USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 145:sc=-0.00723 (180deg=-1.33) USER MOD Single : A 26 GLN : amide:sc= 1.07 K(o=1.1,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.08) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -32:sc= -0.844 USER MOD Single : A 42 SER OG : rot -48:sc= 0.0218 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.003) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.82 K(o=0.82,f=-6!) USER MOD Single : A 53 HIS : no HD1:sc= -0.0829 X(o=-0.083,f=-0.045) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.852 K(o=0.85,f=-0.28) USER MOD Single : A 67 ASN : amide:sc= 0.49 K(o=0.49,f=-0.84) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.0758 K(o=0.076,f=-2!) USER MOD Single : A 73 THR OG1 : rot 65:sc= 1.59 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -79:sc= 0.0517 USER MOD ----------------------------------------------------------------- ATOM 91 N ILE A 7 11.833 -4.845 -15.280 1.00 0.00 N ATOM 92 CA ILE A 7 11.884 -5.275 -13.873 1.00 0.00 C ATOM 93 C ILE A 7 13.289 -5.000 -13.320 1.00 0.00 C ATOM 94 O ILE A 7 14.288 -5.312 -13.974 1.00 0.00 O ATOM 95 CB ILE A 7 11.488 -6.765 -13.693 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.120 -7.093 -14.340 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.483 -7.135 -12.195 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.665 -8.552 -14.209 1.00 0.00 C ATOM 0 HA ILE A 7 11.149 -4.701 -13.309 1.00 0.00 H new ATOM 0 HB ILE A 7 12.235 -7.367 -14.210 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.361 -6.452 -13.891 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.167 -6.838 -15.399 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.204 -8.182 -12.080 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.477 -6.976 -11.778 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.764 -6.508 -11.668 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.697 -8.676 -14.694 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.396 -9.205 -14.685 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.578 -8.813 -13.154 1.00 0.00 H new ATOM 110 N VAL A 8 13.371 -4.434 -12.111 1.00 0.00 N ATOM 111 CA VAL A 8 14.624 -4.039 -11.445 1.00 0.00 C ATOM 112 C VAL A 8 14.649 -4.453 -9.968 1.00 0.00 C ATOM 113 O VAL A 8 13.693 -4.219 -9.227 1.00 0.00 O ATOM 114 CB VAL A 8 14.892 -2.526 -11.600 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.291 -2.176 -13.037 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.722 -1.620 -11.190 1.00 0.00 C ATOM 0 H VAL A 8 12.544 -4.231 -11.549 1.00 0.00 H new ATOM 0 HA VAL A 8 15.429 -4.577 -11.945 1.00 0.00 H new ATOM 0 HB VAL A 8 15.711 -2.330 -10.908 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.473 -1.104 -13.113 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.198 -2.718 -13.305 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.486 -2.457 -13.717 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.002 -0.576 -11.333 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.852 -1.849 -11.805 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.480 -1.790 -10.141 1.00 0.00 H new ATOM 126 N LYS A 9 15.757 -5.060 -9.525 1.00 0.00 N ATOM 127 CA LYS A 9 16.010 -5.383 -8.107 1.00 0.00 C ATOM 128 C LYS A 9 16.294 -4.124 -7.291 1.00 0.00 C ATOM 129 O LYS A 9 17.024 -3.245 -7.749 1.00 0.00 O ATOM 130 CB LYS A 9 17.181 -6.372 -7.972 1.00 0.00 C ATOM 131 CG LYS A 9 16.740 -7.790 -8.347 1.00 0.00 C ATOM 132 CD LYS A 9 17.924 -8.764 -8.391 1.00 0.00 C ATOM 133 CE LYS A 9 17.427 -10.164 -8.768 1.00 0.00 C ATOM 134 NZ LYS A 9 18.544 -11.143 -8.837 1.00 0.00 N ATOM 0 H LYS A 9 16.515 -5.346 -10.145 1.00 0.00 H new ATOM 0 HA LYS A 9 15.107 -5.849 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 9 18.003 -6.060 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.556 -6.361 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.005 -8.145 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.248 -7.772 -9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.662 -8.422 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.420 -8.793 -7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.693 -10.500 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.919 -10.123 -9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.170 -12.079 -9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.231 -10.835 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.013 -11.201 -7.910 1.00 0.00 H new ATOM 148 N VAL A 10 15.781 -4.077 -6.066 1.00 0.00 N ATOM 149 CA VAL A 10 15.999 -2.982 -5.099 1.00 0.00 C ATOM 150 C VAL A 10 16.150 -3.505 -3.667 1.00 0.00 C ATOM 151 O VAL A 10 15.637 -4.573 -3.325 1.00 0.00 O ATOM 152 CB VAL A 10 14.892 -1.904 -5.164 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.778 -1.267 -6.552 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.511 -2.422 -4.748 1.00 0.00 C ATOM 0 H VAL A 10 15.183 -4.817 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 10 16.937 -2.509 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 10 15.208 -1.151 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.987 -0.517 -6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.724 -0.793 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.542 -2.036 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.783 -1.614 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.213 -3.236 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.553 -2.785 -3.721 1.00 0.00 H new ATOM 164 N ALA A 11 16.835 -2.730 -2.823 1.00 0.00 N ATOM 165 CA ALA A 11 16.946 -2.956 -1.380 1.00 0.00 C ATOM 166 C ALA A 11 16.262 -1.810 -0.620 1.00 0.00 C ATOM 167 O ALA A 11 16.646 -0.653 -0.789 1.00 0.00 O ATOM 168 CB ALA A 11 18.431 -3.082 -1.013 1.00 0.00 C ATOM 0 H ALA A 11 17.343 -1.902 -3.135 1.00 0.00 H new ATOM 0 HA ALA A 11 16.442 -3.880 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.528 -3.251 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.869 -3.921 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.952 -2.164 -1.284 1.00 0.00 H new ATOM 174 N ILE A 12 15.246 -2.108 0.193 1.00 0.00 N ATOM 175 CA ILE A 12 14.395 -1.100 0.849 1.00 0.00 C ATOM 176 C ILE A 12 14.679 -1.056 2.353 1.00 0.00 C ATOM 177 O ILE A 12 14.579 -2.071 3.039 1.00 0.00 O ATOM 178 CB ILE A 12 12.897 -1.351 0.572 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.621 -1.539 -0.938 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.052 -0.186 1.139 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.212 -2.048 -1.218 1.00 0.00 C ATOM 0 H ILE A 12 14.984 -3.067 0.420 1.00 0.00 H new ATOM 0 HA ILE A 12 14.641 -0.127 0.424 1.00 0.00 H new ATOM 0 HB ILE A 12 12.611 -2.276 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.769 -0.589 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.346 -2.241 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.997 -0.371 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.210 -0.112 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.353 0.747 0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.073 -2.162 -2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.070 -3.012 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.484 -1.335 -0.832 1.00 0.00 H new ATOM 193 N GLU A 13 15.003 0.121 2.874 1.00 0.00 N ATOM 194 CA GLU A 13 15.248 0.369 4.300 1.00 0.00 C ATOM 195 C GLU A 13 13.988 0.813 5.069 1.00 0.00 C ATOM 196 O GLU A 13 13.103 1.484 4.527 1.00 0.00 O ATOM 197 CB GLU A 13 16.368 1.408 4.471 1.00 0.00 C ATOM 198 CG GLU A 13 17.703 0.956 3.855 1.00 0.00 C ATOM 199 CD GLU A 13 18.895 1.826 4.305 1.00 0.00 C ATOM 200 OE1 GLU A 13 18.727 3.047 4.549 1.00 0.00 O ATOM 201 OE2 GLU A 13 20.024 1.288 4.416 1.00 0.00 O ATOM 0 H GLU A 13 15.107 0.959 2.302 1.00 0.00 H new ATOM 0 HA GLU A 13 15.554 -0.583 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.060 2.346 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.513 1.607 5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.892 -0.082 4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.626 0.988 2.768 1.00 0.00 H new ATOM 208 N TRP A 14 13.949 0.488 6.365 1.00 0.00 N ATOM 209 CA TRP A 14 12.962 0.960 7.346 1.00 0.00 C ATOM 210 C TRP A 14 13.595 0.992 8.758 1.00 0.00 C ATOM 211 O TRP A 14 14.407 0.107 9.058 1.00 0.00 O ATOM 212 CB TRP A 14 11.725 0.052 7.307 1.00 0.00 C ATOM 213 CG TRP A 14 10.651 0.391 8.295 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.404 -0.271 9.446 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.714 1.512 8.274 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.381 0.353 10.135 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.930 1.471 9.468 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.488 2.594 7.397 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.959 2.440 9.763 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.522 3.576 7.685 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.752 3.498 8.861 1.00 0.00 C ATOM 0 H TRP A 14 14.636 -0.141 6.780 1.00 0.00 H new ATOM 0 HA TRP A 14 12.650 1.974 7.097 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.299 0.089 6.305 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.044 -0.976 7.480 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.927 -1.155 9.778 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.007 0.027 11.026 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.067 2.670 6.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.378 2.374 10.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.370 4.396 6.999 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.004 4.249 9.070 1.00 0.00 H new ATOM 232 N PRO A 15 13.281 1.970 9.638 1.00 0.00 N ATOM 233 CA PRO A 15 13.926 2.088 10.949 1.00 0.00 C ATOM 234 C PRO A 15 13.734 0.851 11.840 1.00 0.00 C ATOM 235 O PRO A 15 12.631 0.308 11.955 1.00 0.00 O ATOM 236 CB PRO A 15 13.350 3.356 11.592 1.00 0.00 C ATOM 237 CG PRO A 15 12.948 4.198 10.384 1.00 0.00 C ATOM 238 CD PRO A 15 12.437 3.136 9.415 1.00 0.00 C ATOM 0 HA PRO A 15 15.007 2.156 10.829 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.496 3.133 12.231 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.088 3.865 12.212 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.178 4.928 10.633 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.792 4.753 9.974 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.389 2.904 9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.507 3.480 8.383 1.00 0.00 H new ATOM 246 N GLY A 16 14.817 0.404 12.483 1.00 0.00 N ATOM 247 CA GLY A 16 14.825 -0.775 13.361 1.00 0.00 C ATOM 248 C GLY A 16 14.721 -2.134 12.646 1.00 0.00 C ATOM 249 O GLY A 16 14.512 -3.148 13.316 1.00 0.00 O ATOM 0 H GLY A 16 15.728 0.857 12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.743 -0.763 13.949 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.996 -0.689 14.063 1.00 0.00 H new ATOM 253 N ALA A 17 14.863 -2.177 11.314 1.00 0.00 N ATOM 254 CA ALA A 17 14.770 -3.391 10.496 1.00 0.00 C ATOM 255 C ALA A 17 15.925 -3.520 9.481 1.00 0.00 C ATOM 256 O ALA A 17 16.483 -2.523 9.010 1.00 0.00 O ATOM 257 CB ALA A 17 13.405 -3.410 9.793 1.00 0.00 C ATOM 0 H ALA A 17 15.052 -1.341 10.760 1.00 0.00 H new ATOM 0 HA ALA A 17 14.861 -4.255 11.155 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.323 -4.308 9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.611 -3.406 10.540 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.310 -2.529 9.158 1.00 0.00 H new ATOM 263 N TYR A 18 16.263 -4.760 9.118 1.00 0.00 N ATOM 264 CA TYR A 18 17.202 -5.063 8.030 1.00 0.00 C ATOM 265 C TYR A 18 16.594 -4.731 6.647 1.00 0.00 C ATOM 266 O TYR A 18 15.367 -4.805 6.498 1.00 0.00 O ATOM 267 CB TYR A 18 17.620 -6.541 8.098 1.00 0.00 C ATOM 268 CG TYR A 18 18.276 -6.943 9.408 1.00 0.00 C ATOM 269 CD1 TYR A 18 17.563 -7.703 10.358 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.601 -6.548 9.678 1.00 0.00 C ATOM 271 CE1 TYR A 18 18.171 -8.064 11.577 1.00 0.00 C ATOM 272 CE2 TYR A 18 20.212 -6.907 10.896 1.00 0.00 C ATOM 273 CZ TYR A 18 19.499 -7.666 11.849 1.00 0.00 C ATOM 274 OH TYR A 18 20.097 -8.010 13.023 1.00 0.00 O ATOM 0 H TYR A 18 15.890 -5.592 9.575 1.00 0.00 H new ATOM 0 HA TYR A 18 18.085 -4.436 8.157 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.739 -7.164 7.939 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.310 -6.750 7.280 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.548 -8.009 10.151 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.150 -5.969 8.950 1.00 0.00 H new ATOM 0 HE1 TYR A 18 17.622 -8.645 12.303 1.00 0.00 H new ATOM 0 HE2 TYR A 18 21.227 -6.601 11.101 1.00 0.00 H new ATOM 0 HH TYR A 18 21.010 -7.654 13.042 1.00 0.00 H new ATOM 284 N PRO A 19 17.404 -4.397 5.619 1.00 0.00 N ATOM 285 CA PRO A 19 16.890 -4.045 4.296 1.00 0.00 C ATOM 286 C PRO A 19 16.102 -5.185 3.627 1.00 0.00 C ATOM 287 O PRO A 19 16.584 -6.317 3.524 1.00 0.00 O ATOM 288 CB PRO A 19 18.103 -3.624 3.457 1.00 0.00 C ATOM 289 CG PRO A 19 19.125 -3.197 4.509 1.00 0.00 C ATOM 290 CD PRO A 19 18.839 -4.152 5.667 1.00 0.00 C ATOM 0 HA PRO A 19 16.167 -3.234 4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.474 -4.446 2.846 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.859 -2.807 2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.147 -3.298 4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 19 18.993 -2.155 4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.400 -5.080 5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.131 -3.712 6.621 1.00 0.00 H new ATOM 298 N LYS A 20 14.895 -4.877 3.140 1.00 0.00 N ATOM 299 CA LYS A 20 14.034 -5.787 2.371 1.00 0.00 C ATOM 300 C LYS A 20 14.459 -5.794 0.900 1.00 0.00 C ATOM 301 O LYS A 20 14.256 -4.810 0.188 1.00 0.00 O ATOM 302 CB LYS A 20 12.564 -5.371 2.577 1.00 0.00 C ATOM 303 CG LYS A 20 11.571 -6.212 1.759 1.00 0.00 C ATOM 304 CD LYS A 20 10.122 -5.930 2.195 1.00 0.00 C ATOM 305 CE LYS A 20 9.076 -6.630 1.310 1.00 0.00 C ATOM 306 NZ LYS A 20 9.170 -8.115 1.361 1.00 0.00 N ATOM 0 H LYS A 20 14.475 -3.957 3.274 1.00 0.00 H new ATOM 0 HA LYS A 20 14.139 -6.813 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.315 -5.456 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.450 -4.322 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.686 -5.988 0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.794 -7.271 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.990 -6.254 3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.946 -4.855 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.078 -6.324 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.201 -6.299 0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.441 -8.530 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.111 -8.415 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.023 -8.439 2.338 1.00 0.00 H new ATOM 320 N LEU A 21 15.049 -6.899 0.445 1.00 0.00 N ATOM 321 CA LEU A 21 15.331 -7.147 -0.974 1.00 0.00 C ATOM 322 C LEU A 21 14.040 -7.533 -1.712 1.00 0.00 C ATOM 323 O LEU A 21 13.292 -8.399 -1.248 1.00 0.00 O ATOM 324 CB LEU A 21 16.397 -8.250 -1.113 1.00 0.00 C ATOM 325 CG LEU A 21 17.803 -7.836 -0.640 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.699 -9.068 -0.514 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.466 -6.870 -1.624 1.00 0.00 C ATOM 0 H LEU A 21 15.349 -7.658 1.057 1.00 0.00 H new ATOM 0 HA LEU A 21 15.720 -6.235 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.077 -9.122 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.453 -8.555 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 21 17.685 -7.343 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.691 -8.764 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.267 -9.759 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.779 -9.561 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.456 -6.600 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.558 -7.350 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.856 -5.971 -1.718 1.00 0.00 H new ATOM 339 N MET A 22 13.781 -6.904 -2.862 1.00 0.00 N ATOM 340 CA MET A 22 12.609 -7.178 -3.709 1.00 0.00 C ATOM 341 C MET A 22 12.847 -6.770 -5.177 1.00 0.00 C ATOM 342 O MET A 22 13.897 -6.225 -5.521 1.00 0.00 O ATOM 343 CB MET A 22 11.374 -6.472 -3.113 1.00 0.00 C ATOM 344 CG MET A 22 11.383 -4.951 -3.298 1.00 0.00 C ATOM 345 SD MET A 22 10.014 -4.259 -4.271 1.00 0.00 S ATOM 346 CE MET A 22 8.615 -4.765 -3.235 1.00 0.00 C ATOM 0 H MET A 22 14.388 -6.177 -3.240 1.00 0.00 H new ATOM 0 HA MET A 22 12.432 -8.253 -3.721 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.475 -6.880 -3.576 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.316 -6.699 -2.049 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.374 -4.485 -2.313 1.00 0.00 H new ATOM 0 HG3 MET A 22 12.321 -4.669 -3.776 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.843 -3.996 -3.265 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.207 -5.704 -3.608 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.953 -4.899 -2.207 1.00 0.00 H new ATOM 356 N GLU A 23 11.860 -7.009 -6.043 1.00 0.00 N ATOM 357 CA GLU A 23 11.858 -6.580 -7.448 1.00 0.00 C ATOM 358 C GLU A 23 10.694 -5.626 -7.742 1.00 0.00 C ATOM 359 O GLU A 23 9.523 -5.978 -7.575 1.00 0.00 O ATOM 360 CB GLU A 23 11.802 -7.802 -8.378 1.00 0.00 C ATOM 361 CG GLU A 23 13.166 -8.495 -8.474 1.00 0.00 C ATOM 362 CD GLU A 23 13.140 -9.801 -9.297 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.177 -10.134 -9.920 1.00 0.00 O ATOM 364 OE2 GLU A 23 12.112 -10.522 -9.308 1.00 0.00 O ATOM 0 H GLU A 23 11.016 -7.520 -5.782 1.00 0.00 H new ATOM 0 HA GLU A 23 12.785 -6.037 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.059 -8.508 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.480 -7.490 -9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.883 -7.807 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.523 -8.716 -7.468 1.00 0.00 H new ATOM 371 N ILE A 24 11.022 -4.427 -8.227 1.00 0.00 N ATOM 372 CA ILE A 24 10.061 -3.460 -8.767 1.00 0.00 C ATOM 373 C ILE A 24 9.808 -3.805 -10.237 1.00 0.00 C ATOM 374 O ILE A 24 10.670 -3.620 -11.098 1.00 0.00 O ATOM 375 CB ILE A 24 10.557 -2.008 -8.547 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.471 -1.692 -7.036 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.758 -0.976 -9.372 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.913 -0.280 -6.639 1.00 0.00 C ATOM 0 H ILE A 24 11.985 -4.092 -8.256 1.00 0.00 H new ATOM 0 HA ILE A 24 9.110 -3.521 -8.239 1.00 0.00 H new ATOM 0 HB ILE A 24 11.588 -1.934 -8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.442 -1.839 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.084 -2.413 -6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.147 0.024 -9.180 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.855 -1.205 -10.433 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.707 -1.017 -9.086 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.815 -0.158 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.953 -0.129 -6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.286 0.454 -7.145 1.00 0.00 H new ATOM 390 N ASP A 25 8.615 -4.325 -10.521 1.00 0.00 N ATOM 391 CA ASP A 25 8.101 -4.505 -11.879 1.00 0.00 C ATOM 392 C ASP A 25 7.519 -3.172 -12.369 1.00 0.00 C ATOM 393 O ASP A 25 6.534 -2.675 -11.819 1.00 0.00 O ATOM 394 CB ASP A 25 7.070 -5.646 -11.874 1.00 0.00 C ATOM 395 CG ASP A 25 6.410 -5.939 -13.234 1.00 0.00 C ATOM 396 OD1 ASP A 25 6.539 -5.128 -14.178 1.00 0.00 O ATOM 397 OD2 ASP A 25 5.740 -6.993 -13.344 1.00 0.00 O ATOM 0 H ASP A 25 7.966 -4.639 -9.800 1.00 0.00 H new ATOM 0 HA ASP A 25 8.893 -4.788 -12.573 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.559 -6.554 -11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.289 -5.405 -11.153 1.00 0.00 H new ATOM 402 N GLN A 26 8.127 -2.581 -13.398 1.00 0.00 N ATOM 403 CA GLN A 26 7.756 -1.264 -13.922 1.00 0.00 C ATOM 404 C GLN A 26 6.371 -1.241 -14.603 1.00 0.00 C ATOM 405 O GLN A 26 5.835 -0.156 -14.845 1.00 0.00 O ATOM 406 CB GLN A 26 8.869 -0.719 -14.835 1.00 0.00 C ATOM 407 CG GLN A 26 10.256 -0.580 -14.165 1.00 0.00 C ATOM 408 CD GLN A 26 10.380 0.576 -13.161 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.461 0.934 -12.434 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.530 1.211 -13.081 1.00 0.00 N ATOM 0 H GLN A 26 8.904 -3.010 -13.900 1.00 0.00 H new ATOM 0 HA GLN A 26 7.656 -0.595 -13.067 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.964 -1.377 -15.699 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.564 0.258 -15.210 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.490 -1.513 -13.652 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.007 -0.447 -14.944 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.310 0.931 -13.676 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.642 1.983 -12.424 1.00 0.00 H new ATOM 419 N LYS A 27 5.762 -2.406 -14.877 1.00 0.00 N ATOM 420 CA LYS A 27 4.377 -2.536 -15.367 1.00 0.00 C ATOM 421 C LYS A 27 3.334 -2.622 -14.238 1.00 0.00 C ATOM 422 O LYS A 27 2.171 -2.289 -14.475 1.00 0.00 O ATOM 423 CB LYS A 27 4.261 -3.760 -16.299 1.00 0.00 C ATOM 424 CG LYS A 27 5.274 -3.800 -17.462 1.00 0.00 C ATOM 425 CD LYS A 27 5.283 -2.558 -18.373 1.00 0.00 C ATOM 426 CE LYS A 27 3.927 -2.232 -19.020 1.00 0.00 C ATOM 427 NZ LYS A 27 3.497 -3.269 -19.997 1.00 0.00 N ATOM 0 H LYS A 27 6.229 -3.306 -14.762 1.00 0.00 H new ATOM 0 HA LYS A 27 4.154 -1.624 -15.920 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.382 -4.664 -15.702 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.254 -3.785 -16.715 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.273 -3.932 -17.047 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.064 -4.677 -18.074 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.609 -1.697 -17.789 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.021 -2.707 -19.161 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.171 -2.135 -18.241 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.991 -1.267 -19.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.578 -3.002 -20.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.204 -3.345 -20.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.408 -4.186 -19.514 1.00 0.00 H new ATOM 441 N LYS A 28 3.718 -3.038 -13.021 1.00 0.00 N ATOM 442 CA LYS A 28 2.840 -3.045 -11.829 1.00 0.00 C ATOM 443 C LYS A 28 2.720 -1.641 -11.216 1.00 0.00 C ATOM 444 O LYS A 28 3.720 -0.920 -11.182 1.00 0.00 O ATOM 445 CB LYS A 28 3.347 -4.039 -10.769 1.00 0.00 C ATOM 446 CG LYS A 28 2.991 -5.487 -11.132 1.00 0.00 C ATOM 447 CD LYS A 28 3.492 -6.505 -10.095 1.00 0.00 C ATOM 448 CE LYS A 28 2.767 -6.380 -8.748 1.00 0.00 C ATOM 449 NZ LYS A 28 3.217 -7.424 -7.793 1.00 0.00 N ATOM 0 H LYS A 28 4.658 -3.384 -12.829 1.00 0.00 H new ATOM 0 HA LYS A 28 1.852 -3.364 -12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.428 -3.944 -10.669 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.914 -3.790 -9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.909 -5.576 -11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.418 -5.728 -12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.355 -7.513 -10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.562 -6.366 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.951 -5.393 -8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.691 -6.465 -8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.638 -7.378 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.113 -8.362 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.215 -7.265 -7.549 1.00 0.00 H new ATOM 463 N PRO A 29 1.544 -1.243 -10.698 1.00 0.00 N ATOM 464 CA PRO A 29 1.356 0.054 -10.046 1.00 0.00 C ATOM 465 C PRO A 29 2.136 0.137 -8.732 1.00 0.00 C ATOM 466 O PRO A 29 2.220 -0.836 -7.976 1.00 0.00 O ATOM 467 CB PRO A 29 -0.151 0.174 -9.801 1.00 0.00 C ATOM 468 CG PRO A 29 -0.618 -1.274 -9.688 1.00 0.00 C ATOM 469 CD PRO A 29 0.325 -2.036 -10.616 1.00 0.00 C ATOM 0 HA PRO A 29 1.730 0.869 -10.666 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.365 0.735 -8.892 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.649 0.692 -10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.550 -1.637 -8.663 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.658 -1.384 -9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.534 -3.032 -10.226 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.121 -2.167 -11.602 1.00 0.00 H new ATOM 477 N LEU A 30 2.662 1.322 -8.423 1.00 0.00 N ATOM 478 CA LEU A 30 3.399 1.558 -7.180 1.00 0.00 C ATOM 479 C LEU A 30 2.537 1.337 -5.933 1.00 0.00 C ATOM 480 O LEU A 30 3.064 0.888 -4.925 1.00 0.00 O ATOM 481 CB LEU A 30 3.988 2.975 -7.191 1.00 0.00 C ATOM 482 CG LEU A 30 5.170 3.122 -8.162 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.414 4.602 -8.412 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.459 2.497 -7.620 1.00 0.00 C ATOM 0 H LEU A 30 2.590 2.143 -9.024 1.00 0.00 H new ATOM 0 HA LEU A 30 4.206 0.827 -7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.208 3.685 -7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.316 3.235 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 30 4.909 2.597 -9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.251 4.722 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.520 5.050 -8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.646 5.097 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.261 2.630 -8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.733 2.983 -6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.301 1.433 -7.444 1.00 0.00 H new ATOM 496 N SER A 31 1.221 1.565 -5.990 1.00 0.00 N ATOM 497 CA SER A 31 0.298 1.270 -4.883 1.00 0.00 C ATOM 498 C SER A 31 0.298 -0.220 -4.501 1.00 0.00 C ATOM 499 O SER A 31 0.410 -0.548 -3.316 1.00 0.00 O ATOM 500 CB SER A 31 -1.117 1.734 -5.251 1.00 0.00 C ATOM 501 OG SER A 31 -1.559 1.116 -6.450 1.00 0.00 O ATOM 0 H SER A 31 0.761 1.962 -6.809 1.00 0.00 H new ATOM 0 HA SER A 31 0.645 1.818 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.804 1.495 -4.440 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.129 2.817 -5.370 1.00 0.00 H new ATOM 0 HG SER A 31 -2.464 1.426 -6.663 1.00 0.00 H new ATOM 507 N ALA A 32 0.258 -1.128 -5.485 1.00 0.00 N ATOM 508 CA ALA A 32 0.366 -2.572 -5.252 1.00 0.00 C ATOM 509 C ALA A 32 1.759 -2.971 -4.730 1.00 0.00 C ATOM 510 O ALA A 32 1.876 -3.788 -3.815 1.00 0.00 O ATOM 511 CB ALA A 32 0.028 -3.310 -6.553 1.00 0.00 C ATOM 0 H ALA A 32 0.149 -0.879 -6.468 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.344 -2.856 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.105 -4.385 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.988 -3.061 -6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.726 -3.009 -7.334 1.00 0.00 H new ATOM 517 N ILE A 33 2.819 -2.359 -5.269 1.00 0.00 N ATOM 518 CA ILE A 33 4.205 -2.597 -4.834 1.00 0.00 C ATOM 519 C ILE A 33 4.407 -2.131 -3.384 1.00 0.00 C ATOM 520 O ILE A 33 4.920 -2.891 -2.571 1.00 0.00 O ATOM 521 CB ILE A 33 5.191 -1.932 -5.822 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.083 -2.620 -7.206 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.644 -1.981 -5.317 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.853 -1.916 -8.325 1.00 0.00 C ATOM 0 H ILE A 33 2.742 -1.679 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 33 4.411 -3.667 -4.845 1.00 0.00 H new ATOM 0 HB ILE A 33 4.916 -0.881 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.448 -3.643 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.032 -2.680 -7.487 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.299 -1.502 -6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.716 -1.457 -4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.948 -3.019 -5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.722 -2.465 -9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.474 -0.901 -8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.912 -1.880 -8.071 1.00 0.00 H new ATOM 536 N ILE A 34 3.952 -0.932 -3.013 1.00 0.00 N ATOM 537 CA ILE A 34 4.055 -0.384 -1.650 1.00 0.00 C ATOM 538 C ILE A 34 3.284 -1.255 -0.644 1.00 0.00 C ATOM 539 O ILE A 34 3.785 -1.492 0.457 1.00 0.00 O ATOM 540 CB ILE A 34 3.600 1.096 -1.640 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.627 1.979 -2.393 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.419 1.645 -0.212 1.00 0.00 C ATOM 543 CD1 ILE A 34 4.042 3.311 -2.879 1.00 0.00 C ATOM 0 H ILE A 34 3.490 -0.297 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 34 5.097 -0.405 -1.331 1.00 0.00 H new ATOM 0 HB ILE A 34 2.633 1.130 -2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.473 2.180 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.013 1.426 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.099 2.686 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.664 1.058 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.365 1.580 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.814 3.880 -3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.214 3.118 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.682 3.884 -2.024 1.00 0.00 H new ATOM 555 N LYS A 35 2.124 -1.814 -1.029 1.00 0.00 N ATOM 556 CA LYS A 35 1.396 -2.812 -0.223 1.00 0.00 C ATOM 557 C LYS A 35 2.220 -4.091 0.007 1.00 0.00 C ATOM 558 O LYS A 35 2.222 -4.644 1.105 1.00 0.00 O ATOM 559 CB LYS A 35 0.039 -3.110 -0.882 1.00 0.00 C ATOM 560 CG LYS A 35 -0.894 -3.898 0.048 1.00 0.00 C ATOM 561 CD LYS A 35 -2.235 -4.194 -0.636 1.00 0.00 C ATOM 562 CE LYS A 35 -3.169 -4.918 0.341 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.466 -5.269 -0.296 1.00 0.00 N ATOM 0 H LYS A 35 1.663 -1.587 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 35 1.220 -2.394 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.440 -2.173 -1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.199 -3.676 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.417 -4.834 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.066 -3.330 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.695 -3.265 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.074 -4.808 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.684 -5.825 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.350 -4.284 1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.071 -5.757 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.940 -4.402 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.295 -5.894 -1.109 1.00 0.00 H new ATOM 577 N GLU A 36 2.967 -4.543 -0.999 1.00 0.00 N ATOM 578 CA GLU A 36 3.894 -5.673 -0.897 1.00 0.00 C ATOM 579 C GLU A 36 5.164 -5.351 -0.077 1.00 0.00 C ATOM 580 O GLU A 36 5.746 -6.259 0.522 1.00 0.00 O ATOM 581 CB GLU A 36 4.226 -6.141 -2.323 1.00 0.00 C ATOM 582 CG GLU A 36 3.066 -6.923 -2.961 1.00 0.00 C ATOM 583 CD GLU A 36 3.238 -7.126 -4.479 1.00 0.00 C ATOM 584 OE1 GLU A 36 4.379 -7.165 -4.995 1.00 0.00 O ATOM 585 OE2 GLU A 36 2.217 -7.286 -5.193 1.00 0.00 O ATOM 0 H GLU A 36 2.945 -4.125 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 36 3.412 -6.477 -0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.463 -5.276 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.116 -6.769 -2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.982 -7.896 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.132 -6.393 -2.775 1.00 0.00 H new ATOM 592 N VAL A 37 5.578 -4.078 0.019 1.00 0.00 N ATOM 593 CA VAL A 37 6.638 -3.630 0.947 1.00 0.00 C ATOM 594 C VAL A 37 6.141 -3.644 2.394 1.00 0.00 C ATOM 595 O VAL A 37 6.740 -4.308 3.243 1.00 0.00 O ATOM 596 CB VAL A 37 7.186 -2.224 0.619 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.338 -1.846 1.559 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.740 -2.115 -0.798 1.00 0.00 C ATOM 0 H VAL A 37 5.187 -3.324 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 37 7.455 -4.341 0.821 1.00 0.00 H new ATOM 0 HB VAL A 37 6.332 -1.557 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.704 -0.851 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.983 -1.849 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.147 -2.568 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.110 -1.104 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.556 -2.826 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.950 -2.337 -1.516 1.00 0.00 H new ATOM 608 N CYS A 38 5.059 -2.912 2.684 1.00 0.00 N ATOM 609 CA CYS A 38 4.591 -2.650 4.050 1.00 0.00 C ATOM 610 C CYS A 38 4.194 -3.938 4.796 1.00 0.00 C ATOM 611 O CYS A 38 4.460 -4.057 5.992 1.00 0.00 O ATOM 612 CB CYS A 38 3.460 -1.610 3.992 1.00 0.00 C ATOM 613 SG CYS A 38 1.908 -2.315 3.382 1.00 0.00 S ATOM 0 H CYS A 38 4.476 -2.479 1.967 1.00 0.00 H new ATOM 0 HA CYS A 38 5.411 -2.239 4.639 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.301 -1.194 4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.761 -0.785 3.346 1.00 0.00 H new ATOM 0 HG CYS A 38 2.167 -3.251 2.518 1.00 0.00 H new ATOM 619 N ASP A 39 3.651 -4.936 4.089 1.00 0.00 N ATOM 620 CA ASP A 39 3.320 -6.259 4.634 1.00 0.00 C ATOM 621 C ASP A 39 4.554 -7.016 5.175 1.00 0.00 C ATOM 622 O ASP A 39 4.445 -7.773 6.140 1.00 0.00 O ATOM 623 CB ASP A 39 2.635 -7.077 3.528 1.00 0.00 C ATOM 624 CG ASP A 39 2.096 -8.432 4.021 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.421 -8.478 5.076 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.313 -9.452 3.325 1.00 0.00 O ATOM 0 H ASP A 39 3.424 -4.845 3.099 1.00 0.00 H new ATOM 0 HA ASP A 39 2.655 -6.119 5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.812 -6.496 3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.345 -7.248 2.719 1.00 0.00 H new ATOM 631 N GLY A 40 5.745 -6.760 4.616 1.00 0.00 N ATOM 632 CA GLY A 40 7.017 -7.327 5.082 1.00 0.00 C ATOM 633 C GLY A 40 7.429 -6.870 6.491 1.00 0.00 C ATOM 634 O GLY A 40 8.158 -7.586 7.181 1.00 0.00 O ATOM 0 H GLY A 40 5.853 -6.141 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.943 -8.414 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.804 -7.054 4.379 1.00 0.00 H new ATOM 638 N TRP A 41 6.916 -5.719 6.941 1.00 0.00 N ATOM 639 CA TRP A 41 7.090 -5.164 8.289 1.00 0.00 C ATOM 640 C TRP A 41 5.761 -5.022 9.065 1.00 0.00 C ATOM 641 O TRP A 41 5.725 -4.410 10.135 1.00 0.00 O ATOM 642 CB TRP A 41 7.863 -3.843 8.165 1.00 0.00 C ATOM 643 CG TRP A 41 9.241 -3.958 7.578 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.215 -4.789 8.015 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.818 -3.237 6.444 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.342 -4.643 7.232 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.161 -3.688 6.258 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.348 -2.246 5.554 1.00 0.00 C ATOM 649 CZ2 TRP A 41 11.996 -3.179 5.255 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.179 -1.729 4.542 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.496 -2.193 4.391 1.00 0.00 C ATOM 0 H TRP A 41 6.341 -5.121 6.348 1.00 0.00 H new ATOM 0 HA TRP A 41 7.668 -5.863 8.894 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.280 -3.157 7.551 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.944 -3.394 9.155 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.124 -5.466 8.852 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.202 -5.177 7.359 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.337 -1.880 5.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.008 -3.540 5.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.800 -0.968 3.875 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.124 -1.791 3.610 1.00 0.00 H new ATOM 662 N SER A 42 4.669 -5.594 8.541 1.00 0.00 N ATOM 663 CA SER A 42 3.299 -5.519 9.083 1.00 0.00 C ATOM 664 C SER A 42 2.791 -4.074 9.303 1.00 0.00 C ATOM 665 O SER A 42 2.052 -3.780 10.248 1.00 0.00 O ATOM 666 CB SER A 42 3.173 -6.434 10.315 1.00 0.00 C ATOM 667 OG SER A 42 1.820 -6.757 10.609 1.00 0.00 O ATOM 0 H SER A 42 4.715 -6.149 7.687 1.00 0.00 H new ATOM 0 HA SER A 42 2.615 -5.900 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.734 -7.352 10.142 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.623 -5.943 11.178 1.00 0.00 H new ATOM 0 HG SER A 42 1.278 -5.940 10.595 1.00 0.00 H new ATOM 673 N LEU A 43 3.211 -3.139 8.441 1.00 0.00 N ATOM 674 CA LEU A 43 2.826 -1.725 8.490 1.00 0.00 C ATOM 675 C LEU A 43 1.438 -1.522 7.855 1.00 0.00 C ATOM 676 O LEU A 43 1.198 -1.923 6.713 1.00 0.00 O ATOM 677 CB LEU A 43 3.921 -0.885 7.804 1.00 0.00 C ATOM 678 CG LEU A 43 5.252 -0.841 8.577 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.349 -0.292 7.669 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.174 0.034 9.830 1.00 0.00 C ATOM 0 H LEU A 43 3.845 -3.352 7.671 1.00 0.00 H new ATOM 0 HA LEU A 43 2.743 -1.391 9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.104 -1.289 6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.555 0.133 7.673 1.00 0.00 H new ATOM 0 HG LEU A 43 5.474 -1.861 8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.292 -0.260 8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.456 -0.937 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.084 0.714 7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.139 0.030 10.337 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.918 1.055 9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.410 -0.358 10.501 1.00 0.00 H new ATOM 692 N ALA A 44 0.520 -0.913 8.608 1.00 0.00 N ATOM 693 CA ALA A 44 -0.863 -0.661 8.198 1.00 0.00 C ATOM 694 C ALA A 44 -1.009 0.561 7.263 1.00 0.00 C ATOM 695 O ALA A 44 -0.116 1.405 7.171 1.00 0.00 O ATOM 696 CB ALA A 44 -1.711 -0.500 9.469 1.00 0.00 C ATOM 0 H ALA A 44 0.724 -0.572 9.547 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.212 -1.509 7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.748 -0.311 9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.654 -1.413 10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.333 0.338 10.055 1.00 0.00 H new ATOM 702 N ASN A 45 -2.179 0.674 6.620 1.00 0.00 N ATOM 703 CA ASN A 45 -2.612 1.825 5.810 1.00 0.00 C ATOM 704 C ASN A 45 -1.609 2.212 4.701 1.00 0.00 C ATOM 705 O ASN A 45 -1.106 3.337 4.659 1.00 0.00 O ATOM 706 CB ASN A 45 -3.001 3.002 6.729 1.00 0.00 C ATOM 707 CG ASN A 45 -4.041 2.638 7.775 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.090 2.080 7.480 1.00 0.00 O ATOM 709 ND2 ASN A 45 -3.786 2.922 9.034 1.00 0.00 N ATOM 0 H ASN A 45 -2.881 -0.065 6.650 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.504 1.526 5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.107 3.371 7.231 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.383 3.819 6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.461 2.677 9.759 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.914 3.387 9.285 1.00 0.00 H new ATOM 716 N HIS A 46 -1.323 1.284 3.778 1.00 0.00 N ATOM 717 CA HIS A 46 -0.338 1.471 2.700 1.00 0.00 C ATOM 718 C HIS A 46 -0.668 2.645 1.759 1.00 0.00 C ATOM 719 O HIS A 46 0.227 3.181 1.110 1.00 0.00 O ATOM 720 CB HIS A 46 -0.211 0.163 1.909 1.00 0.00 C ATOM 721 CG HIS A 46 -1.375 -0.117 0.999 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.559 -0.769 1.354 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.474 0.318 -0.287 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.335 -0.727 0.258 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.712 -0.079 -0.740 1.00 0.00 N ATOM 0 H HIS A 46 -1.774 0.370 3.757 1.00 0.00 H new ATOM 0 HA HIS A 46 0.612 1.729 3.168 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.702 0.197 1.314 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.104 -0.665 2.610 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.728 0.867 -0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.324 -1.155 0.189 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.091 0.090 -1.672 1.00 0.00 H new ATOM 733 N GLU A 47 -1.928 3.092 1.728 1.00 0.00 N ATOM 734 CA GLU A 47 -2.381 4.305 1.031 1.00 0.00 C ATOM 735 C GLU A 47 -1.626 5.573 1.480 1.00 0.00 C ATOM 736 O GLU A 47 -1.465 6.509 0.693 1.00 0.00 O ATOM 737 CB GLU A 47 -3.881 4.523 1.307 1.00 0.00 C ATOM 738 CG GLU A 47 -4.813 3.378 0.880 1.00 0.00 C ATOM 739 CD GLU A 47 -4.830 3.090 -0.640 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.272 1.984 -1.034 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.447 3.967 -1.454 1.00 0.00 O ATOM 0 H GLU A 47 -2.688 2.604 2.203 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.183 4.149 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.013 4.695 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.197 5.433 0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.515 2.470 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.827 3.614 1.203 1.00 0.00 H new ATOM 748 N TYR A 48 -1.155 5.614 2.733 1.00 0.00 N ATOM 749 CA TYR A 48 -0.387 6.736 3.285 1.00 0.00 C ATOM 750 C TYR A 48 1.086 6.721 2.845 1.00 0.00 C ATOM 751 O TYR A 48 1.765 7.739 2.964 1.00 0.00 O ATOM 752 CB TYR A 48 -0.404 6.690 4.823 1.00 0.00 C ATOM 753 CG TYR A 48 -1.731 6.655 5.568 1.00 0.00 C ATOM 754 CD1 TYR A 48 -2.983 6.809 4.929 1.00 0.00 C ATOM 755 CD2 TYR A 48 -1.684 6.469 6.962 1.00 0.00 C ATOM 756 CE1 TYR A 48 -4.173 6.728 5.678 1.00 0.00 C ATOM 757 CE2 TYR A 48 -2.868 6.418 7.718 1.00 0.00 C ATOM 758 CZ TYR A 48 -4.120 6.538 7.077 1.00 0.00 C ATOM 759 OH TYR A 48 -5.265 6.465 7.811 1.00 0.00 O ATOM 0 H TYR A 48 -1.299 4.857 3.401 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.863 7.640 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.162 5.810 5.127 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.145 7.561 5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.027 6.989 3.865 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.729 6.364 7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.129 6.811 5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.820 6.287 8.789 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.040 6.331 8.755 1.00 0.00 H new ATOM 769 N PHE A 49 1.604 5.574 2.397 1.00 0.00 N ATOM 770 CA PHE A 49 3.029 5.341 2.153 1.00 0.00 C ATOM 771 C PHE A 49 3.486 5.659 0.724 1.00 0.00 C ATOM 772 O PHE A 49 2.709 5.666 -0.233 1.00 0.00 O ATOM 773 CB PHE A 49 3.397 3.908 2.571 1.00 0.00 C ATOM 774 CG PHE A 49 3.591 3.763 4.069 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.487 3.574 4.922 1.00 0.00 C ATOM 776 CD2 PHE A 49 4.883 3.872 4.619 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.671 3.509 6.314 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.064 3.809 6.012 1.00 0.00 C ATOM 779 CZ PHE A 49 3.960 3.627 6.861 1.00 0.00 C ATOM 0 H PHE A 49 1.027 4.759 2.188 1.00 0.00 H new ATOM 0 HA PHE A 49 3.576 6.051 2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.612 3.226 2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.312 3.609 2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.495 3.479 4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.736 4.004 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.820 3.368 6.964 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.055 3.901 6.431 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.101 3.578 7.931 1.00 0.00 H new ATOM 789 N ALA A 50 4.793 5.892 0.604 1.00 0.00 N ATOM 790 CA ALA A 50 5.550 6.063 -0.627 1.00 0.00 C ATOM 791 C ALA A 50 6.972 5.502 -0.455 1.00 0.00 C ATOM 792 O ALA A 50 7.533 5.487 0.644 1.00 0.00 O ATOM 793 CB ALA A 50 5.580 7.554 -0.994 1.00 0.00 C ATOM 0 H ALA A 50 5.390 5.971 1.427 1.00 0.00 H new ATOM 0 HA ALA A 50 5.072 5.512 -1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.146 7.691 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.561 7.914 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.055 8.117 -0.190 1.00 0.00 H new ATOM 799 N LEU A 51 7.564 5.031 -1.551 1.00 0.00 N ATOM 800 CA LEU A 51 8.990 4.720 -1.599 1.00 0.00 C ATOM 801 C LEU A 51 9.776 6.011 -1.863 1.00 0.00 C ATOM 802 O LEU A 51 9.265 6.953 -2.471 1.00 0.00 O ATOM 803 CB LEU A 51 9.245 3.639 -2.664 1.00 0.00 C ATOM 804 CG LEU A 51 8.916 2.220 -2.166 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.875 1.250 -3.346 1.00 0.00 C ATOM 806 CD2 LEU A 51 9.961 1.716 -1.168 1.00 0.00 C ATOM 0 H LEU A 51 7.071 4.855 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 51 9.332 4.317 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.645 3.857 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.290 3.678 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 51 7.946 2.267 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.642 0.248 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.109 1.569 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.845 1.240 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.695 0.712 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.940 1.694 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.993 2.383 -0.307 1.00 0.00 H new ATOM 818 N GLN A 52 11.027 6.055 -1.419 1.00 0.00 N ATOM 819 CA GLN A 52 11.928 7.198 -1.571 1.00 0.00 C ATOM 820 C GLN A 52 13.364 6.701 -1.769 1.00 0.00 C ATOM 821 O GLN A 52 13.727 5.636 -1.272 1.00 0.00 O ATOM 822 CB GLN A 52 11.766 8.106 -0.337 1.00 0.00 C ATOM 823 CG GLN A 52 12.314 9.529 -0.512 1.00 0.00 C ATOM 824 CD GLN A 52 12.200 10.357 0.764 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.565 9.933 1.852 1.00 0.00 O ATOM 826 NE2 GLN A 52 11.761 11.593 0.689 1.00 0.00 N ATOM 0 H GLN A 52 11.459 5.272 -0.927 1.00 0.00 H new ATOM 0 HA GLN A 52 11.682 7.786 -2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.707 8.167 -0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.269 7.639 0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.359 9.478 -0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.772 10.028 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.451 11.971 -0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.730 12.175 1.526 1.00 0.00 H new ATOM 835 N HIS A 53 14.195 7.451 -2.490 1.00 0.00 N ATOM 836 CA HIS A 53 15.630 7.141 -2.621 1.00 0.00 C ATOM 837 C HIS A 53 16.342 7.227 -1.262 1.00 0.00 C ATOM 838 O HIS A 53 16.070 8.135 -0.476 1.00 0.00 O ATOM 839 CB HIS A 53 16.277 8.066 -3.658 1.00 0.00 C ATOM 840 CG HIS A 53 16.076 7.593 -5.079 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.857 6.626 -5.720 1.00 0.00 N ATOM 842 CD2 HIS A 53 15.088 7.992 -5.932 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.330 6.477 -6.948 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.272 7.291 -7.105 1.00 0.00 N ATOM 0 H HIS A 53 13.903 8.285 -2.999 1.00 0.00 H new ATOM 0 HA HIS A 53 15.734 6.114 -2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.861 9.068 -3.552 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.345 8.141 -3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.313 8.716 -5.728 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.704 5.799 -7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.703 7.376 -7.947 1.00 0.00 H new ATOM 930 N TYR A 60 10.962 11.145 -3.783 1.00 0.00 N ATOM 931 CA TYR A 60 9.901 10.138 -3.726 1.00 0.00 C ATOM 932 C TYR A 60 9.748 9.424 -5.077 1.00 0.00 C ATOM 933 O TYR A 60 9.873 10.032 -6.145 1.00 0.00 O ATOM 934 CB TYR A 60 8.573 10.768 -3.288 1.00 0.00 C ATOM 935 CG TYR A 60 8.595 11.386 -1.900 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.438 10.569 -0.762 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.757 12.777 -1.748 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.432 11.147 0.523 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.763 13.355 -0.464 1.00 0.00 C ATOM 940 CZ TYR A 60 8.596 12.540 0.678 1.00 0.00 C ATOM 941 OH TYR A 60 8.596 13.090 1.922 1.00 0.00 O ATOM 0 HA TYR A 60 10.184 9.393 -2.982 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.295 11.536 -4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.796 10.005 -3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.322 9.501 -0.875 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.877 13.403 -2.620 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.301 10.521 1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.895 14.421 -0.352 1.00 0.00 H new ATOM 0 HH TYR A 60 8.721 14.059 1.851 1.00 0.00 H new ATOM 951 N ILE A 61 9.458 8.127 -5.033 1.00 0.00 N ATOM 952 CA ILE A 61 9.161 7.307 -6.207 1.00 0.00 C ATOM 953 C ILE A 61 7.689 7.496 -6.598 1.00 0.00 C ATOM 954 O ILE A 61 6.791 7.377 -5.761 1.00 0.00 O ATOM 955 CB ILE A 61 9.519 5.832 -5.934 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.980 5.637 -5.454 1.00 0.00 C ATOM 957 CG2 ILE A 61 9.235 4.962 -7.169 1.00 0.00 C ATOM 958 CD1 ILE A 61 12.070 6.312 -6.302 1.00 0.00 C ATOM 0 H ILE A 61 9.422 7.602 -4.159 1.00 0.00 H new ATOM 0 HA ILE A 61 9.772 7.625 -7.052 1.00 0.00 H new ATOM 0 HB ILE A 61 8.877 5.509 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.058 6.013 -4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.188 4.568 -5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.495 3.926 -6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.177 5.025 -7.423 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.831 5.318 -8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.048 6.105 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.034 5.921 -7.319 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.902 7.389 -6.321 1.00 0.00 H new ATOM 970 N THR A 62 7.445 7.784 -7.876 1.00 0.00 N ATOM 971 CA THR A 62 6.120 8.072 -8.453 1.00 0.00 C ATOM 972 C THR A 62 6.018 7.468 -9.852 1.00 0.00 C ATOM 973 O THR A 62 7.031 7.112 -10.459 1.00 0.00 O ATOM 974 CB THR A 62 5.837 9.587 -8.538 1.00 0.00 C ATOM 975 OG1 THR A 62 6.612 10.169 -9.566 1.00 0.00 O ATOM 976 CG2 THR A 62 6.117 10.358 -7.249 1.00 0.00 C ATOM 0 H THR A 62 8.191 7.826 -8.571 1.00 0.00 H new ATOM 0 HA THR A 62 5.378 7.626 -7.791 1.00 0.00 H new ATOM 0 HB THR A 62 4.768 9.663 -8.738 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.424 11.130 -9.613 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.891 11.414 -7.400 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.493 9.964 -6.447 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.167 10.247 -6.980 1.00 0.00 H new ATOM 984 N GLU A 63 4.816 7.400 -10.424 1.00 0.00 N ATOM 985 CA GLU A 63 4.612 6.931 -11.806 1.00 0.00 C ATOM 986 C GLU A 63 5.294 7.829 -12.869 1.00 0.00 C ATOM 987 O GLU A 63 5.399 7.434 -14.034 1.00 0.00 O ATOM 988 CB GLU A 63 3.104 6.768 -12.081 1.00 0.00 C ATOM 989 CG GLU A 63 2.374 5.788 -11.136 1.00 0.00 C ATOM 990 CD GLU A 63 2.848 4.321 -11.214 1.00 0.00 C ATOM 991 OE1 GLU A 63 2.448 3.513 -10.343 1.00 0.00 O ATOM 992 OE2 GLU A 63 3.612 3.954 -12.139 1.00 0.00 O ATOM 0 H GLU A 63 3.954 7.667 -9.948 1.00 0.00 H new ATOM 0 HA GLU A 63 5.101 5.961 -11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.628 7.746 -12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.971 6.427 -13.108 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.496 6.138 -10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.308 5.820 -11.359 1.00 0.00 H new ATOM 999 N LYS A 64 5.801 9.009 -12.471 1.00 0.00 N ATOM 1000 CA LYS A 64 6.602 9.941 -13.288 1.00 0.00 C ATOM 1001 C LYS A 64 8.108 9.959 -12.944 1.00 0.00 C ATOM 1002 O LYS A 64 8.867 10.641 -13.635 1.00 0.00 O ATOM 1003 CB LYS A 64 5.995 11.354 -13.181 1.00 0.00 C ATOM 1004 CG LYS A 64 4.564 11.426 -13.744 1.00 0.00 C ATOM 1005 CD LYS A 64 4.024 12.863 -13.684 1.00 0.00 C ATOM 1006 CE LYS A 64 2.571 12.968 -14.175 1.00 0.00 C ATOM 1007 NZ LYS A 64 2.443 12.733 -15.638 1.00 0.00 N ATOM 0 H LYS A 64 5.657 9.357 -11.523 1.00 0.00 H new ATOM 0 HA LYS A 64 6.555 9.581 -14.316 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.987 11.664 -12.136 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.629 12.060 -13.718 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.556 11.073 -14.775 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.911 10.764 -13.175 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.085 13.228 -12.659 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.657 13.511 -14.291 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.957 12.244 -13.639 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.181 13.957 -13.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.444 12.815 -15.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.006 13.439 -16.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.789 11.780 -15.868 1.00 0.00 H new ATOM 1021 N ASN A 65 8.547 9.235 -11.904 1.00 0.00 N ATOM 1022 CA ASN A 65 9.933 9.246 -11.392 1.00 0.00 C ATOM 1023 C ASN A 65 10.558 7.843 -11.196 1.00 0.00 C ATOM 1024 O ASN A 65 11.777 7.714 -11.069 1.00 0.00 O ATOM 1025 CB ASN A 65 9.948 10.081 -10.094 1.00 0.00 C ATOM 1026 CG ASN A 65 11.348 10.494 -9.657 1.00 0.00 C ATOM 1027 OD1 ASN A 65 12.197 10.865 -10.454 1.00 0.00 O ATOM 1028 ND2 ASN A 65 11.634 10.475 -8.375 1.00 0.00 N ATOM 0 H ASN A 65 7.936 8.609 -11.380 1.00 0.00 H new ATOM 0 HA ASN A 65 10.572 9.700 -12.149 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.342 10.975 -10.239 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.481 9.505 -9.295 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.557 10.768 -8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.933 10.167 -7.701 1.00 0.00 H new ATOM 1035 N ARG A 66 9.755 6.768 -11.206 1.00 0.00 N ATOM 1036 CA ARG A 66 10.206 5.364 -11.070 1.00 0.00 C ATOM 1037 C ARG A 66 11.151 4.879 -12.176 1.00 0.00 C ATOM 1038 O ARG A 66 11.870 3.901 -11.981 1.00 0.00 O ATOM 1039 CB ARG A 66 8.974 4.447 -10.962 1.00 0.00 C ATOM 1040 CG ARG A 66 8.130 4.402 -12.253 1.00 0.00 C ATOM 1041 CD ARG A 66 6.819 3.636 -12.063 1.00 0.00 C ATOM 1042 NE ARG A 66 7.054 2.236 -11.681 1.00 0.00 N ATOM 1043 CZ ARG A 66 6.128 1.333 -11.442 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.860 1.561 -11.581 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.462 0.144 -11.050 1.00 0.00 N ATOM 0 H ARG A 66 8.744 6.848 -11.312 1.00 0.00 H new ATOM 0 HA ARG A 66 10.804 5.320 -10.160 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.302 3.437 -10.716 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.347 4.788 -10.138 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.910 5.419 -12.576 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.710 3.933 -13.048 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.220 4.126 -11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.242 3.668 -12.987 1.00 0.00 H new ATOM 0 HE ARG A 66 8.025 1.937 -11.593 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.538 2.478 -11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.184 0.823 -11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.446 -0.094 -10.926 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.741 -0.554 -10.866 1.00 0.00 H new ATOM 1059 N ASN A 67 11.185 5.574 -13.314 1.00 0.00 N ATOM 1060 CA ASN A 67 12.114 5.325 -14.421 1.00 0.00 C ATOM 1061 C ASN A 67 13.594 5.553 -14.030 1.00 0.00 C ATOM 1062 O ASN A 67 14.489 5.011 -14.677 1.00 0.00 O ATOM 1063 CB ASN A 67 11.718 6.240 -15.596 1.00 0.00 C ATOM 1064 CG ASN A 67 12.042 7.699 -15.308 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.397 8.348 -14.497 1.00 0.00 O ATOM 1066 ND2 ASN A 67 13.087 8.224 -15.904 1.00 0.00 N ATOM 0 H ASN A 67 10.548 6.349 -13.498 1.00 0.00 H new ATOM 0 HA ASN A 67 12.038 4.275 -14.703 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.242 5.922 -16.497 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.651 6.136 -15.794 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.367 9.182 -15.692 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.619 7.674 -16.579 1.00 0.00 H new ATOM 1073 N GLU A 68 13.861 6.349 -12.986 1.00 0.00 N ATOM 1074 CA GLU A 68 15.216 6.612 -12.478 1.00 0.00 C ATOM 1075 C GLU A 68 15.806 5.429 -11.678 1.00 0.00 C ATOM 1076 O GLU A 68 17.012 5.397 -11.422 1.00 0.00 O ATOM 1077 CB GLU A 68 15.209 7.885 -11.610 1.00 0.00 C ATOM 1078 CG GLU A 68 14.695 9.152 -12.316 1.00 0.00 C ATOM 1079 CD GLU A 68 15.427 9.506 -13.628 1.00 0.00 C ATOM 1080 OE1 GLU A 68 16.656 9.274 -13.741 1.00 0.00 O ATOM 1081 OE2 GLU A 68 14.776 10.055 -14.551 1.00 0.00 O ATOM 0 H GLU A 68 13.133 6.835 -12.463 1.00 0.00 H new ATOM 0 HA GLU A 68 15.859 6.752 -13.347 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.593 7.703 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.223 8.071 -11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.634 9.025 -12.532 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.783 9.994 -11.629 1.00 0.00 H new ATOM 1088 N ILE A 69 14.979 4.452 -11.281 1.00 0.00 N ATOM 1089 CA ILE A 69 15.405 3.241 -10.569 1.00 0.00 C ATOM 1090 C ILE A 69 16.125 2.284 -11.534 1.00 0.00 C ATOM 1091 O ILE A 69 15.616 1.972 -12.615 1.00 0.00 O ATOM 1092 CB ILE A 69 14.197 2.549 -9.891 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.464 3.518 -8.930 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.644 1.291 -9.125 1.00 0.00 C ATOM 1095 CD1 ILE A 69 12.190 2.929 -8.315 1.00 0.00 C ATOM 0 H ILE A 69 13.974 4.483 -11.450 1.00 0.00 H new ATOM 0 HA ILE A 69 16.106 3.525 -9.784 1.00 0.00 H new ATOM 0 HB ILE A 69 13.505 2.253 -10.679 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.145 3.805 -8.128 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.208 4.428 -9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.778 0.823 -8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 69 15.107 0.588 -9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.365 1.570 -8.356 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.732 3.664 -7.654 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.490 2.668 -9.109 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.441 2.035 -7.744 1.00 0.00 H new ATOM 1107 N LYS A 70 17.283 1.772 -11.106 1.00 0.00 N ATOM 1108 CA LYS A 70 18.053 0.697 -11.759 1.00 0.00 C ATOM 1109 C LYS A 70 18.189 -0.536 -10.859 1.00 0.00 C ATOM 1110 O LYS A 70 17.931 -0.465 -9.656 1.00 0.00 O ATOM 1111 CB LYS A 70 19.417 1.244 -12.229 1.00 0.00 C ATOM 1112 CG LYS A 70 20.328 1.707 -11.077 1.00 0.00 C ATOM 1113 CD LYS A 70 21.681 2.197 -11.606 1.00 0.00 C ATOM 1114 CE LYS A 70 22.565 2.651 -10.438 1.00 0.00 C ATOM 1115 NZ LYS A 70 23.887 3.141 -10.909 1.00 0.00 N ATOM 0 H LYS A 70 17.734 2.108 -10.255 1.00 0.00 H new ATOM 0 HA LYS A 70 17.506 0.359 -12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.932 0.471 -12.799 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.249 2.081 -12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.839 2.508 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.483 0.884 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.176 1.399 -12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.532 3.022 -12.303 1.00 0.00 H new ATOM 0 HE2 LYS A 70 22.059 3.442 -9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.710 1.821 -9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 24.458 3.439 -10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.380 2.378 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.750 3.949 -11.549 1.00 0.00 H new ATOM 1129 N ASN A 71 18.631 -1.663 -11.413 1.00 0.00 N ATOM 1130 CA ASN A 71 18.946 -2.856 -10.625 1.00 0.00 C ATOM 1131 C ASN A 71 20.047 -2.556 -9.583 1.00 0.00 C ATOM 1132 O ASN A 71 21.110 -2.025 -9.915 1.00 0.00 O ATOM 1133 CB ASN A 71 19.308 -4.031 -11.557 1.00 0.00 C ATOM 1134 CG ASN A 71 20.501 -3.761 -12.467 1.00 0.00 C ATOM 1135 OD1 ASN A 71 20.469 -2.899 -13.336 1.00 0.00 O ATOM 1136 ND2 ASN A 71 21.582 -4.494 -12.319 1.00 0.00 N ATOM 0 H ASN A 71 18.781 -1.777 -12.416 1.00 0.00 H new ATOM 0 HA ASN A 71 18.063 -3.155 -10.060 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.521 -4.910 -10.949 1.00 0.00 H new ATOM 0 HB3 ASN A 71 18.442 -4.271 -12.174 1.00 0.00 H new ATOM 0 HD21 ASN A 71 22.388 -4.343 -12.926 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.615 -5.214 -11.597 1.00 0.00 H new ATOM 1143 N GLY A 72 19.777 -2.882 -8.316 1.00 0.00 N ATOM 1144 CA GLY A 72 20.640 -2.584 -7.167 1.00 0.00 C ATOM 1145 C GLY A 72 20.411 -1.211 -6.511 1.00 0.00 C ATOM 1146 O GLY A 72 21.215 -0.812 -5.667 1.00 0.00 O ATOM 0 H GLY A 72 18.925 -3.376 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.493 -3.357 -6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.680 -2.646 -7.489 1.00 0.00 H new ATOM 1150 N THR A 73 19.343 -0.479 -6.863 1.00 0.00 N ATOM 1151 CA THR A 73 19.005 0.809 -6.215 1.00 0.00 C ATOM 1152 C THR A 73 18.620 0.603 -4.748 1.00 0.00 C ATOM 1153 O THR A 73 17.780 -0.246 -4.434 1.00 0.00 O ATOM 1154 CB THR A 73 17.861 1.544 -6.937 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.226 1.808 -8.269 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.501 2.899 -6.327 1.00 0.00 C ATOM 0 H THR A 73 18.691 -0.755 -7.597 1.00 0.00 H new ATOM 0 HA THR A 73 19.902 1.426 -6.276 1.00 0.00 H new ATOM 0 HB THR A 73 17.003 0.877 -6.848 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.331 0.962 -8.753 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.687 3.349 -6.895 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.188 2.761 -5.292 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.371 3.555 -6.358 1.00 0.00 H new ATOM 1164 N ILE A 74 19.202 1.397 -3.844 1.00 0.00 N ATOM 1165 CA ILE A 74 18.812 1.428 -2.429 1.00 0.00 C ATOM 1166 C ILE A 74 17.703 2.475 -2.231 1.00 0.00 C ATOM 1167 O ILE A 74 17.857 3.648 -2.584 1.00 0.00 O ATOM 1168 CB ILE A 74 20.024 1.660 -1.496 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.220 0.740 -1.848 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.600 1.422 -0.033 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.504 1.086 -1.089 1.00 0.00 C ATOM 0 H ILE A 74 19.960 2.040 -4.073 1.00 0.00 H new ATOM 0 HA ILE A 74 18.416 0.452 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 74 20.353 2.690 -1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.948 -0.293 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.413 0.803 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.454 1.585 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.801 2.114 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.245 0.398 0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.298 0.401 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.801 2.108 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.329 0.995 -0.017 1.00 0.00 H new ATOM 1183 N LEU A 75 16.582 2.043 -1.658 1.00 0.00 N ATOM 1184 CA LEU A 75 15.395 2.840 -1.350 1.00 0.00 C ATOM 1185 C LEU A 75 15.101 2.811 0.160 1.00 0.00 C ATOM 1186 O LEU A 75 15.709 2.054 0.917 1.00 0.00 O ATOM 1187 CB LEU A 75 14.192 2.293 -2.149 1.00 0.00 C ATOM 1188 CG LEU A 75 14.328 2.296 -3.684 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.069 1.687 -4.299 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.490 3.705 -4.256 1.00 0.00 C ATOM 0 H LEU A 75 16.471 1.068 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 75 15.574 3.876 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.004 1.269 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.311 2.878 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 75 15.221 1.720 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.159 1.686 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.949 0.663 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.200 2.276 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.582 3.649 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.618 4.306 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.386 4.166 -3.840 1.00 0.00 H new ATOM 1202 N ARG A 76 14.126 3.604 0.599 1.00 0.00 N ATOM 1203 CA ARG A 76 13.532 3.572 1.941 1.00 0.00 C ATOM 1204 C ARG A 76 12.021 3.770 1.864 1.00 0.00 C ATOM 1205 O ARG A 76 11.522 4.479 0.988 1.00 0.00 O ATOM 1206 CB ARG A 76 14.230 4.571 2.884 1.00 0.00 C ATOM 1207 CG ARG A 76 14.006 6.042 2.500 1.00 0.00 C ATOM 1208 CD ARG A 76 14.895 6.980 3.326 1.00 0.00 C ATOM 1209 NE ARG A 76 14.770 8.374 2.857 1.00 0.00 N ATOM 1210 CZ ARG A 76 15.726 9.183 2.431 1.00 0.00 C ATOM 1211 NH1 ARG A 76 16.991 8.900 2.515 1.00 0.00 N ATOM 1212 NH2 ARG A 76 15.402 10.324 1.903 1.00 0.00 N ATOM 0 H ARG A 76 13.707 4.320 0.005 1.00 0.00 H new ATOM 0 HA ARG A 76 13.696 2.586 2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.869 4.411 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.300 4.365 2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.218 6.179 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.959 6.304 2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.615 6.920 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.934 6.660 3.254 1.00 0.00 H new ATOM 0 HE ARG A 76 13.827 8.763 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.290 8.016 2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.686 9.562 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.420 10.587 1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.129 10.957 1.571 1.00 0.00 H new ATOM 1226 N LEU A 77 11.302 3.131 2.775 1.00 0.00 N ATOM 1227 CA LEU A 77 9.860 3.305 2.956 1.00 0.00 C ATOM 1228 C LEU A 77 9.582 4.509 3.870 1.00 0.00 C ATOM 1229 O LEU A 77 10.280 4.717 4.863 1.00 0.00 O ATOM 1230 CB LEU A 77 9.271 1.987 3.488 1.00 0.00 C ATOM 1231 CG LEU A 77 7.763 1.996 3.757 1.00 0.00 C ATOM 1232 CD1 LEU A 77 6.975 2.075 2.445 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.352 0.717 4.473 1.00 0.00 C ATOM 0 H LEU A 77 11.710 2.461 3.426 1.00 0.00 H new ATOM 0 HA LEU A 77 9.371 3.528 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.489 1.197 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.785 1.728 4.413 1.00 0.00 H new ATOM 0 HG LEU A 77 7.543 2.868 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.907 2.080 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.242 2.989 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.215 1.212 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.278 0.733 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.599 -0.144 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.884 0.644 5.422 1.00 0.00 H new ATOM 1245 N THR A 78 8.572 5.311 3.536 1.00 0.00 N ATOM 1246 CA THR A 78 8.219 6.541 4.262 1.00 0.00 C ATOM 1247 C THR A 78 6.753 6.925 4.008 1.00 0.00 C ATOM 1248 O THR A 78 6.168 6.509 3.007 1.00 0.00 O ATOM 1249 CB THR A 78 9.203 7.665 3.868 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.927 8.855 4.575 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.213 7.997 2.370 1.00 0.00 C ATOM 0 H THR A 78 7.962 5.125 2.740 1.00 0.00 H new ATOM 0 HA THR A 78 8.310 6.375 5.335 1.00 0.00 H new ATOM 0 HB THR A 78 10.185 7.270 4.130 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.565 9.549 4.308 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.930 8.795 2.179 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.497 7.111 1.803 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.219 8.321 2.063 1.00 0.00 H new ATOM 1259 N THR A 79 6.112 7.686 4.898 1.00 0.00 N ATOM 1260 CA THR A 79 4.790 8.268 4.602 1.00 0.00 C ATOM 1261 C THR A 79 4.915 9.389 3.557 1.00 0.00 C ATOM 1262 O THR A 79 5.861 10.179 3.568 1.00 0.00 O ATOM 1263 CB THR A 79 4.042 8.735 5.861 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.856 9.539 6.693 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.525 7.552 6.687 1.00 0.00 C ATOM 0 H THR A 79 6.478 7.915 5.822 1.00 0.00 H new ATOM 0 HA THR A 79 4.177 7.472 4.178 1.00 0.00 H new ATOM 0 HB THR A 79 3.199 9.325 5.503 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.344 9.817 7.481 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.002 7.924 7.568 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.840 6.958 6.082 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.365 6.931 6.999 1.00 0.00 H new ATOM 1273 N SER A 80 3.965 9.430 2.622 1.00 0.00 N ATOM 1274 CA SER A 80 3.968 10.281 1.424 1.00 0.00 C ATOM 1275 C SER A 80 3.941 11.791 1.738 1.00 0.00 C ATOM 1276 O SER A 80 3.467 12.194 2.806 1.00 0.00 O ATOM 1277 CB SER A 80 2.758 9.914 0.548 1.00 0.00 C ATOM 1278 OG SER A 80 1.539 10.311 1.155 1.00 0.00 O ATOM 0 H SER A 80 3.132 8.844 2.679 1.00 0.00 H new ATOM 0 HA SER A 80 4.906 10.093 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.854 10.393 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.746 8.838 0.374 1.00 0.00 H new ATOM 0 HG SER A 80 1.288 9.659 1.842 1.00 0.00 H new