USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 986 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 CYS SG : rot 107:sc= -4.04! USER MOD Set 1.2: A 73 LYS NZ :NH3+ -116:sc= 1 (180deg=-0.0577) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -110:sc= 0.339 (180deg=-0.713) USER MOD Set 2.2: A 105 TYR OH : rot 144:sc= 1.52 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 12 GLN : amide:sc= -2.13 X(o=-2.1,f=-2.6) USER MOD Single : A 25 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 26 TYR OH : rot 0:sc= -0.0758 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= -0.961 (180deg=-1.48) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 31 ASN : amide:sc= -0.0108 K(o=-0.011,f=-1.4) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -10.7! C(o=-11!,f=-11!) USER MOD Single : A 49 GLN : amide:sc= -3.18 K(o=-3.2,f=-3.9!) USER MOD Single : A 50 MET CE :methyl 138:sc= -4.91! (180deg=-9.14!) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -3.56! C(o=-4.2!,f=-3.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 141:sc= -1.67 (180deg=-6.1!) USER MOD Single : A 74 ASN : amide:sc= -0.0569 K(o=-0.057,f=-1.2) USER MOD Single : A 78 THR OG1 : rot 37:sc= -1.66 USER MOD Single : A 81 THR OG1 : rot -106:sc= 0.68 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.283 K(o=-0.28,f=-2!) USER MOD Single : A 100 CYS SG : rot -51:sc= 0.826 USER MOD Single : A 104 GLN : amide:sc= -0.0825 X(o=-0.082,f=0) USER MOD Single : A 107 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.6!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.0609 K(o=-0.061,f=-0.64) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.329 USER MOD Single : A 119 TYR OH : rot 165:sc= -1.35 USER MOD Single : A 121 THR OG1 : rot 87:sc= -0.422 USER MOD Single : A 123 MET CE :methyl 177:sc= -12.9! (180deg=-13.5!) USER MOD Single : A 125 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.2) USER MOD Single : A 126 ASN : amide:sc= -3.84 K(o=-3.8,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 156 N ARG A 10 7.778 16.426 4.329 1.00 0.00 N ATOM 157 CA ARG A 10 8.413 15.126 4.506 1.00 0.00 C ATOM 158 C ARG A 10 8.683 14.462 3.160 1.00 0.00 C ATOM 159 O ARG A 10 8.110 14.847 2.142 1.00 0.00 O ATOM 160 CB ARG A 10 7.532 14.218 5.368 1.00 0.00 C ATOM 161 CG ARG A 10 7.639 14.504 6.857 1.00 0.00 C ATOM 162 CD ARG A 10 6.627 13.694 7.654 1.00 0.00 C ATOM 163 NE ARG A 10 6.643 14.043 9.073 1.00 0.00 N ATOM 164 CZ ARG A 10 7.553 13.598 9.936 1.00 0.00 C ATOM 165 NH1 ARG A 10 8.523 12.788 9.530 1.00 0.00 N ATOM 166 NH2 ARG A 10 7.494 13.964 11.209 1.00 0.00 N ATOM 0 HA ARG A 10 9.367 15.282 5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.493 14.333 5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.806 13.179 5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.646 14.271 7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.479 15.567 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.629 13.863 7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.842 12.632 7.539 1.00 0.00 H new ATOM 0 HE ARG A 10 5.914 14.664 9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.574 12.503 8.552 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.218 12.450 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.751 14.587 11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.191 13.623 11.871 1.00 0.00 H new ATOM 180 N GLN A 11 9.558 13.460 3.164 1.00 0.00 N ATOM 181 CA GLN A 11 9.900 12.741 1.942 1.00 0.00 C ATOM 182 C GLN A 11 8.789 11.771 1.555 1.00 0.00 C ATOM 183 O GLN A 11 7.921 11.449 2.367 1.00 0.00 O ATOM 184 CB GLN A 11 11.217 11.983 2.123 1.00 0.00 C ATOM 185 CG GLN A 11 12.094 11.983 0.881 1.00 0.00 C ATOM 186 CD GLN A 11 13.039 13.166 0.834 1.00 0.00 C ATOM 187 OE1 GLN A 11 13.948 13.284 1.657 1.00 0.00 O ATOM 188 NE2 GLN A 11 12.832 14.053 -0.133 1.00 0.00 N ATOM 0 H GLN A 11 10.042 13.129 3.999 1.00 0.00 H new ATOM 0 HA GLN A 11 10.017 13.470 1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.772 12.427 2.949 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.998 10.953 2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.672 11.060 0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.461 11.993 -0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.067 13.917 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.438 14.870 -0.214 1.00 0.00 H new ATOM 197 N GLN A 12 8.819 11.311 0.308 1.00 0.00 N ATOM 198 CA GLN A 12 7.813 10.379 -0.186 1.00 0.00 C ATOM 199 C GLN A 12 8.457 9.086 -0.673 1.00 0.00 C ATOM 200 O GLN A 12 9.032 9.037 -1.761 1.00 0.00 O ATOM 201 CB GLN A 12 7.013 11.020 -1.321 1.00 0.00 C ATOM 202 CG GLN A 12 5.993 12.039 -0.842 1.00 0.00 C ATOM 203 CD GLN A 12 6.622 13.167 -0.048 1.00 0.00 C ATOM 204 OE1 GLN A 12 7.411 13.949 -0.580 1.00 0.00 O ATOM 205 NE2 GLN A 12 6.275 13.256 1.229 1.00 0.00 N ATOM 0 H GLN A 12 9.529 11.569 -0.378 1.00 0.00 H new ATOM 0 HA GLN A 12 7.141 10.139 0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.702 11.505 -2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.499 10.238 -1.880 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.469 12.454 -1.703 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.247 11.538 -0.225 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.617 12.585 1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.666 13.995 1.813 1.00 0.00 H new ATOM 214 N ARG A 13 8.359 8.041 0.140 1.00 0.00 N ATOM 215 CA ARG A 13 8.932 6.747 -0.202 1.00 0.00 C ATOM 216 C ARG A 13 7.836 5.690 -0.329 1.00 0.00 C ATOM 217 O ARG A 13 7.077 5.453 0.612 1.00 0.00 O ATOM 218 CB ARG A 13 9.953 6.337 0.860 1.00 0.00 C ATOM 219 CG ARG A 13 11.264 5.827 0.284 1.00 0.00 C ATOM 220 CD ARG A 13 12.352 5.764 1.346 1.00 0.00 C ATOM 221 NE ARG A 13 13.340 6.829 1.185 1.00 0.00 N ATOM 222 CZ ARG A 13 14.404 6.743 0.387 1.00 0.00 C ATOM 223 NH1 ARG A 13 14.613 5.651 -0.339 1.00 0.00 N ATOM 224 NH2 ARG A 13 15.258 7.754 0.311 1.00 0.00 N ATOM 0 H ARG A 13 7.886 8.066 1.043 1.00 0.00 H new ATOM 0 HA ARG A 13 9.436 6.828 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.158 7.193 1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.517 5.561 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.114 4.836 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.584 6.480 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.898 5.838 2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.851 4.796 1.296 1.00 0.00 H new ATOM 0 HE ARG A 13 13.207 7.690 1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.957 4.871 -0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.429 5.592 -0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.101 8.597 0.863 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.072 7.689 -0.300 1.00 0.00 H new ATOM 238 N PHE A 14 7.753 5.061 -1.499 1.00 0.00 N ATOM 239 CA PHE A 14 6.746 4.033 -1.750 1.00 0.00 C ATOM 240 C PHE A 14 7.390 2.653 -1.814 1.00 0.00 C ATOM 241 O PHE A 14 8.545 2.518 -2.218 1.00 0.00 O ATOM 242 CB PHE A 14 6.004 4.322 -3.058 1.00 0.00 C ATOM 243 CG PHE A 14 5.648 5.770 -3.243 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.626 6.703 -3.552 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.339 6.198 -3.107 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.303 8.036 -3.722 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.009 7.529 -3.276 1.00 0.00 C ATOM 248 CZ PHE A 14 4.992 8.450 -3.583 1.00 0.00 C ATOM 0 H PHE A 14 8.372 5.245 -2.289 1.00 0.00 H new ATOM 0 HA PHE A 14 6.032 4.048 -0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.623 3.999 -3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.092 3.726 -3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.652 6.384 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.566 5.483 -2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.074 8.753 -3.963 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.983 7.849 -3.168 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.736 9.491 -3.714 1.00 0.00 H new ATOM 258 N PHE A 15 6.647 1.629 -1.401 1.00 0.00 N ATOM 259 CA PHE A 15 7.171 0.266 -1.409 1.00 0.00 C ATOM 260 C PHE A 15 6.088 -0.765 -1.701 1.00 0.00 C ATOM 261 O PHE A 15 4.919 -0.583 -1.356 1.00 0.00 O ATOM 262 CB PHE A 15 7.836 -0.052 -0.067 1.00 0.00 C ATOM 263 CG PHE A 15 8.640 1.086 0.486 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.007 2.184 1.046 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.024 1.065 0.443 1.00 0.00 C ATOM 266 CE1 PHE A 15 8.739 3.238 1.552 1.00 0.00 C ATOM 267 CE2 PHE A 15 10.762 2.118 0.948 1.00 0.00 C ATOM 268 CZ PHE A 15 10.118 3.206 1.504 1.00 0.00 C ATOM 0 H PHE A 15 5.690 1.715 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 15 7.908 0.209 -2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.067 -0.327 0.654 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.485 -0.920 -0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.928 2.215 1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.532 0.216 0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.233 4.088 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.841 2.090 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.692 4.030 1.900 1.00 0.00 H new ATOM 278 N ARG A 16 6.505 -1.859 -2.331 1.00 0.00 N ATOM 279 CA ARG A 16 5.611 -2.956 -2.675 1.00 0.00 C ATOM 280 C ARG A 16 6.388 -4.266 -2.641 1.00 0.00 C ATOM 281 O ARG A 16 7.521 -4.331 -3.119 1.00 0.00 O ATOM 282 CB ARG A 16 5.002 -2.738 -4.063 1.00 0.00 C ATOM 283 CG ARG A 16 4.150 -3.902 -4.552 1.00 0.00 C ATOM 284 CD ARG A 16 4.356 -4.164 -6.036 1.00 0.00 C ATOM 285 NE ARG A 16 4.538 -5.585 -6.320 1.00 0.00 N ATOM 286 CZ ARG A 16 5.025 -6.055 -7.467 1.00 0.00 C ATOM 287 NH1 ARG A 16 5.379 -5.221 -8.437 1.00 0.00 N ATOM 288 NH2 ARG A 16 5.159 -7.363 -7.644 1.00 0.00 N ATOM 0 H ARG A 16 7.473 -2.009 -2.617 1.00 0.00 H new ATOM 0 HA ARG A 16 4.798 -2.996 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.391 -1.836 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.806 -2.563 -4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.400 -4.799 -3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.098 -3.688 -4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.497 -3.790 -6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.228 -3.610 -6.385 1.00 0.00 H new ATOM 0 HE ARG A 16 4.277 -6.256 -5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.279 -4.214 -8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.751 -5.587 -9.313 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.889 -8.008 -6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.532 -7.723 -8.522 1.00 0.00 H new ATOM 302 N ILE A 17 5.794 -5.306 -2.065 1.00 0.00 N ATOM 303 CA ILE A 17 6.475 -6.595 -1.975 1.00 0.00 C ATOM 304 C ILE A 17 5.521 -7.769 -2.195 1.00 0.00 C ATOM 305 O ILE A 17 4.448 -7.832 -1.593 1.00 0.00 O ATOM 306 CB ILE A 17 7.185 -6.774 -0.612 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.467 -5.979 0.489 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.643 -6.352 -0.716 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.219 -5.945 1.804 1.00 0.00 C ATOM 0 H ILE A 17 4.858 -5.285 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 17 7.219 -6.594 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 17 7.148 -7.829 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.310 -4.957 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.481 -6.414 0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.130 -6.483 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.147 -6.966 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.698 -5.304 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.652 -5.366 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.353 -6.962 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.194 -5.482 1.653 1.00 0.00 H new ATOM 321 N PRO A 18 5.914 -8.726 -3.060 1.00 0.00 N ATOM 322 CA PRO A 18 5.116 -9.908 -3.358 1.00 0.00 C ATOM 323 C PRO A 18 5.451 -11.065 -2.424 1.00 0.00 C ATOM 324 O PRO A 18 6.570 -11.577 -2.434 1.00 0.00 O ATOM 325 CB PRO A 18 5.546 -10.234 -4.783 1.00 0.00 C ATOM 326 CG PRO A 18 6.987 -9.842 -4.836 1.00 0.00 C ATOM 327 CD PRO A 18 7.181 -8.737 -3.819 1.00 0.00 C ATOM 0 HA PRO A 18 4.045 -9.743 -3.238 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.414 -11.293 -5.005 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.956 -9.679 -5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.627 -10.694 -4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.257 -9.499 -5.835 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.034 -8.937 -3.170 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.366 -7.777 -4.302 1.00 0.00 H new ATOM 335 N PHE A 19 4.481 -11.470 -1.614 1.00 0.00 N ATOM 336 CA PHE A 19 4.686 -12.564 -0.672 1.00 0.00 C ATOM 337 C PHE A 19 3.518 -13.541 -0.711 1.00 0.00 C ATOM 338 O PHE A 19 2.383 -13.157 -0.985 1.00 0.00 O ATOM 339 CB PHE A 19 4.862 -12.016 0.746 1.00 0.00 C ATOM 340 CG PHE A 19 3.711 -11.170 1.207 1.00 0.00 C ATOM 341 CD1 PHE A 19 3.416 -9.976 0.569 1.00 0.00 C ATOM 342 CD2 PHE A 19 2.922 -11.568 2.273 1.00 0.00 C ATOM 343 CE1 PHE A 19 2.357 -9.196 0.985 1.00 0.00 C ATOM 344 CE2 PHE A 19 1.860 -10.791 2.695 1.00 0.00 C ATOM 345 CZ PHE A 19 1.577 -9.604 2.050 1.00 0.00 C ATOM 0 H PHE A 19 3.548 -11.059 -1.590 1.00 0.00 H new ATOM 0 HA PHE A 19 5.591 -13.097 -0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.989 -12.850 1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.777 -11.425 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.022 -9.652 -0.264 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.139 -12.496 2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.138 -8.267 0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.252 -11.112 3.528 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.747 -8.995 2.377 1.00 0.00 H new ATOM 355 N ILE A 20 3.808 -14.807 -0.435 1.00 0.00 N ATOM 356 CA ILE A 20 2.782 -15.839 -0.437 1.00 0.00 C ATOM 357 C ILE A 20 2.300 -16.135 0.974 1.00 0.00 C ATOM 358 O ILE A 20 3.090 -16.177 1.917 1.00 0.00 O ATOM 359 CB ILE A 20 3.291 -17.148 -1.069 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.088 -16.850 -2.336 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.129 -18.076 -1.379 1.00 0.00 C ATOM 362 CD1 ILE A 20 4.682 -18.085 -2.976 1.00 0.00 C ATOM 0 H ILE A 20 4.744 -15.142 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 20 1.956 -15.453 -1.034 1.00 0.00 H new ATOM 0 HB ILE A 20 3.947 -17.645 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.438 -16.353 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.890 -16.152 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.507 -18.996 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.596 -18.312 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.449 -17.587 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.235 -17.801 -3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.357 -18.571 -2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.883 -18.775 -3.247 1.00 0.00 H new ATOM 374 N ARG A 21 1.000 -16.347 1.108 1.00 0.00 N ATOM 375 CA ARG A 21 0.408 -16.648 2.402 1.00 0.00 C ATOM 376 C ARG A 21 0.924 -17.990 2.922 1.00 0.00 C ATOM 377 O ARG A 21 0.813 -19.006 2.240 1.00 0.00 O ATOM 378 CB ARG A 21 -1.117 -16.671 2.293 1.00 0.00 C ATOM 379 CG ARG A 21 -1.795 -15.603 3.131 1.00 0.00 C ATOM 380 CD ARG A 21 -3.269 -15.476 2.779 1.00 0.00 C ATOM 381 NE ARG A 21 -4.102 -16.373 3.576 1.00 0.00 N ATOM 382 CZ ARG A 21 -5.333 -16.745 3.231 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.879 -16.293 2.108 1.00 0.00 N ATOM 384 NH2 ARG A 21 -6.021 -17.566 4.012 1.00 0.00 N ATOM 0 H ARG A 21 0.334 -16.316 0.336 1.00 0.00 H new ATOM 0 HA ARG A 21 0.695 -15.869 3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.402 -16.539 1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.482 -17.651 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.691 -15.847 4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.298 -14.646 2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.592 -14.447 2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.409 -15.696 1.721 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.718 -16.736 4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.355 -15.658 1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.822 -16.581 1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.607 -17.913 4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.964 -17.851 3.747 1.00 0.00 H new ATOM 398 N PRO A 22 1.502 -18.014 4.137 1.00 0.00 N ATOM 399 CA PRO A 22 2.039 -19.242 4.730 1.00 0.00 C ATOM 400 C PRO A 22 1.084 -20.425 4.609 1.00 0.00 C ATOM 401 O PRO A 22 1.470 -21.505 4.158 1.00 0.00 O ATOM 402 CB PRO A 22 2.236 -18.862 6.196 1.00 0.00 C ATOM 403 CG PRO A 22 2.493 -17.395 6.170 1.00 0.00 C ATOM 404 CD PRO A 22 1.685 -16.847 5.024 1.00 0.00 C ATOM 0 HA PRO A 22 2.949 -19.570 4.228 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.353 -19.100 6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.073 -19.404 6.637 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.198 -16.931 7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.554 -17.188 6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.729 -16.447 5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.208 -16.036 4.517 1.00 0.00 H new ATOM 412 N ALA A 23 -0.162 -20.214 5.008 1.00 0.00 N ATOM 413 CA ALA A 23 -1.172 -21.263 4.947 1.00 0.00 C ATOM 414 C ALA A 23 -1.206 -21.911 3.573 1.00 0.00 C ATOM 415 O ALA A 23 -1.006 -23.115 3.438 1.00 0.00 O ATOM 416 CB ALA A 23 -2.540 -20.699 5.301 1.00 0.00 C ATOM 0 H ALA A 23 -0.499 -19.325 5.378 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.908 -22.030 5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.285 -21.493 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.514 -20.288 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.802 -19.911 4.595 1.00 0.00 H new ATOM 422 N ASP A 24 -1.451 -21.092 2.561 1.00 0.00 N ATOM 423 CA ASP A 24 -1.513 -21.559 1.179 1.00 0.00 C ATOM 424 C ASP A 24 -0.136 -21.995 0.682 1.00 0.00 C ATOM 425 O ASP A 24 -0.015 -22.891 -0.158 1.00 0.00 O ATOM 426 CB ASP A 24 -2.060 -20.442 0.283 1.00 0.00 C ATOM 427 CG ASP A 24 -3.316 -20.853 -0.462 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.669 -22.050 -0.422 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.946 -19.974 -1.089 1.00 0.00 O ATOM 0 H ASP A 24 -1.612 -20.091 2.670 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.177 -22.422 1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.275 -19.565 0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.295 -20.151 -0.436 1.00 0.00 H new ATOM 434 N GLN A 25 0.891 -21.340 1.205 1.00 0.00 N ATOM 435 CA GLN A 25 2.272 -21.611 0.829 1.00 0.00 C ATOM 436 C GLN A 25 2.641 -23.088 0.959 1.00 0.00 C ATOM 437 O GLN A 25 3.293 -23.645 0.075 1.00 0.00 O ATOM 438 CB GLN A 25 3.207 -20.733 1.681 1.00 0.00 C ATOM 439 CG GLN A 25 4.625 -21.267 1.850 1.00 0.00 C ATOM 440 CD GLN A 25 5.637 -20.509 1.012 1.00 0.00 C ATOM 441 OE1 GLN A 25 6.328 -21.089 0.177 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.726 -19.202 1.235 1.00 0.00 N ATOM 0 H GLN A 25 0.790 -20.604 1.904 1.00 0.00 H new ATOM 0 HA GLN A 25 2.389 -21.363 -0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.261 -19.743 1.229 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.763 -20.609 2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.910 -21.206 2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.648 -22.321 1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.132 -18.763 1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.388 -18.638 0.703 1.00 0.00 H new ATOM 451 N TYR A 26 2.264 -23.713 2.065 1.00 0.00 N ATOM 452 CA TYR A 26 2.618 -25.117 2.283 1.00 0.00 C ATOM 453 C TYR A 26 1.498 -26.091 1.925 1.00 0.00 C ATOM 454 O TYR A 26 1.768 -27.186 1.430 1.00 0.00 O ATOM 455 CB TYR A 26 3.063 -25.357 3.729 1.00 0.00 C ATOM 456 CG TYR A 26 2.372 -24.493 4.753 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.046 -24.714 5.099 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.055 -23.464 5.388 1.00 0.00 C ATOM 459 CE1 TYR A 26 0.419 -23.932 6.045 1.00 0.00 C ATOM 460 CE2 TYR A 26 2.437 -22.678 6.340 1.00 0.00 C ATOM 461 CZ TYR A 26 1.119 -22.915 6.665 1.00 0.00 C ATOM 462 OH TYR A 26 0.497 -22.133 7.611 1.00 0.00 O ATOM 0 H TYR A 26 1.723 -23.284 2.816 1.00 0.00 H new ATOM 0 HA TYR A 26 3.447 -25.316 1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.889 -26.403 3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.138 -25.188 3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.497 -25.511 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.087 -23.275 5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.615 -24.113 6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.983 -21.883 6.827 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.430 -22.430 7.723 1.00 0.00 H new ATOM 472 N LYS A 27 0.252 -25.720 2.186 1.00 0.00 N ATOM 473 CA LYS A 27 -0.863 -26.615 1.886 1.00 0.00 C ATOM 474 C LYS A 27 -0.919 -26.953 0.402 1.00 0.00 C ATOM 475 O LYS A 27 -1.338 -28.047 0.025 1.00 0.00 O ATOM 476 CB LYS A 27 -2.195 -26.018 2.336 1.00 0.00 C ATOM 477 CG LYS A 27 -2.473 -24.646 1.765 1.00 0.00 C ATOM 478 CD LYS A 27 -3.483 -23.895 2.617 1.00 0.00 C ATOM 479 CE LYS A 27 -4.906 -24.162 2.158 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.164 -25.615 1.961 1.00 0.00 N ATOM 0 H LYS A 27 -0.012 -24.824 2.597 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.692 -27.535 2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.001 -26.692 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.206 -25.957 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.545 -24.077 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.851 -24.742 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.374 -24.193 3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.278 -22.826 2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.605 -23.766 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.092 -23.631 1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.182 -25.770 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.639 -25.951 1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.852 -26.140 2.802 1.00 0.00 H new ATOM 494 N ASP A 28 -0.501 -26.016 -0.443 1.00 0.00 N ATOM 495 CA ASP A 28 -0.517 -26.247 -1.883 1.00 0.00 C ATOM 496 C ASP A 28 0.539 -25.403 -2.597 1.00 0.00 C ATOM 497 O ASP A 28 0.570 -24.182 -2.450 1.00 0.00 O ATOM 498 CB ASP A 28 -1.902 -25.934 -2.448 1.00 0.00 C ATOM 499 CG ASP A 28 -2.924 -26.999 -2.097 1.00 0.00 C ATOM 500 OD1 ASP A 28 -2.768 -28.147 -2.563 1.00 0.00 O ATOM 501 OD2 ASP A 28 -3.879 -26.684 -1.358 1.00 0.00 O ATOM 0 H ASP A 28 -0.151 -25.100 -0.160 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.282 -27.297 -2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.239 -24.971 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.837 -25.840 -3.532 1.00 0.00 H new ATOM 506 N PRO A 29 1.416 -26.045 -3.390 1.00 0.00 N ATOM 507 CA PRO A 29 2.466 -25.343 -4.132 1.00 0.00 C ATOM 508 C PRO A 29 1.905 -24.561 -5.314 1.00 0.00 C ATOM 509 O PRO A 29 2.461 -23.540 -5.716 1.00 0.00 O ATOM 510 CB PRO A 29 3.371 -26.473 -4.620 1.00 0.00 C ATOM 511 CG PRO A 29 2.466 -27.645 -4.735 1.00 0.00 C ATOM 512 CD PRO A 29 1.453 -27.500 -3.634 1.00 0.00 C ATOM 0 HA PRO A 29 2.981 -24.605 -3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.830 -26.229 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.182 -26.664 -3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.980 -27.668 -5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.021 -28.577 -4.633 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.477 -27.882 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.750 -28.049 -2.741 1.00 0.00 H new ATOM 520 N GLN A 30 0.793 -25.047 -5.859 1.00 0.00 N ATOM 521 CA GLN A 30 0.145 -24.394 -6.989 1.00 0.00 C ATOM 522 C GLN A 30 -0.944 -23.446 -6.503 1.00 0.00 C ATOM 523 O GLN A 30 -1.060 -22.317 -6.980 1.00 0.00 O ATOM 524 CB GLN A 30 -0.453 -25.437 -7.936 1.00 0.00 C ATOM 525 CG GLN A 30 0.585 -26.336 -8.582 1.00 0.00 C ATOM 526 CD GLN A 30 0.972 -25.875 -9.973 1.00 0.00 C ATOM 527 OE1 GLN A 30 1.394 -24.734 -10.166 1.00 0.00 O ATOM 528 NE2 GLN A 30 0.828 -26.760 -10.952 1.00 0.00 N ATOM 0 H GLN A 30 0.323 -25.892 -5.535 1.00 0.00 H new ATOM 0 HA GLN A 30 0.896 -23.818 -7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.162 -26.053 -7.383 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.016 -24.926 -8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.475 -26.367 -7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.196 -27.353 -8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.475 -27.695 -10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.071 -26.505 -11.909 1.00 0.00 H new ATOM 537 N ASN A 31 -1.735 -23.912 -5.544 1.00 0.00 N ATOM 538 CA ASN A 31 -2.811 -23.110 -4.979 1.00 0.00 C ATOM 539 C ASN A 31 -2.282 -22.228 -3.853 1.00 0.00 C ATOM 540 O ASN A 31 -2.780 -22.272 -2.728 1.00 0.00 O ATOM 541 CB ASN A 31 -3.930 -24.015 -4.452 1.00 0.00 C ATOM 542 CG ASN A 31 -4.847 -24.500 -5.556 1.00 0.00 C ATOM 543 OD1 ASN A 31 -4.633 -24.208 -6.733 1.00 0.00 O ATOM 544 ND2 ASN A 31 -5.879 -25.247 -5.181 1.00 0.00 N ATOM 0 H ASN A 31 -1.650 -24.845 -5.141 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.214 -22.472 -5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.491 -24.874 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.515 -23.471 -3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.532 -25.603 -5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.019 -25.465 -4.194 1.00 0.00 H new ATOM 551 N LYS A 32 -1.262 -21.432 -4.161 1.00 0.00 N ATOM 552 CA LYS A 32 -0.659 -20.544 -3.175 1.00 0.00 C ATOM 553 C LYS A 32 -0.712 -19.092 -3.639 1.00 0.00 C ATOM 554 O LYS A 32 0.315 -18.488 -3.946 1.00 0.00 O ATOM 555 CB LYS A 32 0.788 -20.957 -2.899 1.00 0.00 C ATOM 556 CG LYS A 32 1.498 -21.533 -4.109 1.00 0.00 C ATOM 557 CD LYS A 32 1.736 -20.470 -5.168 1.00 0.00 C ATOM 558 CE LYS A 32 2.858 -20.868 -6.113 1.00 0.00 C ATOM 559 NZ LYS A 32 3.399 -19.696 -6.857 1.00 0.00 N ATOM 0 H LYS A 32 -0.836 -21.385 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.233 -20.628 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.343 -20.089 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.799 -21.695 -2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.451 -21.964 -3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.903 -22.343 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.820 -20.309 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.983 -19.524 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.660 -21.340 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.490 -21.610 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.162 -20.009 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.640 -19.260 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.774 -18.999 -6.182 1.00 0.00 H new ATOM 573 N LYS A 33 -1.919 -18.537 -3.686 1.00 0.00 N ATOM 574 CA LYS A 33 -2.121 -17.152 -4.110 1.00 0.00 C ATOM 575 C LYS A 33 -1.048 -16.235 -3.525 1.00 0.00 C ATOM 576 O LYS A 33 -0.707 -16.337 -2.347 1.00 0.00 O ATOM 577 CB LYS A 33 -3.508 -16.665 -3.686 1.00 0.00 C ATOM 578 CG LYS A 33 -4.643 -17.544 -4.191 1.00 0.00 C ATOM 579 CD LYS A 33 -4.576 -17.729 -5.699 1.00 0.00 C ATOM 580 CE LYS A 33 -3.859 -19.018 -6.070 1.00 0.00 C ATOM 581 NZ LYS A 33 -4.558 -19.748 -7.163 1.00 0.00 N ATOM 0 H LYS A 33 -2.778 -19.027 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.045 -17.119 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.551 -16.620 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.655 -15.649 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.597 -18.517 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.599 -17.096 -3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.585 -17.741 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.059 -16.881 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.839 -18.790 -6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.789 -19.660 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.038 -20.620 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.523 -19.989 -6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.603 -19.146 -8.010 1.00 0.00 H new ATOM 595 N LYS A 34 -0.515 -15.349 -4.358 1.00 0.00 N ATOM 596 CA LYS A 34 0.526 -14.424 -3.921 1.00 0.00 C ATOM 597 C LYS A 34 -0.073 -13.078 -3.531 1.00 0.00 C ATOM 598 O LYS A 34 -0.535 -12.321 -4.385 1.00 0.00 O ATOM 599 CB LYS A 34 1.587 -14.221 -5.014 1.00 0.00 C ATOM 600 CG LYS A 34 1.682 -15.353 -6.034 1.00 0.00 C ATOM 601 CD LYS A 34 2.939 -16.190 -5.838 1.00 0.00 C ATOM 602 CE LYS A 34 4.200 -15.337 -5.874 1.00 0.00 C ATOM 603 NZ LYS A 34 5.079 -15.691 -7.023 1.00 0.00 N ATOM 0 H LYS A 34 -0.785 -15.251 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 34 1.007 -14.865 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.371 -13.292 -5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.560 -14.098 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.803 -15.992 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.677 -14.936 -7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.882 -16.713 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.993 -16.951 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.924 -14.284 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.751 -15.465 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.926 -15.088 -7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.364 -16.689 -6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.562 -15.544 -7.914 1.00 0.00 H new ATOM 617 N GLY A 35 -0.057 -12.782 -2.237 1.00 0.00 N ATOM 618 CA GLY A 35 -0.599 -11.525 -1.759 1.00 0.00 C ATOM 619 C GLY A 35 0.400 -10.390 -1.864 1.00 0.00 C ATOM 620 O GLY A 35 1.504 -10.472 -1.321 1.00 0.00 O ATOM 0 H GLY A 35 0.322 -13.390 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.491 -11.275 -2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.910 -11.638 -0.720 1.00 0.00 H new ATOM 624 N TRP A 36 0.017 -9.327 -2.563 1.00 0.00 N ATOM 625 CA TRP A 36 0.890 -8.173 -2.737 1.00 0.00 C ATOM 626 C TRP A 36 0.540 -7.075 -1.740 1.00 0.00 C ATOM 627 O TRP A 36 -0.629 -6.733 -1.564 1.00 0.00 O ATOM 628 CB TRP A 36 0.785 -7.643 -4.168 1.00 0.00 C ATOM 629 CG TRP A 36 1.211 -8.647 -5.193 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.482 -9.078 -5.437 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.364 -9.350 -6.111 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.479 -10.008 -6.449 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.190 -10.192 -6.879 1.00 0.00 C ATOM 634 CE3 TRP A 36 -1.011 -9.349 -6.355 1.00 0.00 C ATOM 635 CZ2 TRP A 36 0.685 -11.025 -7.873 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.512 -10.175 -7.343 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.666 -11.004 -8.091 1.00 0.00 C ATOM 0 H TRP A 36 -0.892 -9.241 -3.018 1.00 0.00 H new ATOM 0 HA TRP A 36 1.917 -8.488 -2.552 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.245 -7.344 -4.365 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.400 -6.749 -4.265 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.362 -8.738 -4.912 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.302 -10.484 -6.820 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.671 -8.714 -5.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.335 -11.665 -8.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.574 -10.182 -7.542 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.088 -11.639 -8.855 1.00 0.00 H new ATOM 648 N TRP A 37 1.561 -6.533 -1.084 1.00 0.00 N ATOM 649 CA TRP A 37 1.360 -5.480 -0.095 1.00 0.00 C ATOM 650 C TRP A 37 1.977 -4.163 -0.556 1.00 0.00 C ATOM 651 O TRP A 37 3.192 -4.065 -0.744 1.00 0.00 O ATOM 652 CB TRP A 37 1.963 -5.902 1.246 1.00 0.00 C ATOM 653 CG TRP A 37 1.680 -4.951 2.369 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.462 -4.657 2.909 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.640 -4.178 3.096 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.605 -3.749 3.932 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.935 -3.438 4.065 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.028 -4.040 3.022 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.574 -2.575 4.953 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.660 -3.184 3.903 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.934 -2.462 4.855 1.00 0.00 C ATOM 0 H TRP A 37 2.535 -6.805 -1.219 1.00 0.00 H new ATOM 0 HA TRP A 37 0.288 -5.326 0.024 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.578 -6.887 1.512 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.042 -6.002 1.132 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.478 -5.076 2.581 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.153 -3.369 4.499 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.597 -4.593 2.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.017 -2.017 5.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.733 -3.071 3.856 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.459 -1.800 5.528 1.00 0.00 H new ATOM 672 N TYR A 38 1.128 -3.153 -0.725 1.00 0.00 N ATOM 673 CA TYR A 38 1.574 -1.830 -1.149 1.00 0.00 C ATOM 674 C TYR A 38 1.436 -0.840 0.001 1.00 0.00 C ATOM 675 O TYR A 38 0.558 -0.988 0.849 1.00 0.00 O ATOM 676 CB TYR A 38 0.755 -1.338 -2.345 1.00 0.00 C ATOM 677 CG TYR A 38 0.803 -2.256 -3.546 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.282 -3.543 -3.483 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.362 -1.833 -4.746 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.319 -4.382 -4.581 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.403 -2.666 -5.847 1.00 0.00 C ATOM 682 CZ TYR A 38 0.880 -3.938 -5.760 1.00 0.00 C ATOM 683 OH TYR A 38 0.919 -4.771 -6.854 1.00 0.00 O ATOM 0 H TYR A 38 0.122 -3.227 -0.574 1.00 0.00 H new ATOM 0 HA TYR A 38 2.620 -1.902 -1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.283 -1.216 -2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.117 -0.353 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.159 -3.893 -2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.771 -0.836 -4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.089 -5.380 -4.516 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.843 -2.322 -6.772 1.00 0.00 H new ATOM 0 HH TYR A 38 1.345 -4.306 -7.604 1.00 0.00 H new ATOM 693 N ALA A 39 2.303 0.165 0.035 1.00 0.00 N ATOM 694 CA ALA A 39 2.249 1.161 1.097 1.00 0.00 C ATOM 695 C ALA A 39 3.168 2.343 0.822 1.00 0.00 C ATOM 696 O ALA A 39 4.372 2.181 0.623 1.00 0.00 O ATOM 697 CB ALA A 39 2.600 0.517 2.428 1.00 0.00 C ATOM 0 H ALA A 39 3.043 0.311 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 39 1.231 1.548 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.558 1.267 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.888 -0.279 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.606 0.101 2.377 1.00 0.00 H new ATOM 703 N HIS A 40 2.586 3.538 0.838 1.00 0.00 N ATOM 704 CA HIS A 40 3.339 4.761 0.619 1.00 0.00 C ATOM 705 C HIS A 40 3.704 5.384 1.960 1.00 0.00 C ATOM 706 O HIS A 40 2.875 6.041 2.596 1.00 0.00 O ATOM 707 CB HIS A 40 2.528 5.754 -0.219 1.00 0.00 C ATOM 708 CG HIS A 40 3.218 7.068 -0.421 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.557 8.221 -0.789 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.523 7.410 -0.297 1.00 0.00 C ATOM 711 CE1 HIS A 40 3.424 9.213 -0.884 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.624 8.747 -0.590 1.00 0.00 N ATOM 0 H HIS A 40 1.590 3.682 1.002 1.00 0.00 H new ATOM 0 HA HIS A 40 4.251 4.518 0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.318 5.310 -1.192 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.568 5.928 0.266 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.554 8.296 -0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.333 6.753 -0.019 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.191 10.232 -1.156 1.00 0.00 H new ATOM 721 N PHE A 41 4.942 5.155 2.391 1.00 0.00 N ATOM 722 CA PHE A 41 5.411 5.678 3.666 1.00 0.00 C ATOM 723 C PHE A 41 5.938 7.103 3.526 1.00 0.00 C ATOM 724 O PHE A 41 6.902 7.350 2.802 1.00 0.00 O ATOM 725 CB PHE A 41 6.515 4.790 4.246 1.00 0.00 C ATOM 726 CG PHE A 41 6.038 3.461 4.757 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.538 2.505 3.890 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.101 3.168 6.110 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.107 1.280 4.362 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.670 1.946 6.588 1.00 0.00 C ATOM 731 CZ PHE A 41 5.174 1.001 5.714 1.00 0.00 C ATOM 0 H PHE A 41 5.635 4.612 1.876 1.00 0.00 H new ATOM 0 HA PHE A 41 4.556 5.684 4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.269 4.621 3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.004 5.324 5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.484 2.719 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.491 3.903 6.798 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.719 0.542 3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.721 1.730 7.645 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.838 0.044 6.086 1.00 0.00 H new ATOM 741 N ASP A 42 5.321 8.030 4.250 1.00 0.00 N ATOM 742 CA ASP A 42 5.750 9.421 4.234 1.00 0.00 C ATOM 743 C ASP A 42 6.822 9.619 5.297 1.00 0.00 C ATOM 744 O ASP A 42 6.546 9.522 6.495 1.00 0.00 O ATOM 745 CB ASP A 42 4.567 10.355 4.495 1.00 0.00 C ATOM 746 CG ASP A 42 3.911 10.098 5.837 1.00 0.00 C ATOM 747 OD1 ASP A 42 3.424 8.969 6.054 1.00 0.00 O ATOM 748 OD2 ASP A 42 3.885 11.028 6.672 1.00 0.00 O ATOM 0 H ASP A 42 4.522 7.842 4.855 1.00 0.00 H new ATOM 0 HA ASP A 42 6.157 9.661 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.908 11.389 4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.828 10.231 3.703 1.00 0.00 H new ATOM 753 N GLY A 43 8.053 9.854 4.860 1.00 0.00 N ATOM 754 CA GLY A 43 9.138 10.014 5.806 1.00 0.00 C ATOM 755 C GLY A 43 9.311 8.762 6.646 1.00 0.00 C ATOM 756 O GLY A 43 9.262 7.652 6.116 1.00 0.00 O ATOM 0 H GLY A 43 8.317 9.936 3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.063 10.229 5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.938 10.867 6.454 1.00 0.00 H new ATOM 760 N PRO A 44 9.507 8.899 7.965 1.00 0.00 N ATOM 761 CA PRO A 44 9.674 7.750 8.857 1.00 0.00 C ATOM 762 C PRO A 44 8.365 6.987 9.074 1.00 0.00 C ATOM 763 O PRO A 44 8.371 5.857 9.558 1.00 0.00 O ATOM 764 CB PRO A 44 10.147 8.376 10.180 1.00 0.00 C ATOM 765 CG PRO A 44 10.444 9.808 9.870 1.00 0.00 C ATOM 766 CD PRO A 44 9.581 10.166 8.697 1.00 0.00 C ATOM 0 HA PRO A 44 10.370 7.020 8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.378 8.294 10.948 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.033 7.866 10.559 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.223 10.446 10.726 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.499 9.945 9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.596 10.514 9.008 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.023 10.959 8.094 1.00 0.00 H new ATOM 774 N TRP A 45 7.244 7.622 8.738 1.00 0.00 N ATOM 775 CA TRP A 45 5.929 7.019 8.925 1.00 0.00 C ATOM 776 C TRP A 45 5.217 6.786 7.593 1.00 0.00 C ATOM 777 O TRP A 45 5.800 6.975 6.526 1.00 0.00 O ATOM 778 CB TRP A 45 5.094 7.923 9.826 1.00 0.00 C ATOM 779 CG TRP A 45 5.945 8.709 10.776 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.671 9.829 10.494 1.00 0.00 C ATOM 781 CD2 TRP A 45 6.184 8.411 12.149 1.00 0.00 C ATOM 782 NE1 TRP A 45 7.339 10.249 11.619 1.00 0.00 N ATOM 783 CE2 TRP A 45 7.052 9.396 12.650 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.738 7.407 13.000 1.00 0.00 C ATOM 785 CZ2 TRP A 45 7.484 9.402 13.975 1.00 0.00 C ATOM 786 CZ3 TRP A 45 6.164 7.408 14.316 1.00 0.00 C ATOM 787 CH2 TRP A 45 7.029 8.402 14.792 1.00 0.00 C ATOM 0 H TRP A 45 7.222 8.558 8.333 1.00 0.00 H new ATOM 0 HA TRP A 45 6.057 6.043 9.393 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.510 8.608 9.211 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.385 7.317 10.390 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.714 10.314 9.530 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.950 11.064 11.676 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.070 6.639 12.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.152 10.166 14.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.825 6.632 14.986 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.343 8.379 15.825 1.00 0.00 H new ATOM 798 N ILE A 46 3.956 6.363 7.664 1.00 0.00 N ATOM 799 CA ILE A 46 3.178 6.093 6.460 1.00 0.00 C ATOM 800 C ILE A 46 1.805 6.756 6.500 1.00 0.00 C ATOM 801 O ILE A 46 1.244 6.997 7.568 1.00 0.00 O ATOM 802 CB ILE A 46 3.010 4.572 6.233 1.00 0.00 C ATOM 803 CG1 ILE A 46 1.921 4.283 5.196 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.697 3.871 7.543 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.878 2.836 4.758 1.00 0.00 C ATOM 0 H ILE A 46 3.455 6.201 8.538 1.00 0.00 H new ATOM 0 HA ILE A 46 3.738 6.521 5.629 1.00 0.00 H new ATOM 0 HB ILE A 46 3.952 4.184 5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.952 4.558 5.612 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.084 4.915 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.582 2.802 7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.512 4.036 8.248 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.772 4.271 7.958 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.084 2.702 4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.835 2.562 4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.684 2.200 5.622 1.00 0.00 H new ATOM 817 N ALA A 47 1.277 7.045 5.313 1.00 0.00 N ATOM 818 CA ALA A 47 -0.026 7.680 5.183 1.00 0.00 C ATOM 819 C ALA A 47 -0.921 6.938 4.190 1.00 0.00 C ATOM 820 O ALA A 47 -2.144 7.060 4.247 1.00 0.00 O ATOM 821 CB ALA A 47 0.138 9.132 4.761 1.00 0.00 C ATOM 0 H ALA A 47 1.737 6.847 4.424 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.512 7.642 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.844 9.597 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.722 9.665 5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.654 9.176 3.802 1.00 0.00 H new ATOM 827 N ARG A 48 -0.320 6.173 3.274 1.00 0.00 N ATOM 828 CA ARG A 48 -1.099 5.435 2.283 1.00 0.00 C ATOM 829 C ARG A 48 -0.710 3.960 2.264 1.00 0.00 C ATOM 830 O ARG A 48 0.466 3.618 2.373 1.00 0.00 O ATOM 831 CB ARG A 48 -0.899 6.045 0.893 1.00 0.00 C ATOM 832 CG ARG A 48 -2.201 6.359 0.175 1.00 0.00 C ATOM 833 CD ARG A 48 -1.957 7.144 -1.105 1.00 0.00 C ATOM 834 NE ARG A 48 -3.190 7.723 -1.632 1.00 0.00 N ATOM 835 CZ ARG A 48 -3.266 8.384 -2.784 1.00 0.00 C ATOM 836 NH1 ARG A 48 -2.184 8.549 -3.537 1.00 0.00 N ATOM 837 NH2 ARG A 48 -4.425 8.884 -3.185 1.00 0.00 N ATOM 0 H ARG A 48 0.690 6.051 3.200 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.151 5.507 2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.316 6.961 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.314 5.356 0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.721 5.430 -0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.853 6.931 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.236 7.939 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.515 6.488 -1.855 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.044 7.614 -1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.288 8.168 -3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.249 9.057 -4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.259 8.762 -2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.484 9.391 -4.068 1.00 0.00 H new ATOM 851 N GLN A 49 -1.705 3.088 2.120 1.00 0.00 N ATOM 852 CA GLN A 49 -1.458 1.652 2.082 1.00 0.00 C ATOM 853 C GLN A 49 -2.546 0.927 1.294 1.00 0.00 C ATOM 854 O GLN A 49 -3.734 1.207 1.449 1.00 0.00 O ATOM 855 CB GLN A 49 -1.367 1.087 3.502 1.00 0.00 C ATOM 856 CG GLN A 49 -1.301 -0.432 3.556 1.00 0.00 C ATOM 857 CD GLN A 49 -1.130 -0.962 4.966 1.00 0.00 C ATOM 858 OE1 GLN A 49 -2.050 -1.542 5.540 1.00 0.00 O ATOM 859 NE2 GLN A 49 0.056 -0.766 5.531 1.00 0.00 N ATOM 0 H GLN A 49 -2.686 3.351 2.028 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.506 1.489 1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.483 1.497 3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.232 1.424 4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.212 -0.846 3.125 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.471 -0.777 2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.791 -0.280 5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.232 -1.102 6.478 1.00 0.00 H new ATOM 868 N MET A 50 -2.128 -0.011 0.450 1.00 0.00 N ATOM 869 CA MET A 50 -3.061 -0.786 -0.362 1.00 0.00 C ATOM 870 C MET A 50 -2.674 -2.260 -0.365 1.00 0.00 C ATOM 871 O MET A 50 -1.512 -2.606 -0.569 1.00 0.00 O ATOM 872 CB MET A 50 -3.110 -0.263 -1.807 1.00 0.00 C ATOM 873 CG MET A 50 -2.275 0.986 -2.061 1.00 0.00 C ATOM 874 SD MET A 50 -1.711 1.113 -3.771 1.00 0.00 S ATOM 875 CE MET A 50 -3.150 0.528 -4.666 1.00 0.00 C ATOM 0 H MET A 50 -1.147 -0.254 0.310 1.00 0.00 H new ATOM 0 HA MET A 50 -4.051 -0.676 0.081 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.770 -1.053 -2.477 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.147 -0.049 -2.067 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.864 1.868 -1.811 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.410 0.981 -1.397 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.316 1.158 -5.540 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.986 -0.501 -4.986 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.025 0.571 -4.017 1.00 0.00 H new ATOM 885 N GLU A 51 -3.657 -3.126 -0.140 1.00 0.00 N ATOM 886 CA GLU A 51 -3.412 -4.566 -0.121 1.00 0.00 C ATOM 887 C GLU A 51 -4.229 -5.270 -1.203 1.00 0.00 C ATOM 888 O GLU A 51 -5.448 -5.118 -1.271 1.00 0.00 O ATOM 889 CB GLU A 51 -3.739 -5.164 1.254 1.00 0.00 C ATOM 890 CG GLU A 51 -3.794 -4.143 2.380 1.00 0.00 C ATOM 891 CD GLU A 51 -3.783 -4.788 3.754 1.00 0.00 C ATOM 892 OE1 GLU A 51 -2.864 -5.588 4.026 1.00 0.00 O ATOM 893 OE2 GLU A 51 -4.694 -4.492 4.556 1.00 0.00 O ATOM 0 H GLU A 51 -4.626 -2.859 0.031 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.352 -4.723 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.699 -5.676 1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.990 -5.917 1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.944 -3.466 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.695 -3.539 2.274 1.00 0.00 H new ATOM 900 N LEU A 52 -3.547 -6.040 -2.045 1.00 0.00 N ATOM 901 CA LEU A 52 -4.209 -6.768 -3.124 1.00 0.00 C ATOM 902 C LEU A 52 -3.879 -8.257 -3.061 1.00 0.00 C ATOM 903 O LEU A 52 -2.734 -8.657 -3.269 1.00 0.00 O ATOM 904 CB LEU A 52 -3.788 -6.206 -4.484 1.00 0.00 C ATOM 905 CG LEU A 52 -3.742 -4.680 -4.571 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.555 -4.226 -5.408 1.00 0.00 C ATOM 907 CD2 LEU A 52 -5.041 -4.142 -5.152 1.00 0.00 C ATOM 0 H LEU A 52 -2.537 -6.176 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.285 -6.643 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.802 -6.598 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.478 -6.577 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.622 -4.282 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.540 -3.137 -5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.631 -4.581 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.643 -4.634 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.992 -3.055 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.189 -4.550 -6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.874 -4.436 -4.514 1.00 0.00 H new ATOM 919 N HIS A 53 -4.890 -9.072 -2.777 1.00 0.00 N ATOM 920 CA HIS A 53 -4.703 -10.516 -2.692 1.00 0.00 C ATOM 921 C HIS A 53 -5.623 -11.239 -3.676 1.00 0.00 C ATOM 922 O HIS A 53 -6.809 -10.925 -3.771 1.00 0.00 O ATOM 923 CB HIS A 53 -4.975 -11.003 -1.266 1.00 0.00 C ATOM 924 CG HIS A 53 -4.364 -10.135 -0.211 1.00 0.00 C ATOM 925 ND1 HIS A 53 -3.186 -10.239 0.449 1.00 0.00 N flip ATOM 926 CD2 HIS A 53 -4.978 -9.001 0.279 1.00 0.00 C flip ATOM 927 CE1 HIS A 53 -3.111 -9.177 1.315 1.00 0.00 C flip ATOM 928 NE2 HIS A 53 -4.204 -8.445 1.194 1.00 0.00 N flip ATOM 0 H HIS A 53 -5.845 -8.758 -2.602 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.669 -10.743 -2.953 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.052 -11.051 -1.106 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.591 -12.017 -1.158 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -2.485 -10.970 0.326 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.941 -8.626 -0.036 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.291 -8.973 1.987 1.00 0.00 H new ATOM 937 N PRO A 54 -5.089 -12.219 -4.430 1.00 0.00 N ATOM 938 CA PRO A 54 -5.877 -12.976 -5.408 1.00 0.00 C ATOM 939 C PRO A 54 -7.169 -13.531 -4.814 1.00 0.00 C ATOM 940 O PRO A 54 -8.133 -13.789 -5.535 1.00 0.00 O ATOM 941 CB PRO A 54 -4.940 -14.116 -5.813 1.00 0.00 C ATOM 942 CG PRO A 54 -3.572 -13.575 -5.583 1.00 0.00 C ATOM 943 CD PRO A 54 -3.682 -12.666 -4.389 1.00 0.00 C ATOM 0 HA PRO A 54 -6.197 -12.352 -6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.119 -15.009 -5.214 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.085 -14.397 -6.856 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.860 -14.379 -5.397 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.216 -13.030 -6.457 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.454 -13.191 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.991 -11.826 -4.458 1.00 0.00 H new ATOM 951 N ASP A 55 -7.182 -13.714 -3.497 1.00 0.00 N ATOM 952 CA ASP A 55 -8.356 -14.239 -2.810 1.00 0.00 C ATOM 953 C ASP A 55 -9.075 -13.143 -2.027 1.00 0.00 C ATOM 954 O ASP A 55 -10.264 -13.261 -1.724 1.00 0.00 O ATOM 955 CB ASP A 55 -7.955 -15.372 -1.865 1.00 0.00 C ATOM 956 CG ASP A 55 -6.765 -15.008 -0.997 1.00 0.00 C ATOM 957 OD1 ASP A 55 -5.651 -14.870 -1.544 1.00 0.00 O ATOM 958 OD2 ASP A 55 -6.948 -14.862 0.230 1.00 0.00 O ATOM 0 H ASP A 55 -6.393 -13.506 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.040 -14.625 -3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.802 -15.627 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.717 -16.261 -2.449 1.00 0.00 H new ATOM 963 N LYS A 56 -8.352 -12.075 -1.700 1.00 0.00 N ATOM 964 CA LYS A 56 -8.926 -10.962 -0.950 1.00 0.00 C ATOM 965 C LYS A 56 -8.948 -9.686 -1.794 1.00 0.00 C ATOM 966 O LYS A 56 -7.917 -9.265 -2.320 1.00 0.00 O ATOM 967 CB LYS A 56 -8.135 -10.719 0.338 1.00 0.00 C ATOM 968 CG LYS A 56 -7.651 -11.994 1.011 1.00 0.00 C ATOM 969 CD LYS A 56 -8.795 -12.746 1.670 1.00 0.00 C ATOM 970 CE LYS A 56 -8.398 -13.290 3.033 1.00 0.00 C ATOM 971 NZ LYS A 56 -8.827 -14.703 3.215 1.00 0.00 N ATOM 0 H LYS A 56 -7.368 -11.957 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.952 -11.226 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.274 -10.090 0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.760 -10.164 1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.170 -12.636 0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.897 -11.748 1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.652 -12.082 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.108 -13.568 1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.316 -13.221 3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.843 -12.673 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.537 -15.035 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.862 -14.765 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.383 -15.297 2.486 1.00 0.00 H new ATOM 985 N PRO A 57 -10.127 -9.050 -1.932 1.00 0.00 N ATOM 986 CA PRO A 57 -10.269 -7.817 -2.715 1.00 0.00 C ATOM 987 C PRO A 57 -9.223 -6.768 -2.352 1.00 0.00 C ATOM 988 O PRO A 57 -8.527 -6.895 -1.343 1.00 0.00 O ATOM 989 CB PRO A 57 -11.670 -7.325 -2.348 1.00 0.00 C ATOM 990 CG PRO A 57 -12.417 -8.558 -1.977 1.00 0.00 C ATOM 991 CD PRO A 57 -11.410 -9.475 -1.338 1.00 0.00 C ATOM 0 HA PRO A 57 -10.128 -7.995 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.637 -6.617 -1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.142 -6.813 -3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.230 -8.329 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.865 -9.022 -2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.404 -9.370 -0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.626 -10.521 -1.556 1.00 0.00 H new ATOM 999 N PRO A 58 -9.097 -5.713 -3.173 1.00 0.00 N ATOM 1000 CA PRO A 58 -8.126 -4.637 -2.939 1.00 0.00 C ATOM 1001 C PRO A 58 -8.366 -3.914 -1.617 1.00 0.00 C ATOM 1002 O PRO A 58 -9.011 -2.867 -1.578 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.348 -3.679 -4.116 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.054 -4.487 -5.151 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.882 -5.486 -4.397 1.00 0.00 C ATOM 0 HA PRO A 58 -7.109 -5.023 -2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.944 -2.817 -3.815 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.401 -3.295 -4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.681 -3.855 -5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.343 -4.986 -5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.876 -5.099 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.019 -6.406 -4.965 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.837 -4.476 -0.534 1.00 0.00 N ATOM 1014 CA ILE A 59 -7.989 -3.878 0.786 1.00 0.00 C ATOM 1015 C ILE A 59 -7.375 -2.483 0.819 1.00 0.00 C ATOM 1016 O ILE A 59 -6.152 -2.330 0.819 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.334 -4.751 1.876 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -7.921 -6.162 1.848 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.513 -4.123 3.252 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -6.973 -7.219 2.370 1.00 0.00 C ATOM 0 H ILE A 59 -7.300 -5.343 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.057 -3.808 0.990 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.266 -4.815 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.835 -6.179 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.202 -6.410 0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.043 -4.756 4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.048 -3.137 3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.576 -4.026 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.455 -8.196 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.069 -7.229 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.712 -6.995 3.404 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.231 -1.469 0.843 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.777 -0.084 0.871 1.00 0.00 C ATOM 1034 C LEU A 60 -7.458 0.357 2.297 1.00 0.00 C ATOM 1035 O LEU A 60 -8.335 0.389 3.159 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.845 0.832 0.260 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.537 1.350 -1.149 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.944 0.249 -2.016 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -9.796 1.911 -1.793 1.00 0.00 C ATOM 0 H LEU A 60 -9.245 -1.580 0.844 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.864 -0.011 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.791 0.291 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.987 1.687 0.920 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.800 2.149 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.734 0.642 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.019 -0.110 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.653 -0.575 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.562 2.275 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.551 1.127 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.179 2.733 -1.188 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.194 0.697 2.536 1.00 0.00 N ATOM 1052 CA LEU A 61 -5.757 1.136 3.857 1.00 0.00 C ATOM 1053 C LEU A 61 -5.253 2.576 3.810 1.00 0.00 C ATOM 1054 O LEU A 61 -4.685 3.013 2.807 1.00 0.00 O ATOM 1055 CB LEU A 61 -4.661 0.210 4.389 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.108 -0.751 5.490 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -5.609 0.025 6.699 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -6.184 -1.694 4.973 1.00 0.00 C ATOM 0 H LEU A 61 -5.456 0.677 1.833 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.612 1.093 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.263 -0.373 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.843 0.821 4.770 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.250 -1.349 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.924 -0.673 7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.808 0.657 7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.454 0.648 6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.489 -2.370 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.045 -1.115 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.790 -2.273 4.138 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.465 3.311 4.897 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.032 4.701 4.970 1.00 0.00 C ATOM 1072 C VAL A 62 -4.815 5.139 6.413 1.00 0.00 C ATOM 1073 O VAL A 62 -5.382 4.562 7.341 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.059 5.640 4.305 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.392 5.584 5.039 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.529 7.065 4.255 1.00 0.00 C ATOM 0 H VAL A 62 -5.932 2.968 5.736 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.086 4.767 4.433 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.220 5.302 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.103 6.253 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.778 4.565 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.250 5.893 6.075 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.268 7.712 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.334 7.417 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.604 7.089 3.679 1.00 0.00 H new ATOM 1086 N ALA A 63 -3.992 6.167 6.597 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.703 6.685 7.928 1.00 0.00 C ATOM 1088 C ALA A 63 -4.903 7.444 8.485 1.00 0.00 C ATOM 1089 O ALA A 63 -5.567 8.189 7.765 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.475 7.583 7.891 1.00 0.00 C ATOM 0 H ALA A 63 -3.514 6.657 5.841 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.498 5.842 8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.271 7.962 8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.617 7.011 7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.656 8.419 7.216 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.180 7.244 9.768 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.304 7.912 10.396 1.00 0.00 C ATOM 1098 C GLY A 64 -7.574 7.089 10.323 1.00 0.00 C ATOM 1099 O GLY A 64 -8.119 6.683 11.349 1.00 0.00 O ATOM 0 H GLY A 64 -4.646 6.631 10.385 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.066 8.117 11.440 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.469 8.875 9.912 1.00 0.00 H new ATOM 1103 N LYS A 65 -8.042 6.834 9.105 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.252 6.046 8.901 1.00 0.00 C ATOM 1105 C LYS A 65 -9.024 4.599 9.321 1.00 0.00 C ATOM 1106 O LYS A 65 -9.925 3.940 9.838 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.679 6.097 7.433 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.179 6.262 7.242 1.00 0.00 C ATOM 1109 CD LYS A 65 -11.951 5.136 7.910 1.00 0.00 C ATOM 1110 CE LYS A 65 -13.382 5.062 7.401 1.00 0.00 C ATOM 1111 NZ LYS A 65 -13.448 4.586 5.991 1.00 0.00 N ATOM 0 H LYS A 65 -7.602 7.161 8.245 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.044 6.471 9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.165 6.924 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.356 5.182 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.497 7.219 7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.412 6.283 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.448 4.187 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.955 5.287 8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.959 4.391 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.844 6.047 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.737 5.371 5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.512 4.240 5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.141 3.814 5.917 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.810 4.113 9.089 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.454 2.744 9.439 1.00 0.00 C ATOM 1127 C ASP A 66 -6.098 2.699 10.137 1.00 0.00 C ATOM 1128 O ASP A 66 -5.171 2.031 9.679 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.430 1.872 8.184 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.780 1.812 7.494 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.807 1.787 8.203 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -8.808 1.791 6.247 1.00 0.00 O ATOM 0 H ASP A 66 -7.055 4.648 8.659 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.206 2.357 10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.687 2.262 7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.117 0.863 8.452 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.992 3.418 11.251 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.752 3.468 12.016 1.00 0.00 C ATOM 1139 C ASP A 67 -4.430 2.112 12.643 1.00 0.00 C ATOM 1140 O ASP A 67 -3.280 1.836 12.980 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.846 4.535 13.108 1.00 0.00 C ATOM 1142 CG ASP A 67 -4.322 5.881 12.647 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -3.310 5.905 11.915 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -4.922 6.911 13.021 1.00 0.00 O ATOM 0 H ASP A 67 -6.751 3.974 11.644 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.947 3.725 11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.885 4.640 13.421 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.282 4.208 13.981 1.00 0.00 H new ATOM 1149 N MET A 68 -5.449 1.273 12.799 1.00 0.00 N ATOM 1150 CA MET A 68 -5.262 -0.047 13.387 1.00 0.00 C ATOM 1151 C MET A 68 -4.833 -1.056 12.330 1.00 0.00 C ATOM 1152 O MET A 68 -3.995 -1.920 12.586 1.00 0.00 O ATOM 1153 CB MET A 68 -6.554 -0.514 14.063 1.00 0.00 C ATOM 1154 CG MET A 68 -6.620 -0.177 15.545 1.00 0.00 C ATOM 1155 SD MET A 68 -6.265 -1.599 16.598 1.00 0.00 S ATOM 1156 CE MET A 68 -4.943 -0.945 17.614 1.00 0.00 C ATOM 0 H MET A 68 -6.409 1.483 12.527 1.00 0.00 H new ATOM 0 HA MET A 68 -4.473 0.023 14.136 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.405 -0.058 13.557 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.650 -1.593 13.939 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.909 0.619 15.765 1.00 0.00 H new ATOM 0 HG3 MET A 68 -7.612 0.207 15.782 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.614 -1.709 18.319 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.107 -0.653 16.979 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.303 -0.075 18.163 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.413 -0.939 11.140 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.090 -1.843 10.043 1.00 0.00 C ATOM 1168 C GLU A 69 -3.788 -1.431 9.364 1.00 0.00 C ATOM 1169 O GLU A 69 -3.025 -2.276 8.898 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.229 -1.870 9.023 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.279 -2.929 9.308 1.00 0.00 C ATOM 1172 CD GLU A 69 -8.678 -2.352 9.416 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -8.976 -1.705 10.442 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -9.474 -2.546 8.473 1.00 0.00 O ATOM 0 H GLU A 69 -6.108 -0.228 10.911 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.961 -2.844 10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.709 -0.892 9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.812 -2.042 8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.259 -3.677 8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.029 -3.442 10.237 1.00 0.00 H new ATOM 1181 N MET A 70 -3.538 -0.123 9.313 1.00 0.00 N ATOM 1182 CA MET A 70 -2.326 0.402 8.690 1.00 0.00 C ATOM 1183 C MET A 70 -1.089 -0.338 9.190 1.00 0.00 C ATOM 1184 O MET A 70 -1.163 -1.122 10.136 1.00 0.00 O ATOM 1185 CB MET A 70 -2.188 1.898 8.978 1.00 0.00 C ATOM 1186 CG MET A 70 -2.880 2.783 7.952 1.00 0.00 C ATOM 1187 SD MET A 70 -1.822 4.116 7.354 1.00 0.00 S ATOM 1188 CE MET A 70 -1.806 3.771 5.597 1.00 0.00 C ATOM 0 H MET A 70 -4.158 0.591 9.695 1.00 0.00 H new ATOM 0 HA MET A 70 -2.407 0.250 7.614 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.601 2.109 9.965 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.130 2.156 9.013 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.199 2.172 7.108 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.780 3.210 8.395 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.847 4.708 5.042 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.892 3.236 5.340 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.670 3.158 5.339 1.00 0.00 H new ATOM 1198 N CYS A 71 0.046 -0.089 8.547 1.00 0.00 N ATOM 1199 CA CYS A 71 1.294 -0.737 8.928 1.00 0.00 C ATOM 1200 C CYS A 71 1.724 -0.323 10.333 1.00 0.00 C ATOM 1201 O CYS A 71 2.195 -1.147 11.115 1.00 0.00 O ATOM 1202 CB CYS A 71 2.400 -0.397 7.933 1.00 0.00 C ATOM 1203 SG CYS A 71 3.830 -1.495 8.035 1.00 0.00 S ATOM 0 H CYS A 71 0.127 0.556 7.761 1.00 0.00 H new ATOM 0 HA CYS A 71 1.122 -1.813 8.920 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.993 -0.438 6.923 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.727 0.629 8.104 1.00 0.00 H new ATOM 0 HG CYS A 71 3.843 -2.288 7.005 1.00 0.00 H new ATOM 1209 N GLU A 72 1.558 0.961 10.642 1.00 0.00 N ATOM 1210 CA GLU A 72 1.929 1.497 11.952 1.00 0.00 C ATOM 1211 C GLU A 72 3.441 1.687 12.056 1.00 0.00 C ATOM 1212 O GLU A 72 3.929 2.814 12.155 1.00 0.00 O ATOM 1213 CB GLU A 72 1.438 0.579 13.075 1.00 0.00 C ATOM 1214 CG GLU A 72 0.970 1.326 14.314 1.00 0.00 C ATOM 1215 CD GLU A 72 1.449 0.683 15.601 1.00 0.00 C ATOM 1216 OE1 GLU A 72 2.629 0.881 15.960 1.00 0.00 O ATOM 1217 OE2 GLU A 72 0.645 -0.018 16.250 1.00 0.00 O ATOM 0 H GLU A 72 1.168 1.652 10.002 1.00 0.00 H new ATOM 0 HA GLU A 72 1.449 2.469 12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.618 -0.033 12.699 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.242 -0.102 13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.329 2.354 14.271 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.119 1.369 14.318 1.00 0.00 H new ATOM 1224 N LYS A 73 4.174 0.580 12.039 1.00 0.00 N ATOM 1225 CA LYS A 73 5.636 0.626 12.136 1.00 0.00 C ATOM 1226 C LYS A 73 6.230 1.593 11.114 1.00 0.00 C ATOM 1227 O LYS A 73 5.524 2.100 10.242 1.00 0.00 O ATOM 1228 CB LYS A 73 6.256 -0.767 11.944 1.00 0.00 C ATOM 1229 CG LYS A 73 5.391 -1.741 11.162 1.00 0.00 C ATOM 1230 CD LYS A 73 4.614 -2.650 12.097 1.00 0.00 C ATOM 1231 CE LYS A 73 4.255 -3.966 11.428 1.00 0.00 C ATOM 1232 NZ LYS A 73 2.940 -3.899 10.735 1.00 0.00 N ATOM 0 H LYS A 73 3.786 -0.360 11.959 1.00 0.00 H new ATOM 0 HA LYS A 73 5.875 0.981 13.139 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.212 -0.658 11.431 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.467 -1.195 12.924 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.698 -1.189 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.018 -2.342 10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.206 -2.845 12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.704 -2.146 12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.030 -4.231 10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.230 -4.758 12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.275 -4.558 11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.564 -2.931 10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.060 -4.161 9.736 1.00 0.00 H new ATOM 1246 N ASN A 74 7.532 1.840 11.229 1.00 0.00 N ATOM 1247 CA ASN A 74 8.222 2.744 10.314 1.00 0.00 C ATOM 1248 C ASN A 74 8.905 1.960 9.194 1.00 0.00 C ATOM 1249 O ASN A 74 8.674 0.763 9.033 1.00 0.00 O ATOM 1250 CB ASN A 74 9.249 3.588 11.076 1.00 0.00 C ATOM 1251 CG ASN A 74 8.628 4.347 12.238 1.00 0.00 C ATOM 1252 OD1 ASN A 74 8.201 3.745 13.223 1.00 0.00 O ATOM 1253 ND2 ASN A 74 8.576 5.671 12.129 1.00 0.00 N ATOM 0 H ASN A 74 8.129 1.428 11.945 1.00 0.00 H new ATOM 0 HA ASN A 74 7.484 3.410 9.866 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.041 2.940 11.451 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.714 4.296 10.390 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.170 6.229 12.880 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.942 6.129 11.294 1.00 0.00 H new ATOM 1260 N LEU A 75 9.741 2.645 8.418 1.00 0.00 N ATOM 1261 CA LEU A 75 10.450 2.015 7.305 1.00 0.00 C ATOM 1262 C LEU A 75 11.456 0.975 7.796 1.00 0.00 C ATOM 1263 O LEU A 75 11.550 -0.121 7.244 1.00 0.00 O ATOM 1264 CB LEU A 75 11.170 3.078 6.474 1.00 0.00 C ATOM 1265 CG LEU A 75 10.253 4.003 5.672 1.00 0.00 C ATOM 1266 CD1 LEU A 75 11.073 5.008 4.877 1.00 0.00 C ATOM 1267 CD2 LEU A 75 9.355 3.194 4.751 1.00 0.00 C ATOM 0 H LEU A 75 9.945 3.637 8.539 1.00 0.00 H new ATOM 0 HA LEU A 75 9.711 1.505 6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.781 3.686 7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.851 2.579 5.784 1.00 0.00 H new ATOM 0 HG LEU A 75 9.621 4.553 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.404 5.658 4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.673 5.610 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.730 4.477 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.709 3.868 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.969 2.617 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.742 2.516 5.344 1.00 0.00 H new ATOM 1279 N GLU A 76 12.215 1.331 8.827 1.00 0.00 N ATOM 1280 CA GLU A 76 13.220 0.431 9.381 1.00 0.00 C ATOM 1281 C GLU A 76 12.575 -0.748 10.107 1.00 0.00 C ATOM 1282 O GLU A 76 13.134 -1.843 10.148 1.00 0.00 O ATOM 1283 CB GLU A 76 14.142 1.189 10.340 1.00 0.00 C ATOM 1284 CG GLU A 76 13.404 2.117 11.291 1.00 0.00 C ATOM 1285 CD GLU A 76 14.128 2.294 12.610 1.00 0.00 C ATOM 1286 OE1 GLU A 76 15.288 2.758 12.592 1.00 0.00 O ATOM 1287 OE2 GLU A 76 13.536 1.971 13.662 1.00 0.00 O ATOM 0 H GLU A 76 12.154 2.235 9.295 1.00 0.00 H new ATOM 0 HA GLU A 76 13.806 0.039 8.550 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.717 0.469 10.922 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.856 1.772 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.276 3.090 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.406 1.720 11.479 1.00 0.00 H new ATOM 1294 N GLU A 77 11.404 -0.514 10.687 1.00 0.00 N ATOM 1295 CA GLU A 77 10.692 -1.554 11.420 1.00 0.00 C ATOM 1296 C GLU A 77 9.837 -2.413 10.490 1.00 0.00 C ATOM 1297 O GLU A 77 9.525 -3.561 10.807 1.00 0.00 O ATOM 1298 CB GLU A 77 9.810 -0.930 12.503 1.00 0.00 C ATOM 1299 CG GLU A 77 9.096 -1.953 13.371 1.00 0.00 C ATOM 1300 CD GLU A 77 10.023 -2.623 14.367 1.00 0.00 C ATOM 1301 OE1 GLU A 77 10.680 -1.900 15.145 1.00 0.00 O ATOM 1302 OE2 GLU A 77 10.091 -3.870 14.367 1.00 0.00 O ATOM 0 H GLU A 77 10.927 0.387 10.664 1.00 0.00 H new ATOM 0 HA GLU A 77 11.438 -2.198 11.885 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.425 -0.293 13.138 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.068 -0.287 12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.284 -1.464 13.909 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.644 -2.713 12.733 1.00 0.00 H new ATOM 1309 N THR A 78 9.455 -1.853 9.347 1.00 0.00 N ATOM 1310 CA THR A 78 8.632 -2.578 8.384 1.00 0.00 C ATOM 1311 C THR A 78 9.370 -3.792 7.832 1.00 0.00 C ATOM 1312 O THR A 78 9.105 -4.925 8.232 1.00 0.00 O ATOM 1313 CB THR A 78 8.215 -1.654 7.239 1.00 0.00 C ATOM 1314 OG1 THR A 78 9.172 -0.629 7.045 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.875 -0.994 7.467 1.00 0.00 C ATOM 0 H THR A 78 9.700 -0.904 9.065 1.00 0.00 H new ATOM 0 HA THR A 78 7.740 -2.928 8.903 1.00 0.00 H new ATOM 0 HB THR A 78 8.144 -2.295 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.072 -0.991 7.186 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.637 -0.352 6.619 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.105 -1.759 7.570 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.915 -0.395 8.376 1.00 0.00 H new ATOM 1323 N GLY A 79 10.298 -3.550 6.911 1.00 0.00 N ATOM 1324 CA GLY A 79 11.055 -4.639 6.323 1.00 0.00 C ATOM 1325 C GLY A 79 11.295 -4.462 4.833 1.00 0.00 C ATOM 1326 O GLY A 79 12.178 -5.101 4.264 1.00 0.00 O ATOM 0 H GLY A 79 10.538 -2.622 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.015 -4.723 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.523 -5.575 6.490 1.00 0.00 H new ATOM 1330 N LEU A 80 10.510 -3.595 4.197 1.00 0.00 N ATOM 1331 CA LEU A 80 10.653 -3.348 2.767 1.00 0.00 C ATOM 1332 C LEU A 80 11.994 -2.689 2.462 1.00 0.00 C ATOM 1333 O LEU A 80 12.739 -3.143 1.594 1.00 0.00 O ATOM 1334 CB LEU A 80 9.516 -2.460 2.255 1.00 0.00 C ATOM 1335 CG LEU A 80 8.144 -2.731 2.878 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.762 -1.609 3.832 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.089 -2.893 1.792 1.00 0.00 C ATOM 0 H LEU A 80 9.772 -3.055 4.648 1.00 0.00 H new ATOM 0 HA LEU A 80 10.609 -4.311 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.780 -1.418 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.438 -2.585 1.175 1.00 0.00 H new ATOM 0 HG LEU A 80 8.199 -3.660 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.784 -1.818 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.504 -1.539 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.723 -0.666 3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.120 -3.085 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.035 -1.980 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.357 -3.730 1.147 1.00 0.00 H new ATOM 1349 N THR A 81 12.290 -1.610 3.180 1.00 0.00 N ATOM 1350 CA THR A 81 13.539 -0.878 2.988 1.00 0.00 C ATOM 1351 C THR A 81 14.745 -1.795 3.154 1.00 0.00 C ATOM 1352 O THR A 81 15.609 -1.860 2.279 1.00 0.00 O ATOM 1353 CB THR A 81 13.628 0.283 3.978 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.497 -0.180 5.310 1.00 0.00 O ATOM 1355 CG2 THR A 81 12.569 1.340 3.755 1.00 0.00 C ATOM 0 H THR A 81 11.682 -1.222 3.901 1.00 0.00 H new ATOM 0 HA THR A 81 13.546 -0.485 1.971 1.00 0.00 H new ATOM 0 HB THR A 81 14.608 0.730 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.610 0.057 5.653 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.688 2.135 4.491 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.674 1.754 2.752 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.581 0.893 3.861 1.00 0.00 H new ATOM 1363 N ARG A 82 14.797 -2.506 4.275 1.00 0.00 N ATOM 1364 CA ARG A 82 15.901 -3.421 4.541 1.00 0.00 C ATOM 1365 C ARG A 82 15.945 -4.530 3.495 1.00 0.00 C ATOM 1366 O ARG A 82 17.006 -5.080 3.204 1.00 0.00 O ATOM 1367 CB ARG A 82 15.777 -4.025 5.941 1.00 0.00 C ATOM 1368 CG ARG A 82 14.405 -4.604 6.235 1.00 0.00 C ATOM 1369 CD ARG A 82 14.391 -6.116 6.076 1.00 0.00 C ATOM 1370 NE ARG A 82 13.644 -6.771 7.147 1.00 0.00 N ATOM 1371 CZ ARG A 82 13.172 -8.013 7.071 1.00 0.00 C ATOM 1372 NH1 ARG A 82 13.365 -8.738 5.976 1.00 0.00 N ATOM 1373 NH2 ARG A 82 12.504 -8.533 8.092 1.00 0.00 N ATOM 0 H ARG A 82 14.092 -2.467 5.011 1.00 0.00 H new ATOM 0 HA ARG A 82 16.830 -2.853 4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.525 -4.809 6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.004 -3.257 6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.108 -4.341 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.670 -4.160 5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.949 -6.375 5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.415 -6.489 6.067 1.00 0.00 H new ATOM 0 HE ARG A 82 13.474 -6.245 8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.877 -8.344 5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.001 -9.689 5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.352 -7.981 8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.142 -9.485 8.033 1.00 0.00 H new ATOM 1387 N LYS A 83 14.785 -4.849 2.929 1.00 0.00 N ATOM 1388 CA LYS A 83 14.691 -5.888 1.911 1.00 0.00 C ATOM 1389 C LYS A 83 15.556 -5.543 0.704 1.00 0.00 C ATOM 1390 O LYS A 83 16.367 -4.618 0.753 1.00 0.00 O ATOM 1391 CB LYS A 83 13.235 -6.073 1.474 1.00 0.00 C ATOM 1392 CG LYS A 83 12.784 -7.522 1.464 1.00 0.00 C ATOM 1393 CD LYS A 83 11.310 -7.644 1.116 1.00 0.00 C ATOM 1394 CE LYS A 83 10.733 -8.965 1.598 1.00 0.00 C ATOM 1395 NZ LYS A 83 9.437 -9.280 0.934 1.00 0.00 N ATOM 0 H LYS A 83 13.897 -4.402 3.159 1.00 0.00 H new ATOM 0 HA LYS A 83 15.054 -6.821 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.589 -5.504 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.108 -5.655 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.377 -8.084 0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.966 -7.968 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.759 -6.819 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.182 -7.561 0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.446 -9.766 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.588 -8.925 2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.076 -10.188 1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.749 -8.529 1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.580 -9.343 -0.094 1.00 0.00 H new ATOM 1409 N ARG A 84 15.374 -6.288 -0.380 1.00 0.00 N ATOM 1410 CA ARG A 84 16.134 -6.058 -1.602 1.00 0.00 C ATOM 1411 C ARG A 84 15.397 -5.084 -2.515 1.00 0.00 C ATOM 1412 O ARG A 84 14.766 -5.488 -3.490 1.00 0.00 O ATOM 1413 CB ARG A 84 16.380 -7.382 -2.331 1.00 0.00 C ATOM 1414 CG ARG A 84 17.103 -7.225 -3.660 1.00 0.00 C ATOM 1415 CD ARG A 84 18.467 -6.579 -3.484 1.00 0.00 C ATOM 1416 NE ARG A 84 19.519 -7.335 -4.159 1.00 0.00 N ATOM 1417 CZ ARG A 84 20.693 -6.819 -4.513 1.00 0.00 C ATOM 1418 NH1 ARG A 84 20.973 -5.547 -4.256 1.00 0.00 N ATOM 1419 NH2 ARG A 84 21.593 -7.578 -5.124 1.00 0.00 N ATOM 0 H ARG A 84 14.706 -7.057 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 84 17.096 -5.621 -1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.964 -8.039 -1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.423 -7.874 -2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.221 -8.202 -4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.498 -6.619 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.441 -5.563 -3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.699 -6.504 -2.422 1.00 0.00 H new ATOM 0 HE ARG A 84 19.343 -8.317 -4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 84 20.286 -4.959 -3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 84 21.875 -5.158 -4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.385 -8.557 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 84 22.493 -7.183 -5.396 1.00 0.00 H new ATOM 1433 N GLY A 85 15.478 -3.798 -2.185 1.00 0.00 N ATOM 1434 CA GLY A 85 14.811 -2.787 -2.982 1.00 0.00 C ATOM 1435 C GLY A 85 13.330 -3.064 -3.141 1.00 0.00 C ATOM 1436 O GLY A 85 12.868 -3.395 -4.233 1.00 0.00 O ATOM 0 H GLY A 85 15.993 -3.440 -1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.948 -1.811 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.277 -2.738 -3.966 1.00 0.00 H new ATOM 1440 N ALA A 86 12.583 -2.936 -2.049 1.00 0.00 N ATOM 1441 CA ALA A 86 11.146 -3.183 -2.074 1.00 0.00 C ATOM 1442 C ALA A 86 10.359 -1.917 -2.410 1.00 0.00 C ATOM 1443 O ALA A 86 9.177 -1.812 -2.087 1.00 0.00 O ATOM 1444 CB ALA A 86 10.687 -3.749 -0.739 1.00 0.00 C ATOM 0 H ALA A 86 12.949 -2.663 -1.137 1.00 0.00 H new ATOM 0 HA ALA A 86 10.950 -3.912 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.612 -3.929 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.207 -4.687 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.913 -3.037 0.055 1.00 0.00 H new ATOM 1450 N GLU A 87 11.015 -0.960 -3.061 1.00 0.00 N ATOM 1451 CA GLU A 87 10.361 0.288 -3.437 1.00 0.00 C ATOM 1452 C GLU A 87 9.428 0.072 -4.624 1.00 0.00 C ATOM 1453 O GLU A 87 9.312 -1.039 -5.139 1.00 0.00 O ATOM 1454 CB GLU A 87 11.405 1.355 -3.776 1.00 0.00 C ATOM 1455 CG GLU A 87 11.704 2.301 -2.624 1.00 0.00 C ATOM 1456 CD GLU A 87 13.047 2.027 -1.977 1.00 0.00 C ATOM 1457 OE1 GLU A 87 13.210 0.939 -1.385 1.00 0.00 O ATOM 1458 OE2 GLU A 87 13.936 2.900 -2.061 1.00 0.00 O ATOM 0 H GLU A 87 11.995 -1.025 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 87 9.768 0.631 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.329 0.864 -4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.056 1.935 -4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.683 3.328 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.919 2.213 -1.873 1.00 0.00 H new ATOM 1465 N ILE A 88 8.764 1.141 -5.054 1.00 0.00 N ATOM 1466 CA ILE A 88 7.842 1.062 -6.180 1.00 0.00 C ATOM 1467 C ILE A 88 7.602 2.439 -6.791 1.00 0.00 C ATOM 1468 O ILE A 88 7.819 3.466 -6.148 1.00 0.00 O ATOM 1469 CB ILE A 88 6.491 0.433 -5.761 1.00 0.00 C ATOM 1470 CG1 ILE A 88 5.423 0.624 -6.841 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.019 1.012 -4.436 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.106 -0.047 -6.513 1.00 0.00 C ATOM 0 H ILE A 88 8.848 2.070 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 88 8.305 0.420 -6.929 1.00 0.00 H new ATOM 0 HB ILE A 88 6.650 -0.638 -5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.252 1.691 -6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.798 0.229 -7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.068 0.557 -4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.760 0.804 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.891 2.090 -4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.396 0.130 -7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.263 -1.119 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.709 0.365 -5.585 1.00 0.00 H new ATOM 1484 N LEU A 89 7.152 2.442 -8.037 1.00 0.00 N ATOM 1485 CA LEU A 89 6.878 3.684 -8.754 1.00 0.00 C ATOM 1486 C LEU A 89 5.605 4.344 -8.229 1.00 0.00 C ATOM 1487 O LEU A 89 4.661 3.661 -7.831 1.00 0.00 O ATOM 1488 CB LEU A 89 6.746 3.413 -10.254 1.00 0.00 C ATOM 1489 CG LEU A 89 7.929 2.680 -10.888 1.00 0.00 C ATOM 1490 CD1 LEU A 89 7.708 1.176 -10.846 1.00 0.00 C ATOM 1491 CD2 LEU A 89 8.143 3.148 -12.319 1.00 0.00 C ATOM 0 H LEU A 89 6.967 1.596 -8.576 1.00 0.00 H new ATOM 0 HA LEU A 89 7.714 4.364 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.843 2.827 -10.423 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.610 4.364 -10.769 1.00 0.00 H new ATOM 0 HG LEU A 89 8.826 2.913 -10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.559 0.670 -11.301 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.605 0.852 -9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.801 0.926 -11.396 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.989 2.615 -12.753 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.247 2.946 -12.906 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.347 4.219 -12.325 1.00 0.00 H new ATOM 1503 N PRO A 90 5.559 5.688 -8.224 1.00 0.00 N ATOM 1504 CA PRO A 90 4.392 6.435 -7.746 1.00 0.00 C ATOM 1505 C PRO A 90 3.208 6.332 -8.701 1.00 0.00 C ATOM 1506 O PRO A 90 2.052 6.376 -8.280 1.00 0.00 O ATOM 1507 CB PRO A 90 4.899 7.876 -7.675 1.00 0.00 C ATOM 1508 CG PRO A 90 5.993 7.941 -8.683 1.00 0.00 C ATOM 1509 CD PRO A 90 6.640 6.583 -8.684 1.00 0.00 C ATOM 0 HA PRO A 90 4.023 6.052 -6.795 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.105 8.587 -7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.265 8.119 -6.677 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.600 8.186 -9.670 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.715 8.716 -8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.994 6.308 -9.677 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.502 6.548 -8.017 1.00 0.00 H new ATOM 1517 N ARG A 91 3.505 6.196 -9.989 1.00 0.00 N ATOM 1518 CA ARG A 91 2.466 6.089 -11.005 1.00 0.00 C ATOM 1519 C ARG A 91 1.746 4.745 -10.910 1.00 0.00 C ATOM 1520 O ARG A 91 0.532 4.668 -11.090 1.00 0.00 O ATOM 1521 CB ARG A 91 3.068 6.289 -12.403 1.00 0.00 C ATOM 1522 CG ARG A 91 3.664 5.031 -13.012 1.00 0.00 C ATOM 1523 CD ARG A 91 2.590 4.177 -13.661 1.00 0.00 C ATOM 1524 NE ARG A 91 3.074 3.509 -14.866 1.00 0.00 N ATOM 1525 CZ ARG A 91 2.496 2.436 -15.404 1.00 0.00 C ATOM 1526 NH1 ARG A 91 1.414 1.906 -14.847 1.00 0.00 N ATOM 1527 NH2 ARG A 91 3.004 1.891 -16.500 1.00 0.00 N ATOM 0 H ARG A 91 4.457 6.157 -10.353 1.00 0.00 H new ATOM 0 HA ARG A 91 1.730 6.874 -10.829 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.293 6.669 -13.069 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.843 7.054 -12.346 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.415 5.303 -13.754 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.173 4.455 -12.239 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.241 3.430 -12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.733 4.802 -13.913 1.00 0.00 H new ATOM 0 HE ARG A 91 3.904 3.886 -15.323 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.020 2.320 -14.002 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.976 1.084 -15.264 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.837 2.293 -16.931 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.562 1.069 -16.913 1.00 0.00 H new ATOM 1541 N GLN A 92 2.505 3.690 -10.625 1.00 0.00 N ATOM 1542 CA GLN A 92 1.937 2.352 -10.503 1.00 0.00 C ATOM 1543 C GLN A 92 1.064 2.245 -9.259 1.00 0.00 C ATOM 1544 O GLN A 92 -0.067 1.760 -9.320 1.00 0.00 O ATOM 1545 CB GLN A 92 3.052 1.307 -10.452 1.00 0.00 C ATOM 1546 CG GLN A 92 3.508 0.834 -11.824 1.00 0.00 C ATOM 1547 CD GLN A 92 3.095 -0.596 -12.115 1.00 0.00 C ATOM 1548 OE1 GLN A 92 2.878 -1.391 -11.201 1.00 0.00 O ATOM 1549 NE2 GLN A 92 2.985 -0.929 -13.397 1.00 0.00 N ATOM 0 H GLN A 92 3.513 3.736 -10.475 1.00 0.00 H new ATOM 0 HA GLN A 92 1.314 2.165 -11.378 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.906 1.725 -9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.707 0.448 -9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.092 1.491 -12.588 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.593 0.916 -11.890 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.175 -0.237 -14.122 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.711 -1.877 -13.656 1.00 0.00 H new ATOM 1558 N PHE A 93 1.595 2.705 -8.130 1.00 0.00 N ATOM 1559 CA PHE A 93 0.865 2.667 -6.867 1.00 0.00 C ATOM 1560 C PHE A 93 -0.480 3.371 -7.005 1.00 0.00 C ATOM 1561 O PHE A 93 -1.526 2.803 -6.693 1.00 0.00 O ATOM 1562 CB PHE A 93 1.689 3.326 -5.759 1.00 0.00 C ATOM 1563 CG PHE A 93 1.034 3.274 -4.408 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.057 4.078 -4.121 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.511 2.421 -3.426 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.661 4.032 -2.878 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.911 2.370 -2.182 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.176 3.176 -1.908 1.00 0.00 C ATOM 0 H PHE A 93 2.529 3.109 -8.064 1.00 0.00 H new ATOM 0 HA PHE A 93 0.687 1.624 -6.604 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.661 2.836 -5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.872 4.367 -6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.440 4.748 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.361 1.789 -3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.511 4.664 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.292 1.700 -1.425 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.647 3.137 -0.937 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.445 4.608 -7.488 1.00 0.00 N ATOM 1579 CA GLU A 94 -1.663 5.382 -7.680 1.00 0.00 C ATOM 1580 C GLU A 94 -2.503 4.785 -8.805 1.00 0.00 C ATOM 1581 O GLU A 94 -3.716 4.987 -8.860 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.330 6.844 -7.982 1.00 0.00 C ATOM 1583 CG GLU A 94 -1.837 7.810 -6.924 1.00 0.00 C ATOM 1584 CD GLU A 94 -0.726 8.639 -6.309 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.313 9.636 -6.937 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.266 8.288 -5.202 1.00 0.00 O ATOM 0 H GLU A 94 0.412 5.094 -7.753 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.242 5.344 -6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.249 6.951 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.760 7.115 -8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.577 8.475 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.344 7.249 -6.139 1.00 0.00 H new ATOM 1593 N GLU A 95 -1.855 4.034 -9.696 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.553 3.397 -10.803 1.00 0.00 C ATOM 1595 C GLU A 95 -3.610 2.450 -10.264 1.00 0.00 C ATOM 1596 O GLU A 95 -4.775 2.503 -10.660 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.566 2.629 -11.688 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.582 3.067 -13.142 1.00 0.00 C ATOM 1599 CD GLU A 95 -2.972 3.029 -13.750 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -3.757 3.966 -13.493 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -3.272 2.063 -14.481 1.00 0.00 O ATOM 0 H GLU A 95 -0.851 3.855 -9.670 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.032 4.168 -11.406 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.559 2.757 -11.290 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.797 1.565 -11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.185 4.079 -13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.920 2.421 -13.719 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.192 1.592 -9.341 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.095 0.638 -8.724 1.00 0.00 C ATOM 1610 C ILE A 96 -5.056 1.352 -7.782 1.00 0.00 C ATOM 1611 O ILE A 96 -6.213 0.957 -7.640 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.316 -0.434 -7.948 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.176 -0.981 -8.809 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.247 -1.553 -7.507 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -2.614 -1.411 -10.195 1.00 0.00 C ATOM 0 H ILE A 96 -2.230 1.540 -9.005 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.662 0.152 -9.518 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.887 0.020 -7.055 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.404 -0.218 -8.902 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.724 -1.832 -8.300 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.679 -2.304 -6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.026 -1.145 -6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.704 -2.012 -8.383 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.754 -1.788 -10.748 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.364 -2.197 -10.112 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.039 -0.558 -10.723 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.571 2.422 -7.157 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.389 3.212 -6.244 1.00 0.00 C ATOM 1629 C TRP A 97 -6.626 3.723 -6.972 1.00 0.00 C ATOM 1630 O TRP A 97 -7.718 3.788 -6.406 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.579 4.387 -5.690 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.107 4.922 -4.395 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.540 6.192 -4.150 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.252 4.203 -3.166 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.949 6.307 -2.843 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.782 5.100 -2.219 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -4.986 2.889 -2.774 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -6.052 4.722 -0.903 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.253 2.514 -1.472 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.780 3.425 -0.549 1.00 0.00 C ATOM 0 H TRP A 97 -3.615 2.761 -7.267 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.701 2.582 -5.411 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.546 4.070 -5.548 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.568 5.190 -6.427 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.559 6.991 -4.877 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.317 7.153 -2.409 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.578 2.178 -3.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.460 5.424 -0.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.052 1.500 -1.160 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.976 3.100 0.462 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.439 4.069 -8.242 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.525 4.559 -9.081 1.00 0.00 C ATOM 1653 C GLU A 98 -8.286 3.386 -9.699 1.00 0.00 C ATOM 1654 O GLU A 98 -9.463 3.505 -10.041 1.00 0.00 O ATOM 1655 CB GLU A 98 -6.968 5.459 -10.188 1.00 0.00 C ATOM 1656 CG GLU A 98 -7.560 6.859 -10.196 1.00 0.00 C ATOM 1657 CD GLU A 98 -7.413 7.546 -11.541 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -6.305 8.039 -11.837 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -8.406 7.590 -12.296 1.00 0.00 O ATOM 0 H GLU A 98 -5.537 4.018 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.211 5.138 -8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.886 5.533 -10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.155 4.990 -11.154 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.616 6.804 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.072 7.461 -9.429 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.596 2.254 -9.842 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.191 1.057 -10.424 1.00 0.00 C ATOM 1668 C ARG A 99 -9.371 0.565 -9.592 1.00 0.00 C ATOM 1669 O ARG A 99 -10.469 0.369 -10.109 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.142 -0.052 -10.538 1.00 0.00 C ATOM 1671 CG ARG A 99 -7.466 -1.083 -11.606 1.00 0.00 C ATOM 1672 CD ARG A 99 -6.317 -2.056 -11.812 1.00 0.00 C ATOM 1673 NE ARG A 99 -6.752 -3.285 -12.471 1.00 0.00 N ATOM 1674 CZ ARG A 99 -6.958 -3.390 -13.783 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -6.766 -2.344 -14.578 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -7.357 -4.543 -14.302 1.00 0.00 N ATOM 0 H ARG A 99 -6.622 2.144 -9.561 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.556 1.315 -11.418 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.173 0.396 -10.758 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.049 -0.554 -9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.363 -1.633 -11.321 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.688 -0.577 -12.546 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.541 -1.579 -12.410 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.871 -2.300 -10.848 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.907 -4.111 -11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.459 -1.454 -14.185 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.925 -2.430 -15.582 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.506 -5.350 -13.697 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.515 -4.623 -15.307 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.133 0.363 -8.300 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.182 -0.114 -7.400 1.00 0.00 C ATOM 1692 C CYS A 100 -11.086 1.034 -6.952 1.00 0.00 C ATOM 1693 O CYS A 100 -12.141 1.266 -7.543 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.587 -0.837 -6.179 1.00 0.00 C ATOM 1695 SG CYS A 100 -7.967 -0.237 -5.631 1.00 0.00 S ATOM 0 H CYS A 100 -8.230 0.520 -7.853 1.00 0.00 H new ATOM 0 HA CYS A 100 -10.787 -0.831 -7.956 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -10.288 -0.748 -5.349 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -9.502 -1.898 -6.413 1.00 0.00 H new ATOM 0 HG CYS A 100 -7.153 -0.200 -6.644 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.675 1.750 -5.910 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.469 2.858 -5.412 1.00 0.00 C ATOM 1703 C GLY A 101 -10.756 3.639 -4.328 1.00 0.00 C ATOM 1704 O GLY A 101 -11.383 4.110 -3.378 1.00 0.00 O ATOM 0 H GLY A 101 -9.807 1.583 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.712 3.527 -6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.413 2.478 -5.021 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.441 3.779 -4.468 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.662 4.511 -3.485 1.00 0.00 C ATOM 1710 C GLY A 102 -9.194 5.910 -3.247 1.00 0.00 C ATOM 1711 O GLY A 102 -9.587 6.251 -2.131 1.00 0.00 O ATOM 0 H GLY A 102 -8.901 3.398 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.662 3.961 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.626 4.572 -3.819 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.199 6.725 -4.297 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.678 8.096 -4.201 1.00 0.00 C ATOM 1717 C ILE A 103 -11.100 8.159 -3.653 1.00 0.00 C ATOM 1718 O ILE A 103 -11.398 8.963 -2.771 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.641 8.796 -5.569 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.292 8.557 -6.243 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.907 10.284 -5.413 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -8.342 7.489 -7.305 1.00 0.00 C ATOM 0 H ILE A 103 -8.875 6.457 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.009 8.611 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.424 8.376 -6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.946 9.489 -6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.560 8.275 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.877 10.764 -6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.890 10.433 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.145 10.724 -4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.352 7.367 -7.745 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.659 6.547 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.051 7.780 -8.080 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.976 7.311 -4.182 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.367 7.280 -3.744 1.00 0.00 C ATOM 1736 C GLN A 104 -13.462 6.981 -2.251 1.00 0.00 C ATOM 1737 O GLN A 104 -14.151 7.682 -1.510 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.153 6.235 -4.537 1.00 0.00 C ATOM 1739 CG GLN A 104 -14.666 6.747 -5.872 1.00 0.00 C ATOM 1740 CD GLN A 104 -13.610 6.698 -6.959 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -13.489 5.707 -7.680 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -12.838 7.771 -7.083 1.00 0.00 N ATOM 0 H GLN A 104 -11.748 6.637 -4.913 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.800 8.264 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.516 5.367 -4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.998 5.896 -3.938 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.526 6.152 -6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.014 7.773 -5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.973 8.571 -6.464 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.110 7.796 -7.797 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.759 5.940 -1.814 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.759 5.555 -0.408 1.00 0.00 C ATOM 1753 C TYR A 105 -12.214 6.689 0.454 1.00 0.00 C ATOM 1754 O TYR A 105 -12.837 7.095 1.437 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.915 4.291 -0.207 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.642 3.959 1.244 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.657 3.507 2.078 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.367 4.101 1.778 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.408 3.206 3.405 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -10.111 3.801 3.103 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.135 3.354 3.911 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.884 3.056 5.231 1.00 0.00 O ATOM 0 H TYR A 105 -12.183 5.349 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.785 5.348 -0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.425 3.448 -0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.965 4.414 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.656 3.389 1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.563 4.451 1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -13.208 2.857 4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.114 3.916 3.503 1.00 0.00 H new ATOM 0 HH TYR A 105 -9.990 2.664 5.313 1.00 0.00 H new ATOM 1772 N LEU A 106 -11.050 7.198 0.070 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.415 8.289 0.795 1.00 0.00 C ATOM 1774 C LEU A 106 -11.337 9.501 0.865 1.00 0.00 C ATOM 1775 O LEU A 106 -11.489 10.119 1.917 1.00 0.00 O ATOM 1776 CB LEU A 106 -9.098 8.665 0.121 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.864 8.522 1.007 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -7.846 9.600 2.076 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.819 7.138 1.638 1.00 0.00 C ATOM 0 H LEU A 106 -10.526 6.871 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.212 7.956 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.967 8.042 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.164 9.697 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.977 8.644 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.959 9.481 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.829 10.582 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.738 9.512 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.933 7.053 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.711 6.986 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.781 6.382 0.854 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.953 9.829 -0.263 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.871 10.960 -0.340 1.00 0.00 C ATOM 1793 C GLN A 107 -14.062 10.758 0.595 1.00 0.00 C ATOM 1794 O GLN A 107 -14.640 11.721 1.101 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.368 11.144 -1.778 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.713 12.304 -2.514 1.00 0.00 C ATOM 1797 CD GLN A 107 -12.756 13.598 -1.725 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -11.888 13.861 -0.893 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -13.771 14.416 -1.985 1.00 0.00 N ATOM 0 H GLN A 107 -11.833 9.326 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.332 11.855 -0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.187 10.225 -2.335 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.447 11.300 -1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.675 12.051 -2.732 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.213 12.450 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.468 14.158 -2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.853 15.302 -1.486 1.00 0.00 H new ATOM 1808 N SER A 108 -14.425 9.499 0.813 1.00 0.00 N ATOM 1809 CA SER A 108 -15.552 9.161 1.679 1.00 0.00 C ATOM 1810 C SER A 108 -15.240 9.491 3.134 1.00 0.00 C ATOM 1811 O SER A 108 -16.016 10.171 3.807 1.00 0.00 O ATOM 1812 CB SER A 108 -15.898 7.677 1.545 1.00 0.00 C ATOM 1813 OG SER A 108 -17.048 7.349 2.307 1.00 0.00 O ATOM 0 H SER A 108 -13.955 8.693 0.402 1.00 0.00 H new ATOM 0 HA SER A 108 -16.409 9.758 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 108 -16.072 7.434 0.497 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.054 7.072 1.877 1.00 0.00 H new ATOM 0 HG SER A 108 -17.248 6.395 2.203 1.00 0.00 H new ATOM 1819 N ALA A 109 -14.093 9.022 3.610 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.674 9.284 4.982 1.00 0.00 C ATOM 1821 C ALA A 109 -13.190 10.720 5.107 1.00 0.00 C ATOM 1822 O ALA A 109 -13.351 11.362 6.147 1.00 0.00 O ATOM 1823 CB ALA A 109 -12.582 8.310 5.399 1.00 0.00 C ATOM 0 H ALA A 109 -13.437 8.459 3.068 1.00 0.00 H new ATOM 0 HA ALA A 109 -14.526 9.142 5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.280 8.519 6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.960 7.290 5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.722 8.422 4.738 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.606 11.219 4.024 1.00 0.00 N ATOM 1830 CA ILE A 110 -12.100 12.581 3.973 1.00 0.00 C ATOM 1831 C ILE A 110 -13.222 13.574 4.273 1.00 0.00 C ATOM 1832 O ILE A 110 -13.067 14.473 5.099 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.485 12.873 2.582 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -10.021 12.437 2.549 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.606 14.341 2.213 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.403 12.510 1.168 1.00 0.00 C ATOM 0 H ILE A 110 -12.471 10.692 3.161 1.00 0.00 H new ATOM 0 HA ILE A 110 -11.323 12.693 4.729 1.00 0.00 H new ATOM 0 HB ILE A 110 -12.046 12.299 1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.447 13.066 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.946 11.415 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.163 14.507 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.658 14.625 2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.083 14.947 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.363 12.187 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.953 11.860 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.447 13.536 0.803 1.00 0.00 H new ATOM 1848 N GLU A 111 -14.353 13.392 3.598 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.507 14.259 3.793 1.00 0.00 C ATOM 1850 C GLU A 111 -16.168 13.983 5.140 1.00 0.00 C ATOM 1851 O GLU A 111 -16.658 14.897 5.801 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.518 14.055 2.662 1.00 0.00 C ATOM 1853 CG GLU A 111 -16.051 14.601 1.322 1.00 0.00 C ATOM 1854 CD GLU A 111 -16.336 16.081 1.166 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -15.770 16.881 1.942 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -17.127 16.442 0.269 1.00 0.00 O ATOM 0 H GLU A 111 -14.494 12.651 2.911 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.164 15.294 3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.725 12.990 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.457 14.537 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.980 14.428 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.543 14.053 0.519 1.00 0.00 H new ATOM 1863 N SER A 112 -16.174 12.715 5.537 1.00 0.00 N ATOM 1864 CA SER A 112 -16.773 12.312 6.806 1.00 0.00 C ATOM 1865 C SER A 112 -15.879 12.690 7.988 1.00 0.00 C ATOM 1866 O SER A 112 -16.286 12.565 9.143 1.00 0.00 O ATOM 1867 CB SER A 112 -17.035 10.805 6.813 1.00 0.00 C ATOM 1868 OG SER A 112 -18.252 10.502 7.474 1.00 0.00 O ATOM 0 H SER A 112 -15.771 11.948 4.999 1.00 0.00 H new ATOM 0 HA SER A 112 -17.719 12.843 6.911 1.00 0.00 H new ATOM 0 HB2 SER A 112 -17.072 10.434 5.789 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.211 10.292 7.308 1.00 0.00 H new ATOM 0 HG SER A 112 -18.397 9.533 7.464 1.00 0.00 H new ATOM 1874 N ARG A 113 -14.663 13.148 7.696 1.00 0.00 N ATOM 1875 CA ARG A 113 -13.717 13.540 8.738 1.00 0.00 C ATOM 1876 C ARG A 113 -13.175 12.317 9.471 1.00 0.00 C ATOM 1877 O ARG A 113 -13.116 12.289 10.701 1.00 0.00 O ATOM 1878 CB ARG A 113 -14.376 14.501 9.733 1.00 0.00 C ATOM 1879 CG ARG A 113 -15.118 15.649 9.070 1.00 0.00 C ATOM 1880 CD ARG A 113 -14.199 16.460 8.171 1.00 0.00 C ATOM 1881 NE ARG A 113 -14.742 17.785 7.884 1.00 0.00 N ATOM 1882 CZ ARG A 113 -14.692 18.806 8.736 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -14.127 18.658 9.928 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -15.208 19.980 8.396 1.00 0.00 N ATOM 0 H ARG A 113 -14.310 13.257 6.745 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.883 14.051 8.257 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -15.072 13.942 10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.610 14.908 10.394 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -15.949 15.256 8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -15.546 16.297 9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.224 16.563 8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.041 15.923 7.236 1.00 0.00 H new ATOM 0 HE ARG A 113 -15.185 17.937 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -13.728 17.758 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -14.092 19.444 10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -15.643 20.100 7.481 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -15.170 20.762 9.049 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.774 11.308 8.704 1.00 0.00 N ATOM 1899 CA GLN A 114 -12.230 10.080 9.272 1.00 0.00 C ATOM 1900 C GLN A 114 -10.826 9.815 8.737 1.00 0.00 C ATOM 1901 O GLN A 114 -9.937 9.393 9.479 1.00 0.00 O ATOM 1902 CB GLN A 114 -13.141 8.895 8.950 1.00 0.00 C ATOM 1903 CG GLN A 114 -14.415 8.865 9.778 1.00 0.00 C ATOM 1904 CD GLN A 114 -14.357 7.846 10.899 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -13.279 7.491 11.376 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -15.521 7.371 11.329 1.00 0.00 N ATOM 0 H GLN A 114 -12.816 11.317 7.685 1.00 0.00 H new ATOM 0 HA GLN A 114 -12.175 10.201 10.354 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -13.405 8.927 7.893 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -12.590 7.969 9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.593 9.854 10.200 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.261 8.638 9.129 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.391 7.693 10.905 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -15.544 6.684 12.083 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.635 10.067 7.447 1.00 0.00 N ATOM 1916 CA ALA A 115 -9.341 9.860 6.809 1.00 0.00 C ATOM 1917 C ALA A 115 -8.254 10.703 7.468 1.00 0.00 C ATOM 1918 O ALA A 115 -7.065 10.416 7.328 1.00 0.00 O ATOM 1919 CB ALA A 115 -9.430 10.177 5.324 1.00 0.00 C ATOM 0 H ALA A 115 -11.362 10.416 6.822 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.070 8.812 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.457 10.018 4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.167 9.524 4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.730 11.216 5.191 1.00 0.00 H new ATOM 1925 N ARG A 116 -8.666 11.747 8.183 1.00 0.00 N ATOM 1926 CA ARG A 116 -7.721 12.630 8.857 1.00 0.00 C ATOM 1927 C ARG A 116 -6.823 13.332 7.840 1.00 0.00 C ATOM 1928 O ARG A 116 -6.077 12.681 7.110 1.00 0.00 O ATOM 1929 CB ARG A 116 -6.867 11.838 9.852 1.00 0.00 C ATOM 1930 CG ARG A 116 -7.407 11.867 11.273 1.00 0.00 C ATOM 1931 CD ARG A 116 -6.615 10.948 12.189 1.00 0.00 C ATOM 1932 NE ARG A 116 -5.386 11.576 12.668 1.00 0.00 N ATOM 1933 CZ ARG A 116 -4.360 10.902 13.185 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -4.411 9.580 13.291 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -3.280 11.552 13.597 1.00 0.00 N ATOM 0 H ARG A 116 -9.646 12.001 8.310 1.00 0.00 H new ATOM 0 HA ARG A 116 -8.288 13.385 9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -6.801 10.803 9.518 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.854 12.239 9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -7.369 12.886 11.657 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.455 11.566 11.271 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -7.233 10.666 13.041 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.368 10.030 11.656 1.00 0.00 H new ATOM 0 HE ARG A 116 -5.309 12.591 12.603 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -5.239 9.075 12.976 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -3.622 9.069 13.688 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -3.235 12.568 13.518 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -2.494 11.036 13.993 1.00 0.00 H new ATOM 1949 N PRO A 117 -6.883 14.675 7.777 1.00 0.00 N ATOM 1950 CA PRO A 117 -6.070 15.455 6.838 1.00 0.00 C ATOM 1951 C PRO A 117 -4.596 15.059 6.868 1.00 0.00 C ATOM 1952 O PRO A 117 -3.811 15.607 7.641 1.00 0.00 O ATOM 1953 CB PRO A 117 -6.245 16.891 7.332 1.00 0.00 C ATOM 1954 CG PRO A 117 -7.580 16.900 7.992 1.00 0.00 C ATOM 1955 CD PRO A 117 -7.746 15.539 8.609 1.00 0.00 C ATOM 0 HA PRO A 117 -6.382 15.299 5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.456 17.169 8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -6.206 17.602 6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.635 17.681 8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -8.371 17.100 7.269 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -7.434 15.531 9.653 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.785 15.211 8.584 1.00 0.00 H new ATOM 1963 N THR A 118 -4.231 14.108 6.017 1.00 0.00 N ATOM 1964 CA THR A 118 -2.853 13.637 5.934 1.00 0.00 C ATOM 1965 C THR A 118 -2.289 13.879 4.539 1.00 0.00 C ATOM 1966 O THR A 118 -2.860 14.637 3.754 1.00 0.00 O ATOM 1967 CB THR A 118 -2.782 12.148 6.280 1.00 0.00 C ATOM 1968 OG1 THR A 118 -1.439 11.701 6.302 1.00 0.00 O ATOM 1969 CG2 THR A 118 -3.541 11.271 5.309 1.00 0.00 C ATOM 0 H THR A 118 -4.872 13.646 5.372 1.00 0.00 H new ATOM 0 HA THR A 118 -2.253 14.195 6.652 1.00 0.00 H new ATOM 0 HB THR A 118 -3.244 12.059 7.263 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.415 10.747 6.527 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.449 10.228 5.613 1.00 0.00 H new ATOM 0 HG22 THR A 118 -4.593 11.557 5.306 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.128 11.395 4.308 1.00 0.00 H new ATOM 1977 N TYR A 119 -1.169 13.233 4.231 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.541 13.386 2.926 1.00 0.00 C ATOM 1979 C TYR A 119 -1.446 12.845 1.823 1.00 0.00 C ATOM 1980 O TYR A 119 -1.656 13.501 0.804 1.00 0.00 O ATOM 1981 CB TYR A 119 0.809 12.666 2.888 1.00 0.00 C ATOM 1982 CG TYR A 119 1.521 12.795 1.559 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.084 12.086 0.447 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.623 13.628 1.416 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.725 12.204 -0.771 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.270 13.750 0.200 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.817 13.037 -0.889 1.00 0.00 C ATOM 1988 OH TYR A 119 3.455 13.158 -2.103 1.00 0.00 O ATOM 0 H TYR A 119 -0.680 12.601 4.865 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.378 14.450 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.448 13.066 3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.656 11.610 3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.229 11.432 0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 119 2.980 14.189 2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.372 11.647 -1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.126 14.401 0.104 1.00 0.00 H new ATOM 0 HH TYR A 119 4.039 13.945 -2.089 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.976 11.644 2.032 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.854 11.019 1.051 1.00 0.00 C ATOM 2000 C ALA A 120 -4.091 11.870 0.795 1.00 0.00 C ATOM 2001 O ALA A 120 -4.410 12.179 -0.354 1.00 0.00 O ATOM 2002 CB ALA A 120 -3.257 9.627 1.512 1.00 0.00 C ATOM 0 H ALA A 120 -1.813 11.086 2.870 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.304 10.935 0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.913 9.173 0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.366 9.012 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.782 9.697 2.465 1.00 0.00 H new ATOM 2008 N THR A 121 -4.785 12.250 1.864 1.00 0.00 N ATOM 2009 CA THR A 121 -5.987 13.069 1.739 1.00 0.00 C ATOM 2010 C THR A 121 -5.673 14.376 1.019 1.00 0.00 C ATOM 2011 O THR A 121 -6.361 14.749 0.070 1.00 0.00 O ATOM 2012 CB THR A 121 -6.586 13.356 3.116 1.00 0.00 C ATOM 2013 OG1 THR A 121 -5.673 14.079 3.921 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.973 12.101 3.869 1.00 0.00 C ATOM 0 H THR A 121 -4.537 12.005 2.823 1.00 0.00 H new ATOM 0 HA THR A 121 -6.717 12.515 1.150 1.00 0.00 H new ATOM 0 HB THR A 121 -7.487 13.940 2.925 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.777 15.039 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.392 12.373 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.716 11.547 3.295 1.00 0.00 H new ATOM 0 HG23 THR A 121 -6.090 11.479 4.017 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.620 15.058 1.464 1.00 0.00 N ATOM 2023 CA ALA A 122 -4.211 16.310 0.841 1.00 0.00 C ATOM 2024 C ALA A 122 -3.938 16.082 -0.640 1.00 0.00 C ATOM 2025 O ALA A 122 -4.514 16.741 -1.512 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.977 16.870 1.531 1.00 0.00 C ATOM 0 H ALA A 122 -4.039 14.765 2.249 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.017 17.037 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.686 17.805 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.200 17.054 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.160 16.153 1.454 1.00 0.00 H new ATOM 2032 N MET A 123 -3.074 15.114 -0.913 1.00 0.00 N ATOM 2033 CA MET A 123 -2.729 14.754 -2.280 1.00 0.00 C ATOM 2034 C MET A 123 -3.991 14.398 -3.053 1.00 0.00 C ATOM 2035 O MET A 123 -4.113 14.704 -4.238 1.00 0.00 O ATOM 2036 CB MET A 123 -1.742 13.585 -2.282 1.00 0.00 C ATOM 2037 CG MET A 123 -0.983 13.423 -3.590 1.00 0.00 C ATOM 2038 SD MET A 123 -1.277 11.826 -4.368 1.00 0.00 S ATOM 2039 CE MET A 123 -3.060 11.735 -4.255 1.00 0.00 C ATOM 0 H MET A 123 -2.597 14.561 -0.201 1.00 0.00 H new ATOM 0 HA MET A 123 -2.252 15.604 -2.767 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.026 13.725 -1.472 1.00 0.00 H new ATOM 0 HB3 MET A 123 -2.285 12.663 -2.071 1.00 0.00 H new ATOM 0 HG2 MET A 123 -1.276 14.217 -4.277 1.00 0.00 H new ATOM 0 HG3 MET A 123 0.084 13.541 -3.403 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.409 10.825 -4.743 1.00 0.00 H new ATOM 0 HE2 MET A 123 -3.358 11.722 -3.207 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.500 12.602 -4.747 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.940 13.774 -2.361 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.208 13.400 -2.971 1.00 0.00 C ATOM 2051 C LEU A 124 -6.983 14.651 -3.359 1.00 0.00 C ATOM 2052 O LEU A 124 -7.527 14.748 -4.460 1.00 0.00 O ATOM 2053 CB LEU A 124 -7.037 12.552 -2.004 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.913 11.484 -2.665 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.328 10.094 -2.448 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.335 11.555 -2.131 1.00 0.00 C ATOM 0 H LEU A 124 -4.853 13.518 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.006 12.811 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.361 12.063 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.676 13.214 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.937 11.679 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.967 9.352 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.330 10.048 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.268 9.887 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.943 10.789 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.328 11.389 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.755 12.538 -2.344 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.016 15.618 -2.442 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.710 16.876 -2.679 1.00 0.00 C ATOM 2070 C GLN A 125 -7.290 17.466 -4.017 1.00 0.00 C ATOM 2071 O GLN A 125 -8.126 17.923 -4.797 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.423 17.871 -1.554 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.082 17.505 -0.235 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.586 17.352 -0.359 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.198 17.866 -1.294 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -10.189 16.644 0.588 1.00 0.00 N ATOM 0 H GLN A 125 -6.568 15.550 -1.528 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.781 16.677 -2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.345 17.938 -1.406 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.765 18.860 -1.859 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.655 16.573 0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.858 18.274 0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.642 16.235 1.346 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.200 16.509 0.558 1.00 0.00 H new ATOM 2085 N ASN A 126 -5.988 17.439 -4.285 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.472 17.959 -5.547 1.00 0.00 C ATOM 2087 C ASN A 126 -5.570 16.908 -6.645 1.00 0.00 C ATOM 2088 O ASN A 126 -5.626 17.240 -7.830 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.025 18.455 -5.404 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.194 17.612 -4.457 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -2.646 16.580 -4.842 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -3.092 18.056 -3.209 1.00 0.00 N ATOM 0 H ASN A 126 -5.278 17.067 -3.654 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.090 18.812 -5.827 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.551 18.460 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -4.035 19.486 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.542 17.535 -2.526 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -3.564 18.917 -2.934 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.610 15.637 -6.251 1.00 0.00 N ATOM 2100 CA LEU A 127 -5.726 14.547 -7.213 1.00 0.00 C ATOM 2101 C LEU A 127 -7.075 14.603 -7.924 1.00 0.00 C ATOM 2102 O LEU A 127 -7.245 14.025 -8.998 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.569 13.195 -6.514 1.00 0.00 C ATOM 2104 CG LEU A 127 -4.893 12.107 -7.351 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -3.390 12.334 -7.409 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -5.204 10.729 -6.782 1.00 0.00 C ATOM 0 H LEU A 127 -5.564 15.339 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.931 14.660 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.992 13.340 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.556 12.841 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.286 12.158 -8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.927 11.550 -8.008 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.186 13.305 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.979 12.310 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.716 9.966 -7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.837 10.667 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.282 10.566 -6.792 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.033 15.303 -7.318 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.365 15.430 -7.896 1.00 0.00 C ATOM 2120 C LEU A 128 -9.775 16.894 -8.016 1.00 0.00 C ATOM 2121 O LEU A 128 -10.583 17.391 -7.232 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.387 14.668 -7.055 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.342 14.982 -5.560 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -11.576 15.769 -5.141 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -10.217 13.704 -4.746 1.00 0.00 C ATOM 0 H LEU A 128 -7.910 15.789 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.337 14.999 -8.897 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -11.386 14.892 -7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -10.227 13.599 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.463 15.596 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -11.526 15.983 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -11.617 16.705 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -12.470 15.183 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -10.187 13.950 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -11.074 13.061 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -9.300 13.184 -5.024 1.00 0.00 H new