USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 676 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.004 USER MOD Single : A 14 SER OG : rot 180:sc= -0.153 USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= 0.0114 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 1.09 K(o=1.1,f=-1.2) USER MOD Single : A 20 THR OG1 : rot 75:sc= -4! USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 24 SER OG : rot 42:sc= -0.276 USER MOD Single : A 25 MET CE :methyl 158:sc= -0.281 (180deg=-1.18) USER MOD Single : A 27 MET CE :methyl 156:sc= -0.182 (180deg=-0.857) USER MOD Single : A 28 THR OG1 : rot -170:sc= -0.0847 USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= -0.156 (180deg=-0.593) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00702 USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 0.383 (180deg=0.168) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.372 K(o=-0.37,f=-4.6!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.002 USER MOD Single : A 45 ASN : amide:sc= 1.11 K(o=1.1,f=-0.04) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -92:sc= 1.33 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0526 USER MOD Single : A 63 HIS : no HE2:sc= 0.318 K(o=0.32,f=-2.4!) USER MOD Single : A 65 TYR OH : rot 165:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 148:sc= 1.08 (180deg=-1.15) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 110:sc= 1.23 USER MOD Single : A 86 THR OG1 : rot -86:sc= 1.21 USER MOD Single : A 88 GLN : amide:sc= 1.09 K(o=1.1,f=-0.23) USER MOD Single : A 91 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-0.66) USER MOD Single : A 92 HIS : no HD1:sc= -1.12 K(o=-1.1,f=0.34) USER MOD ----------------------------------------------------------------- ATOM 111 N ASP A 8 -15.577 3.589 -11.786 1.00 0.00 N ATOM 112 CA ASP A 8 -14.990 2.810 -10.704 1.00 0.00 C ATOM 113 C ASP A 8 -13.840 1.933 -11.210 1.00 0.00 C ATOM 114 O ASP A 8 -14.007 0.738 -11.465 1.00 0.00 O ATOM 115 CB ASP A 8 -16.063 1.964 -9.998 1.00 0.00 C ATOM 116 CG ASP A 8 -16.875 1.102 -10.950 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.721 1.653 -11.678 1.00 0.00 O ATOM 118 OD2 ASP A 8 -16.681 -0.137 -10.954 1.00 0.00 O ATOM 0 HA ASP A 8 -14.575 3.507 -9.976 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.582 1.323 -9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.737 2.626 -9.454 1.00 0.00 H new ATOM 123 N PRO A 9 -12.649 2.525 -11.376 1.00 0.00 N ATOM 124 CA PRO A 9 -11.478 1.822 -11.880 1.00 0.00 C ATOM 125 C PRO A 9 -10.636 1.197 -10.768 1.00 0.00 C ATOM 126 O PRO A 9 -10.914 1.378 -9.576 1.00 0.00 O ATOM 127 CB PRO A 9 -10.706 2.943 -12.570 1.00 0.00 C ATOM 128 CG PRO A 9 -11.004 4.164 -11.761 1.00 0.00 C ATOM 129 CD PRO A 9 -12.343 3.939 -11.093 1.00 0.00 C ATOM 0 HA PRO A 9 -11.740 0.983 -12.525 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.637 2.733 -12.590 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.026 3.066 -13.605 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.226 4.332 -11.017 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.034 5.049 -12.396 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.291 4.129 -10.021 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.108 4.602 -11.498 1.00 0.00 H new ATOM 137 N THR A 10 -9.613 0.455 -11.164 1.00 0.00 N ATOM 138 CA THR A 10 -8.681 -0.137 -10.222 1.00 0.00 C ATOM 139 C THR A 10 -7.347 0.599 -10.285 1.00 0.00 C ATOM 140 O THR A 10 -6.728 0.690 -11.347 1.00 0.00 O ATOM 141 CB THR A 10 -8.460 -1.634 -10.515 1.00 0.00 C ATOM 142 OG1 THR A 10 -9.715 -2.331 -10.492 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.516 -2.255 -9.494 1.00 0.00 C ATOM 0 H THR A 10 -9.408 0.248 -12.142 1.00 0.00 H new ATOM 0 HA THR A 10 -9.108 -0.045 -9.223 1.00 0.00 H new ATOM 0 HB THR A 10 -8.011 -1.722 -11.504 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.565 -3.281 -10.681 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.377 -3.312 -9.723 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.553 -1.745 -9.532 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.942 -2.153 -8.496 1.00 0.00 H new ATOM 151 N LEU A 11 -6.914 1.133 -9.156 1.00 0.00 N ATOM 152 CA LEU A 11 -5.694 1.918 -9.102 1.00 0.00 C ATOM 153 C LEU A 11 -4.564 1.120 -8.480 1.00 0.00 C ATOM 154 O LEU A 11 -4.704 0.559 -7.394 1.00 0.00 O ATOM 155 CB LEU A 11 -5.931 3.200 -8.309 1.00 0.00 C ATOM 156 CG LEU A 11 -7.049 4.082 -8.856 1.00 0.00 C ATOM 157 CD1 LEU A 11 -7.346 5.228 -7.901 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.684 4.613 -10.233 1.00 0.00 C ATOM 0 H LEU A 11 -7.392 1.036 -8.260 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.408 2.177 -10.121 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.164 2.937 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.006 3.777 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.949 3.475 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.146 5.845 -8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.655 4.827 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.450 5.835 -7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.493 5.240 -10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.770 5.203 -10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.527 3.778 -10.915 1.00 0.00 H new ATOM 170 N THR A 12 -3.452 1.062 -9.183 1.00 0.00 N ATOM 171 CA THR A 12 -2.277 0.365 -8.694 1.00 0.00 C ATOM 172 C THR A 12 -1.264 1.366 -8.141 1.00 0.00 C ATOM 173 O THR A 12 -0.624 2.102 -8.896 1.00 0.00 O ATOM 174 CB THR A 12 -1.633 -0.478 -9.809 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.642 -1.270 -10.453 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.554 -1.391 -9.249 1.00 0.00 C ATOM 0 H THR A 12 -3.336 1.492 -10.101 1.00 0.00 H new ATOM 0 HA THR A 12 -2.588 -0.307 -7.894 1.00 0.00 H new ATOM 0 HB THR A 12 -1.173 0.198 -10.529 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.233 -1.806 -11.164 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.116 -1.975 -10.058 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.221 -0.790 -8.774 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.993 -2.064 -8.512 1.00 0.00 H new ATOM 184 N LEU A 13 -1.138 1.399 -6.822 1.00 0.00 N ATOM 185 CA LEU A 13 -0.269 2.362 -6.160 1.00 0.00 C ATOM 186 C LEU A 13 0.966 1.666 -5.603 1.00 0.00 C ATOM 187 O LEU A 13 0.909 0.497 -5.227 1.00 0.00 O ATOM 188 CB LEU A 13 -1.022 3.065 -5.026 1.00 0.00 C ATOM 189 CG LEU A 13 -2.361 3.696 -5.419 1.00 0.00 C ATOM 190 CD1 LEU A 13 -3.012 4.353 -4.213 1.00 0.00 C ATOM 191 CD2 LEU A 13 -2.174 4.708 -6.538 1.00 0.00 C ATOM 0 H LEU A 13 -1.628 0.768 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 13 0.044 3.105 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.200 2.343 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.380 3.843 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.017 2.905 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.963 4.797 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.186 3.604 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.355 5.130 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.138 5.143 -6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.499 5.497 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.751 4.211 -7.411 1.00 0.00 H new ATOM 203 N SER A 14 2.078 2.379 -5.554 1.00 0.00 N ATOM 204 CA SER A 14 3.306 1.826 -5.007 1.00 0.00 C ATOM 205 C SER A 14 3.313 1.941 -3.484 1.00 0.00 C ATOM 206 O SER A 14 2.849 2.938 -2.927 1.00 0.00 O ATOM 207 CB SER A 14 4.515 2.544 -5.609 1.00 0.00 C ATOM 208 OG SER A 14 4.362 3.951 -5.533 1.00 0.00 O ATOM 0 H SER A 14 2.156 3.340 -5.886 1.00 0.00 H new ATOM 0 HA SER A 14 3.363 0.769 -5.267 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.420 2.244 -5.081 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.639 2.244 -6.650 1.00 0.00 H new ATOM 0 HG SER A 14 5.148 4.387 -5.923 1.00 0.00 H new ATOM 214 N LEU A 15 3.827 0.913 -2.822 1.00 0.00 N ATOM 215 CA LEU A 15 3.883 0.882 -1.368 1.00 0.00 C ATOM 216 C LEU A 15 5.192 1.489 -0.870 1.00 0.00 C ATOM 217 O LEU A 15 6.264 1.179 -1.393 1.00 0.00 O ATOM 218 CB LEU A 15 3.753 -0.564 -0.877 1.00 0.00 C ATOM 219 CG LEU A 15 3.673 -0.744 0.639 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.396 -0.126 1.183 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.751 -2.219 1.001 1.00 0.00 C ATOM 0 H LEU A 15 4.214 0.084 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 15 3.057 1.472 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.860 -1.001 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.606 -1.132 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 15 4.521 -0.232 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.357 -0.264 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.380 0.939 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.534 -0.609 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.693 -2.332 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.922 -2.752 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.694 -2.632 0.644 1.00 0.00 H new ATOM 233 N ILE A 16 5.100 2.368 0.120 1.00 0.00 N ATOM 234 CA ILE A 16 6.280 2.986 0.711 1.00 0.00 C ATOM 235 C ILE A 16 6.421 2.601 2.181 1.00 0.00 C ATOM 236 O ILE A 16 5.439 2.249 2.843 1.00 0.00 O ATOM 237 CB ILE A 16 6.247 4.529 0.598 1.00 0.00 C ATOM 238 CG1 ILE A 16 5.055 5.105 1.371 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.197 4.955 -0.864 1.00 0.00 C ATOM 240 CD1 ILE A 16 5.046 6.618 1.455 1.00 0.00 C ATOM 0 H ILE A 16 4.217 2.670 0.532 1.00 0.00 H new ATOM 0 HA ILE A 16 7.137 2.614 0.149 1.00 0.00 H new ATOM 0 HB ILE A 16 7.161 4.925 1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.132 4.773 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.058 4.696 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.174 6.043 -0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.080 4.581 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.301 4.546 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.172 6.946 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.950 6.960 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.010 7.038 0.450 1.00 0.00 H new ATOM 252 N ALA A 17 7.647 2.664 2.678 1.00 0.00 N ATOM 253 CA ALA A 17 7.932 2.372 4.074 1.00 0.00 C ATOM 254 C ALA A 17 7.714 3.614 4.927 1.00 0.00 C ATOM 255 O ALA A 17 8.464 4.586 4.825 1.00 0.00 O ATOM 256 CB ALA A 17 9.358 1.866 4.218 1.00 0.00 C ATOM 0 H ALA A 17 8.468 2.918 2.128 1.00 0.00 H new ATOM 0 HA ALA A 17 7.251 1.595 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.563 1.650 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.483 0.957 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.052 2.627 3.862 1.00 0.00 H new ATOM 262 N LYS A 18 6.679 3.594 5.753 1.00 0.00 N ATOM 263 CA LYS A 18 6.362 4.742 6.585 1.00 0.00 C ATOM 264 C LYS A 18 6.736 4.470 8.035 1.00 0.00 C ATOM 265 O LYS A 18 6.501 3.373 8.547 1.00 0.00 O ATOM 266 CB LYS A 18 4.875 5.084 6.492 1.00 0.00 C ATOM 267 CG LYS A 18 4.504 6.351 7.245 1.00 0.00 C ATOM 268 CD LYS A 18 3.003 6.552 7.296 1.00 0.00 C ATOM 269 CE LYS A 18 2.643 7.847 8.002 1.00 0.00 C ATOM 270 NZ LYS A 18 1.174 7.995 8.161 1.00 0.00 N ATOM 0 H LYS A 18 6.048 2.800 5.864 1.00 0.00 H new ATOM 0 HA LYS A 18 6.941 5.591 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.600 5.198 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.292 4.251 6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.899 6.301 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.970 7.211 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.601 6.564 6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.539 5.712 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.120 7.872 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.035 8.692 7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.908 8.990 8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.687 7.403 7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.896 7.696 9.117 1.00 0.00 H new ATOM 284 N ASN A 19 7.338 5.473 8.676 1.00 0.00 N ATOM 285 CA ASN A 19 7.708 5.404 10.095 1.00 0.00 C ATOM 286 C ASN A 19 8.735 4.308 10.353 1.00 0.00 C ATOM 287 O ASN A 19 8.971 3.925 11.496 1.00 0.00 O ATOM 288 CB ASN A 19 6.469 5.183 10.974 1.00 0.00 C ATOM 289 CG ASN A 19 5.562 6.398 11.019 1.00 0.00 C ATOM 290 OD1 ASN A 19 6.017 7.533 10.874 1.00 0.00 O ATOM 291 ND2 ASN A 19 4.273 6.176 11.216 1.00 0.00 N ATOM 0 H ASN A 19 7.584 6.356 8.229 1.00 0.00 H new ATOM 0 HA ASN A 19 8.159 6.361 10.358 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.907 4.329 10.596 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.786 4.933 11.986 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.620 6.959 11.252 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.932 5.222 11.332 1.00 0.00 H new ATOM 298 N THR A 20 9.368 3.845 9.286 1.00 0.00 N ATOM 299 CA THR A 20 10.319 2.750 9.364 1.00 0.00 C ATOM 300 C THR A 20 11.642 3.206 9.987 1.00 0.00 C ATOM 301 O THR A 20 12.324 4.080 9.444 1.00 0.00 O ATOM 302 CB THR A 20 10.568 2.175 7.961 1.00 0.00 C ATOM 303 OG1 THR A 20 9.306 1.932 7.331 1.00 0.00 O ATOM 304 CG2 THR A 20 11.369 0.882 8.026 1.00 0.00 C ATOM 0 H THR A 20 9.237 4.217 8.345 1.00 0.00 H new ATOM 0 HA THR A 20 9.895 1.976 10.004 1.00 0.00 H new ATOM 0 HB THR A 20 11.147 2.896 7.384 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.913 2.783 7.046 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.528 0.501 7.017 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.333 1.074 8.497 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.821 0.143 8.610 1.00 0.00 H new ATOM 312 N PRO A 21 12.004 2.631 11.147 1.00 0.00 N ATOM 313 CA PRO A 21 13.235 2.978 11.861 1.00 0.00 C ATOM 314 C PRO A 21 14.480 2.403 11.190 1.00 0.00 C ATOM 315 O PRO A 21 14.390 1.601 10.258 1.00 0.00 O ATOM 316 CB PRO A 21 13.048 2.350 13.252 1.00 0.00 C ATOM 317 CG PRO A 21 11.642 1.844 13.291 1.00 0.00 C ATOM 318 CD PRO A 21 11.245 1.603 11.866 1.00 0.00 C ATOM 0 HA PRO A 21 13.390 4.057 11.885 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.759 1.539 13.413 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.220 3.085 14.038 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.575 0.926 13.874 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.980 2.570 13.762 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.509 0.598 11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.171 1.715 11.720 1.00 0.00 H new ATOM 326 N ALA A 22 15.645 2.790 11.694 1.00 0.00 N ATOM 327 CA ALA A 22 16.912 2.341 11.137 1.00 0.00 C ATOM 328 C ALA A 22 17.305 0.988 11.720 1.00 0.00 C ATOM 329 O ALA A 22 18.283 0.377 11.299 1.00 0.00 O ATOM 330 CB ALA A 22 18.002 3.371 11.395 1.00 0.00 C ATOM 0 H ALA A 22 15.737 3.418 12.493 1.00 0.00 H new ATOM 0 HA ALA A 22 16.793 2.228 10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.943 3.019 10.972 1.00 0.00 H new ATOM 0 HB2 ALA A 22 17.726 4.317 10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.119 3.516 12.469 1.00 0.00 H new ATOM 336 N ASN A 23 16.525 0.528 12.689 1.00 0.00 N ATOM 337 CA ASN A 23 16.753 -0.773 13.314 1.00 0.00 C ATOM 338 C ASN A 23 16.244 -1.893 12.418 1.00 0.00 C ATOM 339 O ASN A 23 16.490 -3.071 12.673 1.00 0.00 O ATOM 340 CB ASN A 23 16.048 -0.852 14.673 1.00 0.00 C ATOM 341 CG ASN A 23 16.677 0.040 15.726 1.00 0.00 C ATOM 342 OD1 ASN A 23 17.890 0.261 15.732 1.00 0.00 O ATOM 343 ND2 ASN A 23 15.856 0.560 16.627 1.00 0.00 N ATOM 0 H ASN A 23 15.724 1.038 13.063 1.00 0.00 H new ATOM 0 HA ASN A 23 17.827 -0.889 13.461 1.00 0.00 H new ATOM 0 HB2 ASN A 23 15.001 -0.574 14.549 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.064 -1.884 15.024 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.222 1.168 17.360 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.858 0.353 16.587 1.00 0.00 H new ATOM 350 N SER A 24 15.537 -1.519 11.365 1.00 0.00 N ATOM 351 CA SER A 24 14.925 -2.486 10.479 1.00 0.00 C ATOM 352 C SER A 24 15.265 -2.186 9.026 1.00 0.00 C ATOM 353 O SER A 24 15.115 -1.055 8.564 1.00 0.00 O ATOM 354 CB SER A 24 13.408 -2.476 10.685 1.00 0.00 C ATOM 355 OG SER A 24 12.906 -1.149 10.693 1.00 0.00 O ATOM 0 H SER A 24 15.374 -0.546 11.105 1.00 0.00 H new ATOM 0 HA SER A 24 15.316 -3.476 10.715 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.926 -3.047 9.891 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.162 -2.968 11.626 1.00 0.00 H new ATOM 0 HG SER A 24 13.341 -0.630 9.985 1.00 0.00 H new ATOM 361 N MET A 25 15.747 -3.193 8.320 1.00 0.00 N ATOM 362 CA MET A 25 16.015 -3.068 6.897 1.00 0.00 C ATOM 363 C MET A 25 15.080 -3.987 6.127 1.00 0.00 C ATOM 364 O MET A 25 14.826 -5.105 6.555 1.00 0.00 O ATOM 365 CB MET A 25 17.473 -3.419 6.595 1.00 0.00 C ATOM 366 CG MET A 25 17.837 -3.300 5.125 1.00 0.00 C ATOM 367 SD MET A 25 19.554 -3.739 4.796 1.00 0.00 S ATOM 368 CE MET A 25 19.574 -5.451 5.331 1.00 0.00 C ATOM 0 H MET A 25 15.962 -4.111 8.710 1.00 0.00 H new ATOM 0 HA MET A 25 15.843 -2.037 6.588 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.123 -2.764 7.175 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.669 -4.438 6.927 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.183 -3.946 4.539 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.657 -2.278 4.792 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.403 -5.972 4.853 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.695 -5.493 6.413 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.635 -5.930 5.052 1.00 0.00 H new ATOM 378 N ILE A 26 14.557 -3.511 5.011 1.00 0.00 N ATOM 379 CA ILE A 26 13.610 -4.295 4.231 1.00 0.00 C ATOM 380 C ILE A 26 14.242 -4.744 2.916 1.00 0.00 C ATOM 381 O ILE A 26 14.324 -3.963 1.965 1.00 0.00 O ATOM 382 CB ILE A 26 12.337 -3.486 3.910 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.904 -2.653 5.118 1.00 0.00 C ATOM 384 CG2 ILE A 26 11.214 -4.424 3.486 1.00 0.00 C ATOM 385 CD1 ILE A 26 10.749 -1.722 4.825 1.00 0.00 C ATOM 0 H ILE A 26 14.769 -2.591 4.624 1.00 0.00 H new ATOM 0 HA ILE A 26 13.340 -5.163 4.833 1.00 0.00 H new ATOM 0 HB ILE A 26 12.559 -2.805 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.623 -3.324 5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.753 -2.067 5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.320 -3.843 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.519 -4.978 2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.999 -5.123 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.495 -1.163 5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.033 -1.027 4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.885 -2.304 4.503 1.00 0.00 H new ATOM 397 N MET A 27 14.715 -5.984 2.864 1.00 0.00 N ATOM 398 CA MET A 27 15.260 -6.528 1.623 1.00 0.00 C ATOM 399 C MET A 27 14.137 -7.031 0.727 1.00 0.00 C ATOM 400 O MET A 27 14.336 -7.271 -0.466 1.00 0.00 O ATOM 401 CB MET A 27 16.263 -7.650 1.895 1.00 0.00 C ATOM 402 CG MET A 27 17.494 -7.193 2.660 1.00 0.00 C ATOM 403 SD MET A 27 18.782 -8.453 2.729 1.00 0.00 S ATOM 404 CE MET A 27 19.228 -8.570 0.998 1.00 0.00 C ATOM 0 H MET A 27 14.733 -6.626 3.656 1.00 0.00 H new ATOM 0 HA MET A 27 15.789 -5.724 1.112 1.00 0.00 H new ATOM 0 HB2 MET A 27 15.767 -8.440 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 27 16.576 -8.084 0.946 1.00 0.00 H new ATOM 0 HG2 MET A 27 17.895 -6.295 2.190 1.00 0.00 H new ATOM 0 HG3 MET A 27 17.205 -6.920 3.675 1.00 0.00 H new ATOM 0 HE1 MET A 27 20.245 -8.952 0.909 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.541 -9.246 0.490 1.00 0.00 H new ATOM 0 HE3 MET A 27 19.170 -7.583 0.540 1.00 0.00 H new ATOM 414 N THR A 28 12.958 -7.192 1.309 1.00 0.00 N ATOM 415 CA THR A 28 11.774 -7.537 0.543 1.00 0.00 C ATOM 416 C THR A 28 11.200 -6.280 -0.100 1.00 0.00 C ATOM 417 O THR A 28 10.624 -5.435 0.584 1.00 0.00 O ATOM 418 CB THR A 28 10.708 -8.205 1.434 1.00 0.00 C ATOM 419 OG1 THR A 28 11.249 -9.390 2.035 1.00 0.00 O ATOM 420 CG2 THR A 28 9.463 -8.564 0.631 1.00 0.00 C ATOM 0 H THR A 28 12.798 -7.089 2.311 1.00 0.00 H new ATOM 0 HA THR A 28 12.060 -8.249 -0.231 1.00 0.00 H new ATOM 0 HB THR A 28 10.423 -7.494 2.210 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.530 -9.894 2.470 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.730 -9.033 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.036 -7.659 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.732 -9.256 -0.167 1.00 0.00 H new ATOM 428 N LYS A 29 11.382 -6.151 -1.407 1.00 0.00 N ATOM 429 CA LYS A 29 10.968 -4.951 -2.115 1.00 0.00 C ATOM 430 C LYS A 29 9.457 -4.770 -2.046 1.00 0.00 C ATOM 431 O LYS A 29 8.695 -5.655 -2.444 1.00 0.00 O ATOM 432 CB LYS A 29 11.439 -4.992 -3.570 1.00 0.00 C ATOM 433 CG LYS A 29 11.133 -3.718 -4.338 1.00 0.00 C ATOM 434 CD LYS A 29 11.902 -3.653 -5.646 1.00 0.00 C ATOM 435 CE LYS A 29 11.662 -2.336 -6.365 1.00 0.00 C ATOM 436 NZ LYS A 29 11.895 -1.164 -5.478 1.00 0.00 N ATOM 0 H LYS A 29 11.813 -6.863 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 29 11.434 -4.095 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.514 -5.171 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.965 -5.834 -4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.064 -3.664 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.385 -2.853 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.967 -3.773 -5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.601 -4.480 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.320 -2.271 -7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.639 -2.309 -6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.253 -0.367 -6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.001 -0.891 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.594 -1.414 -4.749 1.00 0.00 H new ATOM 450 N LEU A 30 9.043 -3.621 -1.527 1.00 0.00 N ATOM 451 CA LEU A 30 7.632 -3.304 -1.364 1.00 0.00 C ATOM 452 C LEU A 30 6.933 -3.268 -2.718 1.00 0.00 C ATOM 453 O LEU A 30 7.289 -2.470 -3.588 1.00 0.00 O ATOM 454 CB LEU A 30 7.477 -1.956 -0.658 1.00 0.00 C ATOM 455 CG LEU A 30 8.147 -1.863 0.715 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.056 -0.446 1.254 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.512 -2.841 1.692 1.00 0.00 C ATOM 0 H LEU A 30 9.674 -2.886 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 30 7.169 -4.081 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.889 -1.177 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.414 -1.744 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 30 9.198 -2.127 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.537 -0.397 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.557 0.237 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.009 -0.160 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.004 -2.758 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.452 -2.610 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.624 -3.857 1.314 1.00 0.00 H new ATOM 469 N PRO A 31 5.932 -4.138 -2.909 1.00 0.00 N ATOM 470 CA PRO A 31 5.214 -4.252 -4.175 1.00 0.00 C ATOM 471 C PRO A 31 4.174 -3.149 -4.363 1.00 0.00 C ATOM 472 O PRO A 31 4.194 -2.126 -3.673 1.00 0.00 O ATOM 473 CB PRO A 31 4.536 -5.617 -4.059 1.00 0.00 C ATOM 474 CG PRO A 31 4.294 -5.792 -2.599 1.00 0.00 C ATOM 475 CD PRO A 31 5.420 -5.082 -1.895 1.00 0.00 C ATOM 0 HA PRO A 31 5.877 -4.155 -5.035 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.603 -5.646 -4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.171 -6.410 -4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.330 -5.372 -2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.274 -6.849 -2.332 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.069 -4.561 -1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.193 -5.780 -1.572 1.00 0.00 H new ATOM 483 N SER A 32 3.273 -3.363 -5.305 1.00 0.00 N ATOM 484 CA SER A 32 2.223 -2.406 -5.589 1.00 0.00 C ATOM 485 C SER A 32 0.879 -2.908 -5.070 1.00 0.00 C ATOM 486 O SER A 32 0.584 -4.105 -5.127 1.00 0.00 O ATOM 487 CB SER A 32 2.167 -2.148 -7.094 1.00 0.00 C ATOM 488 OG SER A 32 2.290 -3.362 -7.820 1.00 0.00 O ATOM 0 H SER A 32 3.249 -4.199 -5.890 1.00 0.00 H new ATOM 0 HA SER A 32 2.443 -1.469 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.226 -1.661 -7.349 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.967 -1.465 -7.380 1.00 0.00 H new ATOM 0 HG SER A 32 2.250 -3.174 -8.781 1.00 0.00 H new ATOM 494 N VAL A 33 0.079 -1.993 -4.548 1.00 0.00 N ATOM 495 CA VAL A 33 -1.242 -2.323 -4.045 1.00 0.00 C ATOM 496 C VAL A 33 -2.291 -1.973 -5.097 1.00 0.00 C ATOM 497 O VAL A 33 -2.179 -0.951 -5.777 1.00 0.00 O ATOM 498 CB VAL A 33 -1.545 -1.574 -2.722 1.00 0.00 C ATOM 499 CG1 VAL A 33 -1.621 -0.072 -2.942 1.00 0.00 C ATOM 500 CG2 VAL A 33 -2.825 -2.091 -2.083 1.00 0.00 C ATOM 0 H VAL A 33 0.326 -1.007 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.273 -3.393 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.720 -1.770 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.835 0.424 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.669 0.287 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.414 0.152 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.014 -1.549 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.660 -1.941 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.720 -3.154 -1.866 1.00 0.00 H new ATOM 510 N ARG A 34 -3.285 -2.828 -5.259 1.00 0.00 N ATOM 511 CA ARG A 34 -4.335 -2.577 -6.229 1.00 0.00 C ATOM 512 C ARG A 34 -5.643 -2.276 -5.525 1.00 0.00 C ATOM 513 O ARG A 34 -6.324 -3.174 -5.029 1.00 0.00 O ATOM 514 CB ARG A 34 -4.491 -3.760 -7.185 1.00 0.00 C ATOM 515 CG ARG A 34 -3.293 -3.950 -8.099 1.00 0.00 C ATOM 516 CD ARG A 34 -3.489 -5.122 -9.042 1.00 0.00 C ATOM 517 NE ARG A 34 -2.350 -5.295 -9.940 1.00 0.00 N ATOM 518 CZ ARG A 34 -1.792 -6.472 -10.222 1.00 0.00 C ATOM 519 NH1 ARG A 34 -2.248 -7.586 -9.656 1.00 0.00 N ATOM 520 NH2 ARG A 34 -0.772 -6.528 -11.065 1.00 0.00 N ATOM 0 H ARG A 34 -3.387 -3.697 -4.735 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.054 -1.706 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.646 -4.670 -6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.384 -3.613 -7.792 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.128 -3.041 -8.677 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.398 -4.112 -7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.636 -6.033 -8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.394 -4.968 -9.629 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.957 -4.462 -10.379 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.029 -7.543 -9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.816 -8.484 -9.876 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.418 -5.673 -11.494 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.341 -7.426 -11.285 1.00 0.00 H new ATOM 534 N VAL A 35 -5.976 -1.000 -5.468 1.00 0.00 N ATOM 535 CA VAL A 35 -7.172 -0.552 -4.786 1.00 0.00 C ATOM 536 C VAL A 35 -8.248 -0.171 -5.796 1.00 0.00 C ATOM 537 O VAL A 35 -7.986 0.545 -6.761 1.00 0.00 O ATOM 538 CB VAL A 35 -6.875 0.644 -3.848 1.00 0.00 C ATOM 539 CG1 VAL A 35 -5.859 0.248 -2.789 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.377 1.856 -4.625 1.00 0.00 C ATOM 0 H VAL A 35 -5.428 -0.251 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.534 -1.378 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.810 0.920 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.661 1.100 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.254 -0.578 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.932 -0.062 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.179 2.675 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.459 1.597 -5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.136 2.164 -5.345 1.00 0.00 H new ATOM 550 N LYS A 36 -9.450 -0.678 -5.599 1.00 0.00 N ATOM 551 CA LYS A 36 -10.553 -0.319 -6.466 1.00 0.00 C ATOM 552 C LYS A 36 -11.311 0.842 -5.844 1.00 0.00 C ATOM 553 O LYS A 36 -11.608 0.826 -4.649 1.00 0.00 O ATOM 554 CB LYS A 36 -11.481 -1.512 -6.697 1.00 0.00 C ATOM 555 CG LYS A 36 -12.446 -1.302 -7.851 1.00 0.00 C ATOM 556 CD LYS A 36 -13.325 -2.519 -8.082 1.00 0.00 C ATOM 557 CE LYS A 36 -14.203 -2.337 -9.310 1.00 0.00 C ATOM 558 NZ LYS A 36 -15.015 -1.096 -9.226 1.00 0.00 N ATOM 0 H LYS A 36 -9.685 -1.333 -4.854 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.163 -0.019 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.880 -2.400 -6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.049 -1.704 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.073 -0.434 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.884 -1.082 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.701 -3.404 -8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.951 -2.691 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.578 -2.303 -10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.864 -3.198 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.763 -1.121 -9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.447 -1.027 -8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.404 -0.270 -9.388 1.00 0.00 H new ATOM 572 N THR A 37 -11.599 1.852 -6.641 1.00 0.00 N ATOM 573 CA THR A 37 -12.220 3.061 -6.130 1.00 0.00 C ATOM 574 C THR A 37 -13.481 3.412 -6.909 1.00 0.00 C ATOM 575 O THR A 37 -13.603 3.067 -8.080 1.00 0.00 O ATOM 576 CB THR A 37 -11.235 4.241 -6.202 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.672 4.326 -7.519 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.119 4.090 -5.176 1.00 0.00 C ATOM 0 H THR A 37 -11.414 1.861 -7.644 1.00 0.00 H new ATOM 0 HA THR A 37 -12.494 2.873 -5.092 1.00 0.00 H new ATOM 0 HB THR A 37 -11.784 5.155 -5.978 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.047 5.080 -7.560 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.439 4.938 -5.251 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.548 4.056 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.571 3.168 -5.368 1.00 0.00 H new ATOM 586 N GLU A 38 -14.412 4.089 -6.250 1.00 0.00 N ATOM 587 CA GLU A 38 -15.622 4.564 -6.906 1.00 0.00 C ATOM 588 C GLU A 38 -15.566 6.082 -7.046 1.00 0.00 C ATOM 589 O GLU A 38 -15.889 6.817 -6.108 1.00 0.00 O ATOM 590 CB GLU A 38 -16.874 4.149 -6.123 1.00 0.00 C ATOM 591 CG GLU A 38 -17.059 2.644 -6.018 1.00 0.00 C ATOM 592 CD GLU A 38 -18.326 2.254 -5.280 1.00 0.00 C ATOM 593 OE1 GLU A 38 -18.361 2.375 -4.036 1.00 0.00 O ATOM 594 OE2 GLU A 38 -19.292 1.812 -5.936 1.00 0.00 O ATOM 0 H GLU A 38 -14.352 4.322 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.681 4.111 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.820 4.570 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.752 4.581 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -17.082 2.215 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.199 2.212 -5.506 1.00 0.00 H new ATOM 601 N GLY A 39 -15.131 6.541 -8.207 1.00 0.00 N ATOM 602 CA GLY A 39 -14.984 7.961 -8.445 1.00 0.00 C ATOM 603 C GLY A 39 -13.948 8.245 -9.512 1.00 0.00 C ATOM 604 O GLY A 39 -13.057 7.428 -9.753 1.00 0.00 O ATOM 0 H GLY A 39 -14.874 5.949 -8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.943 8.381 -8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.698 8.458 -7.518 1.00 0.00 H new ATOM 608 N TYR A 40 -14.056 9.401 -10.149 1.00 0.00 N ATOM 609 CA TYR A 40 -13.149 9.761 -11.228 1.00 0.00 C ATOM 610 C TYR A 40 -12.201 10.862 -10.770 1.00 0.00 C ATOM 611 O TYR A 40 -12.640 11.880 -10.233 1.00 0.00 O ATOM 612 CB TYR A 40 -13.944 10.217 -12.459 1.00 0.00 C ATOM 613 CG TYR A 40 -13.092 10.440 -13.691 1.00 0.00 C ATOM 614 CD1 TYR A 40 -12.775 9.385 -14.538 1.00 0.00 C ATOM 615 CD2 TYR A 40 -12.607 11.702 -14.008 1.00 0.00 C ATOM 616 CE1 TYR A 40 -11.997 9.582 -15.663 1.00 0.00 C ATOM 617 CE2 TYR A 40 -11.830 11.908 -15.132 1.00 0.00 C ATOM 618 CZ TYR A 40 -11.528 10.845 -15.956 1.00 0.00 C ATOM 619 OH TYR A 40 -10.750 11.047 -17.075 1.00 0.00 O ATOM 0 H TYR A 40 -14.762 10.106 -9.938 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.560 8.885 -11.500 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.705 9.470 -12.686 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.468 11.142 -12.219 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.143 8.395 -14.313 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.841 12.537 -13.365 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.758 8.751 -16.310 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.461 12.896 -15.364 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.504 11.994 -17.136 1.00 0.00 H new ATOM 629 N ASN A 41 -10.907 10.650 -10.982 1.00 0.00 N ATOM 630 CA ASN A 41 -9.885 11.610 -10.568 1.00 0.00 C ATOM 631 C ASN A 41 -9.930 12.863 -11.436 1.00 0.00 C ATOM 632 O ASN A 41 -9.650 12.805 -12.633 1.00 0.00 O ATOM 633 CB ASN A 41 -8.488 10.987 -10.653 1.00 0.00 C ATOM 634 CG ASN A 41 -8.236 9.931 -9.595 1.00 0.00 C ATOM 635 OD1 ASN A 41 -7.756 10.232 -8.505 1.00 0.00 O ATOM 636 ND2 ASN A 41 -8.552 8.683 -9.910 1.00 0.00 N ATOM 0 H ASN A 41 -10.537 9.817 -11.441 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.094 11.885 -9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.356 10.542 -11.639 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.740 11.774 -10.556 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.398 7.933 -9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.949 8.473 -10.826 1.00 0.00 H new ATOM 643 N PRO A 42 -10.285 14.015 -10.847 1.00 0.00 N ATOM 644 CA PRO A 42 -10.336 15.285 -11.562 1.00 0.00 C ATOM 645 C PRO A 42 -8.950 15.909 -11.711 1.00 0.00 C ATOM 646 O PRO A 42 -8.378 15.936 -12.802 1.00 0.00 O ATOM 647 CB PRO A 42 -11.235 16.171 -10.682 1.00 0.00 C ATOM 648 CG PRO A 42 -11.648 15.324 -9.515 1.00 0.00 C ATOM 649 CD PRO A 42 -10.679 14.177 -9.447 1.00 0.00 C ATOM 0 HA PRO A 42 -10.713 15.165 -12.578 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.698 17.059 -10.347 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.106 16.516 -11.239 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.628 15.902 -8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.668 14.961 -9.642 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.825 14.404 -8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.144 13.275 -9.049 1.00 0.00 H new ATOM 657 N SER A 43 -8.416 16.403 -10.605 1.00 0.00 N ATOM 658 CA SER A 43 -7.087 16.991 -10.583 1.00 0.00 C ATOM 659 C SER A 43 -6.147 16.127 -9.750 1.00 0.00 C ATOM 660 O SER A 43 -5.020 16.515 -9.443 1.00 0.00 O ATOM 661 CB SER A 43 -7.171 18.402 -10.006 1.00 0.00 C ATOM 662 OG SER A 43 -7.985 18.415 -8.843 1.00 0.00 O ATOM 0 H SER A 43 -8.889 16.408 -9.702 1.00 0.00 H new ATOM 0 HA SER A 43 -6.693 17.044 -11.598 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.171 18.762 -9.762 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.581 19.083 -10.752 1.00 0.00 H new ATOM 0 HG SER A 43 -8.028 19.326 -8.484 1.00 0.00 H new ATOM 668 N ILE A 44 -6.624 14.944 -9.395 1.00 0.00 N ATOM 669 CA ILE A 44 -5.868 14.037 -8.552 1.00 0.00 C ATOM 670 C ILE A 44 -5.059 13.074 -9.412 1.00 0.00 C ATOM 671 O ILE A 44 -5.575 12.512 -10.381 1.00 0.00 O ATOM 672 CB ILE A 44 -6.802 13.236 -7.620 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.749 14.182 -6.876 1.00 0.00 C ATOM 674 CG2 ILE A 44 -5.987 12.414 -6.632 1.00 0.00 C ATOM 675 CD1 ILE A 44 -8.777 13.470 -6.024 1.00 0.00 C ATOM 0 H ILE A 44 -7.537 14.590 -9.681 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.193 14.633 -7.938 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.398 12.555 -8.227 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.161 14.845 -6.241 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.265 14.810 -7.602 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.660 11.855 -5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.348 11.719 -7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.369 13.079 -6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.411 14.205 -5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.391 12.828 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.270 12.863 -5.274 1.00 0.00 H new ATOM 687 N ASN A 45 -3.793 12.901 -9.071 1.00 0.00 N ATOM 688 CA ASN A 45 -2.929 11.988 -9.800 1.00 0.00 C ATOM 689 C ASN A 45 -2.543 10.815 -8.913 1.00 0.00 C ATOM 690 O ASN A 45 -2.028 10.996 -7.805 1.00 0.00 O ATOM 691 CB ASN A 45 -1.671 12.699 -10.312 1.00 0.00 C ATOM 692 CG ASN A 45 -1.981 13.835 -11.272 1.00 0.00 C ATOM 693 OD1 ASN A 45 -2.176 13.616 -12.468 1.00 0.00 O ATOM 694 ND2 ASN A 45 -1.993 15.058 -10.761 1.00 0.00 N ATOM 0 H ASN A 45 -3.340 13.381 -8.293 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.481 11.619 -10.664 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.111 13.091 -9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.028 11.974 -10.811 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.169 15.861 -11.365 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.827 15.196 -9.764 1.00 0.00 H new ATOM 701 N VAL A 46 -2.780 9.612 -9.407 1.00 0.00 N ATOM 702 CA VAL A 46 -2.540 8.404 -8.630 1.00 0.00 C ATOM 703 C VAL A 46 -1.056 8.057 -8.580 1.00 0.00 C ATOM 704 O VAL A 46 -0.646 7.160 -7.854 1.00 0.00 O ATOM 705 CB VAL A 46 -3.334 7.208 -9.188 1.00 0.00 C ATOM 706 CG1 VAL A 46 -4.826 7.495 -9.124 1.00 0.00 C ATOM 707 CG2 VAL A 46 -2.909 6.890 -10.613 1.00 0.00 C ATOM 0 H VAL A 46 -3.140 9.444 -10.346 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.884 8.609 -7.616 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.119 6.334 -8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.378 6.643 -9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.119 7.667 -8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.052 8.381 -9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.485 6.042 -10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.090 7.757 -11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.847 6.643 -10.630 1.00 0.00 H new ATOM 717 N ASN A 47 -0.253 8.765 -9.360 1.00 0.00 N ATOM 718 CA ASN A 47 1.193 8.609 -9.289 1.00 0.00 C ATOM 719 C ASN A 47 1.773 9.567 -8.259 1.00 0.00 C ATOM 720 O ASN A 47 2.973 9.558 -7.982 1.00 0.00 O ATOM 721 CB ASN A 47 1.844 8.832 -10.657 1.00 0.00 C ATOM 722 CG ASN A 47 1.584 7.685 -11.613 1.00 0.00 C ATOM 723 OD1 ASN A 47 2.348 6.721 -11.666 1.00 0.00 O ATOM 724 ND2 ASN A 47 0.507 7.776 -12.376 1.00 0.00 N ATOM 0 H ASN A 47 -0.575 9.449 -10.045 1.00 0.00 H new ATOM 0 HA ASN A 47 1.410 7.586 -8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.464 9.757 -11.091 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.919 8.958 -10.529 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.286 7.031 -13.037 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.102 8.591 -12.303 1.00 0.00 H new ATOM 731 N GLU A 48 0.905 10.401 -7.697 1.00 0.00 N ATOM 732 CA GLU A 48 1.293 11.299 -6.620 1.00 0.00 C ATOM 733 C GLU A 48 0.868 10.707 -5.285 1.00 0.00 C ATOM 734 O GLU A 48 1.540 10.881 -4.270 1.00 0.00 O ATOM 735 CB GLU A 48 0.657 12.677 -6.799 1.00 0.00 C ATOM 736 CG GLU A 48 0.983 13.335 -8.126 1.00 0.00 C ATOM 737 CD GLU A 48 0.464 14.754 -8.206 1.00 0.00 C ATOM 738 OE1 GLU A 48 -0.764 14.937 -8.319 1.00 0.00 O ATOM 739 OE2 GLU A 48 1.281 15.694 -8.147 1.00 0.00 O ATOM 0 H GLU A 48 -0.075 10.472 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 48 2.376 11.417 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.425 12.582 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.989 13.328 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.063 13.337 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.552 12.747 -8.936 1.00 0.00 H new ATOM 746 N LEU A 49 -0.267 10.019 -5.296 1.00 0.00 N ATOM 747 CA LEU A 49 -0.757 9.325 -4.113 1.00 0.00 C ATOM 748 C LEU A 49 -0.051 7.987 -3.968 1.00 0.00 C ATOM 749 O LEU A 49 0.168 7.285 -4.953 1.00 0.00 O ATOM 750 CB LEU A 49 -2.266 9.100 -4.207 1.00 0.00 C ATOM 751 CG LEU A 49 -3.114 10.365 -4.314 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.578 10.000 -4.491 1.00 0.00 C ATOM 753 CD2 LEU A 49 -2.927 11.244 -3.085 1.00 0.00 C ATOM 0 H LEU A 49 -0.867 9.927 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.548 9.943 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.469 8.473 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.588 8.541 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.786 10.929 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.173 10.910 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.699 9.411 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.914 9.417 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.540 12.140 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.228 10.693 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.879 11.529 -2.998 1.00 0.00 H new ATOM 765 N PHE A 50 0.315 7.639 -2.747 1.00 0.00 N ATOM 766 CA PHE A 50 1.003 6.387 -2.499 1.00 0.00 C ATOM 767 C PHE A 50 0.304 5.577 -1.416 1.00 0.00 C ATOM 768 O PHE A 50 -0.592 6.067 -0.720 1.00 0.00 O ATOM 769 CB PHE A 50 2.456 6.642 -2.085 1.00 0.00 C ATOM 770 CG PHE A 50 3.272 7.352 -3.128 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.659 6.697 -4.285 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.654 8.670 -2.951 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.409 7.345 -5.247 1.00 0.00 C ATOM 774 CE2 PHE A 50 4.406 9.324 -3.908 1.00 0.00 C ATOM 775 CZ PHE A 50 4.783 8.660 -5.058 1.00 0.00 C ATOM 0 H PHE A 50 0.147 8.205 -1.915 1.00 0.00 H new ATOM 0 HA PHE A 50 0.986 5.817 -3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.464 7.232 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.930 5.688 -1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.371 5.667 -4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.361 9.194 -2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.702 6.823 -6.146 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.698 10.353 -3.757 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.370 9.169 -5.809 1.00 0.00 H new ATOM 785 N ALA A 51 0.717 4.329 -1.293 1.00 0.00 N ATOM 786 CA ALA A 51 0.283 3.480 -0.206 1.00 0.00 C ATOM 787 C ALA A 51 1.434 3.319 0.766 1.00 0.00 C ATOM 788 O ALA A 51 2.592 3.320 0.359 1.00 0.00 O ATOM 789 CB ALA A 51 -0.175 2.129 -0.724 1.00 0.00 C ATOM 0 H ALA A 51 1.361 3.879 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.567 3.939 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.497 1.509 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.007 2.267 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.649 1.640 -1.243 1.00 0.00 H new ATOM 795 N TYR A 52 1.129 3.184 2.037 1.00 0.00 N ATOM 796 CA TYR A 52 2.162 3.144 3.052 1.00 0.00 C ATOM 797 C TYR A 52 1.840 2.121 4.126 1.00 0.00 C ATOM 798 O TYR A 52 0.678 1.882 4.450 1.00 0.00 O ATOM 799 CB TYR A 52 2.356 4.536 3.673 1.00 0.00 C ATOM 800 CG TYR A 52 1.066 5.235 4.057 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.341 5.959 3.119 1.00 0.00 C ATOM 802 CD2 TYR A 52 0.574 5.173 5.355 1.00 0.00 C ATOM 803 CE1 TYR A 52 -0.833 6.598 3.460 1.00 0.00 C ATOM 804 CE2 TYR A 52 -0.601 5.811 5.704 1.00 0.00 C ATOM 805 CZ TYR A 52 -1.302 6.522 4.752 1.00 0.00 C ATOM 806 OH TYR A 52 -2.476 7.154 5.092 1.00 0.00 O ATOM 0 H TYR A 52 0.177 3.100 2.394 1.00 0.00 H new ATOM 0 HA TYR A 52 3.093 2.842 2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.982 4.441 4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.899 5.164 2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.703 6.023 2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.119 4.617 6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.382 7.156 2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.969 5.753 6.718 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.667 7.001 6.041 1.00 0.00 H new ATOM 816 N VAL A 53 2.878 1.513 4.665 1.00 0.00 N ATOM 817 CA VAL A 53 2.727 0.581 5.763 1.00 0.00 C ATOM 818 C VAL A 53 3.345 1.173 7.015 1.00 0.00 C ATOM 819 O VAL A 53 4.471 1.675 6.986 1.00 0.00 O ATOM 820 CB VAL A 53 3.369 -0.792 5.461 1.00 0.00 C ATOM 821 CG1 VAL A 53 2.497 -1.590 4.507 1.00 0.00 C ATOM 822 CG2 VAL A 53 4.770 -0.625 4.886 1.00 0.00 C ATOM 0 H VAL A 53 3.841 1.649 4.357 1.00 0.00 H new ATOM 0 HA VAL A 53 1.660 0.414 5.910 1.00 0.00 H new ATOM 0 HB VAL A 53 3.450 -1.340 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.965 -2.554 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.517 -1.749 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.382 -1.040 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.199 -1.606 4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.717 -0.053 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.397 -0.096 5.604 1.00 0.00 H new ATOM 832 N ASP A 54 2.593 1.142 8.102 1.00 0.00 N ATOM 833 CA ASP A 54 3.045 1.739 9.348 1.00 0.00 C ATOM 834 C ASP A 54 4.016 0.806 10.050 1.00 0.00 C ATOM 835 O ASP A 54 3.615 -0.079 10.811 1.00 0.00 O ATOM 836 CB ASP A 54 1.861 2.063 10.257 1.00 0.00 C ATOM 837 CG ASP A 54 2.268 2.900 11.452 1.00 0.00 C ATOM 838 OD1 ASP A 54 2.491 4.115 11.273 1.00 0.00 O ATOM 839 OD2 ASP A 54 2.366 2.351 12.570 1.00 0.00 O ATOM 0 H ASP A 54 1.669 0.711 8.148 1.00 0.00 H new ATOM 0 HA ASP A 54 3.558 2.673 9.118 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.101 2.595 9.685 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.407 1.135 10.604 1.00 0.00 H new ATOM 844 N LEU A 55 5.294 0.989 9.763 1.00 0.00 N ATOM 845 CA LEU A 55 6.332 0.149 10.330 1.00 0.00 C ATOM 846 C LEU A 55 6.887 0.794 11.588 1.00 0.00 C ATOM 847 O LEU A 55 8.077 1.084 11.681 1.00 0.00 O ATOM 848 CB LEU A 55 7.452 -0.085 9.310 1.00 0.00 C ATOM 849 CG LEU A 55 6.999 -0.661 7.966 1.00 0.00 C ATOM 850 CD1 LEU A 55 8.194 -0.959 7.080 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.175 -1.917 8.171 1.00 0.00 C ATOM 0 H LEU A 55 5.638 1.717 9.137 1.00 0.00 H new ATOM 0 HA LEU A 55 5.900 -0.818 10.589 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.960 0.862 9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.186 -0.762 9.748 1.00 0.00 H new ATOM 0 HG LEU A 55 6.377 0.086 7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.850 -1.368 6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.751 -0.040 6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.841 -1.684 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.863 -2.310 7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.775 -2.665 8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.294 -1.681 8.767 1.00 0.00 H new ATOM 863 N SER A 56 6.007 1.017 12.551 1.00 0.00 N ATOM 864 CA SER A 56 6.378 1.648 13.806 1.00 0.00 C ATOM 865 C SER A 56 7.090 0.663 14.735 1.00 0.00 C ATOM 866 O SER A 56 7.558 1.034 15.815 1.00 0.00 O ATOM 867 CB SER A 56 5.125 2.214 14.470 1.00 0.00 C ATOM 868 OG SER A 56 4.029 1.324 14.323 1.00 0.00 O ATOM 0 H SER A 56 5.020 0.767 12.485 1.00 0.00 H new ATOM 0 HA SER A 56 7.078 2.459 13.602 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.317 2.389 15.529 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.878 3.179 14.027 1.00 0.00 H new ATOM 0 HG SER A 56 3.523 1.558 13.517 1.00 0.00 H new ATOM 874 N GLY A 57 7.165 -0.589 14.308 1.00 0.00 N ATOM 875 CA GLY A 57 7.862 -1.597 15.077 1.00 0.00 C ATOM 876 C GLY A 57 9.303 -1.747 14.633 1.00 0.00 C ATOM 877 O GLY A 57 9.766 -1.026 13.751 1.00 0.00 O ATOM 0 H GLY A 57 6.753 -0.925 13.438 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.833 -1.332 16.134 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.348 -2.553 14.974 1.00 0.00 H new ATOM 881 N SER A 58 10.019 -2.669 15.251 1.00 0.00 N ATOM 882 CA SER A 58 11.404 -2.930 14.890 1.00 0.00 C ATOM 883 C SER A 58 11.704 -4.415 15.038 1.00 0.00 C ATOM 884 O SER A 58 12.861 -4.824 15.158 1.00 0.00 O ATOM 885 CB SER A 58 12.343 -2.105 15.774 1.00 0.00 C ATOM 886 OG SER A 58 12.035 -0.720 15.689 1.00 0.00 O ATOM 0 H SER A 58 9.664 -3.253 16.009 1.00 0.00 H new ATOM 0 HA SER A 58 11.563 -2.640 13.851 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.260 -2.437 16.809 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.376 -2.271 15.468 1.00 0.00 H new ATOM 0 HG SER A 58 12.647 -0.213 16.263 1.00 0.00 H new ATOM 892 N GLU A 59 10.648 -5.214 15.016 1.00 0.00 N ATOM 893 CA GLU A 59 10.760 -6.650 15.200 1.00 0.00 C ATOM 894 C GLU A 59 11.270 -7.310 13.923 1.00 0.00 C ATOM 895 O GLU A 59 10.603 -7.268 12.888 1.00 0.00 O ATOM 896 CB GLU A 59 9.405 -7.254 15.597 1.00 0.00 C ATOM 897 CG GLU A 59 8.810 -6.690 16.884 1.00 0.00 C ATOM 898 CD GLU A 59 8.283 -5.276 16.727 1.00 0.00 C ATOM 899 OE1 GLU A 59 7.197 -5.106 16.141 1.00 0.00 O ATOM 900 OE2 GLU A 59 8.957 -4.326 17.182 1.00 0.00 O ATOM 0 H GLU A 59 9.693 -4.885 14.871 1.00 0.00 H new ATOM 0 HA GLU A 59 11.472 -6.836 16.004 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.698 -7.092 14.784 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.521 -8.332 15.708 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.000 -7.338 17.217 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.570 -6.703 17.665 1.00 0.00 H new ATOM 907 N PRO A 60 12.464 -7.919 13.978 1.00 0.00 N ATOM 908 CA PRO A 60 13.084 -8.563 12.818 1.00 0.00 C ATOM 909 C PRO A 60 12.358 -9.838 12.401 1.00 0.00 C ATOM 910 O PRO A 60 11.640 -10.454 13.196 1.00 0.00 O ATOM 911 CB PRO A 60 14.506 -8.893 13.293 1.00 0.00 C ATOM 912 CG PRO A 60 14.682 -8.156 14.579 1.00 0.00 C ATOM 913 CD PRO A 60 13.312 -8.025 15.170 1.00 0.00 C ATOM 0 HA PRO A 60 13.055 -7.916 11.941 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.632 -9.966 13.436 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.247 -8.580 12.558 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.347 -8.698 15.252 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.129 -7.177 14.409 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.049 -8.889 15.781 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.227 -7.146 15.808 1.00 0.00 H new ATOM 921 N GLY A 61 12.555 -10.230 11.152 1.00 0.00 N ATOM 922 CA GLY A 61 11.898 -11.405 10.626 1.00 0.00 C ATOM 923 C GLY A 61 10.645 -11.034 9.872 1.00 0.00 C ATOM 924 O GLY A 61 10.465 -9.875 9.503 1.00 0.00 O ATOM 0 H GLY A 61 13.164 -9.750 10.489 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.579 -11.941 9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.648 -12.082 11.443 1.00 0.00 H new ATOM 928 N GLU A 62 9.779 -12.002 9.635 1.00 0.00 N ATOM 929 CA GLU A 62 8.524 -11.729 8.961 1.00 0.00 C ATOM 930 C GLU A 62 7.467 -11.296 9.968 1.00 0.00 C ATOM 931 O GLU A 62 6.992 -12.094 10.775 1.00 0.00 O ATOM 932 CB GLU A 62 8.049 -12.948 8.171 1.00 0.00 C ATOM 933 CG GLU A 62 8.962 -13.309 7.011 1.00 0.00 C ATOM 934 CD GLU A 62 8.356 -14.354 6.099 1.00 0.00 C ATOM 935 OE1 GLU A 62 8.561 -15.560 6.349 1.00 0.00 O ATOM 936 OE2 GLU A 62 7.665 -13.974 5.132 1.00 0.00 O ATOM 0 H GLU A 62 9.920 -12.978 9.897 1.00 0.00 H new ATOM 0 HA GLU A 62 8.686 -10.915 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.975 -13.802 8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.047 -12.756 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.182 -12.411 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.911 -13.678 7.401 1.00 0.00 H new ATOM 943 N HIS A 63 7.123 -10.022 9.923 1.00 0.00 N ATOM 944 CA HIS A 63 6.153 -9.450 10.842 1.00 0.00 C ATOM 945 C HIS A 63 4.950 -8.935 10.062 1.00 0.00 C ATOM 946 O HIS A 63 5.098 -8.400 8.964 1.00 0.00 O ATOM 947 CB HIS A 63 6.799 -8.309 11.637 1.00 0.00 C ATOM 948 CG HIS A 63 5.996 -7.845 12.817 1.00 0.00 C ATOM 949 ND1 HIS A 63 4.882 -7.038 12.708 1.00 0.00 N ATOM 950 CD2 HIS A 63 6.162 -8.071 14.140 1.00 0.00 C ATOM 951 CE1 HIS A 63 4.404 -6.788 13.912 1.00 0.00 C ATOM 952 NE2 HIS A 63 5.161 -7.403 14.796 1.00 0.00 N ATOM 0 H HIS A 63 7.506 -9.356 9.252 1.00 0.00 H new ATOM 0 HA HIS A 63 5.820 -10.218 11.540 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.779 -8.634 11.985 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.962 -7.464 10.969 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.490 -6.689 11.833 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.939 -8.667 14.595 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.538 -6.182 14.135 1.00 0.00 H new ATOM 961 N ASP A 64 3.765 -9.088 10.628 1.00 0.00 N ATOM 962 CA ASP A 64 2.541 -8.661 9.960 1.00 0.00 C ATOM 963 C ASP A 64 2.337 -7.167 10.152 1.00 0.00 C ATOM 964 O ASP A 64 2.580 -6.635 11.235 1.00 0.00 O ATOM 965 CB ASP A 64 1.329 -9.420 10.508 1.00 0.00 C ATOM 966 CG ASP A 64 1.465 -10.922 10.373 1.00 0.00 C ATOM 967 OD1 ASP A 64 1.055 -11.476 9.330 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.968 -11.564 11.322 1.00 0.00 O ATOM 0 H ASP A 64 3.621 -9.504 11.548 1.00 0.00 H new ATOM 0 HA ASP A 64 2.638 -8.880 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.192 -9.166 11.559 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.433 -9.092 9.981 1.00 0.00 H new ATOM 973 N TYR A 65 1.924 -6.487 9.095 1.00 0.00 N ATOM 974 CA TYR A 65 1.696 -5.052 9.154 1.00 0.00 C ATOM 975 C TYR A 65 0.436 -4.664 8.395 1.00 0.00 C ATOM 976 O TYR A 65 0.044 -5.329 7.432 1.00 0.00 O ATOM 977 CB TYR A 65 2.901 -4.287 8.603 1.00 0.00 C ATOM 978 CG TYR A 65 4.096 -4.293 9.530 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.117 -3.483 10.659 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.198 -5.101 9.282 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.201 -3.478 11.515 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.287 -5.102 10.133 1.00 0.00 C ATOM 983 CZ TYR A 65 6.282 -4.287 11.248 1.00 0.00 C ATOM 984 OH TYR A 65 7.360 -4.287 12.102 1.00 0.00 O ATOM 0 H TYR A 65 1.739 -6.906 8.184 1.00 0.00 H new ATOM 0 HA TYR A 65 1.561 -4.782 10.201 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.191 -4.722 7.647 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.608 -3.255 8.408 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.271 -2.846 10.871 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.204 -5.739 8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.200 -2.843 12.389 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.137 -5.736 9.927 1.00 0.00 H new ATOM 0 HH TYR A 65 7.923 -5.067 11.918 1.00 0.00 H new ATOM 994 N GLU A 66 -0.188 -3.587 8.844 1.00 0.00 N ATOM 995 CA GLU A 66 -1.420 -3.093 8.250 1.00 0.00 C ATOM 996 C GLU A 66 -1.119 -2.091 7.139 1.00 0.00 C ATOM 997 O GLU A 66 -0.441 -1.080 7.368 1.00 0.00 O ATOM 998 CB GLU A 66 -2.275 -2.440 9.337 1.00 0.00 C ATOM 999 CG GLU A 66 -3.590 -1.865 8.844 1.00 0.00 C ATOM 1000 CD GLU A 66 -4.327 -1.125 9.939 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -3.942 0.023 10.241 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -5.278 -1.690 10.510 1.00 0.00 O ATOM 0 H GLU A 66 0.145 -3.030 9.631 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.965 -3.928 7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.484 -3.179 10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.698 -1.643 9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.401 -1.187 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.218 -2.670 8.463 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.617 -2.376 5.944 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.411 -1.509 4.792 1.00 0.00 C ATOM 1011 C VAL A 67 -2.398 -0.345 4.814 1.00 0.00 C ATOM 1012 O VAL A 67 -3.585 -0.527 5.082 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.563 -2.292 3.466 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.337 -1.388 2.260 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.604 -3.470 3.433 1.00 0.00 C ATOM 0 H VAL A 67 -2.172 -3.209 5.746 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.394 -1.121 4.851 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.584 -2.669 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.451 -1.968 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.067 -0.579 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.331 -0.970 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.724 -4.010 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.421 -3.107 3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.820 -4.139 4.266 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.892 0.852 4.555 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.717 2.048 4.517 1.00 0.00 C ATOM 1027 C LYS A 68 -2.533 2.769 3.187 1.00 0.00 C ATOM 1028 O LYS A 68 -1.488 2.654 2.550 1.00 0.00 O ATOM 1029 CB LYS A 68 -2.343 2.995 5.659 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.554 2.427 7.051 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.948 3.342 8.103 1.00 0.00 C ATOM 1032 CE LYS A 68 -2.234 2.857 9.516 1.00 0.00 C ATOM 1033 NZ LYS A 68 -1.824 1.445 9.715 1.00 0.00 N ATOM 0 H LYS A 68 -0.904 1.020 4.366 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.759 1.747 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.295 3.276 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.929 3.909 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.620 2.303 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.101 1.438 7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.870 3.403 7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.345 4.350 7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.708 3.491 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.299 2.958 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.518 1.308 10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.628 0.818 9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.037 1.218 9.074 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.546 3.511 2.774 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.483 4.288 1.543 1.00 0.00 C ATOM 1049 C VAL A 69 -3.857 5.737 1.839 1.00 0.00 C ATOM 1050 O VAL A 69 -4.666 5.993 2.734 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.434 3.713 0.462 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.371 4.531 -0.820 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.105 2.256 0.175 1.00 0.00 C ATOM 0 H VAL A 69 -4.430 3.593 3.276 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.465 4.236 1.157 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.450 3.771 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.049 4.103 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.666 5.559 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.353 4.518 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.784 1.873 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.078 2.178 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.216 1.671 1.088 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.247 6.680 1.125 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.582 8.089 1.288 1.00 0.00 C ATOM 1065 C GLU A 70 -5.036 8.338 0.894 1.00 0.00 C ATOM 1066 O GLU A 70 -5.458 7.976 -0.203 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.653 8.973 0.454 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.203 8.912 0.898 1.00 0.00 C ATOM 1069 CD GLU A 70 -0.328 9.907 0.170 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -0.203 11.052 0.644 1.00 0.00 O ATOM 1071 OE2 GLU A 70 0.253 9.550 -0.872 1.00 0.00 O ATOM 0 H GLU A 70 -2.522 6.494 0.432 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.450 8.348 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.718 8.671 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.999 10.005 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.147 9.101 1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.818 7.906 0.732 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.821 8.939 1.802 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.248 9.202 1.579 1.00 0.00 C ATOM 1080 C PRO A 71 -7.505 10.082 0.359 1.00 0.00 C ATOM 1081 O PRO A 71 -6.973 11.191 0.250 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.691 9.921 2.858 1.00 0.00 C ATOM 1083 CG PRO A 71 -6.672 9.547 3.877 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.382 9.402 3.127 1.00 0.00 C ATOM 0 HA PRO A 71 -7.795 8.280 1.380 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.727 11.001 2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.689 9.607 3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.592 10.312 4.649 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.941 8.616 4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.842 10.347 3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.715 8.684 3.605 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.320 9.576 -0.553 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.678 10.306 -1.758 1.00 0.00 C ATOM 1094 C ILE A 72 -9.999 11.041 -1.542 1.00 0.00 C ATOM 1095 O ILE A 72 -10.987 10.433 -1.133 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.828 9.373 -2.989 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.620 8.441 -3.145 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -9.016 10.192 -4.257 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.726 7.155 -2.349 1.00 0.00 C ATOM 0 H ILE A 72 -8.749 8.654 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.869 11.009 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.711 8.756 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.498 8.194 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.721 8.974 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.120 9.522 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.913 10.804 -4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.150 10.837 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.833 6.551 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.816 7.390 -1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.605 6.598 -2.673 1.00 0.00 H new ATOM 1111 N PRO A 73 -10.029 12.360 -1.779 1.00 0.00 N ATOM 1112 CA PRO A 73 -11.262 13.141 -1.690 1.00 0.00 C ATOM 1113 C PRO A 73 -12.202 12.862 -2.863 1.00 0.00 C ATOM 1114 O PRO A 73 -11.746 12.588 -3.976 1.00 0.00 O ATOM 1115 CB PRO A 73 -10.769 14.589 -1.728 1.00 0.00 C ATOM 1116 CG PRO A 73 -9.469 14.533 -2.454 1.00 0.00 C ATOM 1117 CD PRO A 73 -8.864 13.191 -2.134 1.00 0.00 C ATOM 0 HA PRO A 73 -11.839 12.900 -0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.481 15.235 -2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.643 14.990 -0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.618 14.646 -3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.811 15.342 -2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.324 12.781 -2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.154 13.258 -1.310 1.00 0.00 H new ATOM 1125 N ASN A 74 -13.511 12.918 -2.592 1.00 0.00 N ATOM 1126 CA ASN A 74 -14.565 12.692 -3.597 1.00 0.00 C ATOM 1127 C ASN A 74 -14.681 11.220 -3.991 1.00 0.00 C ATOM 1128 O ASN A 74 -15.781 10.674 -4.069 1.00 0.00 O ATOM 1129 CB ASN A 74 -14.349 13.544 -4.855 1.00 0.00 C ATOM 1130 CG ASN A 74 -14.402 15.030 -4.577 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -15.063 15.480 -3.640 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -13.718 15.804 -5.401 1.00 0.00 N ATOM 0 H ASN A 74 -13.875 13.123 -1.662 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.498 12.997 -3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.383 13.296 -5.294 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.109 13.291 -5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.724 16.816 -5.274 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.184 15.389 -6.165 1.00 0.00 H new ATOM 1139 N ILE A 75 -13.547 10.589 -4.243 1.00 0.00 N ATOM 1140 CA ILE A 75 -13.525 9.205 -4.678 1.00 0.00 C ATOM 1141 C ILE A 75 -13.600 8.267 -3.479 1.00 0.00 C ATOM 1142 O ILE A 75 -12.901 8.452 -2.486 1.00 0.00 O ATOM 1143 CB ILE A 75 -12.242 8.904 -5.484 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -12.110 9.875 -6.663 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -12.246 7.464 -5.976 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -10.878 9.638 -7.501 1.00 0.00 C ATOM 0 H ILE A 75 -12.625 11.017 -4.153 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.393 9.042 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.383 9.040 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.993 9.788 -7.296 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.090 10.896 -6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.335 7.270 -6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.294 6.788 -5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.112 7.301 -6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.848 10.360 -8.317 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.989 9.754 -6.881 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.906 8.628 -7.911 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.468 7.270 -3.572 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.625 6.295 -2.500 1.00 0.00 C ATOM 1160 C LYS A 76 -13.625 5.158 -2.672 1.00 0.00 C ATOM 1161 O LYS A 76 -13.355 4.730 -3.793 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.040 5.719 -2.498 1.00 0.00 C ATOM 1163 CG LYS A 76 -17.144 6.755 -2.368 1.00 0.00 C ATOM 1164 CD LYS A 76 -18.504 6.081 -2.374 1.00 0.00 C ATOM 1165 CE LYS A 76 -19.648 7.076 -2.328 1.00 0.00 C ATOM 1166 NZ LYS A 76 -20.963 6.381 -2.335 1.00 0.00 N ATOM 0 H LYS A 76 -15.074 7.114 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.444 6.803 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.192 5.159 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.128 5.008 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.015 7.320 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.081 7.468 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.597 5.467 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.577 5.410 -1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.563 7.691 -1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.584 7.748 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.728 7.085 -2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.051 5.813 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.031 5.758 -1.505 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.082 4.669 -1.570 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.153 3.550 -1.620 1.00 0.00 C ATOM 1182 C ILE A 77 -12.872 2.247 -1.269 1.00 0.00 C ATOM 1183 O ILE A 77 -13.433 2.100 -0.182 1.00 0.00 O ATOM 1184 CB ILE A 77 -10.935 3.771 -0.686 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.014 2.544 -0.706 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.385 4.090 0.734 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.748 2.717 0.109 1.00 0.00 C ATOM 0 H ILE A 77 -13.267 5.027 -0.633 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.773 3.480 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.373 4.628 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.564 1.682 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.743 2.321 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.511 4.240 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.990 4.997 0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.977 3.261 1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.148 1.809 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.175 3.558 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.009 2.909 1.150 1.00 0.00 H new ATOM 1199 N VAL A 78 -12.875 1.315 -2.209 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.575 0.051 -2.031 1.00 0.00 C ATOM 1201 C VAL A 78 -12.633 -1.018 -1.498 1.00 0.00 C ATOM 1202 O VAL A 78 -12.947 -1.721 -0.539 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.184 -0.443 -3.359 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.005 -1.704 -3.144 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.026 0.646 -4.002 1.00 0.00 C ATOM 0 H VAL A 78 -12.399 1.410 -3.106 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.376 0.227 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.366 -0.686 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.424 -2.032 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.367 -2.489 -2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.814 -1.496 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.446 0.276 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.834 0.927 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.402 1.517 -4.203 1.00 0.00 H new ATOM 1215 N GLU A 79 -11.473 -1.128 -2.122 1.00 0.00 N ATOM 1216 CA GLU A 79 -10.508 -2.150 -1.757 1.00 0.00 C ATOM 1217 C GLU A 79 -9.208 -1.531 -1.282 1.00 0.00 C ATOM 1218 O GLU A 79 -8.831 -0.448 -1.719 1.00 0.00 O ATOM 1219 CB GLU A 79 -10.236 -3.081 -2.941 1.00 0.00 C ATOM 1220 CG GLU A 79 -11.294 -4.155 -3.123 1.00 0.00 C ATOM 1221 CD GLU A 79 -11.344 -5.107 -1.947 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -10.526 -6.048 -1.903 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -12.183 -4.906 -1.047 1.00 0.00 O ATOM 0 H GLU A 79 -11.176 -0.520 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.934 -2.730 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.172 -2.487 -3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.266 -3.558 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.269 -3.685 -3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.088 -4.716 -4.035 1.00 0.00 H new ATOM 1230 N ILE A 80 -8.547 -2.223 -0.371 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.233 -1.828 0.107 1.00 0.00 C ATOM 1232 C ILE A 80 -6.369 -3.086 0.243 1.00 0.00 C ATOM 1233 O ILE A 80 -5.430 -3.157 1.033 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.344 -1.057 1.451 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -6.001 -0.431 1.844 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -7.860 -1.965 2.558 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -6.069 0.424 3.092 1.00 0.00 C ATOM 0 H ILE A 80 -8.906 -3.075 0.059 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.764 -1.149 -0.605 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.062 -0.249 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.271 -1.226 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.638 0.178 1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.929 -1.401 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.846 -2.342 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.175 -2.802 2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.082 0.833 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.774 1.241 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.401 -0.185 3.933 1.00 0.00 H new ATOM 1249 N SER A 81 -6.703 -4.077 -0.574 1.00 0.00 N ATOM 1250 CA SER A 81 -6.052 -5.378 -0.536 1.00 0.00 C ATOM 1251 C SER A 81 -4.746 -5.365 -1.334 1.00 0.00 C ATOM 1252 O SER A 81 -4.676 -4.765 -2.408 1.00 0.00 O ATOM 1253 CB SER A 81 -7.004 -6.429 -1.105 1.00 0.00 C ATOM 1254 OG SER A 81 -8.286 -6.335 -0.497 1.00 0.00 O ATOM 0 H SER A 81 -7.434 -4.000 -1.282 1.00 0.00 H new ATOM 0 HA SER A 81 -5.808 -5.619 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.098 -6.295 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.592 -7.425 -0.942 1.00 0.00 H new ATOM 0 HG SER A 81 -8.934 -5.997 -1.150 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.696 -6.044 -0.836 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.738 -6.807 0.417 1.00 0.00 C ATOM 1262 C PRO A 82 -3.750 -5.900 1.645 1.00 0.00 C ATOM 1263 O PRO A 82 -2.943 -4.982 1.757 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.452 -7.648 0.385 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.873 -7.456 -0.980 1.00 0.00 C ATOM 1266 CD PRO A 82 -2.374 -6.127 -1.460 1.00 0.00 C ATOM 0 HA PRO A 82 -4.645 -7.407 0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.753 -7.323 1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.668 -8.700 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.784 -7.473 -0.947 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.185 -8.256 -1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.724 -5.310 -1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.435 -6.085 -2.547 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.671 -6.177 2.557 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.865 -5.349 3.742 1.00 0.00 C ATOM 1276 C ARG A 83 -3.804 -5.637 4.799 1.00 0.00 C ATOM 1277 O ARG A 83 -3.184 -4.722 5.342 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.262 -5.599 4.313 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.373 -5.259 3.334 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.727 -5.733 3.827 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.848 -7.190 3.792 1.00 0.00 N ATOM 1282 CZ ARG A 83 -10.005 -7.843 3.903 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -11.141 -7.171 4.064 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -10.022 -9.168 3.856 1.00 0.00 N ATOM 0 H ARG A 83 -5.302 -6.976 2.499 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.769 -4.302 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.348 -6.646 4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.390 -5.006 5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.401 -4.181 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.158 -5.716 2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.884 -5.381 4.847 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.511 -5.290 3.213 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.996 -7.739 3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.130 -6.152 4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.024 -7.675 4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.151 -9.685 3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.906 -9.670 3.941 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.610 -6.912 5.098 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.600 -7.327 6.057 1.00 0.00 C ATOM 1300 C VAL A 84 -1.500 -8.097 5.345 1.00 0.00 C ATOM 1301 O VAL A 84 -1.756 -9.129 4.721 1.00 0.00 O ATOM 1302 CB VAL A 84 -3.198 -8.205 7.179 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -2.127 -8.598 8.188 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -4.345 -7.485 7.871 1.00 0.00 C ATOM 0 H VAL A 84 -4.142 -7.680 4.688 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.191 -6.427 6.516 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.588 -9.115 6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.571 -9.216 8.968 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.341 -9.160 7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.701 -7.700 8.635 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.752 -8.121 8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.980 -6.555 8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.126 -7.262 7.144 1.00 0.00 H new ATOM 1314 N VAL A 85 -0.285 -7.584 5.419 1.00 0.00 N ATOM 1315 CA VAL A 85 0.847 -8.224 4.771 1.00 0.00 C ATOM 1316 C VAL A 85 1.923 -8.573 5.788 1.00 0.00 C ATOM 1317 O VAL A 85 2.119 -7.860 6.771 1.00 0.00 O ATOM 1318 CB VAL A 85 1.456 -7.334 3.663 1.00 0.00 C ATOM 1319 CG1 VAL A 85 0.451 -7.104 2.547 1.00 0.00 C ATOM 1320 CG2 VAL A 85 1.937 -6.005 4.231 1.00 0.00 C ATOM 0 H VAL A 85 -0.056 -6.726 5.921 1.00 0.00 H new ATOM 0 HA VAL A 85 0.473 -9.138 4.309 1.00 0.00 H new ATOM 0 HB VAL A 85 2.318 -7.857 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.899 -6.475 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.165 -8.062 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.433 -6.610 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.361 -5.399 3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.097 -5.476 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.698 -6.188 4.989 1.00 0.00 H new ATOM 1330 N THR A 86 2.602 -9.679 5.559 1.00 0.00 N ATOM 1331 CA THR A 86 3.687 -10.090 6.425 1.00 0.00 C ATOM 1332 C THR A 86 5.022 -9.706 5.788 1.00 0.00 C ATOM 1333 O THR A 86 5.494 -10.365 4.863 1.00 0.00 O ATOM 1334 CB THR A 86 3.639 -11.608 6.689 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.294 -12.003 7.012 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.564 -11.988 7.833 1.00 0.00 C ATOM 0 H THR A 86 2.421 -10.310 4.778 1.00 0.00 H new ATOM 0 HA THR A 86 3.581 -9.580 7.382 1.00 0.00 H new ATOM 0 HB THR A 86 3.969 -12.123 5.787 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.140 -11.884 7.972 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.513 -13.064 8.000 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.587 -11.708 7.582 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.257 -11.465 8.739 1.00 0.00 H new ATOM 1344 N LEU A 87 5.609 -8.622 6.274 1.00 0.00 N ATOM 1345 CA LEU A 87 6.830 -8.080 5.693 1.00 0.00 C ATOM 1346 C LEU A 87 8.056 -8.614 6.417 1.00 0.00 C ATOM 1347 O LEU A 87 8.024 -8.840 7.625 1.00 0.00 O ATOM 1348 CB LEU A 87 6.814 -6.551 5.751 1.00 0.00 C ATOM 1349 CG LEU A 87 5.684 -5.882 4.968 1.00 0.00 C ATOM 1350 CD1 LEU A 87 5.728 -4.374 5.158 1.00 0.00 C ATOM 1351 CD2 LEU A 87 5.775 -6.235 3.490 1.00 0.00 C ATOM 0 H LEU A 87 5.257 -8.097 7.075 1.00 0.00 H new ATOM 0 HA LEU A 87 6.878 -8.395 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.743 -6.244 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.766 -6.179 5.373 1.00 0.00 H new ATOM 0 HG LEU A 87 4.733 -6.252 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.917 -3.912 4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.615 -4.137 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.683 -3.990 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.962 -5.750 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.731 -5.893 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.697 -7.315 3.369 1.00 0.00 H new ATOM 1363 N GLN A 88 9.133 -8.813 5.674 1.00 0.00 N ATOM 1364 CA GLN A 88 10.361 -9.346 6.239 1.00 0.00 C ATOM 1365 C GLN A 88 11.326 -8.212 6.559 1.00 0.00 C ATOM 1366 O GLN A 88 11.630 -7.382 5.700 1.00 0.00 O ATOM 1367 CB GLN A 88 11.007 -10.322 5.258 1.00 0.00 C ATOM 1368 CG GLN A 88 12.014 -11.261 5.899 1.00 0.00 C ATOM 1369 CD GLN A 88 12.768 -12.079 4.872 1.00 0.00 C ATOM 1370 OE1 GLN A 88 12.318 -13.147 4.458 1.00 0.00 O ATOM 1371 NE2 GLN A 88 13.928 -11.593 4.470 1.00 0.00 N ATOM 0 H GLN A 88 9.181 -8.612 4.675 1.00 0.00 H new ATOM 0 HA GLN A 88 10.123 -9.876 7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.225 -10.913 4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.503 -9.755 4.470 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.723 -10.682 6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.497 -11.931 6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.264 -10.703 4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.488 -12.107 3.790 1.00 0.00 H new ATOM 1380 N LEU A 89 11.783 -8.171 7.801 1.00 0.00 N ATOM 1381 CA LEU A 89 12.720 -7.151 8.242 1.00 0.00 C ATOM 1382 C LEU A 89 14.046 -7.775 8.654 1.00 0.00 C ATOM 1383 O LEU A 89 14.083 -8.751 9.411 1.00 0.00 O ATOM 1384 CB LEU A 89 12.129 -6.358 9.408 1.00 0.00 C ATOM 1385 CG LEU A 89 10.880 -5.546 9.065 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.249 -4.977 10.326 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.223 -4.428 8.094 1.00 0.00 C ATOM 0 H LEU A 89 11.517 -8.838 8.526 1.00 0.00 H new ATOM 0 HA LEU A 89 12.903 -6.473 7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.885 -7.051 10.213 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.892 -5.680 9.791 1.00 0.00 H new ATOM 0 HG LEU A 89 10.159 -6.210 8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.361 -4.402 10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.968 -5.793 10.992 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.965 -4.328 10.830 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.323 -3.860 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.962 -3.767 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.631 -4.854 7.178 1.00 0.00 H new ATOM 1399 N GLU A 90 15.126 -7.204 8.157 1.00 0.00 N ATOM 1400 CA GLU A 90 16.464 -7.691 8.442 1.00 0.00 C ATOM 1401 C GLU A 90 17.124 -6.840 9.519 1.00 0.00 C ATOM 1402 O GLU A 90 16.808 -5.654 9.666 1.00 0.00 O ATOM 1403 CB GLU A 90 17.328 -7.665 7.173 1.00 0.00 C ATOM 1404 CG GLU A 90 16.995 -8.743 6.147 1.00 0.00 C ATOM 1405 CD GLU A 90 15.571 -8.671 5.629 1.00 0.00 C ATOM 1406 OE1 GLU A 90 15.251 -7.727 4.877 1.00 0.00 O ATOM 1407 OE2 GLU A 90 14.775 -9.573 5.963 1.00 0.00 O ATOM 0 H GLU A 90 15.102 -6.389 7.544 1.00 0.00 H new ATOM 0 HA GLU A 90 16.380 -8.718 8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.223 -6.689 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.374 -7.769 7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.683 -8.657 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.160 -9.723 6.595 1.00 0.00 H new ATOM 1414 N HIS A 91 18.028 -7.453 10.275 1.00 0.00 N ATOM 1415 CA HIS A 91 18.787 -6.746 11.303 1.00 0.00 C ATOM 1416 C HIS A 91 19.729 -5.723 10.686 1.00 0.00 C ATOM 1417 O HIS A 91 20.761 -6.089 10.124 1.00 0.00 O ATOM 1418 CB HIS A 91 19.610 -7.716 12.151 1.00 0.00 C ATOM 1419 CG HIS A 91 18.869 -8.339 13.290 1.00 0.00 C ATOM 1420 ND1 HIS A 91 18.855 -7.803 14.561 1.00 0.00 N ATOM 1421 CD2 HIS A 91 18.144 -9.477 13.358 1.00 0.00 C ATOM 1422 CE1 HIS A 91 18.160 -8.585 15.359 1.00 0.00 C ATOM 1423 NE2 HIS A 91 17.716 -9.610 14.657 1.00 0.00 N ATOM 0 H HIS A 91 18.255 -8.444 10.195 1.00 0.00 H new ATOM 0 HA HIS A 91 18.060 -6.237 11.936 1.00 0.00 H new ATOM 0 HB2 HIS A 91 19.989 -8.509 11.506 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.476 -7.186 12.547 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.939 -10.156 12.543 1.00 0.00 H new ATOM 0 HE1 HIS A 91 17.983 -8.416 16.411 1.00 0.00 H new ATOM 0 HE2 HIS A 91 17.148 -10.376 15.019 1.00 0.00 H new ATOM 1432 N HIS A 92 19.370 -4.455 10.780 1.00 0.00 N ATOM 1433 CA HIS A 92 20.250 -3.388 10.333 1.00 0.00 C ATOM 1434 C HIS A 92 20.846 -2.682 11.541 1.00 0.00 C ATOM 1435 O HIS A 92 20.126 -2.083 12.338 1.00 0.00 O ATOM 1436 CB HIS A 92 19.502 -2.387 9.444 1.00 0.00 C ATOM 1437 CG HIS A 92 20.362 -1.258 8.954 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.506 -1.446 8.209 1.00 0.00 N ATOM 1439 CD2 HIS A 92 20.242 0.081 9.118 1.00 0.00 C ATOM 1440 CE1 HIS A 92 22.050 -0.275 7.940 1.00 0.00 C ATOM 1441 NE2 HIS A 92 21.304 0.668 8.479 1.00 0.00 N ATOM 0 H HIS A 92 18.478 -4.139 11.161 1.00 0.00 H new ATOM 0 HA HIS A 92 21.051 -3.825 9.737 1.00 0.00 H new ATOM 0 HB2 HIS A 92 19.087 -2.916 8.586 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.661 -1.976 10.002 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.455 0.592 9.653 1.00 0.00 H new ATOM 0 HE1 HIS A 92 22.955 -0.116 7.373 1.00 0.00 H new ATOM 0 HE2 HIS A 92 21.487 1.670 8.429 1.00 0.00 H new