USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 769 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 75 THR OG1 : rot -170:sc= -0.0999 USER MOD Set 1.2: A 77 HIS : no HD1:sc= -0.242 X(o=-0.34,f=0.082) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 137:sc= 0.903 (180deg=0.213) USER MOD Set 2.2: A 35 THR OG1 : rot 65:sc= -0.465 USER MOD Set 2.3: A 95 TYR OH : rot 165:sc= 0.48 USER MOD Single : A 12 ASN : amide:sc= -2.3! C(o=-2.3!,f=-7.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -161:sc= -3.06 (180deg=-3.85!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=-0.057) USER MOD Single : A 28 GLN : amide:sc= -0.165 K(o=-0.16,f=-0.75) USER MOD Single : A 29 SER OG : rot -53:sc= 0.0331 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 146:sc= -0.704 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -167:sc= 0.0218 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -50:sc= 0.837 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.066) USER MOD Single : A 67 HIS : no HD1:sc= -16.8! C(o=-17!,f=-17!) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.0642 USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= -0.0121 (180deg=-0.117) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0002) USER MOD Single : A 83 LYS NZ :NH3+ 148:sc= -0.46 (180deg=-1.68!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 155:sc= -0.215 (180deg=-0.988) USER MOD Single : A 91 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.1) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot -100:sc= -3.16! USER MOD Single : A 100 LYS NZ :NH3+ 153:sc= -0.14 (180deg=-0.677) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.046 K(o=0.046,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 137 N ASN A 12 6.946 -10.635 -7.476 1.00 0.00 N ATOM 138 CA ASN A 12 7.108 -9.582 -8.472 1.00 0.00 C ATOM 139 C ASN A 12 8.124 -8.544 -8.005 1.00 0.00 C ATOM 140 O ASN A 12 9.145 -8.323 -8.656 1.00 0.00 O ATOM 141 CB ASN A 12 5.765 -8.906 -8.753 1.00 0.00 C ATOM 142 CG ASN A 12 5.911 -7.662 -9.607 1.00 0.00 C ATOM 143 OD1 ASN A 12 6.794 -6.836 -9.375 1.00 0.00 O ATOM 144 ND2 ASN A 12 5.043 -7.522 -10.603 1.00 0.00 N ATOM 0 HA ASN A 12 7.477 -10.039 -9.391 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.104 -9.612 -9.255 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.290 -8.641 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.093 -6.705 -11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.327 -8.232 -10.759 1.00 0.00 H new ATOM 151 N GLY A 13 7.838 -7.911 -6.872 1.00 0.00 N ATOM 152 CA GLY A 13 8.737 -6.904 -6.337 1.00 0.00 C ATOM 153 C GLY A 13 8.399 -6.526 -4.908 1.00 0.00 C ATOM 154 O GLY A 13 8.752 -5.441 -4.446 1.00 0.00 O ATOM 0 H GLY A 13 7.000 -8.077 -6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.761 -7.276 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.695 -6.014 -6.965 1.00 0.00 H new ATOM 158 N PHE A 14 7.713 -7.422 -4.207 1.00 0.00 N ATOM 159 CA PHE A 14 7.325 -7.176 -2.823 1.00 0.00 C ATOM 160 C PHE A 14 8.172 -8.008 -1.865 1.00 0.00 C ATOM 161 O PHE A 14 8.721 -9.043 -2.241 1.00 0.00 O ATOM 162 CB PHE A 14 5.843 -7.497 -2.622 1.00 0.00 C ATOM 163 CG PHE A 14 4.922 -6.442 -3.163 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.556 -6.442 -4.499 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.422 -5.449 -2.336 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.708 -5.473 -5.001 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.573 -4.477 -2.831 1.00 0.00 C ATOM 168 CZ PHE A 14 3.217 -4.488 -4.166 1.00 0.00 C ATOM 0 H PHE A 14 7.414 -8.325 -4.574 1.00 0.00 H new ATOM 0 HA PHE A 14 7.494 -6.121 -2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.617 -8.448 -3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.649 -7.626 -1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.938 -7.209 -5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.699 -5.434 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.430 -5.486 -6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.188 -3.710 -2.175 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.556 -3.728 -4.556 1.00 0.00 H new ATOM 178 N LYS A 15 8.275 -7.546 -0.623 1.00 0.00 N ATOM 179 CA LYS A 15 9.054 -8.246 0.392 1.00 0.00 C ATOM 180 C LYS A 15 8.419 -8.089 1.770 1.00 0.00 C ATOM 181 O LYS A 15 7.807 -7.063 2.069 1.00 0.00 O ATOM 182 CB LYS A 15 10.490 -7.716 0.417 1.00 0.00 C ATOM 183 CG LYS A 15 11.084 -7.502 -0.964 1.00 0.00 C ATOM 184 CD LYS A 15 12.362 -6.683 -0.901 1.00 0.00 C ATOM 185 CE LYS A 15 13.412 -7.356 -0.029 1.00 0.00 C ATOM 186 NZ LYS A 15 14.795 -7.036 -0.479 1.00 0.00 N ATOM 0 H LYS A 15 7.829 -6.690 -0.295 1.00 0.00 H new ATOM 0 HA LYS A 15 9.068 -9.306 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.511 -6.772 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.117 -8.416 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.292 -8.468 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.357 -6.995 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.757 -6.545 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.141 -5.691 -0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.284 -7.037 1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.264 -8.436 -0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.481 -7.513 0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.926 -7.363 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.945 -6.008 -0.435 1.00 0.00 H new ATOM 200 N VAL A 16 8.568 -9.112 2.605 1.00 0.00 N ATOM 201 CA VAL A 16 8.011 -9.087 3.952 1.00 0.00 C ATOM 202 C VAL A 16 8.547 -7.901 4.746 1.00 0.00 C ATOM 203 O VAL A 16 9.756 -7.745 4.910 1.00 0.00 O ATOM 204 CB VAL A 16 8.328 -10.387 4.715 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.858 -10.287 6.158 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.692 -11.581 4.020 1.00 0.00 C ATOM 0 H VAL A 16 9.070 -9.969 2.372 1.00 0.00 H new ATOM 0 HA VAL A 16 6.930 -8.991 3.846 1.00 0.00 H new ATOM 0 HB VAL A 16 9.408 -10.531 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.090 -11.214 6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.365 -9.456 6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.781 -10.118 6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.926 -12.491 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.611 -11.447 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.082 -11.662 3.006 1.00 0.00 H new ATOM 216 N GLY A 17 7.637 -7.066 5.239 1.00 0.00 N ATOM 217 CA GLY A 17 8.038 -5.904 6.011 1.00 0.00 C ATOM 218 C GLY A 17 7.581 -4.603 5.380 1.00 0.00 C ATOM 219 O GLY A 17 7.103 -3.705 6.072 1.00 0.00 O ATOM 0 H GLY A 17 6.630 -7.173 5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.626 -5.980 7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.123 -5.895 6.110 1.00 0.00 H new ATOM 223 N MET A 18 7.730 -4.502 4.064 1.00 0.00 N ATOM 224 CA MET A 18 7.330 -3.300 3.340 1.00 0.00 C ATOM 225 C MET A 18 5.870 -2.959 3.619 1.00 0.00 C ATOM 226 O MET A 18 4.961 -3.663 3.177 1.00 0.00 O ATOM 227 CB MET A 18 7.544 -3.489 1.837 1.00 0.00 C ATOM 228 CG MET A 18 8.990 -3.318 1.403 1.00 0.00 C ATOM 229 SD MET A 18 9.151 -2.987 -0.362 1.00 0.00 S ATOM 230 CE MET A 18 8.948 -4.635 -1.036 1.00 0.00 C ATOM 0 H MET A 18 8.124 -5.237 3.477 1.00 0.00 H new ATOM 0 HA MET A 18 7.950 -2.473 3.686 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.203 -4.484 1.552 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.924 -2.773 1.297 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.439 -2.499 1.965 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.549 -4.220 1.652 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.347 -4.665 -2.050 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.485 -5.351 -0.414 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.889 -4.893 -1.055 1.00 0.00 H new ATOM 240 N LYS A 19 5.650 -1.875 4.356 1.00 0.00 N ATOM 241 CA LYS A 19 4.301 -1.440 4.694 1.00 0.00 C ATOM 242 C LYS A 19 3.661 -0.695 3.527 1.00 0.00 C ATOM 243 O LYS A 19 4.354 -0.071 2.721 1.00 0.00 O ATOM 244 CB LYS A 19 4.327 -0.542 5.933 1.00 0.00 C ATOM 245 CG LYS A 19 4.765 -1.261 7.197 1.00 0.00 C ATOM 246 CD LYS A 19 5.048 -0.284 8.325 1.00 0.00 C ATOM 247 CE LYS A 19 5.796 -0.954 9.468 1.00 0.00 C ATOM 248 NZ LYS A 19 4.989 -2.032 10.104 1.00 0.00 N ATOM 0 H LYS A 19 6.390 -1.282 4.731 1.00 0.00 H new ATOM 0 HA LYS A 19 3.704 -2.326 4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.000 0.296 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.333 -0.124 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.988 -1.960 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.659 -1.849 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.635 0.552 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.109 0.128 8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.730 -1.373 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.058 -0.207 10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.593 -2.860 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.599 -1.688 11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.210 -2.302 9.470 1.00 0.00 H new ATOM 262 N LEU A 20 2.337 -0.761 3.442 1.00 0.00 N ATOM 263 CA LEU A 20 1.604 -0.091 2.374 1.00 0.00 C ATOM 264 C LEU A 20 0.125 0.035 2.724 1.00 0.00 C ATOM 265 O LEU A 20 -0.342 -0.548 3.702 1.00 0.00 O ATOM 266 CB LEU A 20 1.765 -0.858 1.059 1.00 0.00 C ATOM 267 CG LEU A 20 0.940 -2.138 0.924 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.587 -2.393 -0.533 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.695 -3.323 1.507 1.00 0.00 C ATOM 0 H LEU A 20 1.749 -1.272 4.100 1.00 0.00 H new ATOM 0 HA LEU A 20 2.017 0.911 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.501 -0.191 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.818 -1.113 0.937 1.00 0.00 H new ATOM 0 HG LEU A 20 0.014 -2.012 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.000 -3.308 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.006 -1.555 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.502 -2.499 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.093 -4.225 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.637 -3.452 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.897 -3.142 2.563 1.00 0.00 H new ATOM 281 N GLU A 21 -0.606 0.798 1.918 1.00 0.00 N ATOM 282 CA GLU A 21 -2.033 0.999 2.143 1.00 0.00 C ATOM 283 C GLU A 21 -2.858 0.284 1.077 1.00 0.00 C ATOM 284 O GLU A 21 -2.642 0.471 -0.120 1.00 0.00 O ATOM 285 CB GLU A 21 -2.366 2.492 2.145 1.00 0.00 C ATOM 286 CG GLU A 21 -1.726 3.257 3.291 1.00 0.00 C ATOM 287 CD GLU A 21 -1.822 4.760 3.115 1.00 0.00 C ATOM 288 OE1 GLU A 21 -2.952 5.291 3.157 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.769 5.406 2.935 1.00 0.00 O ATOM 0 H GLU A 21 -0.234 1.287 1.104 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.284 0.577 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.041 2.929 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.448 2.614 2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.208 2.973 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.677 2.971 3.373 1.00 0.00 H new ATOM 296 N GLY A 22 -3.804 -0.538 1.521 1.00 0.00 N ATOM 297 CA GLY A 22 -4.647 -1.269 0.594 1.00 0.00 C ATOM 298 C GLY A 22 -6.115 -1.195 0.962 1.00 0.00 C ATOM 299 O GLY A 22 -6.470 -0.703 2.033 1.00 0.00 O ATOM 0 H GLY A 22 -4.001 -0.711 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.507 -0.870 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.334 -2.313 0.569 1.00 0.00 H new ATOM 303 N VAL A 23 -6.973 -1.685 0.072 1.00 0.00 N ATOM 304 CA VAL A 23 -8.411 -1.672 0.309 1.00 0.00 C ATOM 305 C VAL A 23 -8.883 -2.995 0.900 1.00 0.00 C ATOM 306 O VAL A 23 -8.354 -4.057 0.572 1.00 0.00 O ATOM 307 CB VAL A 23 -9.191 -1.395 -0.990 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.654 -1.781 -0.827 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.059 0.067 -1.389 1.00 0.00 C ATOM 0 H VAL A 23 -6.696 -2.096 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.607 -0.870 1.020 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.765 -2.005 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.189 -1.578 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.726 -2.843 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.096 -1.199 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.616 0.245 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.458 0.698 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.008 0.307 -1.549 1.00 0.00 H new ATOM 319 N ASP A 24 -9.882 -2.924 1.773 1.00 0.00 N ATOM 320 CA ASP A 24 -10.427 -4.118 2.410 1.00 0.00 C ATOM 321 C ASP A 24 -11.476 -4.777 1.519 1.00 0.00 C ATOM 322 O ASP A 24 -12.283 -4.111 0.871 1.00 0.00 O ATOM 323 CB ASP A 24 -11.041 -3.763 3.765 1.00 0.00 C ATOM 324 CG ASP A 24 -11.035 -4.935 4.727 1.00 0.00 C ATOM 325 OD1 ASP A 24 -11.959 -5.772 4.648 1.00 0.00 O ATOM 326 OD2 ASP A 24 -10.108 -5.015 5.560 1.00 0.00 O ATOM 0 H ASP A 24 -10.331 -2.053 2.056 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.611 -4.824 2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.489 -2.933 4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.066 -3.422 3.618 1.00 0.00 H new ATOM 331 N PRO A 25 -11.464 -6.118 1.485 1.00 0.00 N ATOM 332 CA PRO A 25 -12.407 -6.897 0.677 1.00 0.00 C ATOM 333 C PRO A 25 -13.831 -6.826 1.218 1.00 0.00 C ATOM 334 O PRO A 25 -14.763 -7.351 0.610 1.00 0.00 O ATOM 335 CB PRO A 25 -11.867 -8.326 0.780 1.00 0.00 C ATOM 336 CG PRO A 25 -11.112 -8.353 2.064 1.00 0.00 C ATOM 337 CD PRO A 25 -10.530 -6.977 2.232 1.00 0.00 C ATOM 0 HA PRO A 25 -12.472 -6.524 -0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.676 -9.056 0.781 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.221 -8.567 -0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.768 -8.603 2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.327 -9.108 2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.473 -6.690 3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.519 -6.916 1.829 1.00 0.00 H new ATOM 345 N GLU A 26 -13.991 -6.173 2.365 1.00 0.00 N ATOM 346 CA GLU A 26 -15.302 -6.035 2.988 1.00 0.00 C ATOM 347 C GLU A 26 -15.974 -4.734 2.557 1.00 0.00 C ATOM 348 O GLU A 26 -17.191 -4.682 2.375 1.00 0.00 O ATOM 349 CB GLU A 26 -15.175 -6.075 4.512 1.00 0.00 C ATOM 350 CG GLU A 26 -14.851 -7.455 5.060 1.00 0.00 C ATOM 351 CD GLU A 26 -15.127 -7.572 6.546 1.00 0.00 C ATOM 352 OE1 GLU A 26 -14.679 -6.688 7.305 1.00 0.00 O ATOM 353 OE2 GLU A 26 -15.791 -8.550 6.951 1.00 0.00 O ATOM 0 H GLU A 26 -13.230 -5.732 2.881 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.921 -6.870 2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.396 -5.378 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.108 -5.727 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.439 -8.201 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.801 -7.680 4.870 1.00 0.00 H new ATOM 360 N HIS A 27 -15.173 -3.686 2.397 1.00 0.00 N ATOM 361 CA HIS A 27 -15.689 -2.384 1.988 1.00 0.00 C ATOM 362 C HIS A 27 -14.676 -1.647 1.117 1.00 0.00 C ATOM 363 O HIS A 27 -13.571 -1.339 1.562 1.00 0.00 O ATOM 364 CB HIS A 27 -16.035 -1.540 3.215 1.00 0.00 C ATOM 365 CG HIS A 27 -17.310 -1.950 3.884 1.00 0.00 C ATOM 366 ND1 HIS A 27 -18.541 -1.882 3.266 1.00 0.00 N ATOM 367 CD2 HIS A 27 -17.542 -2.438 5.126 1.00 0.00 C ATOM 368 CE1 HIS A 27 -19.474 -2.308 4.098 1.00 0.00 C ATOM 369 NE2 HIS A 27 -18.894 -2.652 5.234 1.00 0.00 N ATOM 0 H HIS A 27 -14.164 -3.712 2.544 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.594 -2.547 1.403 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.219 -1.608 3.934 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.111 -0.494 2.917 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -16.801 -2.624 5.890 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.531 -2.365 3.886 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -19.373 -3.017 6.057 1.00 0.00 H new ATOM 378 N GLN A 28 -15.061 -1.369 -0.124 1.00 0.00 N ATOM 379 CA GLN A 28 -14.185 -0.669 -1.056 1.00 0.00 C ATOM 380 C GLN A 28 -14.030 0.796 -0.662 1.00 0.00 C ATOM 381 O GLN A 28 -14.750 1.297 0.201 1.00 0.00 O ATOM 382 CB GLN A 28 -14.735 -0.771 -2.480 1.00 0.00 C ATOM 383 CG GLN A 28 -14.643 -2.169 -3.069 1.00 0.00 C ATOM 384 CD GLN A 28 -13.297 -2.445 -3.709 1.00 0.00 C ATOM 385 OE1 GLN A 28 -12.453 -3.133 -3.135 1.00 0.00 O ATOM 386 NE2 GLN A 28 -13.089 -1.909 -4.906 1.00 0.00 N ATOM 0 H GLN A 28 -15.973 -1.617 -0.507 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.204 -1.142 -1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.778 -0.453 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.190 -0.079 -3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.825 -2.903 -2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.428 -2.298 -3.814 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.816 -1.345 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.202 -2.061 -5.386 1.00 0.00 H new ATOM 395 N SER A 29 -13.084 1.478 -1.300 1.00 0.00 N ATOM 396 CA SER A 29 -12.831 2.885 -1.013 1.00 0.00 C ATOM 397 C SER A 29 -12.378 3.072 0.432 1.00 0.00 C ATOM 398 O SER A 29 -12.592 4.126 1.031 1.00 0.00 O ATOM 399 CB SER A 29 -14.088 3.716 -1.276 1.00 0.00 C ATOM 400 OG SER A 29 -13.762 5.074 -1.512 1.00 0.00 O ATOM 0 H SER A 29 -12.480 1.079 -2.019 1.00 0.00 H new ATOM 0 HA SER A 29 -12.034 3.227 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.621 3.312 -2.137 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.761 3.644 -0.422 1.00 0.00 H new ATOM 0 HG SER A 29 -13.214 5.412 -0.773 1.00 0.00 H new ATOM 406 N VAL A 30 -11.750 2.040 0.987 1.00 0.00 N ATOM 407 CA VAL A 30 -11.265 2.089 2.361 1.00 0.00 C ATOM 408 C VAL A 30 -9.799 1.681 2.442 1.00 0.00 C ATOM 409 O VAL A 30 -9.479 0.498 2.568 1.00 0.00 O ATOM 410 CB VAL A 30 -12.093 1.173 3.282 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.482 1.120 4.673 1.00 0.00 C ATOM 412 CG2 VAL A 30 -13.538 1.645 3.343 1.00 0.00 C ATOM 0 H VAL A 30 -11.565 1.160 0.506 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.371 3.121 2.697 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.081 0.165 2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.081 0.468 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.466 0.731 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.461 2.123 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.109 0.987 3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.572 2.663 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.970 1.625 2.342 1.00 0.00 H new ATOM 422 N TYR A 31 -8.911 2.666 2.368 1.00 0.00 N ATOM 423 CA TYR A 31 -7.477 2.409 2.430 1.00 0.00 C ATOM 424 C TYR A 31 -7.009 2.284 3.877 1.00 0.00 C ATOM 425 O TYR A 31 -7.071 3.243 4.647 1.00 0.00 O ATOM 426 CB TYR A 31 -6.706 3.529 1.728 1.00 0.00 C ATOM 427 CG TYR A 31 -7.161 3.778 0.308 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.213 2.744 -0.618 1.00 0.00 C ATOM 429 CD2 TYR A 31 -7.540 5.049 -0.108 1.00 0.00 C ATOM 430 CE1 TYR A 31 -7.627 2.968 -1.917 1.00 0.00 C ATOM 431 CE2 TYR A 31 -7.957 5.282 -1.404 1.00 0.00 C ATOM 432 CZ TYR A 31 -7.998 4.238 -2.305 1.00 0.00 C ATOM 433 OH TYR A 31 -8.412 4.465 -3.598 1.00 0.00 O ATOM 0 H TYR A 31 -9.159 3.650 2.265 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.280 1.466 1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -6.815 4.449 2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -5.645 3.280 1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.925 1.748 -0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.508 5.869 0.594 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.660 2.153 -2.625 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.249 6.276 -1.710 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.639 5.412 -3.707 1.00 0.00 H new ATOM 443 N CYS A 32 -6.539 1.095 4.238 1.00 0.00 N ATOM 444 CA CYS A 32 -6.059 0.842 5.592 1.00 0.00 C ATOM 445 C CYS A 32 -4.562 0.551 5.593 1.00 0.00 C ATOM 446 O CYS A 32 -3.992 0.169 4.571 1.00 0.00 O ATOM 447 CB CYS A 32 -6.819 -0.331 6.214 1.00 0.00 C ATOM 448 SG CYS A 32 -6.711 -1.866 5.265 1.00 0.00 S ATOM 0 H CYS A 32 -6.480 0.291 3.612 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.237 1.738 6.187 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.433 -0.509 7.218 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.868 -0.055 6.320 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.697 -2.879 6.079 1.00 0.00 H new ATOM 454 N VAL A 33 -3.929 0.737 6.747 1.00 0.00 N ATOM 455 CA VAL A 33 -2.497 0.496 6.881 1.00 0.00 C ATOM 456 C VAL A 33 -2.199 -0.996 6.984 1.00 0.00 C ATOM 457 O VAL A 33 -2.453 -1.621 8.014 1.00 0.00 O ATOM 458 CB VAL A 33 -1.921 1.210 8.118 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.819 0.993 9.327 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.507 0.727 8.401 1.00 0.00 C ATOM 0 H VAL A 33 -4.385 1.054 7.603 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.023 0.898 5.986 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.881 2.280 7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.396 1.505 10.191 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.812 1.392 9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.894 -0.074 9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.115 1.242 9.278 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.520 -0.347 8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.129 0.940 7.542 1.00 0.00 H new ATOM 470 N LEU A 34 -1.658 -1.561 5.910 1.00 0.00 N ATOM 471 CA LEU A 34 -1.323 -2.980 5.879 1.00 0.00 C ATOM 472 C LEU A 34 0.187 -3.182 5.816 1.00 0.00 C ATOM 473 O LEU A 34 0.940 -2.245 5.549 1.00 0.00 O ATOM 474 CB LEU A 34 -1.990 -3.655 4.679 1.00 0.00 C ATOM 475 CG LEU A 34 -3.486 -3.390 4.505 1.00 0.00 C ATOM 476 CD1 LEU A 34 -3.886 -3.526 3.044 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.300 -4.338 5.374 1.00 0.00 C ATOM 0 H LEU A 34 -1.442 -1.058 5.049 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.694 -3.436 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.476 -3.331 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.840 -4.731 4.763 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.694 -2.368 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.954 -3.334 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.328 -2.806 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.663 -4.535 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.362 -4.135 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.087 -5.368 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.034 -4.191 6.421 1.00 0.00 H new ATOM 489 N THR A 35 0.625 -4.413 6.063 1.00 0.00 N ATOM 490 CA THR A 35 2.046 -4.739 6.034 1.00 0.00 C ATOM 491 C THR A 35 2.281 -6.118 5.427 1.00 0.00 C ATOM 492 O THR A 35 1.671 -7.103 5.844 1.00 0.00 O ATOM 493 CB THR A 35 2.660 -4.701 7.446 1.00 0.00 C ATOM 494 OG1 THR A 35 2.390 -3.437 8.063 1.00 0.00 O ATOM 495 CG2 THR A 35 4.162 -4.932 7.389 1.00 0.00 C ATOM 0 H THR A 35 0.016 -5.201 6.285 1.00 0.00 H new ATOM 0 HA THR A 35 2.531 -3.985 5.415 1.00 0.00 H new ATOM 0 HB THR A 35 2.208 -5.498 8.037 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.424 -3.337 8.194 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.573 -4.901 8.398 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.364 -5.907 6.945 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.627 -4.154 6.783 1.00 0.00 H new ATOM 503 N VAL A 36 3.169 -6.181 4.441 1.00 0.00 N ATOM 504 CA VAL A 36 3.487 -7.440 3.778 1.00 0.00 C ATOM 505 C VAL A 36 4.077 -8.446 4.760 1.00 0.00 C ATOM 506 O VAL A 36 5.224 -8.314 5.184 1.00 0.00 O ATOM 507 CB VAL A 36 4.479 -7.230 2.618 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.727 -8.538 1.884 1.00 0.00 C ATOM 509 CG2 VAL A 36 3.963 -6.163 1.664 1.00 0.00 C ATOM 0 H VAL A 36 3.681 -5.375 4.083 1.00 0.00 H new ATOM 0 HA VAL A 36 2.551 -7.832 3.380 1.00 0.00 H new ATOM 0 HB VAL A 36 5.428 -6.888 3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.430 -8.370 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.143 -9.270 2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.786 -8.913 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.676 -6.027 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.001 -6.474 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.842 -5.222 2.201 1.00 0.00 H new ATOM 519 N ALA A 37 3.284 -9.450 5.118 1.00 0.00 N ATOM 520 CA ALA A 37 3.728 -10.480 6.049 1.00 0.00 C ATOM 521 C ALA A 37 4.286 -11.689 5.305 1.00 0.00 C ATOM 522 O ALA A 37 5.086 -12.449 5.850 1.00 0.00 O ATOM 523 CB ALA A 37 2.582 -10.900 6.958 1.00 0.00 C ATOM 0 H ALA A 37 2.330 -9.572 4.777 1.00 0.00 H new ATOM 0 HA ALA A 37 4.527 -10.062 6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.928 -11.670 7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.231 -10.037 7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.765 -11.295 6.354 1.00 0.00 H new ATOM 529 N GLU A 38 3.857 -11.860 4.058 1.00 0.00 N ATOM 530 CA GLU A 38 4.314 -12.979 3.241 1.00 0.00 C ATOM 531 C GLU A 38 4.213 -12.644 1.756 1.00 0.00 C ATOM 532 O GLU A 38 3.411 -11.803 1.351 1.00 0.00 O ATOM 533 CB GLU A 38 3.493 -14.233 3.550 1.00 0.00 C ATOM 534 CG GLU A 38 4.251 -15.529 3.314 1.00 0.00 C ATOM 535 CD GLU A 38 3.348 -16.747 3.351 1.00 0.00 C ATOM 536 OE1 GLU A 38 2.589 -16.953 2.382 1.00 0.00 O ATOM 537 OE2 GLU A 38 3.402 -17.494 4.350 1.00 0.00 O ATOM 0 H GLU A 38 3.195 -11.239 3.592 1.00 0.00 H new ATOM 0 HA GLU A 38 5.360 -13.170 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.167 -14.197 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.594 -14.230 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.752 -15.482 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.028 -15.634 4.071 1.00 0.00 H new ATOM 544 N VAL A 39 5.033 -13.309 0.949 1.00 0.00 N ATOM 545 CA VAL A 39 5.037 -13.084 -0.492 1.00 0.00 C ATOM 546 C VAL A 39 5.193 -14.395 -1.253 1.00 0.00 C ATOM 547 O VAL A 39 6.012 -15.241 -0.891 1.00 0.00 O ATOM 548 CB VAL A 39 6.168 -12.124 -0.907 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.198 -11.956 -2.419 1.00 0.00 C ATOM 550 CG2 VAL A 39 6.006 -10.779 -0.216 1.00 0.00 C ATOM 0 H VAL A 39 5.703 -14.008 1.268 1.00 0.00 H new ATOM 0 HA VAL A 39 4.077 -12.633 -0.744 1.00 0.00 H new ATOM 0 HB VAL A 39 7.119 -12.555 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.003 -11.275 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.366 -12.925 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.246 -11.548 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.814 -10.114 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.049 -10.339 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.039 -10.919 0.864 1.00 0.00 H new ATOM 560 N CYS A 40 4.403 -14.558 -2.308 1.00 0.00 N ATOM 561 CA CYS A 40 4.452 -15.768 -3.122 1.00 0.00 C ATOM 562 C CYS A 40 3.746 -15.555 -4.456 1.00 0.00 C ATOM 563 O CYS A 40 2.962 -14.619 -4.614 1.00 0.00 O ATOM 564 CB CYS A 40 3.812 -16.937 -2.373 1.00 0.00 C ATOM 565 SG CYS A 40 4.500 -18.553 -2.802 1.00 0.00 S ATOM 0 H CYS A 40 3.720 -13.867 -2.620 1.00 0.00 H new ATOM 0 HA CYS A 40 5.498 -16.002 -3.319 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.930 -16.776 -1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.741 -16.944 -2.578 1.00 0.00 H new ATOM 0 HG CYS A 40 3.896 -19.478 -2.116 1.00 0.00 H new ATOM 571 N GLY A 41 4.030 -16.429 -5.417 1.00 0.00 N ATOM 572 CA GLY A 41 3.415 -16.319 -6.727 1.00 0.00 C ATOM 573 C GLY A 41 3.272 -14.880 -7.180 1.00 0.00 C ATOM 574 O GLY A 41 4.075 -14.023 -6.812 1.00 0.00 O ATOM 0 H GLY A 41 4.675 -17.212 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.014 -16.868 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.432 -16.789 -6.704 1.00 0.00 H new ATOM 578 N TYR A 42 2.248 -14.613 -7.983 1.00 0.00 N ATOM 579 CA TYR A 42 2.005 -13.269 -8.492 1.00 0.00 C ATOM 580 C TYR A 42 1.101 -12.484 -7.546 1.00 0.00 C ATOM 581 O TYR A 42 0.332 -11.624 -7.975 1.00 0.00 O ATOM 582 CB TYR A 42 1.372 -13.333 -9.883 1.00 0.00 C ATOM 583 CG TYR A 42 1.433 -12.024 -10.637 1.00 0.00 C ATOM 584 CD1 TYR A 42 2.581 -11.649 -11.324 1.00 0.00 C ATOM 585 CD2 TYR A 42 0.344 -11.162 -10.662 1.00 0.00 C ATOM 586 CE1 TYR A 42 2.642 -10.453 -12.014 1.00 0.00 C ATOM 587 CE2 TYR A 42 0.395 -9.965 -11.350 1.00 0.00 C ATOM 588 CZ TYR A 42 1.546 -9.616 -12.025 1.00 0.00 C ATOM 589 OH TYR A 42 1.602 -8.424 -12.710 1.00 0.00 O ATOM 0 H TYR A 42 1.572 -15.310 -8.296 1.00 0.00 H new ATOM 0 HA TYR A 42 2.964 -12.756 -8.560 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.876 -14.103 -10.467 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.330 -13.638 -9.785 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.440 -12.303 -11.319 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.559 -11.432 -10.134 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.543 -10.176 -12.541 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.461 -9.307 -11.359 1.00 0.00 H new ATOM 0 HH TYR A 42 0.842 -7.862 -12.452 1.00 0.00 H new ATOM 599 N ARG A 43 1.201 -12.787 -6.255 1.00 0.00 N ATOM 600 CA ARG A 43 0.393 -12.111 -5.247 1.00 0.00 C ATOM 601 C ARG A 43 1.207 -11.849 -3.984 1.00 0.00 C ATOM 602 O ARG A 43 2.334 -12.326 -3.850 1.00 0.00 O ATOM 603 CB ARG A 43 -0.842 -12.948 -4.907 1.00 0.00 C ATOM 604 CG ARG A 43 -1.957 -12.834 -5.933 1.00 0.00 C ATOM 605 CD ARG A 43 -3.245 -13.467 -5.429 1.00 0.00 C ATOM 606 NE ARG A 43 -4.165 -13.779 -6.520 1.00 0.00 N ATOM 607 CZ ARG A 43 -3.910 -14.681 -7.461 1.00 0.00 C ATOM 608 NH1 ARG A 43 -2.769 -15.357 -7.445 1.00 0.00 N ATOM 609 NH2 ARG A 43 -4.797 -14.908 -8.421 1.00 0.00 N ATOM 0 H ARG A 43 1.833 -13.496 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 43 0.072 -11.153 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.548 -13.994 -4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.223 -12.639 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.133 -11.784 -6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.651 -13.318 -6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.010 -14.379 -4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.731 -12.790 -4.727 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.052 -13.277 -6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.084 -15.185 -6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.576 -16.049 -8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.675 -14.390 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.601 -15.601 -9.143 1.00 0.00 H new ATOM 623 N ILE A 44 0.629 -11.088 -3.061 1.00 0.00 N ATOM 624 CA ILE A 44 1.301 -10.764 -1.808 1.00 0.00 C ATOM 625 C ILE A 44 0.325 -10.793 -0.637 1.00 0.00 C ATOM 626 O ILE A 44 -0.833 -10.394 -0.768 1.00 0.00 O ATOM 627 CB ILE A 44 1.969 -9.377 -1.871 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.953 -8.317 -2.300 1.00 0.00 C ATOM 629 CG2 ILE A 44 3.152 -9.402 -2.826 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.413 -6.899 -2.041 1.00 0.00 C ATOM 0 H ILE A 44 -0.303 -10.684 -3.157 1.00 0.00 H new ATOM 0 HA ILE A 44 2.069 -11.522 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 44 2.335 -9.121 -0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.745 -8.434 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.016 -8.489 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.613 -8.415 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.883 -10.133 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.809 -9.676 -3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.643 -6.201 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.594 -6.764 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.334 -6.709 -2.592 1.00 0.00 H new ATOM 642 N LYS A 45 0.800 -11.267 0.510 1.00 0.00 N ATOM 643 CA LYS A 45 -0.029 -11.346 1.707 1.00 0.00 C ATOM 644 C LYS A 45 -0.269 -9.960 2.295 1.00 0.00 C ATOM 645 O LYS A 45 0.651 -9.145 2.387 1.00 0.00 O ATOM 646 CB LYS A 45 0.634 -12.248 2.751 1.00 0.00 C ATOM 647 CG LYS A 45 -0.325 -12.749 3.818 1.00 0.00 C ATOM 648 CD LYS A 45 0.207 -13.996 4.504 1.00 0.00 C ATOM 649 CE LYS A 45 -0.874 -14.688 5.319 1.00 0.00 C ATOM 650 NZ LYS A 45 -0.297 -15.596 6.349 1.00 0.00 N ATOM 0 H LYS A 45 1.755 -11.602 0.636 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.992 -11.773 1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.083 -13.104 2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.444 -11.699 3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.488 -11.966 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.293 -12.966 3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.597 -14.686 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.039 -13.728 5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.498 -13.938 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.521 -15.259 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.066 -16.048 6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.278 -16.327 5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.300 -15.047 7.000 1.00 0.00 H new ATOM 664 N LEU A 46 -1.508 -9.698 2.695 1.00 0.00 N ATOM 665 CA LEU A 46 -1.869 -8.410 3.277 1.00 0.00 C ATOM 666 C LEU A 46 -2.268 -8.566 4.740 1.00 0.00 C ATOM 667 O LEU A 46 -3.360 -9.043 5.050 1.00 0.00 O ATOM 668 CB LEU A 46 -3.016 -7.775 2.488 1.00 0.00 C ATOM 669 CG LEU A 46 -2.623 -7.034 1.210 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.573 -5.974 1.509 1.00 0.00 C ATOM 671 CD2 LEU A 46 -2.112 -8.012 0.162 1.00 0.00 C ATOM 0 H LEU A 46 -2.280 -10.361 2.627 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.997 -7.759 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.727 -8.558 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.538 -7.077 3.143 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.509 -6.538 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.305 -5.457 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.974 -5.256 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.686 -6.449 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.837 -7.467 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.239 -8.537 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.894 -8.734 -0.074 1.00 0.00 H new ATOM 683 N HIS A 47 -1.376 -8.158 5.638 1.00 0.00 N ATOM 684 CA HIS A 47 -1.637 -8.250 7.070 1.00 0.00 C ATOM 685 C HIS A 47 -2.133 -6.916 7.619 1.00 0.00 C ATOM 686 O HIS A 47 -1.571 -5.862 7.319 1.00 0.00 O ATOM 687 CB HIS A 47 -0.372 -8.682 7.813 1.00 0.00 C ATOM 688 CG HIS A 47 -0.527 -8.693 9.303 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.278 -9.634 9.974 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.020 -7.872 10.252 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.228 -9.391 11.272 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.471 -8.327 11.467 1.00 0.00 N ATOM 0 H HIS A 47 -0.467 -7.761 5.399 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.414 -8.998 7.225 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.087 -9.679 7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.444 -8.010 7.546 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.620 -7.018 10.085 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.722 -9.965 12.042 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.256 -7.910 12.373 1.00 0.00 H new ATOM 701 N PHE A 48 -3.189 -6.968 8.424 1.00 0.00 N ATOM 702 CA PHE A 48 -3.761 -5.764 9.014 1.00 0.00 C ATOM 703 C PHE A 48 -3.018 -5.376 10.289 1.00 0.00 C ATOM 704 O PHE A 48 -2.928 -6.163 11.231 1.00 0.00 O ATOM 705 CB PHE A 48 -5.246 -5.976 9.319 1.00 0.00 C ATOM 706 CG PHE A 48 -6.101 -6.088 8.090 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.603 -4.953 7.474 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.402 -7.328 7.550 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.391 -5.053 6.342 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.190 -7.434 6.419 1.00 0.00 C ATOM 711 CZ PHE A 48 -7.683 -6.295 5.814 1.00 0.00 C ATOM 0 H PHE A 48 -3.666 -7.832 8.683 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.657 -4.952 8.294 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.360 -6.881 9.915 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.606 -5.146 9.927 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.376 -3.979 7.882 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.017 -8.222 8.018 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.777 -4.161 5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.420 -8.406 6.009 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.296 -6.375 4.929 1.00 0.00 H new ATOM 721 N ASP A 49 -2.488 -4.158 10.310 1.00 0.00 N ATOM 722 CA ASP A 49 -1.753 -3.664 11.468 1.00 0.00 C ATOM 723 C ASP A 49 -2.691 -3.432 12.648 1.00 0.00 C ATOM 724 O ASP A 49 -3.154 -2.315 12.876 1.00 0.00 O ATOM 725 CB ASP A 49 -1.021 -2.367 11.120 1.00 0.00 C ATOM 726 CG ASP A 49 0.220 -2.610 10.283 1.00 0.00 C ATOM 727 OD1 ASP A 49 1.104 -3.365 10.739 1.00 0.00 O ATOM 728 OD2 ASP A 49 0.308 -2.044 9.173 1.00 0.00 O ATOM 0 H ASP A 49 -2.554 -3.495 9.538 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.021 -4.420 11.752 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.697 -1.705 10.579 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.741 -1.853 12.040 1.00 0.00 H new ATOM 733 N GLY A 50 -2.968 -4.496 13.396 1.00 0.00 N ATOM 734 CA GLY A 50 -3.851 -4.387 14.543 1.00 0.00 C ATOM 735 C GLY A 50 -4.717 -5.617 14.727 1.00 0.00 C ATOM 736 O GLY A 50 -4.679 -6.261 15.776 1.00 0.00 O ATOM 0 H GLY A 50 -2.597 -5.431 13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.256 -4.228 15.442 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.489 -3.511 14.424 1.00 0.00 H new ATOM 740 N TYR A 51 -5.501 -5.944 13.706 1.00 0.00 N ATOM 741 CA TYR A 51 -6.384 -7.103 13.761 1.00 0.00 C ATOM 742 C TYR A 51 -5.582 -8.393 13.906 1.00 0.00 C ATOM 743 O TYR A 51 -4.355 -8.367 14.003 1.00 0.00 O ATOM 744 CB TYR A 51 -7.253 -7.169 12.504 1.00 0.00 C ATOM 745 CG TYR A 51 -8.312 -6.091 12.444 1.00 0.00 C ATOM 746 CD1 TYR A 51 -8.034 -4.846 11.895 1.00 0.00 C ATOM 747 CD2 TYR A 51 -9.592 -6.320 12.934 1.00 0.00 C ATOM 748 CE1 TYR A 51 -8.998 -3.858 11.839 1.00 0.00 C ATOM 749 CE2 TYR A 51 -10.563 -5.339 12.881 1.00 0.00 C ATOM 750 CZ TYR A 51 -10.261 -4.110 12.333 1.00 0.00 C ATOM 751 OH TYR A 51 -11.225 -3.129 12.277 1.00 0.00 O ATOM 0 H TYR A 51 -5.543 -5.423 12.830 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.027 -6.996 14.634 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.613 -7.088 11.625 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.736 -8.145 12.457 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.047 -4.647 11.505 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.832 -7.281 13.364 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.764 -2.894 11.411 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.553 -5.533 13.266 1.00 0.00 H new ATOM 0 HH TYR A 51 -12.059 -3.467 12.665 1.00 0.00 H new ATOM 761 N SER A 52 -6.285 -9.521 13.918 1.00 0.00 N ATOM 762 CA SER A 52 -5.640 -10.822 14.054 1.00 0.00 C ATOM 763 C SER A 52 -5.273 -11.392 12.687 1.00 0.00 C ATOM 764 O SER A 52 -5.874 -11.037 11.673 1.00 0.00 O ATOM 765 CB SER A 52 -6.558 -11.795 14.795 1.00 0.00 C ATOM 766 OG SER A 52 -7.665 -12.165 13.991 1.00 0.00 O ATOM 0 H SER A 52 -7.301 -9.560 13.835 1.00 0.00 H new ATOM 0 HA SER A 52 -4.724 -10.688 14.630 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.997 -12.685 15.078 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.912 -11.335 15.717 1.00 0.00 H new ATOM 0 HG SER A 52 -8.089 -11.360 13.627 1.00 0.00 H new ATOM 772 N ASP A 53 -4.283 -12.277 12.669 1.00 0.00 N ATOM 773 CA ASP A 53 -3.835 -12.898 11.428 1.00 0.00 C ATOM 774 C ASP A 53 -5.000 -13.568 10.705 1.00 0.00 C ATOM 775 O ASP A 53 -5.087 -13.526 9.477 1.00 0.00 O ATOM 776 CB ASP A 53 -2.738 -13.925 11.713 1.00 0.00 C ATOM 777 CG ASP A 53 -1.365 -13.290 11.818 1.00 0.00 C ATOM 778 OD1 ASP A 53 -1.096 -12.624 12.840 1.00 0.00 O ATOM 779 OD2 ASP A 53 -0.560 -13.458 10.878 1.00 0.00 O ATOM 0 H ASP A 53 -3.775 -12.581 13.500 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.431 -12.116 10.784 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.966 -14.447 12.642 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.730 -14.673 10.920 1.00 0.00 H new ATOM 784 N CYS A 54 -5.890 -14.186 11.473 1.00 0.00 N ATOM 785 CA CYS A 54 -7.048 -14.867 10.905 1.00 0.00 C ATOM 786 C CYS A 54 -7.694 -14.021 9.812 1.00 0.00 C ATOM 787 O CYS A 54 -8.355 -14.546 8.916 1.00 0.00 O ATOM 788 CB CYS A 54 -8.071 -15.176 11.999 1.00 0.00 C ATOM 789 SG CYS A 54 -7.751 -16.713 12.896 1.00 0.00 S ATOM 0 H CYS A 54 -5.832 -14.230 12.490 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.707 -15.803 10.462 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.088 -14.350 12.710 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.063 -15.230 11.550 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.668 -16.886 13.801 1.00 0.00 H new ATOM 795 N TYR A 55 -7.500 -12.710 9.894 1.00 0.00 N ATOM 796 CA TYR A 55 -8.067 -11.791 8.915 1.00 0.00 C ATOM 797 C TYR A 55 -7.055 -11.470 7.819 1.00 0.00 C ATOM 798 O TYR A 55 -7.028 -10.359 7.288 1.00 0.00 O ATOM 799 CB TYR A 55 -8.521 -10.500 9.598 1.00 0.00 C ATOM 800 CG TYR A 55 -9.493 -10.726 10.734 1.00 0.00 C ATOM 801 CD1 TYR A 55 -10.832 -11.000 10.484 1.00 0.00 C ATOM 802 CD2 TYR A 55 -9.073 -10.667 12.057 1.00 0.00 C ATOM 803 CE1 TYR A 55 -11.724 -11.206 11.518 1.00 0.00 C ATOM 804 CE2 TYR A 55 -9.957 -10.873 13.098 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.282 -11.142 12.823 1.00 0.00 C ATOM 806 OH TYR A 55 -12.167 -11.349 13.856 1.00 0.00 O ATOM 0 H TYR A 55 -6.954 -12.260 10.629 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.930 -12.275 8.458 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.646 -9.973 9.979 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.986 -9.851 8.856 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.181 -11.053 9.463 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.037 -10.456 12.275 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.762 -11.416 11.306 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.613 -10.824 14.121 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.695 -11.270 14.711 1.00 0.00 H new ATOM 816 N ASP A 56 -6.224 -12.451 7.485 1.00 0.00 N ATOM 817 CA ASP A 56 -5.210 -12.276 6.451 1.00 0.00 C ATOM 818 C ASP A 56 -5.798 -12.528 5.066 1.00 0.00 C ATOM 819 O ASP A 56 -6.563 -13.471 4.867 1.00 0.00 O ATOM 820 CB ASP A 56 -4.031 -13.218 6.698 1.00 0.00 C ATOM 821 CG ASP A 56 -4.476 -14.597 7.144 1.00 0.00 C ATOM 822 OD1 ASP A 56 -5.522 -15.071 6.654 1.00 0.00 O ATOM 823 OD2 ASP A 56 -3.777 -15.203 7.983 1.00 0.00 O ATOM 0 H ASP A 56 -6.232 -13.376 7.915 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.856 -11.246 6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.443 -13.307 5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.378 -12.787 7.457 1.00 0.00 H new ATOM 828 N PHE A 57 -5.435 -11.677 4.111 1.00 0.00 N ATOM 829 CA PHE A 57 -5.927 -11.806 2.745 1.00 0.00 C ATOM 830 C PHE A 57 -4.827 -11.487 1.738 1.00 0.00 C ATOM 831 O PHE A 57 -3.869 -10.781 2.052 1.00 0.00 O ATOM 832 CB PHE A 57 -7.124 -10.879 2.522 1.00 0.00 C ATOM 833 CG PHE A 57 -6.752 -9.425 2.461 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.318 -8.759 3.596 1.00 0.00 C ATOM 835 CD2 PHE A 57 -6.836 -8.724 1.268 1.00 0.00 C ATOM 836 CE1 PHE A 57 -5.976 -7.421 3.542 1.00 0.00 C ATOM 837 CE2 PHE A 57 -6.495 -7.386 1.209 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.063 -6.734 2.347 1.00 0.00 C ATOM 0 H PHE A 57 -4.802 -10.891 4.259 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.243 -12.838 2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.621 -11.158 1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.844 -11.028 3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.246 -9.291 4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.172 -9.229 0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.641 -6.913 4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.566 -6.851 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.794 -5.689 2.303 1.00 0.00 H new ATOM 848 N TRP A 58 -4.972 -12.011 0.526 1.00 0.00 N ATOM 849 CA TRP A 58 -3.990 -11.783 -0.528 1.00 0.00 C ATOM 850 C TRP A 58 -4.585 -10.943 -1.653 1.00 0.00 C ATOM 851 O TRP A 58 -5.733 -11.142 -2.049 1.00 0.00 O ATOM 852 CB TRP A 58 -3.486 -13.116 -1.082 1.00 0.00 C ATOM 853 CG TRP A 58 -2.700 -13.914 -0.085 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.128 -14.351 1.135 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.349 -14.367 -0.225 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.124 -15.049 1.763 1.00 0.00 N ATOM 857 CE2 TRP A 58 -1.023 -15.074 0.949 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.383 -14.247 -1.228 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.227 -15.655 1.145 1.00 0.00 C ATOM 860 CZ3 TRP A 58 0.857 -14.824 -1.032 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.153 -15.521 0.147 1.00 0.00 C ATOM 0 H TRP A 58 -5.760 -12.596 0.249 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.151 -11.237 -0.096 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.338 -13.707 -1.419 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.864 -12.926 -1.956 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.111 -14.174 1.546 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.189 -15.479 2.686 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.602 -13.712 -2.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.457 -16.193 2.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.611 -14.736 -1.800 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.132 -15.961 0.270 1.00 0.00 H new ATOM 872 N VAL A 59 -3.796 -10.004 -2.166 1.00 0.00 N ATOM 873 CA VAL A 59 -4.245 -9.135 -3.247 1.00 0.00 C ATOM 874 C VAL A 59 -3.338 -9.261 -4.466 1.00 0.00 C ATOM 875 O VAL A 59 -2.315 -9.942 -4.423 1.00 0.00 O ATOM 876 CB VAL A 59 -4.286 -7.661 -2.802 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.127 -7.506 -1.544 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.877 -7.132 -2.580 1.00 0.00 C ATOM 0 H VAL A 59 -2.843 -9.826 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.253 -9.455 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.749 -7.073 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.144 -6.458 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.144 -7.844 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.696 -8.105 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.925 -6.089 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.385 -7.721 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.310 -7.206 -3.508 1.00 0.00 H new ATOM 888 N ASN A 60 -3.722 -8.600 -5.553 1.00 0.00 N ATOM 889 CA ASN A 60 -2.943 -8.638 -6.785 1.00 0.00 C ATOM 890 C ASN A 60 -1.681 -7.791 -6.658 1.00 0.00 C ATOM 891 O ASN A 60 -1.751 -6.588 -6.410 1.00 0.00 O ATOM 892 CB ASN A 60 -3.787 -8.142 -7.962 1.00 0.00 C ATOM 893 CG ASN A 60 -5.202 -8.685 -7.928 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.417 -9.894 -8.015 1.00 0.00 O ATOM 895 ND2 ASN A 60 -6.176 -7.791 -7.801 1.00 0.00 N ATOM 0 H ASN A 60 -4.567 -8.032 -5.606 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.648 -9.672 -6.967 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.818 -7.053 -7.949 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.310 -8.436 -8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.149 -8.097 -7.772 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.951 -6.798 -7.732 1.00 0.00 H new ATOM 902 N ALA A 61 -0.527 -8.429 -6.829 1.00 0.00 N ATOM 903 CA ALA A 61 0.751 -7.734 -6.736 1.00 0.00 C ATOM 904 C ALA A 61 0.691 -6.379 -7.432 1.00 0.00 C ATOM 905 O ALA A 61 1.253 -5.396 -6.948 1.00 0.00 O ATOM 906 CB ALA A 61 1.860 -8.588 -7.332 1.00 0.00 C ATOM 0 H ALA A 61 -0.451 -9.426 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 61 0.967 -7.561 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.809 -8.057 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.927 -9.530 -6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.640 -8.790 -8.380 1.00 0.00 H new ATOM 912 N ASP A 62 0.009 -6.334 -8.571 1.00 0.00 N ATOM 913 CA ASP A 62 -0.124 -5.098 -9.334 1.00 0.00 C ATOM 914 C ASP A 62 -1.544 -4.548 -9.235 1.00 0.00 C ATOM 915 O ASP A 62 -2.107 -4.074 -10.221 1.00 0.00 O ATOM 916 CB ASP A 62 0.242 -5.337 -10.800 1.00 0.00 C ATOM 917 CG ASP A 62 -0.898 -5.950 -11.589 1.00 0.00 C ATOM 918 OD1 ASP A 62 -1.133 -7.168 -11.442 1.00 0.00 O ATOM 919 OD2 ASP A 62 -1.555 -5.213 -12.354 1.00 0.00 O ATOM 0 H ASP A 62 -0.460 -7.139 -8.986 1.00 0.00 H new ATOM 0 HA ASP A 62 0.561 -4.363 -8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.530 -4.391 -11.258 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.110 -5.994 -10.852 1.00 0.00 H new ATOM 924 N ALA A 63 -2.117 -4.616 -8.037 1.00 0.00 N ATOM 925 CA ALA A 63 -3.470 -4.124 -7.809 1.00 0.00 C ATOM 926 C ALA A 63 -3.512 -2.600 -7.836 1.00 0.00 C ATOM 927 O ALA A 63 -2.489 -1.937 -7.656 1.00 0.00 O ATOM 928 CB ALA A 63 -4.004 -4.645 -6.483 1.00 0.00 C ATOM 0 H ALA A 63 -1.665 -5.007 -7.210 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.105 -4.493 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.015 -4.270 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.020 -5.735 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.360 -4.304 -5.672 1.00 0.00 H new ATOM 934 N LEU A 64 -4.699 -2.049 -8.062 1.00 0.00 N ATOM 935 CA LEU A 64 -4.874 -0.602 -8.113 1.00 0.00 C ATOM 936 C LEU A 64 -5.443 -0.075 -6.800 1.00 0.00 C ATOM 937 O LEU A 64 -5.104 1.024 -6.361 1.00 0.00 O ATOM 938 CB LEU A 64 -5.799 -0.221 -9.271 1.00 0.00 C ATOM 939 CG LEU A 64 -5.513 -0.902 -10.610 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.609 -0.584 -11.615 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.155 -0.476 -11.147 1.00 0.00 C ATOM 0 H LEU A 64 -5.555 -2.583 -8.213 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.896 -0.148 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.824 -0.450 -8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.742 0.858 -9.415 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.496 -1.980 -10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.389 -1.077 -12.562 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.566 -0.940 -11.234 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.659 0.494 -11.770 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.969 -0.971 -12.100 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.143 0.604 -11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.378 -0.756 -10.435 1.00 0.00 H new ATOM 953 N ASP A 65 -6.307 -0.868 -6.175 1.00 0.00 N ATOM 954 CA ASP A 65 -6.920 -0.483 -4.909 1.00 0.00 C ATOM 955 C ASP A 65 -5.856 -0.220 -3.848 1.00 0.00 C ATOM 956 O ASP A 65 -6.145 0.344 -2.792 1.00 0.00 O ATOM 957 CB ASP A 65 -7.877 -1.575 -4.429 1.00 0.00 C ATOM 958 CG ASP A 65 -8.508 -2.337 -5.577 1.00 0.00 C ATOM 959 OD1 ASP A 65 -9.403 -1.775 -6.243 1.00 0.00 O ATOM 960 OD2 ASP A 65 -8.107 -3.496 -5.811 1.00 0.00 O ATOM 0 H ASP A 65 -6.598 -1.781 -6.524 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.482 0.437 -5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.337 -2.271 -3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.662 -1.125 -3.821 1.00 0.00 H new ATOM 965 N ILE A 66 -4.626 -0.632 -4.135 1.00 0.00 N ATOM 966 CA ILE A 66 -3.520 -0.440 -3.206 1.00 0.00 C ATOM 967 C ILE A 66 -2.637 0.727 -3.634 1.00 0.00 C ATOM 968 O ILE A 66 -2.446 0.970 -4.827 1.00 0.00 O ATOM 969 CB ILE A 66 -2.654 -1.709 -3.092 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.954 -1.996 -4.423 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.506 -2.896 -2.668 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.971 -3.143 -4.353 1.00 0.00 C ATOM 0 H ILE A 66 -4.370 -1.101 -5.004 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.960 -0.221 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.892 -1.544 -2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.707 -2.219 -5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.430 -1.098 -4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.880 -3.785 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.962 -2.689 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.288 -3.065 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.513 -3.290 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.197 -2.915 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.494 -4.053 -4.057 1.00 0.00 H new ATOM 984 N HIS A 67 -2.100 1.447 -2.654 1.00 0.00 N ATOM 985 CA HIS A 67 -1.235 2.589 -2.930 1.00 0.00 C ATOM 986 C HIS A 67 -0.070 2.637 -1.947 1.00 0.00 C ATOM 987 O HIS A 67 -0.171 2.191 -0.804 1.00 0.00 O ATOM 988 CB HIS A 67 -2.034 3.890 -2.856 1.00 0.00 C ATOM 989 CG HIS A 67 -2.913 4.122 -4.047 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.440 4.604 -5.249 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.242 3.934 -4.216 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.440 4.703 -6.105 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.545 4.303 -5.503 1.00 0.00 N ATOM 0 H HIS A 67 -2.248 1.260 -1.662 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.834 2.475 -3.937 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.650 3.878 -1.957 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.342 4.726 -2.757 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.936 3.563 -3.476 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.367 5.052 -7.124 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.473 4.273 -5.926 1.00 0.00 H new ATOM 1002 N PRO A 68 1.065 3.191 -2.400 1.00 0.00 N ATOM 1003 CA PRO A 68 2.272 3.310 -1.576 1.00 0.00 C ATOM 1004 C PRO A 68 2.108 4.328 -0.453 1.00 0.00 C ATOM 1005 O PRO A 68 1.607 5.432 -0.669 1.00 0.00 O ATOM 1006 CB PRO A 68 3.336 3.778 -2.571 1.00 0.00 C ATOM 1007 CG PRO A 68 2.571 4.468 -3.648 1.00 0.00 C ATOM 1008 CD PRO A 68 1.257 3.743 -3.751 1.00 0.00 C ATOM 0 HA PRO A 68 2.519 2.373 -1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.050 4.452 -2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.905 2.937 -2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.419 5.520 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.111 4.433 -4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.447 4.417 -4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.290 2.957 -4.505 1.00 0.00 H new ATOM 1016 N VAL A 69 2.535 3.951 0.749 1.00 0.00 N ATOM 1017 CA VAL A 69 2.437 4.832 1.906 1.00 0.00 C ATOM 1018 C VAL A 69 2.635 6.290 1.506 1.00 0.00 C ATOM 1019 O VAL A 69 3.463 6.603 0.652 1.00 0.00 O ATOM 1020 CB VAL A 69 3.474 4.461 2.983 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.336 5.372 4.194 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.327 3.001 3.384 1.00 0.00 C ATOM 0 H VAL A 69 2.952 3.041 0.946 1.00 0.00 H new ATOM 0 HA VAL A 69 1.435 4.704 2.317 1.00 0.00 H new ATOM 0 HB VAL A 69 4.471 4.600 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.077 5.095 4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.496 6.407 3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.336 5.268 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.068 2.757 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.327 2.832 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.481 2.367 2.511 1.00 0.00 H new ATOM 1032 N GLY A 70 1.868 7.179 2.129 1.00 0.00 N ATOM 1033 CA GLY A 70 1.974 8.594 1.825 1.00 0.00 C ATOM 1034 C GLY A 70 1.139 8.993 0.624 1.00 0.00 C ATOM 1035 O GLY A 70 0.754 10.154 0.486 1.00 0.00 O ATOM 0 H GLY A 70 1.175 6.944 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.658 9.174 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.018 8.845 1.637 1.00 0.00 H new ATOM 1039 N TRP A 71 0.861 8.030 -0.247 1.00 0.00 N ATOM 1040 CA TRP A 71 0.067 8.288 -1.443 1.00 0.00 C ATOM 1041 C TRP A 71 -1.210 9.045 -1.097 1.00 0.00 C ATOM 1042 O TRP A 71 -1.637 9.931 -1.838 1.00 0.00 O ATOM 1043 CB TRP A 71 -0.279 6.973 -2.144 1.00 0.00 C ATOM 1044 CG TRP A 71 -1.282 7.133 -3.246 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.037 7.551 -4.523 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -2.689 6.880 -3.167 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.207 7.573 -5.243 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -3.235 7.165 -4.434 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -3.541 6.439 -2.151 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -4.593 7.023 -4.709 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -4.888 6.299 -2.425 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -5.403 6.589 -3.695 1.00 0.00 C ATOM 0 H TRP A 71 1.173 7.064 -0.148 1.00 0.00 H new ATOM 0 HA TRP A 71 0.661 8.906 -2.116 1.00 0.00 H new ATOM 0 HB2 TRP A 71 0.632 6.537 -2.553 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.667 6.269 -1.408 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.066 7.824 -4.910 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.296 7.848 -6.221 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.153 6.212 -1.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -4.992 7.247 -5.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.555 5.960 -1.646 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.461 6.468 -3.878 1.00 0.00 H new ATOM 1063 N CYS A 72 -1.814 8.692 0.032 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.044 9.339 0.476 1.00 0.00 C ATOM 1065 C CYS A 72 -2.987 10.843 0.227 1.00 0.00 C ATOM 1066 O CYS A 72 -3.903 11.419 -0.358 1.00 0.00 O ATOM 1067 CB CYS A 72 -3.281 9.064 1.962 1.00 0.00 C ATOM 1068 SG CYS A 72 -1.805 9.239 2.990 1.00 0.00 S ATOM 0 H CYS A 72 -1.472 7.962 0.657 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.872 8.925 -0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.049 9.745 2.329 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.672 8.053 2.075 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.107 8.989 4.229 1.00 0.00 H new ATOM 1074 N GLU A 73 -1.906 11.472 0.678 1.00 0.00 N ATOM 1075 CA GLU A 73 -1.732 12.909 0.506 1.00 0.00 C ATOM 1076 C GLU A 73 -1.497 13.257 -0.961 1.00 0.00 C ATOM 1077 O GLU A 73 -2.044 14.233 -1.475 1.00 0.00 O ATOM 1078 CB GLU A 73 -0.561 13.409 1.355 1.00 0.00 C ATOM 1079 CG GLU A 73 -0.538 14.918 1.532 1.00 0.00 C ATOM 1080 CD GLU A 73 -1.924 15.532 1.485 1.00 0.00 C ATOM 1081 OE1 GLU A 73 -2.779 15.130 2.301 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -2.152 16.415 0.633 1.00 0.00 O ATOM 0 H GLU A 73 -1.138 11.009 1.165 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.646 13.402 0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.607 12.937 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.374 13.092 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.069 15.161 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.079 15.362 0.751 1.00 0.00 H new ATOM 1089 N LYS A 74 -0.678 12.453 -1.629 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.368 12.673 -3.037 1.00 0.00 C ATOM 1091 C LYS A 74 -1.628 13.028 -3.821 1.00 0.00 C ATOM 1092 O LYS A 74 -1.652 14.007 -4.568 1.00 0.00 O ATOM 1093 CB LYS A 74 0.285 11.426 -3.638 1.00 0.00 C ATOM 1094 CG LYS A 74 0.911 11.664 -5.001 1.00 0.00 C ATOM 1095 CD LYS A 74 -0.088 11.427 -6.122 1.00 0.00 C ATOM 1096 CE LYS A 74 0.557 11.599 -7.489 1.00 0.00 C ATOM 1097 NZ LYS A 74 1.035 12.992 -7.706 1.00 0.00 N ATOM 0 H LYS A 74 -0.216 11.642 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 74 0.329 13.508 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.052 11.062 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.465 10.639 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.286 12.686 -5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.768 11.002 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.500 10.422 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.921 12.123 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.395 10.909 -7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.162 11.337 -8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.328 13.108 -8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.267 13.660 -7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.845 13.182 -7.082 1.00 0.00 H new ATOM 1111 N THR A 75 -2.674 12.226 -3.647 1.00 0.00 N ATOM 1112 CA THR A 75 -3.937 12.456 -4.337 1.00 0.00 C ATOM 1113 C THR A 75 -4.841 13.386 -3.536 1.00 0.00 C ATOM 1114 O THR A 75 -5.412 14.331 -4.078 1.00 0.00 O ATOM 1115 CB THR A 75 -4.682 11.134 -4.600 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.020 10.507 -3.358 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.831 10.190 -5.436 1.00 0.00 C ATOM 0 H THR A 75 -2.671 11.411 -3.034 1.00 0.00 H new ATOM 0 HA THR A 75 -3.695 12.924 -5.291 1.00 0.00 H new ATOM 0 HB THR A 75 -5.594 11.360 -5.152 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.349 9.600 -3.528 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.378 9.263 -5.609 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.600 10.659 -6.393 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.904 9.971 -4.907 1.00 0.00 H new ATOM 1125 N GLY A 76 -4.965 13.111 -2.241 1.00 0.00 N ATOM 1126 CA GLY A 76 -5.802 13.933 -1.386 1.00 0.00 C ATOM 1127 C GLY A 76 -6.893 13.134 -0.702 1.00 0.00 C ATOM 1128 O GLY A 76 -7.920 13.686 -0.304 1.00 0.00 O ATOM 0 H GLY A 76 -4.501 12.335 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.182 14.416 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.255 14.726 -1.981 1.00 0.00 H new ATOM 1132 N HIS A 77 -6.673 11.831 -0.565 1.00 0.00 N ATOM 1133 CA HIS A 77 -7.647 10.954 0.075 1.00 0.00 C ATOM 1134 C HIS A 77 -7.338 10.790 1.560 1.00 0.00 C ATOM 1135 O HIS A 77 -6.176 10.798 1.968 1.00 0.00 O ATOM 1136 CB HIS A 77 -7.661 9.586 -0.609 1.00 0.00 C ATOM 1137 CG HIS A 77 -8.360 9.586 -1.933 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -9.598 10.161 -2.131 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -7.987 9.078 -3.131 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -9.957 10.005 -3.393 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -8.996 9.351 -4.022 1.00 0.00 N ATOM 0 H HIS A 77 -5.829 11.359 -0.889 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.631 11.412 -0.025 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.634 9.249 -0.750 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.146 8.865 0.049 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.067 8.555 -3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -10.879 10.353 -3.835 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.003 9.091 -5.008 1.00 0.00 H new ATOM 1150 N LYS A 78 -8.385 10.642 2.365 1.00 0.00 N ATOM 1151 CA LYS A 78 -8.226 10.476 3.805 1.00 0.00 C ATOM 1152 C LYS A 78 -7.945 9.018 4.156 1.00 0.00 C ATOM 1153 O LYS A 78 -8.740 8.130 3.847 1.00 0.00 O ATOM 1154 CB LYS A 78 -9.482 10.954 4.536 1.00 0.00 C ATOM 1155 CG LYS A 78 -9.210 11.473 5.937 1.00 0.00 C ATOM 1156 CD LYS A 78 -8.793 12.934 5.919 1.00 0.00 C ATOM 1157 CE LYS A 78 -8.618 13.481 7.328 1.00 0.00 C ATOM 1158 NZ LYS A 78 -7.254 13.215 7.861 1.00 0.00 N ATOM 0 H LYS A 78 -9.353 10.634 2.044 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.376 11.079 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.955 11.743 3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.194 10.130 4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.104 11.356 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.426 10.875 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.859 13.040 5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.544 13.521 5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.804 14.555 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.360 13.030 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.175 13.603 8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.085 12.189 7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.547 13.667 7.246 1.00 0.00 H new ATOM 1172 N LEU A 79 -6.811 8.779 4.805 1.00 0.00 N ATOM 1173 CA LEU A 79 -6.425 7.429 5.201 1.00 0.00 C ATOM 1174 C LEU A 79 -7.195 6.984 6.440 1.00 0.00 C ATOM 1175 O LEU A 79 -7.267 7.709 7.433 1.00 0.00 O ATOM 1176 CB LEU A 79 -4.921 7.365 5.471 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.447 6.218 6.364 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -4.560 4.890 5.632 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.016 6.456 6.824 1.00 0.00 C ATOM 0 H LEU A 79 -6.142 9.503 5.068 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.669 6.753 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.403 7.292 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.614 8.306 5.928 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.088 6.180 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.218 4.085 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.599 4.715 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.944 4.916 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.696 5.630 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.361 6.522 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.965 7.387 7.388 1.00 0.00 H new ATOM 1191 N HIS A 80 -7.768 5.786 6.376 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.531 5.243 7.495 1.00 0.00 C ATOM 1193 C HIS A 80 -7.612 4.530 8.483 1.00 0.00 C ATOM 1194 O HIS A 80 -6.771 3.713 8.107 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.602 4.277 6.988 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.673 4.942 6.179 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -11.921 5.241 6.684 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.677 5.367 4.894 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.646 5.820 5.743 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -11.914 5.909 4.648 1.00 0.00 N ATOM 0 H HIS A 80 -7.719 5.173 5.562 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.016 6.073 8.010 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.127 3.506 6.382 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.060 3.776 7.840 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.859 5.293 4.193 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.665 6.162 5.851 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.218 6.315 3.763 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.775 4.845 9.776 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.969 4.246 10.844 1.00 0.00 C ATOM 1211 C PRO A 81 -7.298 2.773 11.061 1.00 0.00 C ATOM 1212 O PRO A 81 -8.353 2.281 10.659 1.00 0.00 O ATOM 1213 CB PRO A 81 -7.351 5.066 12.079 1.00 0.00 C ATOM 1214 CG PRO A 81 -8.715 5.586 11.782 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.758 5.811 10.296 1.00 0.00 C ATOM 0 HA PRO A 81 -5.904 4.269 10.613 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.349 4.451 12.979 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.645 5.879 12.248 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.480 4.874 12.091 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.905 6.513 12.323 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.753 5.629 9.891 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.491 6.835 10.037 1.00 0.00 H new ATOM 1223 N PRO A 82 -6.375 2.049 11.713 1.00 0.00 N ATOM 1224 CA PRO A 82 -6.545 0.622 11.998 1.00 0.00 C ATOM 1225 C PRO A 82 -7.626 0.364 13.043 1.00 0.00 C ATOM 1226 O PRO A 82 -8.446 1.237 13.331 1.00 0.00 O ATOM 1227 CB PRO A 82 -5.174 0.201 12.533 1.00 0.00 C ATOM 1228 CG PRO A 82 -4.584 1.452 13.087 1.00 0.00 C ATOM 1229 CD PRO A 82 -5.095 2.570 12.221 1.00 0.00 C ATOM 0 HA PRO A 82 -6.863 0.066 11.116 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.267 -0.567 13.301 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.550 -0.214 11.741 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.880 1.596 14.126 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.495 1.411 13.069 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.233 3.489 12.791 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.404 2.798 11.410 1.00 0.00 H new ATOM 1237 N LYS A 83 -7.622 -0.838 13.607 1.00 0.00 N ATOM 1238 CA LYS A 83 -8.601 -1.211 14.622 1.00 0.00 C ATOM 1239 C LYS A 83 -8.455 -0.340 15.865 1.00 0.00 C ATOM 1240 O LYS A 83 -7.380 -0.263 16.459 1.00 0.00 O ATOM 1241 CB LYS A 83 -8.440 -2.686 14.998 1.00 0.00 C ATOM 1242 CG LYS A 83 -7.025 -3.058 15.406 1.00 0.00 C ATOM 1243 CD LYS A 83 -7.018 -4.172 16.440 1.00 0.00 C ATOM 1244 CE LYS A 83 -7.251 -3.632 17.842 1.00 0.00 C ATOM 1245 NZ LYS A 83 -8.699 -3.596 18.190 1.00 0.00 N ATOM 0 H LYS A 83 -6.951 -1.572 13.379 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.596 -1.055 14.205 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.119 -2.920 15.818 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.739 -3.303 14.151 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.463 -3.373 14.527 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.520 -2.181 15.811 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.791 -4.901 16.196 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.063 -4.696 16.405 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.720 -4.253 18.563 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.834 -2.628 17.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.815 -3.759 19.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.093 -2.666 17.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.202 -4.337 17.662 1.00 0.00 H new ATOM 1259 N GLY A 84 -9.545 0.316 16.254 1.00 0.00 N ATOM 1260 CA GLY A 84 -9.516 1.172 17.426 1.00 0.00 C ATOM 1261 C GLY A 84 -8.487 2.278 17.310 1.00 0.00 C ATOM 1262 O GLY A 84 -7.699 2.501 18.230 1.00 0.00 O ATOM 0 H GLY A 84 -10.446 0.270 15.779 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.502 1.612 17.576 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.299 0.569 18.308 1.00 0.00 H new ATOM 1266 N TYR A 85 -8.491 2.972 16.178 1.00 0.00 N ATOM 1267 CA TYR A 85 -7.548 4.059 15.944 1.00 0.00 C ATOM 1268 C TYR A 85 -8.194 5.175 15.128 1.00 0.00 C ATOM 1269 O TYR A 85 -9.040 4.924 14.270 1.00 0.00 O ATOM 1270 CB TYR A 85 -6.306 3.537 15.220 1.00 0.00 C ATOM 1271 CG TYR A 85 -5.206 3.085 16.154 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -4.355 4.005 16.754 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -5.017 1.738 16.436 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -3.348 3.597 17.607 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -4.014 1.320 17.290 1.00 0.00 C ATOM 1276 CZ TYR A 85 -3.182 2.254 17.872 1.00 0.00 C ATOM 1277 OH TYR A 85 -2.181 1.842 18.722 1.00 0.00 O ATOM 0 H TYR A 85 -9.137 2.801 15.407 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.253 4.465 16.912 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.593 2.703 14.579 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.919 4.321 14.569 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -4.483 5.058 16.550 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.665 1.004 15.980 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.695 4.326 18.064 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.882 0.269 17.500 1.00 0.00 H new ATOM 0 HH TYR A 85 -2.201 0.865 18.802 1.00 0.00 H new ATOM 1287 N LYS A 86 -7.788 6.410 15.402 1.00 0.00 N ATOM 1288 CA LYS A 86 -8.324 7.567 14.695 1.00 0.00 C ATOM 1289 C LYS A 86 -7.372 8.018 13.591 1.00 0.00 C ATOM 1290 O LYS A 86 -6.178 7.727 13.632 1.00 0.00 O ATOM 1291 CB LYS A 86 -8.570 8.719 15.672 1.00 0.00 C ATOM 1292 CG LYS A 86 -9.654 9.681 15.216 1.00 0.00 C ATOM 1293 CD LYS A 86 -11.038 9.073 15.364 1.00 0.00 C ATOM 1294 CE LYS A 86 -11.602 9.302 16.758 1.00 0.00 C ATOM 1295 NZ LYS A 86 -11.662 10.750 17.101 1.00 0.00 N ATOM 0 H LYS A 86 -7.089 6.636 16.109 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.271 7.277 14.239 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.845 8.308 16.643 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.641 9.271 15.811 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.595 10.600 15.799 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.485 9.954 14.174 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.709 9.508 14.623 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.990 8.003 15.161 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.602 8.872 16.820 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.985 8.781 17.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.399 10.907 17.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.742 11.056 17.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.887 11.300 16.247 1.00 0.00 H new ATOM 1309 N GLU A 87 -7.911 8.730 12.606 1.00 0.00 N ATOM 1310 CA GLU A 87 -7.109 9.221 11.491 1.00 0.00 C ATOM 1311 C GLU A 87 -5.996 10.141 11.986 1.00 0.00 C ATOM 1312 O GLU A 87 -4.909 10.181 11.411 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.992 9.964 10.487 1.00 0.00 C ATOM 1314 CG GLU A 87 -8.879 11.021 11.122 1.00 0.00 C ATOM 1315 CD GLU A 87 -10.226 10.472 11.551 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -10.487 9.277 11.295 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -11.018 11.235 12.142 1.00 0.00 O ATOM 0 H GLU A 87 -8.899 8.980 12.557 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.654 8.362 10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.357 10.437 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.619 9.242 9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.371 11.444 11.989 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.032 11.835 10.414 1.00 0.00 H new ATOM 1324 N GLU A 88 -6.278 10.879 13.055 1.00 0.00 N ATOM 1325 CA GLU A 88 -5.302 11.800 13.626 1.00 0.00 C ATOM 1326 C GLU A 88 -4.457 11.106 14.690 1.00 0.00 C ATOM 1327 O GLU A 88 -3.296 11.454 14.899 1.00 0.00 O ATOM 1328 CB GLU A 88 -6.008 13.015 14.231 1.00 0.00 C ATOM 1329 CG GLU A 88 -6.526 12.779 15.640 1.00 0.00 C ATOM 1330 CD GLU A 88 -7.046 14.046 16.290 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -7.526 14.935 15.556 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -6.974 14.149 17.533 1.00 0.00 O ATOM 0 H GLU A 88 -7.174 10.857 13.543 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.643 12.134 12.825 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.316 13.857 14.244 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.842 13.297 13.589 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.324 12.037 15.610 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.726 12.363 16.252 1.00 0.00 H new ATOM 1339 N GLU A 89 -5.051 10.123 15.361 1.00 0.00 N ATOM 1340 CA GLU A 89 -4.353 9.381 16.404 1.00 0.00 C ATOM 1341 C GLU A 89 -3.252 8.508 15.808 1.00 0.00 C ATOM 1342 O GLU A 89 -2.294 8.146 16.491 1.00 0.00 O ATOM 1343 CB GLU A 89 -5.338 8.513 17.190 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.671 7.408 17.991 1.00 0.00 C ATOM 1345 CD GLU A 89 -3.833 7.942 19.136 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -2.963 8.801 18.885 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -4.049 7.500 20.284 1.00 0.00 O ATOM 0 H GLU A 89 -6.013 9.823 15.201 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.894 10.102 17.081 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.908 9.148 17.868 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.051 8.068 16.496 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.435 6.739 18.386 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.040 6.815 17.329 1.00 0.00 H new ATOM 1354 N PHE A 90 -3.397 8.174 14.530 1.00 0.00 N ATOM 1355 CA PHE A 90 -2.417 7.342 13.842 1.00 0.00 C ATOM 1356 C PHE A 90 -1.567 8.179 12.889 1.00 0.00 C ATOM 1357 O PHE A 90 -1.990 9.241 12.434 1.00 0.00 O ATOM 1358 CB PHE A 90 -3.119 6.224 13.069 1.00 0.00 C ATOM 1359 CG PHE A 90 -2.179 5.174 12.548 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -1.444 5.395 11.394 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -2.030 3.967 13.212 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.579 4.431 10.912 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -1.166 2.999 12.734 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.439 3.232 11.583 1.00 0.00 C ATOM 0 H PHE A 90 -4.183 8.467 13.950 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.762 6.899 14.592 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.855 5.751 13.719 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.665 6.659 12.232 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.548 6.331 10.865 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.595 3.780 14.113 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.013 4.615 10.011 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.060 2.062 13.260 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.238 2.478 11.208 1.00 0.00 H new ATOM 1374 N ASN A 91 -0.367 7.690 12.592 1.00 0.00 N ATOM 1375 CA ASN A 91 0.543 8.393 11.695 1.00 0.00 C ATOM 1376 C ASN A 91 1.561 7.431 11.091 1.00 0.00 C ATOM 1377 O ASN A 91 2.155 6.616 11.798 1.00 0.00 O ATOM 1378 CB ASN A 91 1.265 9.515 12.443 1.00 0.00 C ATOM 1379 CG ASN A 91 0.399 10.748 12.613 1.00 0.00 C ATOM 1380 OD1 ASN A 91 -0.339 10.872 13.590 1.00 0.00 O ATOM 1381 ND2 ASN A 91 0.485 11.667 11.658 1.00 0.00 N ATOM 0 H ASN A 91 -0.003 6.811 12.959 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.046 8.826 10.886 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.574 9.154 13.424 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.172 9.784 11.902 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.075 12.518 11.717 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.111 11.522 10.866 1.00 0.00 H new ATOM 1388 N TRP A 92 1.758 7.532 9.782 1.00 0.00 N ATOM 1389 CA TRP A 92 2.706 6.671 9.083 1.00 0.00 C ATOM 1390 C TRP A 92 4.140 7.003 9.482 1.00 0.00 C ATOM 1391 O TRP A 92 4.792 6.229 10.182 1.00 0.00 O ATOM 1392 CB TRP A 92 2.538 6.816 7.570 1.00 0.00 C ATOM 1393 CG TRP A 92 1.554 5.847 6.986 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.334 6.142 6.448 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.708 4.427 6.882 1.00 0.00 C ATOM 1396 NE1 TRP A 92 -0.280 4.991 6.017 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.542 3.926 6.271 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.717 3.531 7.245 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.360 2.569 6.017 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.535 2.185 6.992 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.364 1.714 6.382 1.00 0.00 C ATOM 0 H TRP A 92 1.274 8.201 9.183 1.00 0.00 H new ATOM 0 HA TRP A 92 2.499 5.639 9.367 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.215 7.832 7.343 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.506 6.674 7.089 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -0.086 7.134 6.372 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -1.200 4.938 5.579 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.623 3.884 7.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.542 2.204 5.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.308 1.484 7.269 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.252 0.656 6.197 1.00 0.00 H new ATOM 1412 N GLN A 93 4.622 8.156 9.032 1.00 0.00 N ATOM 1413 CA GLN A 93 5.980 8.589 9.343 1.00 0.00 C ATOM 1414 C GLN A 93 6.350 8.229 10.778 1.00 0.00 C ATOM 1415 O GLN A 93 7.390 7.619 11.029 1.00 0.00 O ATOM 1416 CB GLN A 93 6.118 10.097 9.131 1.00 0.00 C ATOM 1417 CG GLN A 93 4.941 10.897 9.665 1.00 0.00 C ATOM 1418 CD GLN A 93 4.780 12.234 8.968 1.00 0.00 C ATOM 1419 OE1 GLN A 93 5.111 13.281 9.525 1.00 0.00 O ATOM 1420 NE2 GLN A 93 4.269 12.206 7.743 1.00 0.00 N ATOM 0 H GLN A 93 4.094 8.807 8.451 1.00 0.00 H new ATOM 0 HA GLN A 93 6.663 8.071 8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.031 10.442 9.617 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.229 10.297 8.065 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.027 10.316 9.544 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.074 11.063 10.734 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.008 11.315 7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.137 13.075 7.225 1.00 0.00 H new ATOM 1429 N THR A 94 5.493 8.612 11.720 1.00 0.00 N ATOM 1430 CA THR A 94 5.730 8.331 13.130 1.00 0.00 C ATOM 1431 C THR A 94 5.858 6.833 13.378 1.00 0.00 C ATOM 1432 O THR A 94 6.712 6.392 14.148 1.00 0.00 O ATOM 1433 CB THR A 94 4.600 8.892 14.013 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.324 10.250 13.652 1.00 0.00 O ATOM 1435 CG2 THR A 94 4.976 8.820 15.485 1.00 0.00 C ATOM 0 H THR A 94 4.628 9.118 11.531 1.00 0.00 H new ATOM 0 HA THR A 94 6.666 8.822 13.397 1.00 0.00 H new ATOM 0 HB THR A 94 3.709 8.285 13.852 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.603 10.599 14.217 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.162 9.222 16.088 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.156 7.782 15.764 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.879 9.405 15.659 1.00 0.00 H new ATOM 1443 N TYR A 95 5.005 6.054 12.723 1.00 0.00 N ATOM 1444 CA TYR A 95 5.021 4.604 12.874 1.00 0.00 C ATOM 1445 C TYR A 95 6.221 3.995 12.155 1.00 0.00 C ATOM 1446 O TYR A 95 6.693 2.915 12.515 1.00 0.00 O ATOM 1447 CB TYR A 95 3.726 3.999 12.331 1.00 0.00 C ATOM 1448 CG TYR A 95 3.683 2.489 12.411 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.362 1.807 13.413 1.00 0.00 C ATOM 1450 CD2 TYR A 95 2.961 1.746 11.485 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.326 0.429 13.489 1.00 0.00 C ATOM 1452 CE2 TYR A 95 2.918 0.367 11.555 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.602 -0.287 12.558 1.00 0.00 C ATOM 1454 OH TYR A 95 3.563 -1.661 12.632 1.00 0.00 O ATOM 0 H TYR A 95 4.293 6.403 12.081 1.00 0.00 H new ATOM 0 HA TYR A 95 5.103 4.376 13.937 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.883 4.408 12.887 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.600 4.303 11.292 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.928 2.364 14.145 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.425 2.255 10.698 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.862 -0.086 14.273 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.352 -0.196 10.828 1.00 0.00 H new ATOM 0 HH TYR A 95 2.835 -1.998 12.070 1.00 0.00 H new ATOM 1464 N LEU A 96 6.711 4.695 11.138 1.00 0.00 N ATOM 1465 CA LEU A 96 7.857 4.225 10.367 1.00 0.00 C ATOM 1466 C LEU A 96 9.166 4.637 11.032 1.00 0.00 C ATOM 1467 O LEU A 96 10.210 4.026 10.804 1.00 0.00 O ATOM 1468 CB LEU A 96 7.798 4.778 8.942 1.00 0.00 C ATOM 1469 CG LEU A 96 6.540 4.439 8.141 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.235 5.539 7.136 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.701 3.100 7.437 1.00 0.00 C ATOM 0 H LEU A 96 6.333 5.590 10.828 1.00 0.00 H new ATOM 0 HA LEU A 96 7.818 3.136 10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.892 5.863 8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.664 4.407 8.394 1.00 0.00 H new ATOM 0 HG LEU A 96 5.701 4.364 8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.337 5.281 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.076 6.480 7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.074 5.646 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.796 2.875 6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.552 3.146 6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.871 2.318 8.177 1.00 0.00 H new ATOM 1483 N LYS A 97 9.103 5.677 11.857 1.00 0.00 N ATOM 1484 CA LYS A 97 10.282 6.170 12.558 1.00 0.00 C ATOM 1485 C LYS A 97 10.485 5.424 13.873 1.00 0.00 C ATOM 1486 O LYS A 97 11.615 5.238 14.326 1.00 0.00 O ATOM 1487 CB LYS A 97 10.150 7.671 12.827 1.00 0.00 C ATOM 1488 CG LYS A 97 9.494 7.996 14.157 1.00 0.00 C ATOM 1489 CD LYS A 97 10.518 8.094 15.275 1.00 0.00 C ATOM 1490 CE LYS A 97 9.933 8.764 16.509 1.00 0.00 C ATOM 1491 NZ LYS A 97 9.961 10.249 16.400 1.00 0.00 N ATOM 0 H LYS A 97 8.247 6.195 12.056 1.00 0.00 H new ATOM 0 HA LYS A 97 11.151 5.995 11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.141 8.125 12.800 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.569 8.126 12.024 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.952 8.938 14.076 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.761 7.226 14.400 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.872 7.096 15.535 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.384 8.659 14.929 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.905 8.430 16.651 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.494 8.454 17.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.554 10.668 17.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.944 10.571 16.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.405 10.547 15.573 1.00 0.00 H new ATOM 1505 N THR A 98 9.383 4.996 14.482 1.00 0.00 N ATOM 1506 CA THR A 98 9.440 4.270 15.744 1.00 0.00 C ATOM 1507 C THR A 98 9.834 2.814 15.523 1.00 0.00 C ATOM 1508 O THR A 98 10.414 2.178 16.404 1.00 0.00 O ATOM 1509 CB THR A 98 8.088 4.317 16.481 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.219 3.736 17.783 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.017 3.576 15.695 1.00 0.00 C ATOM 0 H THR A 98 8.440 5.140 14.121 1.00 0.00 H new ATOM 0 HA THR A 98 10.197 4.760 16.356 1.00 0.00 H new ATOM 0 HB THR A 98 7.788 5.361 16.578 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.356 3.771 18.245 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.071 3.623 16.235 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.899 4.039 14.715 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.312 2.534 15.570 1.00 0.00 H new ATOM 1519 N CYS A 99 9.518 2.293 14.343 1.00 0.00 N ATOM 1520 CA CYS A 99 9.840 0.911 14.007 1.00 0.00 C ATOM 1521 C CYS A 99 11.127 0.835 13.192 1.00 0.00 C ATOM 1522 O CYS A 99 11.715 -0.236 13.037 1.00 0.00 O ATOM 1523 CB CYS A 99 8.690 0.272 13.226 1.00 0.00 C ATOM 1524 SG CYS A 99 8.454 0.956 11.569 1.00 0.00 S ATOM 0 H CYS A 99 9.039 2.806 13.603 1.00 0.00 H new ATOM 0 HA CYS A 99 9.987 0.362 14.937 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.873 -0.799 13.143 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.767 0.395 13.793 1.00 0.00 H new ATOM 0 HG CYS A 99 7.479 1.815 11.589 1.00 0.00 H new ATOM 1530 N LYS A 100 11.559 1.978 12.671 1.00 0.00 N ATOM 1531 CA LYS A 100 12.777 2.044 11.871 1.00 0.00 C ATOM 1532 C LYS A 100 12.611 1.274 10.565 1.00 0.00 C ATOM 1533 O LYS A 100 13.582 0.761 10.008 1.00 0.00 O ATOM 1534 CB LYS A 100 13.961 1.481 12.660 1.00 0.00 C ATOM 1535 CG LYS A 100 13.833 1.665 14.163 1.00 0.00 C ATOM 1536 CD LYS A 100 13.412 3.082 14.517 1.00 0.00 C ATOM 1537 CE LYS A 100 13.803 3.439 15.943 1.00 0.00 C ATOM 1538 NZ LYS A 100 15.280 3.430 16.132 1.00 0.00 N ATOM 0 H LYS A 100 11.083 2.873 12.788 1.00 0.00 H new ATOM 0 HA LYS A 100 12.971 3.090 11.634 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.061 0.418 12.440 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.877 1.965 12.320 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.102 0.958 14.556 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.786 1.437 14.641 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.876 3.784 13.825 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.333 3.183 14.398 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.411 4.426 16.191 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.344 2.731 16.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.535 4.081 16.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 15.593 2.468 16.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.744 3.734 15.253 1.00 0.00 H new ATOM 1552 N ALA A 101 11.376 1.198 10.080 1.00 0.00 N ATOM 1553 CA ALA A 101 11.084 0.493 8.838 1.00 0.00 C ATOM 1554 C ALA A 101 10.924 1.470 7.678 1.00 0.00 C ATOM 1555 O ALA A 101 10.927 2.685 7.874 1.00 0.00 O ATOM 1556 CB ALA A 101 9.831 -0.355 8.994 1.00 0.00 C ATOM 0 H ALA A 101 10.561 1.616 10.529 1.00 0.00 H new ATOM 0 HA ALA A 101 11.926 -0.162 8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.625 -0.876 8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.982 -1.084 9.790 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.986 0.287 9.246 1.00 0.00 H new ATOM 1562 N GLN A 102 10.784 0.931 6.471 1.00 0.00 N ATOM 1563 CA GLN A 102 10.624 1.756 5.280 1.00 0.00 C ATOM 1564 C GLN A 102 9.370 1.359 4.507 1.00 0.00 C ATOM 1565 O GLN A 102 9.066 0.175 4.366 1.00 0.00 O ATOM 1566 CB GLN A 102 11.853 1.632 4.378 1.00 0.00 C ATOM 1567 CG GLN A 102 13.100 2.281 4.957 1.00 0.00 C ATOM 1568 CD GLN A 102 14.279 2.234 4.005 1.00 0.00 C ATOM 1569 OE1 GLN A 102 15.154 1.377 4.125 1.00 0.00 O ATOM 1570 NE2 GLN A 102 14.307 3.157 3.051 1.00 0.00 N ATOM 0 H GLN A 102 10.778 -0.073 6.292 1.00 0.00 H new ATOM 0 HA GLN A 102 10.520 2.793 5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.054 0.576 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.632 2.086 3.412 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.882 3.319 5.208 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.368 1.778 5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.560 3.849 2.989 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.075 3.174 2.380 1.00 0.00 H new ATOM 1579 N ALA A 103 8.647 2.357 4.010 1.00 0.00 N ATOM 1580 CA ALA A 103 7.427 2.112 3.251 1.00 0.00 C ATOM 1581 C ALA A 103 7.746 1.617 1.844 1.00 0.00 C ATOM 1582 O ALA A 103 8.638 2.143 1.179 1.00 0.00 O ATOM 1583 CB ALA A 103 6.581 3.375 3.189 1.00 0.00 C ATOM 0 H ALA A 103 8.885 3.343 4.119 1.00 0.00 H new ATOM 0 HA ALA A 103 6.861 1.334 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.673 3.177 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.315 3.685 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.148 4.169 2.704 1.00 0.00 H new ATOM 1589 N ALA A 104 7.013 0.603 1.398 1.00 0.00 N ATOM 1590 CA ALA A 104 7.217 0.038 0.070 1.00 0.00 C ATOM 1591 C ALA A 104 7.466 1.135 -0.961 1.00 0.00 C ATOM 1592 O ALA A 104 7.006 2.268 -0.819 1.00 0.00 O ATOM 1593 CB ALA A 104 6.019 -0.807 -0.335 1.00 0.00 C ATOM 0 H ALA A 104 6.272 0.155 1.937 1.00 0.00 H new ATOM 0 HA ALA A 104 8.101 -0.599 0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.186 -1.222 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.888 -1.619 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.123 -0.186 -0.347 1.00 0.00 H new ATOM 1599 N PRO A 105 8.211 0.793 -2.022 1.00 0.00 N ATOM 1600 CA PRO A 105 8.537 1.735 -3.097 1.00 0.00 C ATOM 1601 C PRO A 105 7.320 2.094 -3.943 1.00 0.00 C ATOM 1602 O PRO A 105 6.395 1.294 -4.089 1.00 0.00 O ATOM 1603 CB PRO A 105 9.566 0.974 -3.936 1.00 0.00 C ATOM 1604 CG PRO A 105 9.277 -0.464 -3.677 1.00 0.00 C ATOM 1605 CD PRO A 105 8.792 -0.540 -2.255 1.00 0.00 C ATOM 0 HA PRO A 105 8.903 2.685 -2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.468 1.213 -4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.584 1.232 -3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.522 -0.841 -4.367 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.170 -1.073 -3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.052 -1.330 -2.124 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.607 -0.750 -1.563 1.00 0.00 H new ATOM 1613 N LYS A 106 7.326 3.300 -4.499 1.00 0.00 N ATOM 1614 CA LYS A 106 6.224 3.765 -5.333 1.00 0.00 C ATOM 1615 C LYS A 106 6.270 3.111 -6.710 1.00 0.00 C ATOM 1616 O LYS A 106 5.287 3.131 -7.451 1.00 0.00 O ATOM 1617 CB LYS A 106 6.274 5.288 -5.478 1.00 0.00 C ATOM 1618 CG LYS A 106 7.523 5.791 -6.181 1.00 0.00 C ATOM 1619 CD LYS A 106 7.263 7.098 -6.911 1.00 0.00 C ATOM 1620 CE LYS A 106 8.371 7.411 -7.905 1.00 0.00 C ATOM 1621 NZ LYS A 106 9.531 8.076 -7.251 1.00 0.00 N ATOM 0 H LYS A 106 8.083 3.974 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 106 5.290 3.483 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.396 5.621 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.217 5.741 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.320 5.933 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.870 5.040 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 106 6.309 7.040 -7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.181 7.910 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.703 6.488 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.981 8.055 -8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.264 8.273 -7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.220 8.969 -6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.920 7.452 -6.516 1.00 0.00 H new ATOM 1635 N SER A 107 7.417 2.529 -7.046 1.00 0.00 N ATOM 1636 CA SER A 107 7.591 1.870 -8.335 1.00 0.00 C ATOM 1637 C SER A 107 6.677 0.655 -8.452 1.00 0.00 C ATOM 1638 O SER A 107 6.189 0.333 -9.536 1.00 0.00 O ATOM 1639 CB SER A 107 9.049 1.446 -8.522 1.00 0.00 C ATOM 1640 OG SER A 107 9.811 2.485 -9.112 1.00 0.00 O ATOM 0 H SER A 107 8.239 2.501 -6.443 1.00 0.00 H new ATOM 0 HA SER A 107 7.323 2.580 -9.117 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.480 1.178 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.094 0.556 -9.150 1.00 0.00 H new ATOM 0 HG SER A 107 10.739 2.190 -9.219 1.00 0.00 H new ATOM 1646 N LEU A 108 6.450 -0.017 -7.329 1.00 0.00 N ATOM 1647 CA LEU A 108 5.593 -1.198 -7.303 1.00 0.00 C ATOM 1648 C LEU A 108 4.187 -0.861 -7.788 1.00 0.00 C ATOM 1649 O LEU A 108 3.418 -1.749 -8.157 1.00 0.00 O ATOM 1650 CB LEU A 108 5.533 -1.777 -5.889 1.00 0.00 C ATOM 1651 CG LEU A 108 6.696 -2.684 -5.484 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.577 -3.085 -4.022 1.00 0.00 C ATOM 1653 CD2 LEU A 108 6.745 -3.917 -6.375 1.00 0.00 C ATOM 0 H LEU A 108 6.847 0.235 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 108 6.020 -1.942 -7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.480 -0.950 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.606 -2.342 -5.788 1.00 0.00 H new ATOM 0 HG LEU A 108 7.626 -2.130 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.413 -3.730 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.592 -2.192 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.641 -3.621 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.578 -4.551 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.812 -4.473 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.879 -3.611 -7.413 1.00 0.00 H new ATOM 1665 N PHE A 109 3.858 0.426 -7.786 1.00 0.00 N ATOM 1666 CA PHE A 109 2.544 0.880 -8.226 1.00 0.00 C ATOM 1667 C PHE A 109 2.660 1.752 -9.474 1.00 0.00 C ATOM 1668 O PHE A 109 2.230 2.904 -9.480 1.00 0.00 O ATOM 1669 CB PHE A 109 1.849 1.661 -7.109 1.00 0.00 C ATOM 1670 CG PHE A 109 2.015 1.039 -5.751 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.193 1.201 -5.040 1.00 0.00 C ATOM 1672 CD2 PHE A 109 0.993 0.293 -5.187 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.348 0.630 -3.791 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.142 -0.281 -3.938 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.321 -0.111 -3.239 1.00 0.00 C ATOM 0 H PHE A 109 4.483 1.173 -7.485 1.00 0.00 H new ATOM 0 HA PHE A 109 1.947 0.001 -8.471 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.245 2.676 -7.086 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.786 1.738 -7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.999 1.780 -5.466 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.069 0.158 -5.729 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.271 0.763 -3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.338 -0.861 -3.510 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.440 -0.557 -2.262 1.00 0.00 H new ATOM 1685 N GLU A 110 3.245 1.191 -10.528 1.00 0.00 N ATOM 1686 CA GLU A 110 3.419 1.917 -11.780 1.00 0.00 C ATOM 1687 C GLU A 110 2.277 1.616 -12.747 1.00 0.00 C ATOM 1688 O GLU A 110 1.727 2.520 -13.375 1.00 0.00 O ATOM 1689 CB GLU A 110 4.758 1.552 -12.426 1.00 0.00 C ATOM 1690 CG GLU A 110 5.939 2.313 -11.849 1.00 0.00 C ATOM 1691 CD GLU A 110 7.270 1.811 -12.375 1.00 0.00 C ATOM 1692 OE1 GLU A 110 7.350 0.620 -12.742 1.00 0.00 O ATOM 1693 OE2 GLU A 110 8.230 2.608 -12.419 1.00 0.00 O ATOM 0 H GLU A 110 3.606 0.237 -10.539 1.00 0.00 H new ATOM 0 HA GLU A 110 3.411 2.984 -11.555 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.931 0.483 -12.304 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.700 1.746 -13.497 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.835 3.372 -12.086 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.926 2.227 -10.762 1.00 0.00 H new ATOM 1700 N ASN A 111 1.927 0.339 -12.860 1.00 0.00 N ATOM 1701 CA ASN A 111 0.852 -0.082 -13.751 1.00 0.00 C ATOM 1702 C ASN A 111 -0.492 0.462 -13.276 1.00 0.00 C ATOM 1703 O ASN A 111 -1.285 -0.258 -12.670 1.00 0.00 O ATOM 1704 CB ASN A 111 0.796 -1.609 -13.831 1.00 0.00 C ATOM 1705 CG ASN A 111 2.128 -2.216 -14.228 1.00 0.00 C ATOM 1706 OD1 ASN A 111 3.059 -2.278 -13.424 1.00 0.00 O ATOM 1707 ND2 ASN A 111 2.225 -2.666 -15.473 1.00 0.00 N ATOM 0 H ASN A 111 2.372 -0.422 -12.346 1.00 0.00 H new ATOM 0 HA ASN A 111 1.058 0.320 -14.743 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.491 -2.010 -12.864 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.035 -1.905 -14.553 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.097 -3.084 -15.798 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.428 -2.594 -16.105 1.00 0.00 H new