488 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.372 -8.384 2.778 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.501 -8.542 0.241 1.00 0.00 H new ATOM 879 N LYS A 87 6.628 -10.202 4.968 1.00 0.00 N ATOM 880 CA LYS A 87 6.271 -10.075 6.375 1.00 0.00 C ATOM 881 C LYS A 87 4.758 -10.001 6.548 1.00 0.00 C ATOM 882 O LYS A 87 4.153 -10.863 7.185 1.00 0.00 O ATOM 883 CB LYS A 87 6.925 -8.830 6.978 1.00 0.00 C ATOM 884 CG LYS A 87 8.414 -8.988 7.234 1.00 0.00 C ATOM 885 CD LYS A 87 9.121 -7.643 7.261 1.00 0.00 C ATOM 886 CE LYS A 87 8.399 -6.652 8.160 1.00 0.00 C ATOM 887 NZ LYS A 87 8.520 -7.017 9.599 1.00 0.00 N ATOM 0 H LYS A 87 7.218 -9.449 4.614 1.00 0.00 H new ATOM 0 HA LYS A 87 6.636 -10.959 6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.768 -7.986 6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.427 -8.587 7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.568 -9.500 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.853 -9.615 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.144 -7.776 7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.181 -7.242 6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.809 -5.654 8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.346 -6.611 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.014 -6.317 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.106 -7.958 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.524 -7.031 9.870 1.00 0.00 H new ATOM 901 N GLY A 88 4.151 -8.967 5.975 1.00 0.00 N ATOM 902 CA GLY A 88 2.712 -8.801 6.076 1.00 0.00 C ATOM 903 C GLY A 88 2.285 -7.352 5.950 1.00 0.00 C ATOM 904 O GLY A 88 1.430 -6.882 6.701 1.00 0.00 O ATOM 0 H GLY A 88 4.630 -8.241 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.226 -9.389 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.370 -9.195 7.033 1.00 0.00 H new ATOM 908 N CYS A 89 2.882 -6.642 4.999 1.00 0.00 N ATOM 909 CA CYS A 89 2.560 -5.237 4.778 1.00 0.00 C ATOM 910 C CYS A 89 3.168 -4.739 3.470 1.00 0.00 C ATOM 911 O CYS A 89 4.060 -5.372 2.908 1.00 0.00 O ATOM 912 CB CYS A 89 3.065 -4.387 5.945 1.00 0.00 C ATOM 913 SG CYS A 89 4.542 -5.046 6.753 1.00 0.00 S ATOM 0 H CYS A 89 3.591 -7.016 4.369 1.00 0.00 H new ATOM 0 HA CYS A 89 1.476 -5.144 4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.280 -3.382 5.582 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.270 -4.295 6.685 1.00 0.00 H new ATOM 0 HG CYS A 89 4.893 -4.257 7.725 1.00 0.00 H new ATOM 919 N ALA A 90 2.676 -3.601 2.991 1.00 0.00 N ATOM 920 CA ALA A 90 3.171 -3.017 1.750 1.00 0.00 C ATOM 921 C ALA A 90 2.861 -1.526 1.683 1.00 0.00 C ATOM 922 O ALA A 90 1.845 -1.068 2.207 1.00 0.00 O ATOM 923 CB ALA A 90 2.570 -3.738 0.553 1.00 0.00 C ATOM 0 H ALA A 90 1.935 -3.065 3.443 1.00 0.00 H new ATOM 0 HA ALA A 90 4.254 -3.137 1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.948 -3.292 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.847 -4.792 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.484 -3.647 0.581 1.00 0.00 H new ATOM 929 N PHE A 91 3.743 -0.772 1.036 1.00 0.00 N ATOM 930 CA PHE A 91 3.565 0.669 0.902 1.00 0.00 C ATOM 931 C PHE A 91 2.959 1.018 -0.455 1.00 0.00 C ATOM 932 O PHE A 91 3.570 0.787 -1.499 1.00 0.00 O ATOM 933 CB PHE A 91 4.904 1.389 1.074 1.00 0.00 C ATOM 934 CG PHE A 91 5.329 1.528 2.508 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.479 2.094 3.445 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.578 1.093 2.920 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.868 2.224 4.764 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.973 1.220 4.238 1.00 0.00 C ATOM 939 CZ PHE A 91 6.116 1.785 5.162 1.00 0.00 C ATOM 0 H PHE A 91 4.589 -1.135 0.596 1.00 0.00 H new ATOM 0 HA PHE A 91 2.880 0.999 1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.673 0.845 0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.835 2.380 0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.501 2.437 3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.252 0.649 2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.197 2.669 5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.950 0.878 4.545 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.421 1.883 6.193 1.00 0.00 H new ATOM 949 N LEU A 92 1.753 1.576 -0.431 1.00 0.00 N ATOM 950 CA LEU A 92 1.062 1.957 -1.658 1.00 0.00 C ATOM 951 C LEU A 92 1.140 3.464 -1.881 1.00 0.00 C ATOM 952 O LEU A 92 0.902 4.252 -0.965 1.00 0.00 O ATOM 953 CB LEU A 92 -0.401 1.514 -1.601 1.00 0.00 C ATOM 954 CG LEU A 92 -1.338 2.159 -2.623 1.00 0.00 C ATOM 955 CD1 LEU A 92 -0.959 1.740 -4.034 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.785 1.793 -2.325 1.00 0.00 C ATOM 0 H LEU A 92 1.234 1.774 0.424 1.00 0.00 H new ATOM 0 HA LEU A 92 1.554 1.458 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.438 0.433 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.785 1.724 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.236 3.242 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.637 2.209 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.063 2.054 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.031 0.656 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.438 2.261 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.903 0.710 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.052 2.146 -1.329 1.00 0.00 H new ATOM 968 N THR A 93 1.475 3.859 -3.106 1.00 0.00 N ATOM 969 CA THR A 93 1.583 5.271 -3.450 1.00 0.00 C ATOM 970 C THR A 93 0.664 5.625 -4.614 1.00 0.00 C ATOM 971 O THR A 93 0.812 5.099 -5.717 1.00 0.00 O ATOM 972 CB THR A 93 3.030 5.649 -3.820 1.00 0.00 C ATOM 973 OG1 THR A 93 3.928 5.210 -2.795 1.00 0.00 O ATOM 974 CG2 THR A 93 3.165 7.152 -4.010 1.00 0.00 C ATOM 0 H THR A 93 1.676 3.221 -3.876 1.00 0.00 H new ATOM 0 HA THR A 93 1.281 5.836 -2.568 1.00 0.00 H new ATOM 0 HB THR A 93 3.282 5.156 -4.759 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.846 5.452 -3.038 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.195 7.395 -4.271 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.502 7.479 -4.811 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.895 7.661 -3.085 1.00 0.00 H new ATOM 982 N TYR A 94 -0.285 6.520 -4.361 1.00 0.00 N ATOM 983 CA TYR A 94 -1.229 6.943 -5.387 1.00 0.00 C ATOM 984 C TYR A 94 -0.741 8.206 -6.090 1.00 0.00 C ATOM 985 O TYR A 94 -0.052 9.035 -5.493 1.00 0.00 O ATOM 986 CB TYR A 94 -2.608 7.189 -4.771 1.00 0.00 C ATOM 987 CG TYR A 94 -3.477 5.954 -4.720 1.00 0.00 C ATOM 988 CD1 TYR A 94 -3.657 5.160 -5.846 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.120 5.581 -3.546 1.00 0.00 C ATOM 990 CE1 TYR A 94 -4.452 4.030 -5.804 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.915 4.452 -3.494 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.078 3.680 -4.625 1.00 0.00 C ATOM 993 OH TYR A 94 -5.870 2.556 -4.579 1.00 0.00 O ATOM 0 H TYR A 94 -0.420 6.966 -3.454 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.305 6.145 -6.125 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.481 7.576 -3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.121 7.960 -5.345 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.167 5.430 -6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.996 6.184 -2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.582 3.425 -6.689 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.406 4.176 -2.573 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.130 2.301 -5.489 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.102 8.346 -7.360 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.701 9.507 -8.146 1.00 0.00 C ATOM 1005 C CYS A 95 -1.304 10.786 -7.573 1.00 0.00 C ATOM 1006 O CYS A 95 -0.644 11.822 -7.511 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.129 9.335 -9.604 1.00 0.00 C ATOM 1008 SG CYS A 95 -0.409 7.891 -10.420 1.00 0.00 S ATOM 0 H CYS A 95 -1.672 7.670 -7.868 1.00 0.00 H new ATOM 0 HA CYS A 95 0.385 9.587 -8.102 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.215 9.258 -9.646 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.851 10.230 -10.161 1.00 0.00 H new ATOM 0 HG CYS A 95 -1.069 6.825 -10.077 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.564 10.704 -7.158 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.257 11.855 -6.590 1.00 0.00 C ATOM 1016 C ALA A 96 -3.495 11.669 -5.095 1.00 0.00 C ATOM 1017 O ALA A 96 -3.153 10.632 -4.527 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.576 12.086 -7.312 1.00 0.00 C ATOM 0 H ALA A 96 -3.125 9.854 -7.204 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.624 12.732 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.082 12.948 -6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.385 12.272 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.207 11.204 -7.208 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.082 12.680 -4.464 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.364 12.629 -3.035 1.00 0.00 C ATOM 1026 C ARG A 97 -5.742 12.028 -2.774 1.00 0.00 C ATOM 1027 O ARG A 97 -5.919 11.232 -1.851 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.284 14.030 -2.427 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.254 15.021 -3.050 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.072 16.416 -2.473 1.00 0.00 C ATOM 1031 NE ARG A 97 -5.546 17.452 -3.386 1.00 0.00 N ATOM 1032 CZ ARG A 97 -6.827 17.770 -3.536 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -7.757 17.135 -2.836 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -7.181 18.724 -4.387 1.00 0.00 N ATOM 0 H ARG A 97 -4.372 13.545 -4.920 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.614 11.993 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.482 13.964 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.268 14.409 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.103 15.050 -4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.277 14.686 -2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.611 16.491 -1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.018 16.582 -2.252 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.855 17.960 -3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.489 16.401 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.740 17.381 -2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.469 19.215 -4.928 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.165 18.967 -4.501 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.715 12.414 -3.592 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.077 11.913 -3.450 1.00 0.00 C ATOM 1050 C ASP A 98 -8.122 10.400 -3.638 1.00 0.00 C ATOM 1051 O ASP A 98 -8.638 9.674 -2.788 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.001 12.593 -4.462 1.00 0.00 C ATOM 1053 CG ASP A 98 -10.342 11.895 -4.582 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -10.917 11.530 -3.535 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -10.816 11.714 -5.723 1.00 0.00 O ATOM 0 H ASP A 98 -6.586 13.072 -4.360 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.420 12.146 -2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.160 13.630 -4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.516 12.611 -5.438 1.00 0.00 H new ATOM 1060 N SER A 99 -7.579 9.931 -4.756 1.00 0.00 N ATOM 1061 CA SER A 99 -7.561 8.504 -5.058 1.00 0.00 C ATOM 1062 C SER A 99 -7.247 7.689 -3.807 1.00 0.00 C ATOM 1063 O SER A 99 -7.769 6.589 -3.623 1.00 0.00 O ATOM 1064 CB SER A 99 -6.531 8.205 -6.148 1.00 0.00 C ATOM 1065 OG SER A 99 -6.972 8.676 -7.410 1.00 0.00 O ATOM 0 H SER A 99 -7.145 10.518 -5.468 1.00 0.00 H new ATOM 0 HA SER A 99 -8.550 8.220 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.581 8.674 -5.893 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.353 7.131 -6.199 1.00 0.00 H new ATOM 0 HG SER A 99 -6.295 8.474 -8.089 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.391 8.236 -2.951 1.00 0.00 N ATOM 1072 CA ALA A 100 -6.008 7.562 -1.717 1.00 0.00 C ATOM 1073 C ALA A 100 -7.116 7.655 -0.674 1.00 0.00 C ATOM 1074 O ALA A 100 -7.576 6.640 -0.149 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.716 8.152 -1.172 1.00 0.00 C ATOM 0 H ALA A 100 -5.949 9.145 -3.090 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.846 6.508 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.442 7.639 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.921 8.027 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.858 9.213 -0.968 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.541 8.878 -0.376 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.595 9.104 0.606 1.00 0.00 C ATOM 1083 C LEU A 101 -9.760 8.144 0.385 1.00 0.00 C ATOM 1084 O LEU A 101 -10.263 7.534 1.328 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.090 10.550 0.529 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.018 11.633 0.657 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.530 12.957 0.113 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.583 11.783 2.108 1.00 0.00 C ATOM 0 H LEU A 101 -7.171 9.729 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.179 8.921 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.605 10.687 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.828 10.703 1.316 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.152 11.332 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.754 13.716 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.792 12.841 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.412 13.265 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.820 12.558 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.442 12.061 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.175 10.837 2.465 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.183 8.013 -0.868 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.286 7.125 -1.215 1.00 0.00 C ATOM 1102 C LYS A 102 -10.930 5.673 -0.913 1.00 0.00 C ATOM 1103 O LYS A 102 -11.479 5.068 0.008 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.643 7.276 -2.695 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.995 8.699 -3.094 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.295 8.804 -4.579 1.00 0.00 C ATOM 1107 CE LYS A 102 -13.654 8.210 -4.917 1.00 0.00 C ATOM 1108 NZ LYS A 102 -13.892 8.170 -6.386 1.00 0.00 N ATOM 0 H LYS A 102 -9.778 8.511 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.148 7.403 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.802 6.936 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.486 6.624 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.860 9.034 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.169 9.364 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.268 9.850 -4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.520 8.287 -5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.720 7.201 -4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.437 8.798 -4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.828 7.759 -6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.854 9.136 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.160 7.588 -6.841 1.00 0.00 H new ATOM 1122 N ALA A 103 -10.008 5.119 -1.694 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.577 3.739 -1.507 1.00 0.00 C ATOM 1124 C ALA A 103 -9.263 3.456 -0.042 1.00 0.00 C ATOM 1125 O ALA A 103 -9.370 2.318 0.416 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.363 3.443 -2.376 1.00 0.00 C ATOM 0 H ALA A 103 -9.545 5.605 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.395 3.085 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.052 2.409 -2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.620 3.597 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.547 4.111 -2.101 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.874 4.497 0.687 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.543 4.358 2.101 1.00 0.00 C ATOM 1134 C GLN A 104 -9.797 4.107 2.931 1.00 0.00 C ATOM 1135 O GLN A 104 -9.861 3.151 3.704 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.826 5.612 2.604 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.448 5.547 4.075 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.319 6.920 4.705 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -8.003 7.235 5.679 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.440 7.746 4.150 1.00 0.00 N ATOM 0 H GLN A 104 -8.780 5.445 0.323 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.879 3.500 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.924 5.767 2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.468 6.478 2.440 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -8.201 4.973 4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.504 5.013 4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.894 7.443 3.343 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.311 8.684 4.530 1.00 0.00 H new ATOM 1149 N SER A 105 -10.793 4.973 2.767 1.00 0.00 N ATOM 1150 CA SER A 105 -12.044 4.847 3.505 1.00 0.00 C ATOM 1151 C SER A 105 -12.946 3.794 2.870 1.00 0.00 C ATOM 1152 O SER A 105 -13.999 3.456 3.410 1.00 0.00 O ATOM 1153 CB SER A 105 -12.769 6.194 3.554 1.00 0.00 C ATOM 1154 OG SER A 105 -13.960 6.105 4.317 1.00 0.00 O ATOM 0 H SER A 105 -10.757 5.769 2.130 1.00 0.00 H new ATOM 0 HA SER A 105 -11.808 4.532 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.112 6.949 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.006 6.520 2.541 1.00 0.00 H new ATOM 0 HG SER A 105 -14.251 5.170 4.361 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.525 3.279 1.720 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.293 2.262 1.011 1.00 0.00 C ATOM 1162 C ALA A 106 -12.755 0.865 1.303 1.00 0.00 C ATOM 1163 O ALA A 106 -13.485 -0.123 1.214 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.274 2.535 -0.486 1.00 0.00 C ATOM 0 H ALA A 106 -11.656 3.549 1.259 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.323 2.307 1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.851 1.768 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.712 3.513 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.245 2.519 -0.846 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.476 0.790 1.652 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.840 -0.487 1.957 1.00 0.00 C ATOM 1172 C LEU A 107 -10.644 -0.653 3.460 1.00 0.00 C ATOM 1173 O LEU A 107 -10.945 -1.705 4.024 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.492 -0.592 1.241 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.543 -0.610 -0.287 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.148 -0.445 -0.870 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.182 -1.899 -0.784 1.00 0.00 C ATOM 0 H LEU A 107 -10.859 1.598 1.731 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.495 -1.284 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.871 0.247 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.994 -1.501 1.579 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.155 0.228 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.204 -0.460 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.727 0.505 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.512 -1.261 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.210 -1.895 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.597 -2.752 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.197 -1.975 -0.395 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.140 0.394 4.105 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.906 0.366 5.545 1.00 0.00 C ATOM 1191 C HIS A 108 -11.108 -0.223 6.278 1.00 0.00 C ATOM 1192 O HIS A 108 -12.166 0.401 6.355 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.618 1.775 6.064 1.00 0.00 C ATOM 1194 CG HIS A 108 -9.120 1.803 7.476 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.808 1.550 7.817 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.766 2.057 8.638 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.669 1.646 9.127 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.843 1.953 9.649 1.00 0.00 N ATOM 0 H HIS A 108 -9.886 1.273 3.654 1.00 0.00 H new ATOM 0 HA HIS A 108 -9.039 -0.267 5.736 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.879 2.247 5.417 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.528 2.371 5.996 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.813 2.297 8.749 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.752 1.499 9.678 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -9.033 2.090 10.642 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.936 -1.427 6.814 1.00 0.00 N ATOM 1207 CA GLU A 109 -12.007 -2.100 7.539 1.00 0.00 C ATOM 1208 C GLU A 109 -13.239 -2.270 6.656 1.00 0.00 C ATOM 1209 O GLU A 109 -14.370 -2.113 7.114 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.374 -1.312 8.799 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.198 -1.074 9.732 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.629 -0.856 11.169 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -12.092 -1.828 11.802 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.504 0.285 11.660 1.00 0.00 O ATOM 0 H GLU A 109 -10.066 -1.956 6.760 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.649 -3.088 7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.795 -0.350 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.153 -1.850 9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.523 -1.928 9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.637 -0.205 9.389 1.00 0.00 H new ATOM 1221 N GLN A 110 -13.010 -2.591 5.386 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.101 -2.780 4.438 1.00 0.00 C ATOM 1223 C GLN A 110 -13.934 -4.087 3.670 1.00 0.00 C ATOM 1224 O GLN A 110 -14.891 -4.841 3.489 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.166 -1.605 3.460 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.567 -1.317 2.948 1.00 0.00 C ATOM 1227 CD GLN A 110 -16.323 -0.343 3.830 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -17.465 -0.594 4.216 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -15.687 0.776 4.156 1.00 0.00 N ATOM 0 H GLN A 110 -12.079 -2.725 4.991 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.033 -2.826 5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.777 -0.713 3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.514 -1.813 2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.504 -0.913 1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.125 -2.251 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.741 0.943 3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.145 1.469 4.749 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.712 -4.351 3.220 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.418 -5.567 2.472 1.00 0.00 C ATOM 1240 C LYS A 111 -11.842 -6.643 3.387 1.00 0.00 C ATOM 1241 O LYS A 111 -11.291 -6.342 4.447 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.434 -5.268 1.338 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.619 -6.159 0.122 1.00 0.00 C ATOM 1244 CD LYS A 111 -12.945 -5.892 -0.569 1.00 0.00 C ATOM 1245 CE LYS A 111 -12.856 -6.149 -2.066 1.00 0.00 C ATOM 1246 NZ LYS A 111 -14.203 -6.218 -2.698 1.00 0.00 N ATOM 0 H LYS A 111 -11.909 -3.738 3.361 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.351 -5.937 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.546 -4.227 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.416 -5.383 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.802 -5.992 -0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.570 -7.205 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.717 -6.528 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.246 -4.859 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.274 -5.356 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.323 -7.083 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.099 -6.394 -3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -14.750 -6.991 -2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.702 -5.317 -2.551 1.00 0.00 H new ATOM 1260 N THR A 112 -11.971 -7.899 2.971 1.00 0.00 N ATOM 1261 CA THR A 112 -11.464 -9.020 3.753 1.00 0.00 C ATOM 1262 C THR A 112 -10.715 -10.012 2.871 1.00 0.00 C ATOM 1263 O THR A 112 -11.319 -10.899 2.266 1.00 0.00 O ATOM 1264 CB THR A 112 -12.603 -9.756 4.483 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.244 -8.873 5.409 1.00 0.00 O ATOM 1266 CG2 THR A 112 -12.072 -10.976 5.222 1.00 0.00 C ATOM 0 H THR A 112 -12.423 -8.166 2.096 1.00 0.00 H new ATOM 0 HA THR A 112 -10.778 -8.606 4.491 1.00 0.00 H new ATOM 0 HB THR A 112 -13.327 -10.088 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.968 -9.349 5.867 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.894 -11.480 5.730 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.611 -11.661 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.330 -10.662 5.956 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.398 -9.857 2.801 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.566 -10.741 1.992 1.00 0.00 C ATOM 1276 C LEU A 113 -8.777 -12.200 2.386 1.00 0.00 C ATOM 1277 O LEU A 113 -9.202 -12.512 3.499 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.090 -10.368 2.147 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.624 -9.138 1.368 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.238 -8.710 1.825 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.630 -9.420 -0.128 1.00 0.00 C ATOM 0 H LEU A 113 -8.883 -9.128 3.294 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.858 -10.620 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.887 -10.202 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.486 -11.220 1.837 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.318 -8.322 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.923 -7.833 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.264 -8.467 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.532 -9.523 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.296 -8.533 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.959 -10.251 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.640 -9.678 -0.446 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.472 -13.115 1.454 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.618 -14.556 1.682 1.00 0.00 C ATOM 1295 C PRO A 114 -7.598 -15.090 2.682 1.00 0.00 C ATOM 1296 O PRO A 114 -6.391 -14.956 2.485 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.376 -15.160 0.297 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.530 -14.158 -0.411 1.00 0.00 C ATOM 1299 CD PRO A 114 -7.960 -12.814 0.107 1.00 0.00 C ATOM 0 HA PRO A 114 -9.590 -14.806 2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.872 -16.124 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.315 -15.329 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.472 -14.332 -0.214 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.669 -14.223 -1.490 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.127 -12.112 0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.728 -12.367 -0.524 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.092 -15.698 3.757 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.210 -16.244 4.772 1.00 0.00 C ATOM 1309 C GLY A 115 -7.054 -15.319 5.963 1.00 0.00 C ATOM 1310 O GLY A 115 -6.435 -15.684 6.962 1.00 0.00 O ATOM 0 H GLY A 115 -9.087 -15.822 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.600 -17.204 5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.231 -16.435 4.333 1.00 0.00 H new ATOM 1314 N MET A 116 -7.614 -14.119 5.855 1.00 0.00 N ATOM 1315 CA MET A 116 -7.533 -13.139 6.933 1.00 0.00 C ATOM 1316 C MET A 116 -8.892 -12.950 7.599 1.00 0.00 C ATOM 1317 O MET A 116 -9.797 -12.349 7.023 1.00 0.00 O ATOM 1318 CB MET A 116 -7.024 -11.800 6.396 1.00 0.00 C ATOM 1319 CG MET A 116 -5.526 -11.776 6.143 1.00 0.00 C ATOM 1320 SD MET A 116 -4.564 -11.984 7.654 1.00 0.00 S ATOM 1321 CE MET A 116 -3.411 -10.620 7.512 1.00 0.00 C ATOM 0 H MET A 116 -8.128 -13.801 5.033 1.00 0.00 H new ATOM 0 HA MET A 116 -6.832 -13.513 7.679 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.545 -11.569 5.467 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.277 -11.013 7.107 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.267 -12.568 5.440 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.256 -10.831 5.672 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.746 -10.614 8.376 1.00 0.00 H new ATOM 0 HE2 MET A 116 -2.823 -10.734 6.602 1.00 0.00 H new ATOM 0 HE3 MET A 116 -3.962 -9.680 7.472 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.027 -13.469 8.816 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.276 -13.357 9.560 1.00 0.00 C ATOM 1333 C ASN A 117 -10.728 -11.903 9.649 1.00 0.00 C ATOM 1334 O ASN A 117 -11.924 -11.612 9.638 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.110 -13.939 10.965 1.00 0.00 C ATOM 1336 CG ASN A 117 -9.717 -15.403 10.942 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -8.637 -15.775 11.401 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -10.595 -16.243 10.406 1.00 0.00 N ATOM 0 H ASN A 117 -8.287 -13.971 9.307 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.040 -13.924 9.027 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.352 -13.371 11.503 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -11.044 -13.825 11.515 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -10.386 -17.240 10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -11.478 -15.891 10.037 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.763 -10.993 9.737 1.00 0.00 N ATOM 1346 CA ARG A 118 -10.062 -9.569 9.828 1.00 0.00 C ATOM 1347 C ARG A 118 -9.929 -8.897 8.465 1.00 0.00 C ATOM 1348 O ARG A 118 -9.297 -9.419 7.547 1.00 0.00 O ATOM 1349 CB ARG A 118 -9.128 -8.894 10.835 1.00 0.00 C ATOM 1350 CG ARG A 118 -9.664 -8.893 12.257 1.00 0.00 C ATOM 1351 CD ARG A 118 -9.251 -10.148 13.010 1.00 0.00 C ATOM 1352 NE ARG A 118 -7.815 -10.177 13.278 1.00 0.00 N ATOM 1353 CZ ARG A 118 -7.187 -11.226 13.798 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -7.863 -12.324 14.104 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -5.878 -11.176 14.012 1.00 0.00 N ATOM 0 H ARG A 118 -8.768 -11.217 9.747 1.00 0.00 H new ATOM 0 HA ARG A 118 -11.092 -9.460 10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.163 -9.401 10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.952 -7.865 10.521 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.296 -8.013 12.785 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -10.751 -8.821 12.237 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -9.797 -10.202 13.952 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.529 -11.027 12.429 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.265 -9.348 13.054 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.869 -12.366 13.940 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -7.377 -13.127 14.503 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.355 -10.333 13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.395 -11.981 14.411 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.539 -7.710 8.328 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.503 -6.941 7.081 1.00 0.00 C ATOM 1371 C PRO A 119 -9.118 -6.373 6.789 1.00 0.00 C ATOM 1372 O PRO A 119 -8.131 -6.771 7.409 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.503 -5.810 7.333 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.532 -5.653 8.814 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.310 -7.028 9.381 1.00 0.00 C ATOM 0 HA PRO A 119 -10.745 -7.557 6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.190 -4.888 6.843 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.489 -6.059 6.942 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.757 -4.963 9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.487 -5.244 9.144 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.760 -6.991 10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.253 -7.537 9.582 1.00 0.00 H new ATOM 1383 N ILE A 120 -9.053 -5.441 5.845 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.789 -4.818 5.473 1.00 0.00 C ATOM 1385 C ILE A 120 -7.666 -3.422 6.075 1.00 0.00 C ATOM 1386 O ILE A 120 -8.597 -2.621 6.002 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.637 -4.721 3.944 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.450 -3.824 3.583 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.918 -4.190 3.317 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.318 -3.565 2.099 1.00 0.00 C ATOM 0 H ILE A 120 -9.861 -5.100 5.324 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.996 -5.453 5.869 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.448 -5.719 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.554 -2.871 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.532 -4.286 3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.795 -4.127 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.743 -4.863 3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.135 -3.199 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.456 -2.923 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.182 -4.511 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.220 -3.074 1.734 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.511 -3.139 6.668 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.267 -1.838 7.281 1.00 0.00 C ATOM 1404 C GLN A 121 -5.344 -0.991 6.411 1.00 0.00 C ATOM 1405 O GLN A 121 -4.206 -1.372 6.140 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.656 -2.014 8.672 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.551 -2.772 9.639 1.00 0.00 C ATOM 1408 CD GLN A 121 -5.891 -3.010 10.983 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -5.563 -2.066 11.702 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -5.691 -4.276 11.329 1.00 0.00 N ATOM 0 H GLN A 121 -5.730 -3.792 6.737 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.223 -1.322 7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.707 -2.542 8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.434 -1.032 9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.475 -2.213 9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.825 -3.731 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.979 -5.028 10.702 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.250 -4.497 12.222 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.844 0.161 5.975 1.00 0.00 N ATOM 1420 CA VAL A 122 -5.065 1.064 5.136 1.00 0.00 C ATOM 1421 C VAL A 122 -5.128 2.494 5.661 1.00 0.00 C ATOM 1422 O VAL A 122 -6.196 3.104 5.706 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.559 1.042 3.678 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.641 1.867 2.790 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.659 -0.389 3.171 1.00 0.00 C ATOM 0 H VAL A 122 -6.785 0.491 6.189 1.00 0.00 H new ATOM 0 HA VAL A 122 -4.033 0.714 5.167 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.554 1.486 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -5.006 1.839 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.625 2.899 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.632 1.455 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -6.010 -0.386 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.678 -0.862 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.361 -0.946 3.791 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.976 3.024 6.057 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.898 4.384 6.577 1.00 0.00 C ATOM 1437 C LYS A 123 -2.812 5.180 5.860 1.00 0.00 C ATOM 1438 O LYS A 123 -1.842 4.626 5.343 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.618 4.361 8.082 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.528 3.382 8.483 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.757 2.834 9.881 1.00 0.00 C ATOM 1442 CE LYS A 123 -2.543 3.904 10.941 1.00 0.00 C ATOM 1443 NZ LYS A 123 -3.560 4.988 10.849 1.00 0.00 N ATOM 0 H LYS A 123 -3.083 2.532 6.028 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.857 4.870 6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.332 5.362 8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.537 4.105 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.497 2.559 7.769 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.558 3.878 8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -3.771 2.442 9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.079 2.000 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.586 3.449 11.930 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.546 4.331 10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -3.801 5.320 11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -3.175 5.779 10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -4.415 4.623 10.383 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.976 6.511 5.827 1.00 0.00 N ATOM 1458 CA PRO A 124 -2.019 7.411 5.178 1.00 0.00 C ATOM 1459 C PRO A 124 -0.697 7.494 5.933 1.00 0.00 C ATOM 1460 O PRO A 124 -0.514 8.358 6.790 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.733 8.764 5.200 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.675 8.677 6.351 1.00 0.00 C ATOM 1463 CD PRO A 124 -4.109 7.239 6.423 1.00 0.00 C ATOM 0 HA PRO A 124 -1.754 7.070 4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -2.025 9.583 5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.265 8.946 4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -3.189 8.985 7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.531 9.336 6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.292 6.925 7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -5.032 7.069 5.869 1.00 0.00 H new ATOM 1471 N ALA A 125 0.222 6.590 5.610 1.00 0.00 N ATOM 1472 CA ALA A 125 1.528 6.563 6.256 1.00 0.00 C ATOM 1473 C ALA A 125 1.997 7.972 6.605 1.00 0.00 C ATOM 1474 O ALA A 125 2.375 8.246 7.743 1.00 0.00 O ATOM 1475 CB ALA A 125 2.546 5.873 5.361 1.00 0.00 C ATOM 0 H ALA A 125 0.086 5.866 4.904 1.00 0.00 H new ATOM 0 HA ALA A 125 1.435 5.999 7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.517 5.860 5.857 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.225 4.850 5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.627 6.414 4.418 1.00 0.00 H new