USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot 137:sc= 0.952 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.974! K(o=-0.022!,f=-4.3) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.114 K(o=-1,f=-9.3!) USER MOD Set 2.2: A 92 SER OG : rot -107:sc= -1.13 USER MOD Single : A 15 GLN : amide:sc= -0.98 K(o=-0.98,f=-2.4) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0539 F(o=-2!,f=-0.054) USER MOD Single : A 40 HIS : no HD1:sc= -2.02! C(o=-2!,f=-3.5!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0198 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 66 ASN : amide:sc= -1.17! C(o=-1.2!,f=-1.3!) USER MOD Single : A 71 MET CE :methyl -134:sc= -1.16 (180deg=-6.34!) USER MOD Single : A 77 MET CE :methyl -164:sc= -2.53 (180deg=-3.16!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.284 F(o=-1.3,f=-0.28) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0165 K(o=-0.017,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= 0.304 (180deg=0.167) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 12 -8.491 -5.929 -8.656 1.00 0.00 N ATOM 130 CA ILE A 12 -7.417 -5.131 -9.234 1.00 0.00 C ATOM 131 C ILE A 12 -6.608 -4.429 -8.148 1.00 0.00 C ATOM 132 O ILE A 12 -7.052 -3.435 -7.574 1.00 0.00 O ATOM 133 CB ILE A 12 -7.964 -4.076 -10.214 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.937 -4.722 -11.201 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.821 -3.398 -10.954 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.665 -3.723 -12.073 1.00 0.00 C ATOM 0 HA ILE A 12 -6.770 -5.819 -9.778 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.503 -3.318 -9.646 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.389 -5.416 -11.838 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.669 -5.309 -10.646 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.223 -2.655 -11.643 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.163 -2.908 -10.236 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.257 -4.144 -11.514 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.338 -4.252 -12.748 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.241 -3.044 -11.445 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.941 -3.153 -12.655 1.00 0.00 H new ATOM 148 N TRP A 13 -5.419 -4.952 -7.873 1.00 0.00 N ATOM 149 CA TRP A 13 -4.546 -4.374 -6.857 1.00 0.00 C ATOM 150 C TRP A 13 -3.818 -3.148 -7.398 1.00 0.00 C ATOM 151 O TRP A 13 -2.876 -3.270 -8.179 1.00 0.00 O ATOM 152 CB TRP A 13 -3.532 -5.413 -6.375 1.00 0.00 C ATOM 153 CG TRP A 13 -4.152 -6.526 -5.586 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.861 -7.584 -6.078 1.00 0.00 C ATOM 155 CD2 TRP A 13 -4.120 -6.689 -4.164 1.00 0.00 C ATOM 156 NE1 TRP A 13 -5.271 -8.396 -5.048 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.829 -7.869 -3.863 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.559 -5.955 -3.115 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.991 -8.327 -2.559 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.722 -6.411 -1.821 1.00 0.00 C ATOM 161 CH2 TRP A 13 -4.432 -7.589 -1.552 1.00 0.00 C ATOM 0 H TRP A 13 -5.037 -5.775 -8.339 1.00 0.00 H new ATOM 0 HA TRP A 13 -5.165 -4.064 -6.016 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -3.015 -5.833 -7.238 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.779 -4.918 -5.762 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.069 -7.757 -7.123 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.816 -9.252 -5.149 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -3.008 -5.047 -3.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.539 -9.234 -2.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.295 -5.850 -1.003 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.540 -7.921 -0.530 1.00 0.00 H new ATOM 172 N GLU A 14 -4.262 -1.968 -6.976 1.00 0.00 N ATOM 173 CA GLU A 14 -3.652 -0.720 -7.420 1.00 0.00 C ATOM 174 C GLU A 14 -2.634 -0.219 -6.400 1.00 0.00 C ATOM 175 O GLU A 14 -2.771 -0.462 -5.201 1.00 0.00 O ATOM 176 CB GLU A 14 -4.726 0.345 -7.650 1.00 0.00 C ATOM 177 CG GLU A 14 -5.798 -0.076 -8.641 1.00 0.00 C ATOM 178 CD GLU A 14 -5.468 0.327 -10.065 1.00 0.00 C ATOM 179 OE1 GLU A 14 -5.145 1.512 -10.287 1.00 0.00 O ATOM 180 OE2 GLU A 14 -5.533 -0.544 -10.957 1.00 0.00 O ATOM 0 H GLU A 14 -5.041 -1.850 -6.328 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.134 -0.913 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.198 0.585 -6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.250 1.258 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.926 -1.157 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.750 0.371 -8.352 1.00 0.00 H new ATOM 187 N GLN A 15 -1.613 0.480 -6.885 1.00 0.00 N ATOM 188 CA GLN A 15 -0.571 1.013 -6.016 1.00 0.00 C ATOM 189 C GLN A 15 -0.884 2.449 -5.609 1.00 0.00 C ATOM 190 O GLN A 15 -1.654 3.140 -6.277 1.00 0.00 O ATOM 191 CB GLN A 15 0.788 0.954 -6.717 1.00 0.00 C ATOM 192 CG GLN A 15 1.573 -0.312 -6.414 1.00 0.00 C ATOM 193 CD GLN A 15 2.959 -0.300 -7.028 1.00 0.00 C ATOM 194 OE1 GLN A 15 3.948 -0.608 -6.363 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.038 0.057 -8.305 1.00 0.00 N ATOM 0 H GLN A 15 -1.485 0.690 -7.875 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.534 0.399 -5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.636 1.029 -7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.380 1.819 -6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.659 -0.432 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.022 -1.175 -6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.192 0.305 -8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.944 0.084 -8.772 1.00 0.00 H new ATOM 204 N TYR A 16 -0.282 2.892 -4.511 1.00 0.00 N ATOM 205 CA TYR A 16 -0.499 4.246 -4.014 1.00 0.00 C ATOM 206 C TYR A 16 0.801 4.850 -3.493 1.00 0.00 C ATOM 207 O TYR A 16 1.301 4.464 -2.436 1.00 0.00 O ATOM 208 CB TYR A 16 -1.552 4.241 -2.904 1.00 0.00 C ATOM 209 CG TYR A 16 -2.945 3.916 -3.392 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.254 2.652 -3.881 1.00 0.00 C ATOM 211 CD2 TYR A 16 -3.953 4.872 -3.367 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.525 2.350 -4.329 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.228 4.578 -3.811 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.509 3.316 -4.292 1.00 0.00 C ATOM 215 OH TYR A 16 -6.777 3.020 -4.737 1.00 0.00 O ATOM 0 H TYR A 16 0.360 2.334 -3.948 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.856 4.857 -4.843 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.264 3.514 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.564 5.218 -2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.487 1.893 -3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.736 5.862 -2.994 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.747 1.363 -4.706 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.000 5.332 -3.782 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.350 3.809 -4.642 1.00 0.00 H new ATOM 225 N THR A 17 1.346 5.802 -4.245 1.00 0.00 N ATOM 226 CA THR A 17 2.588 6.461 -3.862 1.00 0.00 C ATOM 227 C THR A 17 2.315 7.782 -3.153 1.00 0.00 C ATOM 228 O THR A 17 2.042 8.797 -3.795 1.00 0.00 O ATOM 229 CB THR A 17 3.485 6.724 -5.086 1.00 0.00 C ATOM 230 OG1 THR A 17 3.766 5.493 -5.762 1.00 0.00 O ATOM 231 CG2 THR A 17 4.789 7.388 -4.670 1.00 0.00 C ATOM 0 H THR A 17 0.946 6.133 -5.123 1.00 0.00 H new ATOM 0 HA THR A 17 3.105 5.787 -3.180 1.00 0.00 H new ATOM 0 HB THR A 17 2.953 7.395 -5.760 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.335 5.670 -6.540 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.405 7.563 -5.552 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.574 8.339 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.323 6.738 -3.977 1.00 0.00 H new ATOM 239 N VAL A 18 2.390 7.764 -1.826 1.00 0.00 N ATOM 240 CA VAL A 18 2.151 8.962 -1.030 1.00 0.00 C ATOM 241 C VAL A 18 3.365 9.303 -0.173 1.00 0.00 C ATOM 242 O VAL A 18 4.226 8.456 0.070 1.00 0.00 O ATOM 243 CB VAL A 18 0.923 8.794 -0.117 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.362 8.971 -0.911 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.951 7.436 0.570 1.00 0.00 C ATOM 0 H VAL A 18 2.614 6.933 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 18 1.964 9.776 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 18 0.956 9.566 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.219 8.849 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.383 9.968 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.406 8.223 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.076 7.335 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.943 6.647 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.855 7.352 1.174 1.00 0.00 H new ATOM 255 N THR A 19 3.429 10.550 0.283 1.00 0.00 N ATOM 256 CA THR A 19 4.538 11.004 1.113 1.00 0.00 C ATOM 257 C THR A 19 4.049 11.459 2.483 1.00 0.00 C ATOM 258 O THR A 19 3.076 12.206 2.590 1.00 0.00 O ATOM 259 CB THR A 19 5.304 12.160 0.444 1.00 0.00 C ATOM 260 OG1 THR A 19 4.421 12.910 -0.398 1.00 0.00 O ATOM 261 CG2 THR A 19 6.470 11.633 -0.378 1.00 0.00 C ATOM 0 H THR A 19 2.726 11.264 0.091 1.00 0.00 H new ATOM 0 HA THR A 19 5.210 10.155 1.234 1.00 0.00 H new ATOM 0 HB THR A 19 5.696 12.808 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.915 13.644 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.996 12.468 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.155 11.087 0.271 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.096 10.965 -1.154 1.00 0.00 H new ATOM 269 N LEU A 20 4.730 11.005 3.530 1.00 0.00 N ATOM 270 CA LEU A 20 4.365 11.366 4.895 1.00 0.00 C ATOM 271 C LEU A 20 5.422 12.270 5.520 1.00 0.00 C ATOM 272 O LEU A 20 6.618 12.097 5.284 1.00 0.00 O ATOM 273 CB LEU A 20 4.185 10.108 5.746 1.00 0.00 C ATOM 274 CG LEU A 20 3.355 8.987 5.120 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.762 7.638 5.692 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.870 9.236 5.341 1.00 0.00 C ATOM 0 H LEU A 20 5.538 10.386 3.459 1.00 0.00 H new ATOM 0 HA LEU A 20 3.422 11.911 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.172 9.712 5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.719 10.395 6.689 1.00 0.00 H new ATOM 0 HG LEU A 20 3.546 8.976 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.161 6.852 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.816 7.457 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.602 7.637 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.294 8.428 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.663 9.275 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.588 10.184 4.882 1.00 0.00 H new ATOM 288 N GLN A 21 4.974 13.232 6.321 1.00 0.00 N ATOM 289 CA GLN A 21 5.883 14.161 6.981 1.00 0.00 C ATOM 290 C GLN A 21 6.096 13.770 8.440 1.00 0.00 C ATOM 291 O GLN A 21 5.143 13.463 9.157 1.00 0.00 O ATOM 292 CB GLN A 21 5.336 15.588 6.898 1.00 0.00 C ATOM 293 CG GLN A 21 5.059 16.051 5.477 1.00 0.00 C ATOM 294 CD GLN A 21 4.434 17.431 5.424 1.00 0.00 C ATOM 295 OE1 GLN A 21 4.810 18.325 6.183 1.00 0.00 O ATOM 296 NE2 GLN A 21 3.473 17.612 4.525 1.00 0.00 N ATOM 0 H GLN A 21 3.988 13.388 6.528 1.00 0.00 H new ATOM 0 HA GLN A 21 6.844 14.117 6.468 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.415 15.649 7.477 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.050 16.269 7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.991 16.057 4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.396 15.337 4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.193 16.843 3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.015 18.520 4.444 1.00 0.00 H new ATOM 305 N LYS A 22 7.352 13.783 8.873 1.00 0.00 N ATOM 306 CA LYS A 22 7.691 13.431 10.247 1.00 0.00 C ATOM 307 C LYS A 22 7.114 14.447 11.227 1.00 0.00 C ATOM 308 O LYS A 22 7.754 15.449 11.547 1.00 0.00 O ATOM 309 CB LYS A 22 9.211 13.352 10.414 1.00 0.00 C ATOM 310 CG LYS A 22 9.653 12.386 11.499 1.00 0.00 C ATOM 311 CD LYS A 22 10.995 11.753 11.169 1.00 0.00 C ATOM 312 CE LYS A 22 11.242 10.505 12.001 1.00 0.00 C ATOM 313 NZ LYS A 22 11.956 10.817 13.270 1.00 0.00 N ATOM 0 H LYS A 22 8.152 14.034 8.292 1.00 0.00 H new ATOM 0 HA LYS A 22 7.256 12.455 10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.657 13.050 9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.595 14.346 10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.722 12.913 12.451 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.902 11.606 11.621 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.027 11.498 10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.792 12.474 11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.290 10.026 12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.827 9.792 11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.106 9.940 13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.876 11.251 13.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.386 11.478 13.836 1.00 0.00 H new ATOM 327 N ASP A 23 5.902 14.181 11.702 1.00 0.00 N ATOM 328 CA ASP A 23 5.240 15.070 12.649 1.00 0.00 C ATOM 329 C ASP A 23 6.139 15.356 13.847 1.00 0.00 C ATOM 330 O ASP A 23 7.263 14.860 13.924 1.00 0.00 O ATOM 331 CB ASP A 23 3.920 14.457 13.120 1.00 0.00 C ATOM 332 CG ASP A 23 2.922 15.506 13.569 1.00 0.00 C ATOM 333 OD1 ASP A 23 2.707 16.480 12.818 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.355 15.353 14.672 1.00 0.00 O ATOM 0 H ASP A 23 5.358 13.357 11.447 1.00 0.00 H new ATOM 0 HA ASP A 23 5.033 16.012 12.141 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.486 13.870 12.311 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.115 13.770 13.943 1.00 0.00 H new ATOM 339 N SER A 24 5.637 16.159 14.780 1.00 0.00 N ATOM 340 CA SER A 24 6.397 16.514 15.973 1.00 0.00 C ATOM 341 C SER A 24 7.186 15.316 16.491 1.00 0.00 C ATOM 342 O SER A 24 8.401 15.231 16.309 1.00 0.00 O ATOM 343 CB SER A 24 5.460 17.034 17.065 1.00 0.00 C ATOM 344 OG SER A 24 4.691 18.129 16.598 1.00 0.00 O ATOM 0 H SER A 24 4.707 16.576 14.733 1.00 0.00 H new ATOM 0 HA SER A 24 7.101 17.301 15.704 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.797 16.233 17.391 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.043 17.339 17.934 1.00 0.00 H new ATOM 0 HG SER A 24 4.099 18.442 17.314 1.00 0.00 H new ATOM 350 N LYS A 25 6.487 14.390 17.139 1.00 0.00 N ATOM 351 CA LYS A 25 7.119 13.195 17.684 1.00 0.00 C ATOM 352 C LYS A 25 6.668 11.949 16.929 1.00 0.00 C ATOM 353 O LYS A 25 7.479 11.258 16.311 1.00 0.00 O ATOM 354 CB LYS A 25 6.787 13.051 19.171 1.00 0.00 C ATOM 355 CG LYS A 25 7.673 13.890 20.076 1.00 0.00 C ATOM 356 CD LYS A 25 9.112 13.403 20.054 1.00 0.00 C ATOM 357 CE LYS A 25 9.957 14.114 21.100 1.00 0.00 C ATOM 358 NZ LYS A 25 11.405 14.092 20.753 1.00 0.00 N ATOM 0 H LYS A 25 5.481 14.445 17.299 1.00 0.00 H new ATOM 0 HA LYS A 25 8.198 13.299 17.567 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.747 13.334 19.331 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.880 12.003 19.456 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.636 14.932 19.759 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.291 13.853 21.096 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.136 12.328 20.234 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.539 13.570 19.065 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.622 15.147 21.196 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.809 13.639 22.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.946 14.587 21.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.731 13.107 20.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.550 14.567 19.839 1.00 0.00 H new ATOM 372 N ARG A 26 5.370 11.668 16.981 1.00 0.00 N ATOM 373 CA ARG A 26 4.812 10.505 16.301 1.00 0.00 C ATOM 374 C ARG A 26 5.555 10.228 14.998 1.00 0.00 C ATOM 375 O ARG A 26 5.742 9.076 14.610 1.00 0.00 O ATOM 376 CB ARG A 26 3.324 10.718 16.017 1.00 0.00 C ATOM 377 CG ARG A 26 2.427 10.401 17.202 1.00 0.00 C ATOM 378 CD ARG A 26 2.385 8.908 17.486 1.00 0.00 C ATOM 379 NE ARG A 26 1.590 8.598 18.671 1.00 0.00 N ATOM 380 CZ ARG A 26 1.964 8.905 19.908 1.00 0.00 C ATOM 381 NH1 ARG A 26 3.116 9.526 20.121 1.00 0.00 N ATOM 382 NH2 ARG A 26 1.186 8.590 20.936 1.00 0.00 N ATOM 0 H ARG A 26 4.685 12.230 17.487 1.00 0.00 H new ATOM 0 HA ARG A 26 4.930 9.642 16.956 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.164 11.754 15.718 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.031 10.094 15.173 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.787 10.930 18.084 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.418 10.763 17.003 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.969 8.387 16.624 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.400 8.537 17.624 1.00 0.00 H new ATOM 0 HE ARG A 26 0.699 8.119 18.542 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.717 9.769 19.334 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.401 9.761 21.072 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.299 8.111 20.777 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.475 8.826 21.885 1.00 0.00 H new ATOM 396 N GLY A 27 5.977 11.295 14.325 1.00 0.00 N ATOM 397 CA GLY A 27 6.694 11.146 13.072 1.00 0.00 C ATOM 398 C GLY A 27 5.770 10.858 11.906 1.00 0.00 C ATOM 399 O GLY A 27 4.914 11.676 11.565 1.00 0.00 O ATOM 0 H GLY A 27 5.835 12.259 14.625 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.257 12.057 12.869 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.419 10.337 13.166 1.00 0.00 H new ATOM 403 N PHE A 28 5.942 9.693 11.290 1.00 0.00 N ATOM 404 CA PHE A 28 5.118 9.300 10.153 1.00 0.00 C ATOM 405 C PHE A 28 3.782 8.729 10.621 1.00 0.00 C ATOM 406 O PHE A 28 3.022 8.173 9.830 1.00 0.00 O ATOM 407 CB PHE A 28 5.854 8.269 9.295 1.00 0.00 C ATOM 408 CG PHE A 28 7.172 8.759 8.767 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.246 9.933 8.034 1.00 0.00 C ATOM 410 CD2 PHE A 28 8.336 8.047 9.005 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.458 10.385 7.547 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.551 8.495 8.521 1.00 0.00 C ATOM 413 CZ PHE A 28 9.612 9.667 7.792 1.00 0.00 C ATOM 0 H PHE A 28 6.645 9.005 11.559 1.00 0.00 H new ATOM 0 HA PHE A 28 4.923 10.189 9.553 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.021 7.369 9.886 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.218 7.986 8.456 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.347 10.500 7.841 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.294 7.131 9.575 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.503 11.300 6.975 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.451 7.930 8.712 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.560 10.021 7.415 1.00 0.00 H new ATOM 423 N GLY A 29 3.504 8.872 11.913 1.00 0.00 N ATOM 424 CA GLY A 29 2.262 8.365 12.465 1.00 0.00 C ATOM 425 C GLY A 29 1.840 7.052 11.835 1.00 0.00 C ATOM 426 O GLY A 29 0.676 6.874 11.475 1.00 0.00 O ATOM 0 H GLY A 29 4.117 9.330 12.587 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.375 8.228 13.540 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.474 9.104 12.319 1.00 0.00 H new ATOM 430 N ILE A 30 2.789 6.131 11.700 1.00 0.00 N ATOM 431 CA ILE A 30 2.509 4.829 11.108 1.00 0.00 C ATOM 432 C ILE A 30 3.326 3.732 11.784 1.00 0.00 C ATOM 433 O ILE A 30 4.429 3.976 12.271 1.00 0.00 O ATOM 434 CB ILE A 30 2.810 4.820 9.598 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.228 5.330 9.335 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.790 5.666 8.850 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.698 5.103 7.915 1.00 0.00 C ATOM 0 H ILE A 30 3.757 6.263 11.992 1.00 0.00 H new ATOM 0 HA ILE A 30 1.447 4.635 11.259 1.00 0.00 H new ATOM 0 HB ILE A 30 2.740 3.795 9.235 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.269 6.396 9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.916 4.835 10.020 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.016 5.650 7.784 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.791 5.262 9.015 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.831 6.692 9.214 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.711 5.489 7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.690 4.035 7.695 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.032 5.621 7.224 1.00 0.00 H new ATOM 449 N ALA A 31 2.776 2.522 11.807 1.00 0.00 N ATOM 450 CA ALA A 31 3.455 1.386 12.419 1.00 0.00 C ATOM 451 C ALA A 31 3.305 0.132 11.564 1.00 0.00 C ATOM 452 O ALA A 31 2.218 -0.170 11.072 1.00 0.00 O ATOM 453 CB ALA A 31 2.914 1.141 13.820 1.00 0.00 C ATOM 0 H ALA A 31 1.863 2.303 11.409 1.00 0.00 H new ATOM 0 HA ALA A 31 4.517 1.622 12.488 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.430 0.290 14.265 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.078 2.027 14.434 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.846 0.930 13.766 1.00 0.00 H new ATOM 459 N VAL A 32 4.404 -0.595 11.392 1.00 0.00 N ATOM 460 CA VAL A 32 4.395 -1.817 10.597 1.00 0.00 C ATOM 461 C VAL A 32 4.232 -3.048 11.482 1.00 0.00 C ATOM 462 O VAL A 32 4.537 -3.012 12.674 1.00 0.00 O ATOM 463 CB VAL A 32 5.687 -1.960 9.771 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.726 -0.925 8.657 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.909 -1.836 10.669 1.00 0.00 C ATOM 0 H VAL A 32 5.312 -0.359 11.792 1.00 0.00 H new ATOM 0 HA VAL A 32 3.545 -1.746 9.918 1.00 0.00 H new ATOM 0 HB VAL A 32 5.699 -2.950 9.315 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.646 -1.041 8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.869 -1.066 7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.691 0.075 9.088 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.813 -1.939 10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.906 -0.860 11.155 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.885 -2.619 11.427 1.00 0.00 H new ATOM 475 N SER A 33 3.749 -4.136 10.891 1.00 0.00 N ATOM 476 CA SER A 33 3.543 -5.378 11.627 1.00 0.00 C ATOM 477 C SER A 33 3.858 -6.587 10.752 1.00 0.00 C ATOM 478 O SER A 33 3.975 -6.471 9.533 1.00 0.00 O ATOM 479 CB SER A 33 2.101 -5.462 12.132 1.00 0.00 C ATOM 480 OG SER A 33 1.223 -5.881 11.102 1.00 0.00 O ATOM 0 H SER A 33 3.493 -4.183 9.905 1.00 0.00 H new ATOM 0 HA SER A 33 4.221 -5.383 12.480 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.045 -6.160 12.968 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.787 -4.488 12.508 1.00 0.00 H new ATOM 0 HG SER A 33 0.308 -5.928 11.451 1.00 0.00 H new ATOM 486 N GLY A 34 3.995 -7.748 11.385 1.00 0.00 N ATOM 487 CA GLY A 34 4.296 -8.963 10.649 1.00 0.00 C ATOM 488 C GLY A 34 5.767 -9.082 10.304 1.00 0.00 C ATOM 489 O GLY A 34 6.621 -8.530 10.996 1.00 0.00 O ATOM 0 H GLY A 34 3.903 -7.869 12.394 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.994 -9.827 11.241 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.708 -8.984 9.731 1.00 0.00 H new ATOM 493 N GLY A 35 6.065 -9.807 9.230 1.00 0.00 N ATOM 494 CA GLY A 35 7.443 -9.985 8.814 1.00 0.00 C ATOM 495 C GLY A 35 7.662 -11.290 8.075 1.00 0.00 C ATOM 496 O GLY A 35 6.812 -12.180 8.109 1.00 0.00 O ATOM 0 H GLY A 35 5.376 -10.274 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.736 -9.154 8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.091 -9.954 9.690 1.00 0.00 H new ATOM 500 N ARG A 36 8.804 -11.405 7.405 1.00 0.00 N ATOM 501 CA ARG A 36 9.130 -12.611 6.652 1.00 0.00 C ATOM 502 C ARG A 36 9.483 -13.760 7.592 1.00 0.00 C ATOM 503 O ARG A 36 9.319 -14.930 7.247 1.00 0.00 O ATOM 504 CB ARG A 36 10.295 -12.342 5.697 1.00 0.00 C ATOM 505 CG ARG A 36 11.633 -12.183 6.400 1.00 0.00 C ATOM 506 CD ARG A 36 12.782 -12.654 5.522 1.00 0.00 C ATOM 507 NE ARG A 36 12.906 -14.109 5.516 1.00 0.00 N ATOM 508 CZ ARG A 36 13.846 -14.764 4.844 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.741 -14.097 4.128 1.00 0.00 N ATOM 510 NH2 ARG A 36 13.894 -16.089 4.889 1.00 0.00 N ATOM 0 H ARG A 36 9.519 -10.678 7.368 1.00 0.00 H new ATOM 0 HA ARG A 36 8.252 -12.896 6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.365 -13.162 4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.084 -11.438 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.783 -11.137 6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.627 -12.752 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.628 -12.299 4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.713 -12.212 5.876 1.00 0.00 H new ATOM 0 HE ARG A 36 12.234 -14.652 6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.709 -13.078 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.462 -14.603 3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.209 -16.606 5.440 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.616 -16.591 4.373 1.00 0.00 H new ATOM 524 N ASP A 37 9.969 -13.417 8.780 1.00 0.00 N ATOM 525 CA ASP A 37 10.345 -14.419 9.770 1.00 0.00 C ATOM 526 C ASP A 37 9.333 -14.463 10.911 1.00 0.00 C ATOM 527 O ASP A 37 9.253 -15.446 11.645 1.00 0.00 O ATOM 528 CB ASP A 37 11.741 -14.124 10.321 1.00 0.00 C ATOM 529 CG ASP A 37 12.457 -15.377 10.784 1.00 0.00 C ATOM 530 OD1 ASP A 37 12.111 -15.894 11.867 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.364 -15.843 10.062 1.00 0.00 O ATOM 0 H ASP A 37 10.112 -12.453 9.081 1.00 0.00 H new ATOM 0 HA ASP A 37 10.355 -15.392 9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.336 -13.633 9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.660 -13.427 11.155 1.00 0.00 H new ATOM 536 N ASN A 38 8.562 -13.389 11.053 1.00 0.00 N ATOM 537 CA ASN A 38 7.556 -13.304 12.105 1.00 0.00 C ATOM 538 C ASN A 38 6.224 -12.814 11.546 1.00 0.00 C ATOM 539 O ASN A 38 5.674 -11.803 11.983 1.00 0.00 O ATOM 540 CB ASN A 38 8.031 -12.367 13.218 1.00 0.00 C ATOM 541 CG ASN A 38 8.946 -13.062 14.208 1.00 0.00 C ATOM 542 OD1 ASN A 38 10.067 -13.578 13.715 1.00 0.00 O flip ATOM 543 ND2 ASN A 38 8.650 -13.133 15.400 1.00 0.00 N flip ATOM 0 H ASN A 38 8.615 -12.566 10.453 1.00 0.00 H new ATOM 0 HA ASN A 38 7.411 -14.303 12.517 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.555 -11.519 12.777 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.166 -11.967 13.746 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.778 -12.722 15.734 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.276 -13.603 16.054 1.00 0.00 H new ATOM 550 N PRO A 39 5.692 -13.547 10.557 1.00 0.00 N ATOM 551 CA PRO A 39 4.418 -13.207 9.918 1.00 0.00 C ATOM 552 C PRO A 39 3.228 -13.419 10.847 1.00 0.00 C ATOM 553 O PRO A 39 2.526 -14.427 10.754 1.00 0.00 O ATOM 554 CB PRO A 39 4.348 -14.172 8.731 1.00 0.00 C ATOM 555 CG PRO A 39 5.191 -15.332 9.136 1.00 0.00 C ATOM 556 CD PRO A 39 6.293 -14.765 9.988 1.00 0.00 C ATOM 0 HA PRO A 39 4.373 -12.156 9.634 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.322 -14.479 8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.725 -13.707 7.820 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.606 -16.065 9.692 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.596 -15.844 8.263 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.599 -15.464 10.767 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.181 -14.537 9.398 1.00 0.00 H new ATOM 564 N HIS A 40 3.006 -12.464 11.744 1.00 0.00 N ATOM 565 CA HIS A 40 1.899 -12.546 12.691 1.00 0.00 C ATOM 566 C HIS A 40 0.637 -11.919 12.107 1.00 0.00 C ATOM 567 O HIS A 40 0.241 -10.819 12.494 1.00 0.00 O ATOM 568 CB HIS A 40 2.268 -11.850 14.001 1.00 0.00 C ATOM 569 CG HIS A 40 1.089 -11.556 14.876 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.110 -12.229 14.775 1.00 0.00 N ATOM 571 CD2 HIS A 40 0.930 -10.656 15.875 1.00 0.00 C ATOM 572 CE1 HIS A 40 -0.956 -11.755 15.671 1.00 0.00 C ATOM 573 NE2 HIS A 40 -0.350 -10.799 16.352 1.00 0.00 N ATOM 0 H HIS A 40 3.578 -11.624 11.835 1.00 0.00 H new ATOM 0 HA HIS A 40 1.702 -13.599 12.891 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.970 -12.477 14.550 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.783 -10.917 13.774 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.672 -9.956 16.231 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.971 -12.092 15.822 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.765 -10.256 17.109 1.00 0.00 H new ATOM 582 N PHE A 41 0.009 -12.626 11.172 1.00 0.00 N ATOM 583 CA PHE A 41 -1.208 -12.138 10.533 1.00 0.00 C ATOM 584 C PHE A 41 -2.258 -13.241 10.449 1.00 0.00 C ATOM 585 O PHE A 41 -3.127 -13.219 9.579 1.00 0.00 O ATOM 586 CB PHE A 41 -0.896 -11.607 9.132 1.00 0.00 C ATOM 587 CG PHE A 41 -1.777 -10.465 8.714 1.00 0.00 C ATOM 588 CD1 PHE A 41 -3.058 -10.338 9.224 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.323 -9.518 7.810 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.872 -9.288 8.841 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.131 -8.466 7.423 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.408 -8.351 7.939 1.00 0.00 C ATOM 0 H PHE A 41 0.323 -13.538 10.840 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.607 -11.326 11.141 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.145 -11.284 9.098 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.001 -12.419 8.413 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.426 -11.068 9.930 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.326 -9.603 7.403 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.869 -9.201 9.247 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.765 -7.734 6.718 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.042 -7.530 7.637 1.00 0.00 H new ATOM 602 N GLU A 42 -2.170 -14.205 11.361 1.00 0.00 N ATOM 603 CA GLU A 42 -3.112 -15.317 11.389 1.00 0.00 C ATOM 604 C GLU A 42 -3.437 -15.791 9.976 1.00 0.00 C ATOM 605 O GLU A 42 -4.496 -16.366 9.731 1.00 0.00 O ATOM 606 CB GLU A 42 -4.398 -14.908 12.111 1.00 0.00 C ATOM 607 CG GLU A 42 -5.127 -13.753 11.445 1.00 0.00 C ATOM 608 CD GLU A 42 -6.585 -13.671 11.854 1.00 0.00 C ATOM 609 OE1 GLU A 42 -7.283 -14.704 11.771 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.029 -12.575 12.256 1.00 0.00 O ATOM 0 H GLU A 42 -1.456 -14.238 12.089 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.646 -16.140 11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.066 -15.768 12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.157 -14.631 13.137 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.629 -12.818 11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.063 -13.863 10.363 1.00 0.00 H new ATOM 617 N ASN A 43 -2.518 -15.542 9.049 1.00 0.00 N ATOM 618 CA ASN A 43 -2.706 -15.942 7.659 1.00 0.00 C ATOM 619 C ASN A 43 -1.441 -16.587 7.101 1.00 0.00 C ATOM 620 O ASN A 43 -1.499 -17.623 6.441 1.00 0.00 O ATOM 621 CB ASN A 43 -3.093 -14.731 6.806 1.00 0.00 C ATOM 622 CG ASN A 43 -3.575 -15.127 5.424 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.746 -15.453 5.233 1.00 0.00 O ATOM 624 ND2 ASN A 43 -2.670 -15.101 4.452 1.00 0.00 N ATOM 0 H ASN A 43 -1.636 -15.065 9.235 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.511 -16.676 7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.876 -14.168 7.313 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.234 -14.067 6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.935 -15.358 3.501 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.710 -14.824 4.656 1.00 0.00 H new ATOM 631 N GLY A 44 -0.297 -15.966 7.373 1.00 0.00 N ATOM 632 CA GLY A 44 0.966 -16.494 6.893 1.00 0.00 C ATOM 633 C GLY A 44 1.595 -15.615 5.829 1.00 0.00 C ATOM 634 O GLY A 44 2.320 -16.102 4.963 1.00 0.00 O ATOM 0 H GLY A 44 -0.223 -15.107 7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.656 -16.595 7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.808 -17.493 6.488 1.00 0.00 H new ATOM 638 N GLU A 45 1.315 -14.317 5.895 1.00 0.00 N ATOM 639 CA GLU A 45 1.857 -13.370 4.928 1.00 0.00 C ATOM 640 C GLU A 45 3.236 -12.879 5.361 1.00 0.00 C ATOM 641 O GLU A 45 3.418 -12.417 6.488 1.00 0.00 O ATOM 642 CB GLU A 45 0.910 -12.180 4.761 1.00 0.00 C ATOM 643 CG GLU A 45 0.985 -11.531 3.389 1.00 0.00 C ATOM 644 CD GLU A 45 0.010 -12.141 2.401 1.00 0.00 C ATOM 645 OE1 GLU A 45 -0.194 -13.372 2.451 1.00 0.00 O ATOM 646 OE2 GLU A 45 -0.550 -11.386 1.578 1.00 0.00 O ATOM 0 H GLU A 45 0.717 -13.898 6.607 1.00 0.00 H new ATOM 0 HA GLU A 45 1.957 -13.884 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.112 -12.512 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.141 -11.433 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.781 -10.465 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.999 -11.628 3.000 1.00 0.00 H new ATOM 653 N THR A 46 4.205 -12.984 4.458 1.00 0.00 N ATOM 654 CA THR A 46 5.568 -12.554 4.745 1.00 0.00 C ATOM 655 C THR A 46 5.829 -11.154 4.201 1.00 0.00 C ATOM 656 O THR A 46 6.883 -10.889 3.623 1.00 0.00 O ATOM 657 CB THR A 46 6.602 -13.526 4.148 1.00 0.00 C ATOM 658 OG1 THR A 46 6.309 -13.765 2.767 1.00 0.00 O ATOM 659 CG2 THR A 46 6.606 -14.845 4.906 1.00 0.00 C ATOM 0 H THR A 46 4.071 -13.363 3.521 1.00 0.00 H new ATOM 0 HA THR A 46 5.674 -12.545 5.830 1.00 0.00 H new ATOM 0 HB THR A 46 7.589 -13.071 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.972 -14.383 2.394 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.344 -15.515 4.466 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.858 -14.663 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.619 -15.303 4.845 1.00 0.00 H new ATOM 667 N SER A 47 4.862 -10.261 4.388 1.00 0.00 N ATOM 668 CA SER A 47 4.987 -8.888 3.912 1.00 0.00 C ATOM 669 C SER A 47 4.780 -7.897 5.053 1.00 0.00 C ATOM 670 O SER A 47 4.235 -8.245 6.101 1.00 0.00 O ATOM 671 CB SER A 47 3.974 -8.619 2.798 1.00 0.00 C ATOM 672 OG SER A 47 4.475 -9.038 1.540 1.00 0.00 O ATOM 0 H SER A 47 3.984 -10.464 4.866 1.00 0.00 H new ATOM 0 HA SER A 47 5.994 -8.756 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.043 -9.143 3.015 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.741 -7.555 2.764 1.00 0.00 H new ATOM 0 HG SER A 47 3.808 -8.857 0.845 1.00 0.00 H new ATOM 678 N ILE A 48 5.220 -6.661 4.842 1.00 0.00 N ATOM 679 CA ILE A 48 5.084 -5.619 5.851 1.00 0.00 C ATOM 680 C ILE A 48 3.889 -4.719 5.554 1.00 0.00 C ATOM 681 O ILE A 48 3.834 -4.065 4.513 1.00 0.00 O ATOM 682 CB ILE A 48 6.354 -4.753 5.942 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.544 -5.601 6.394 1.00 0.00 C ATOM 684 CG2 ILE A 48 6.134 -3.588 6.896 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.293 -6.360 7.678 1.00 0.00 C ATOM 0 H ILE A 48 5.674 -6.357 3.981 1.00 0.00 H new ATOM 0 HA ILE A 48 4.929 -6.123 6.805 1.00 0.00 H new ATOM 0 HB ILE A 48 6.573 -4.351 4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.794 -6.310 5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.411 -4.954 6.528 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.041 -2.985 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.310 -2.973 6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.894 -3.970 7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.179 -6.939 7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.072 -5.655 8.480 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.446 -7.033 7.543 1.00 0.00 H new ATOM 697 N VAL A 49 2.933 -4.689 6.477 1.00 0.00 N ATOM 698 CA VAL A 49 1.740 -3.868 6.316 1.00 0.00 C ATOM 699 C VAL A 49 1.645 -2.815 7.416 1.00 0.00 C ATOM 700 O VAL A 49 2.377 -2.868 8.404 1.00 0.00 O ATOM 701 CB VAL A 49 0.461 -4.726 6.330 1.00 0.00 C ATOM 702 CG1 VAL A 49 0.209 -5.332 4.958 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.560 -5.811 7.392 1.00 0.00 C ATOM 0 H VAL A 49 2.962 -5.225 7.345 1.00 0.00 H new ATOM 0 HA VAL A 49 1.825 -3.373 5.349 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.384 -4.084 6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.699 -5.935 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.091 -4.535 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.053 -5.962 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.352 -6.408 7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.415 -6.453 7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.688 -5.351 8.372 1.00 0.00 H new ATOM 713 N ILE A 50 0.737 -1.862 7.237 1.00 0.00 N ATOM 714 CA ILE A 50 0.545 -0.798 8.215 1.00 0.00 C ATOM 715 C ILE A 50 -0.543 -1.164 9.219 1.00 0.00 C ATOM 716 O ILE A 50 -1.730 -1.155 8.895 1.00 0.00 O ATOM 717 CB ILE A 50 0.172 0.532 7.534 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.344 1.048 6.696 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.237 1.564 8.575 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.504 1.552 7.526 1.00 0.00 C ATOM 0 H ILE A 50 0.123 -1.805 6.425 1.00 0.00 H new ATOM 0 HA ILE A 50 1.493 -0.676 8.738 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.675 0.358 6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.695 0.248 6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.992 1.853 6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.498 2.498 8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.099 1.197 9.132 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.592 1.737 9.261 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.298 1.902 6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.169 2.374 8.158 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.882 0.744 8.152 1.00 0.00 H new ATOM 732 N SER A 51 -0.128 -1.485 10.441 1.00 0.00 N ATOM 733 CA SER A 51 -1.067 -1.857 11.493 1.00 0.00 C ATOM 734 C SER A 51 -1.373 -0.664 12.394 1.00 0.00 C ATOM 735 O SER A 51 -1.907 -0.822 13.492 1.00 0.00 O ATOM 736 CB SER A 51 -0.501 -3.008 12.327 1.00 0.00 C ATOM 737 OG SER A 51 0.180 -2.523 13.471 1.00 0.00 O ATOM 0 H SER A 51 0.851 -1.495 10.726 1.00 0.00 H new ATOM 0 HA SER A 51 -1.994 -2.181 11.021 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.310 -3.670 12.635 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.181 -3.601 11.718 1.00 0.00 H new ATOM 0 HG SER A 51 0.531 -3.278 13.988 1.00 0.00 H new ATOM 743 N ASP A 52 -1.030 0.529 11.922 1.00 0.00 N ATOM 744 CA ASP A 52 -1.268 1.750 12.683 1.00 0.00 C ATOM 745 C ASP A 52 -1.231 2.974 11.773 1.00 0.00 C ATOM 746 O ASP A 52 -0.237 3.225 11.092 1.00 0.00 O ATOM 747 CB ASP A 52 -0.227 1.895 13.795 1.00 0.00 C ATOM 748 CG ASP A 52 -0.509 3.076 14.702 1.00 0.00 C ATOM 749 OD1 ASP A 52 -0.516 4.221 14.201 1.00 0.00 O ATOM 750 OD2 ASP A 52 -0.724 2.857 15.912 1.00 0.00 O ATOM 0 H ASP A 52 -0.586 0.677 11.016 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.260 1.682 13.130 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.205 0.981 14.389 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.762 2.010 13.350 1.00 0.00 H new ATOM 755 N VAL A 53 -2.323 3.732 11.765 1.00 0.00 N ATOM 756 CA VAL A 53 -2.416 4.930 10.939 1.00 0.00 C ATOM 757 C VAL A 53 -2.943 6.113 11.743 1.00 0.00 C ATOM 758 O VAL A 53 -4.153 6.310 11.858 1.00 0.00 O ATOM 759 CB VAL A 53 -3.332 4.702 9.722 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.513 5.994 8.940 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.770 3.605 8.831 1.00 0.00 C ATOM 0 H VAL A 53 -3.156 3.538 12.321 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.408 5.153 10.590 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.310 4.382 10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.163 5.813 8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.963 6.749 9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.543 6.347 8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.430 3.457 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.779 3.894 8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.697 2.677 9.398 1.00 0.00 H new ATOM 771 N LEU A 54 -2.026 6.899 12.299 1.00 0.00 N ATOM 772 CA LEU A 54 -2.398 8.064 13.093 1.00 0.00 C ATOM 773 C LEU A 54 -3.650 8.730 12.531 1.00 0.00 C ATOM 774 O LEU A 54 -3.632 9.338 11.461 1.00 0.00 O ATOM 775 CB LEU A 54 -1.245 9.069 13.129 1.00 0.00 C ATOM 776 CG LEU A 54 -1.120 9.901 14.407 1.00 0.00 C ATOM 777 CD1 LEU A 54 -0.740 9.017 15.584 1.00 0.00 C ATOM 778 CD2 LEU A 54 -0.099 11.013 14.221 1.00 0.00 C ATOM 0 H LEU A 54 -1.021 6.750 12.214 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.612 7.728 14.108 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.312 8.526 12.980 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.356 9.750 12.285 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.088 10.355 14.618 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.656 9.626 16.484 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.507 8.257 15.731 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.216 8.533 15.382 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.023 11.595 15.140 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.873 10.579 13.985 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.414 11.663 13.405 1.00 0.00 H new ATOM 790 N PRO A 55 -4.764 8.614 13.269 1.00 0.00 N ATOM 791 CA PRO A 55 -6.046 9.200 12.865 1.00 0.00 C ATOM 792 C PRO A 55 -6.036 10.723 12.941 1.00 0.00 C ATOM 793 O PRO A 55 -6.963 11.384 12.473 1.00 0.00 O ATOM 794 CB PRO A 55 -7.036 8.621 13.878 1.00 0.00 C ATOM 795 CG PRO A 55 -6.210 8.305 15.077 1.00 0.00 C ATOM 796 CD PRO A 55 -4.858 7.903 14.555 1.00 0.00 C ATOM 0 HA PRO A 55 -6.291 8.968 11.829 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.822 9.337 14.117 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.525 7.728 13.488 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.132 9.170 15.736 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.659 7.500 15.659 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.060 8.198 15.237 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.782 6.824 14.424 1.00 0.00 H new ATOM 804 N GLY A 56 -4.981 11.275 13.533 1.00 0.00 N ATOM 805 CA GLY A 56 -4.871 12.717 13.659 1.00 0.00 C ATOM 806 C GLY A 56 -3.496 13.228 13.279 1.00 0.00 C ATOM 807 O GLY A 56 -3.026 14.227 13.822 1.00 0.00 O ATOM 0 H GLY A 56 -4.201 10.750 13.927 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.620 13.192 13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.092 13.007 14.686 1.00 0.00 H new ATOM 811 N GLY A 57 -2.847 12.541 12.344 1.00 0.00 N ATOM 812 CA GLY A 57 -1.523 12.945 11.910 1.00 0.00 C ATOM 813 C GLY A 57 -1.406 13.024 10.401 1.00 0.00 C ATOM 814 O GLY A 57 -2.393 13.215 9.689 1.00 0.00 O ATOM 0 H GLY A 57 -3.215 11.711 11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.284 13.917 12.341 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.787 12.237 12.292 1.00 0.00 H new ATOM 818 N PRO A 58 -0.175 12.875 9.890 1.00 0.00 N ATOM 819 CA PRO A 58 0.097 12.927 8.450 1.00 0.00 C ATOM 820 C PRO A 58 -0.463 11.717 7.710 1.00 0.00 C ATOM 821 O PRO A 58 -1.079 11.854 6.654 1.00 0.00 O ATOM 822 CB PRO A 58 1.625 12.938 8.378 1.00 0.00 C ATOM 823 CG PRO A 58 2.069 12.279 9.638 1.00 0.00 C ATOM 824 CD PRO A 58 1.047 12.644 10.678 1.00 0.00 C ATOM 0 HA PRO A 58 -0.372 13.790 7.978 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.984 12.398 7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.011 13.955 8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.129 11.198 9.513 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.062 12.622 9.929 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.911 11.844 11.405 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.340 13.534 11.235 1.00 0.00 H new ATOM 832 N ALA A 59 -0.245 10.533 8.273 1.00 0.00 N ATOM 833 CA ALA A 59 -0.730 9.299 7.667 1.00 0.00 C ATOM 834 C ALA A 59 -2.228 9.373 7.394 1.00 0.00 C ATOM 835 O ALA A 59 -2.678 9.120 6.276 1.00 0.00 O ATOM 836 CB ALA A 59 -0.414 8.111 8.564 1.00 0.00 C ATOM 0 H ALA A 59 0.264 10.402 9.147 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.219 9.167 6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.782 7.196 8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.664 8.038 8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.898 8.246 9.531 1.00 0.00 H new ATOM 842 N ASP A 60 -2.996 9.722 8.421 1.00 0.00 N ATOM 843 CA ASP A 60 -4.444 9.830 8.291 1.00 0.00 C ATOM 844 C ASP A 60 -4.825 10.431 6.941 1.00 0.00 C ATOM 845 O ASP A 60 -4.880 11.651 6.787 1.00 0.00 O ATOM 846 CB ASP A 60 -5.017 10.683 9.423 1.00 0.00 C ATOM 847 CG ASP A 60 -6.235 11.476 8.992 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.344 10.902 8.987 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.079 12.669 8.659 1.00 0.00 O ATOM 0 H ASP A 60 -2.639 9.935 9.353 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.866 8.827 8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.285 10.038 10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.249 11.369 9.782 1.00 0.00 H new ATOM 854 N GLY A 61 -5.088 9.566 5.966 1.00 0.00 N ATOM 855 CA GLY A 61 -5.459 10.031 4.643 1.00 0.00 C ATOM 856 C GLY A 61 -4.510 9.538 3.568 1.00 0.00 C ATOM 857 O GLY A 61 -4.943 9.018 2.538 1.00 0.00 O ATOM 0 H GLY A 61 -5.051 8.552 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.470 9.694 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.477 11.121 4.636 1.00 0.00 H new ATOM 861 N LEU A 62 -3.214 9.703 3.805 1.00 0.00 N ATOM 862 CA LEU A 62 -2.200 9.272 2.848 1.00 0.00 C ATOM 863 C LEU A 62 -2.133 7.750 2.775 1.00 0.00 C ATOM 864 O LEU A 62 -2.210 7.165 1.693 1.00 0.00 O ATOM 865 CB LEU A 62 -0.832 9.837 3.235 1.00 0.00 C ATOM 866 CG LEU A 62 -0.755 11.355 3.397 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.443 11.740 4.252 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.681 12.034 2.037 1.00 0.00 C ATOM 0 H LEU A 62 -2.840 10.132 4.651 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.478 9.652 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.522 9.375 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.109 9.535 2.477 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.660 11.694 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.482 12.824 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.349 11.284 5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.358 11.388 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.627 13.114 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.207 11.690 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.570 11.785 1.457 1.00 0.00 H new ATOM 880 N LEU A 63 -1.989 7.113 3.932 1.00 0.00 N ATOM 881 CA LEU A 63 -1.914 5.658 4.000 1.00 0.00 C ATOM 882 C LEU A 63 -3.089 5.087 4.787 1.00 0.00 C ATOM 883 O LEU A 63 -3.838 5.827 5.425 1.00 0.00 O ATOM 884 CB LEU A 63 -0.596 5.225 4.645 1.00 0.00 C ATOM 885 CG LEU A 63 0.626 5.204 3.725 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.895 4.969 4.529 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.467 4.137 2.652 1.00 0.00 C ATOM 0 H LEU A 63 -1.922 7.581 4.836 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.959 5.270 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.386 5.894 5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.729 4.227 5.062 1.00 0.00 H new ATOM 0 HG LEU A 63 0.705 6.175 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.754 4.957 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.016 5.769 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.826 4.012 5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.345 4.136 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.362 3.160 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.421 4.350 2.056 1.00 0.00 H new ATOM 899 N GLN A 64 -3.243 3.768 4.739 1.00 0.00 N ATOM 900 CA GLN A 64 -4.326 3.099 5.449 1.00 0.00 C ATOM 901 C GLN A 64 -3.843 1.795 6.076 1.00 0.00 C ATOM 902 O GLN A 64 -2.808 1.256 5.687 1.00 0.00 O ATOM 903 CB GLN A 64 -5.492 2.821 4.499 1.00 0.00 C ATOM 904 CG GLN A 64 -5.246 1.652 3.560 1.00 0.00 C ATOM 905 CD GLN A 64 -6.531 1.047 3.030 1.00 0.00 C ATOM 906 OE1 GLN A 64 -7.442 1.764 2.614 1.00 0.00 O ATOM 907 NE2 GLN A 64 -6.612 -0.278 3.043 1.00 0.00 N ATOM 0 H GLN A 64 -2.631 3.142 4.216 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.666 3.760 6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.389 2.622 5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.690 3.715 3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.634 1.987 2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.677 0.884 4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.833 -0.833 3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.453 -0.741 2.699 1.00 0.00 H new ATOM 916 N GLU A 65 -4.600 1.295 7.048 1.00 0.00 N ATOM 917 CA GLU A 65 -4.247 0.055 7.728 1.00 0.00 C ATOM 918 C GLU A 65 -4.329 -1.132 6.773 1.00 0.00 C ATOM 919 O GLU A 65 -5.253 -1.231 5.966 1.00 0.00 O ATOM 920 CB GLU A 65 -5.170 -0.176 8.926 1.00 0.00 C ATOM 921 CG GLU A 65 -4.488 -0.867 10.096 1.00 0.00 C ATOM 922 CD GLU A 65 -5.452 -1.687 10.931 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.194 -2.505 10.348 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.465 -1.511 12.167 1.00 0.00 O ATOM 0 H GLU A 65 -5.461 1.729 7.382 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.220 0.144 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.564 0.784 9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.022 -0.776 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.697 -1.515 9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.012 -0.118 10.728 1.00 0.00 H new ATOM 931 N ASN A 66 -3.355 -2.031 6.870 1.00 0.00 N ATOM 932 CA ASN A 66 -3.316 -3.212 6.014 1.00 0.00 C ATOM 933 C ASN A 66 -2.876 -2.844 4.600 1.00 0.00 C ATOM 934 O ASN A 66 -3.387 -3.386 3.620 1.00 0.00 O ATOM 935 CB ASN A 66 -4.689 -3.884 5.975 1.00 0.00 C ATOM 936 CG ASN A 66 -5.404 -3.818 7.311 1.00 0.00 C ATOM 937 OD1 ASN A 66 -6.531 -3.330 7.401 1.00 0.00 O ATOM 938 ND2 ASN A 66 -4.751 -4.311 8.356 1.00 0.00 N ATOM 0 H ASN A 66 -2.582 -1.965 7.532 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.590 -3.910 6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.304 -3.404 5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.572 -4.927 5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.182 -4.295 9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.818 -4.706 8.235 1.00 0.00 H new ATOM 945 N ASP A 67 -1.926 -1.920 4.504 1.00 0.00 N ATOM 946 CA ASP A 67 -1.416 -1.481 3.210 1.00 0.00 C ATOM 947 C ASP A 67 -0.115 -2.199 2.866 1.00 0.00 C ATOM 948 O ASP A 67 0.968 -1.760 3.252 1.00 0.00 O ATOM 949 CB ASP A 67 -1.193 0.032 3.213 1.00 0.00 C ATOM 950 CG ASP A 67 -2.418 0.800 2.758 1.00 0.00 C ATOM 951 OD1 ASP A 67 -3.402 0.153 2.341 1.00 0.00 O ATOM 952 OD2 ASP A 67 -2.393 2.047 2.818 1.00 0.00 O ATOM 0 H ASP A 67 -1.494 -1.461 5.306 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.158 -1.730 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.919 0.354 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.354 0.274 2.561 1.00 0.00 H new ATOM 957 N ARG A 68 -0.231 -3.306 2.140 1.00 0.00 N ATOM 958 CA ARG A 68 0.936 -4.087 1.747 1.00 0.00 C ATOM 959 C ARG A 68 2.079 -3.175 1.310 1.00 0.00 C ATOM 960 O ARG A 68 2.135 -2.741 0.159 1.00 0.00 O ATOM 961 CB ARG A 68 0.575 -5.048 0.613 1.00 0.00 C ATOM 962 CG ARG A 68 0.159 -6.429 1.095 1.00 0.00 C ATOM 963 CD ARG A 68 -1.104 -6.367 1.940 1.00 0.00 C ATOM 964 NE ARG A 68 -2.167 -5.612 1.281 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.346 -5.363 1.840 1.00 0.00 C ATOM 966 NH1 ARG A 68 -3.612 -5.805 3.061 1.00 0.00 N ATOM 967 NH2 ARG A 68 -4.262 -4.669 1.176 1.00 0.00 N ATOM 0 H ARG A 68 -1.121 -3.682 1.812 1.00 0.00 H new ATOM 0 HA ARG A 68 1.264 -4.663 2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.237 -4.617 0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.431 -5.148 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.008 -7.080 0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.967 -6.871 1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.452 -7.379 2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.875 -5.907 2.901 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.994 -5.257 0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.910 -6.338 3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.518 -5.612 3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.061 -4.327 0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.167 -4.478 1.605 1.00 0.00 H new ATOM 981 N VAL A 69 2.987 -2.887 2.236 1.00 0.00 N ATOM 982 CA VAL A 69 4.128 -2.026 1.947 1.00 0.00 C ATOM 983 C VAL A 69 5.096 -2.704 0.983 1.00 0.00 C ATOM 984 O VAL A 69 5.822 -3.624 1.360 1.00 0.00 O ATOM 985 CB VAL A 69 4.884 -1.645 3.233 1.00 0.00 C ATOM 986 CG1 VAL A 69 6.007 -0.666 2.923 1.00 0.00 C ATOM 987 CG2 VAL A 69 3.926 -1.062 4.261 1.00 0.00 C ATOM 0 H VAL A 69 2.955 -3.237 3.193 1.00 0.00 H new ATOM 0 HA VAL A 69 3.733 -1.121 1.486 1.00 0.00 H new ATOM 0 HB VAL A 69 5.327 -2.547 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.530 -0.408 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.707 -1.125 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.590 0.237 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.477 -0.798 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.452 -0.170 3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.161 -1.800 4.505 1.00 0.00 H new ATOM 997 N VAL A 70 5.102 -2.242 -0.263 1.00 0.00 N ATOM 998 CA VAL A 70 5.983 -2.801 -1.282 1.00 0.00 C ATOM 999 C VAL A 70 7.379 -2.196 -1.194 1.00 0.00 C ATOM 1000 O VAL A 70 8.356 -2.899 -0.935 1.00 0.00 O ATOM 1001 CB VAL A 70 5.422 -2.568 -2.698 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.302 -3.244 -3.738 1.00 0.00 C ATOM 1003 CG2 VAL A 70 3.989 -3.071 -2.792 1.00 0.00 C ATOM 0 H VAL A 70 4.507 -1.482 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 70 6.043 -3.873 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 70 5.421 -1.497 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.891 -3.069 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.310 -2.832 -3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.337 -4.316 -3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.608 -2.899 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.963 -4.138 -2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.368 -2.537 -2.073 1.00 0.00 H new ATOM 1013 N MET A 71 7.466 -0.888 -1.411 1.00 0.00 N ATOM 1014 CA MET A 71 8.744 -0.187 -1.355 1.00 0.00 C ATOM 1015 C MET A 71 8.665 1.012 -0.415 1.00 0.00 C ATOM 1016 O MET A 71 7.605 1.617 -0.252 1.00 0.00 O ATOM 1017 CB MET A 71 9.160 0.272 -2.753 1.00 0.00 C ATOM 1018 CG MET A 71 10.368 1.195 -2.755 1.00 0.00 C ATOM 1019 SD MET A 71 10.470 2.202 -4.247 1.00 0.00 S ATOM 1020 CE MET A 71 9.638 3.694 -3.705 1.00 0.00 C ATOM 0 H MET A 71 6.667 -0.292 -1.627 1.00 0.00 H new ATOM 0 HA MET A 71 9.493 -0.879 -0.971 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.381 -0.604 -3.363 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.321 0.784 -3.223 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.323 1.848 -1.883 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.276 0.599 -2.661 1.00 0.00 H new ATOM 0 HE1 MET A 71 8.928 4.013 -4.468 1.00 0.00 H new ATOM 0 HE2 MET A 71 9.106 3.496 -2.774 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.373 4.482 -3.542 1.00 0.00 H new ATOM 1030 N VAL A 72 9.793 1.351 0.201 1.00 0.00 N ATOM 1031 CA VAL A 72 9.852 2.478 1.123 1.00 0.00 C ATOM 1032 C VAL A 72 11.107 3.312 0.892 1.00 0.00 C ATOM 1033 O VAL A 72 12.208 2.911 1.265 1.00 0.00 O ATOM 1034 CB VAL A 72 9.825 2.006 2.589 1.00 0.00 C ATOM 1035 CG1 VAL A 72 9.974 3.188 3.534 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.544 1.239 2.878 1.00 0.00 C ATOM 0 H VAL A 72 10.679 0.861 0.078 1.00 0.00 H new ATOM 0 HA VAL A 72 8.972 3.091 0.930 1.00 0.00 H new ATOM 0 HB VAL A 72 10.668 1.334 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.953 2.835 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.922 3.690 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.154 3.888 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.542 0.913 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.685 1.885 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.486 0.368 2.225 1.00 0.00 H new ATOM 1046 N ASN A 73 10.931 4.477 0.275 1.00 0.00 N ATOM 1047 CA ASN A 73 12.050 5.369 -0.006 1.00 0.00 C ATOM 1048 C ASN A 73 13.066 4.695 -0.922 1.00 0.00 C ATOM 1049 O ASN A 73 14.260 4.988 -0.866 1.00 0.00 O ATOM 1050 CB ASN A 73 12.728 5.797 1.298 1.00 0.00 C ATOM 1051 CG ASN A 73 12.138 7.075 1.863 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.580 7.892 1.130 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.259 7.254 3.173 1.00 0.00 N ATOM 0 H ASN A 73 10.025 4.825 -0.039 1.00 0.00 H new ATOM 0 HA ASN A 73 11.660 6.252 -0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.631 4.999 2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.794 5.939 1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.882 8.095 3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.729 6.551 3.743 1.00 0.00 H new ATOM 1060 N GLY A 74 12.584 3.789 -1.768 1.00 0.00 N ATOM 1061 CA GLY A 74 13.463 3.087 -2.685 1.00 0.00 C ATOM 1062 C GLY A 74 14.038 1.821 -2.082 1.00 0.00 C ATOM 1063 O GLY A 74 15.143 1.404 -2.432 1.00 0.00 O ATOM 0 H GLY A 74 11.600 3.529 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.912 2.836 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.278 3.748 -2.980 1.00 0.00 H new ATOM 1067 N THR A 75 13.289 1.208 -1.171 1.00 0.00 N ATOM 1068 CA THR A 75 13.732 -0.017 -0.516 1.00 0.00 C ATOM 1069 C THR A 75 12.638 -1.077 -0.535 1.00 0.00 C ATOM 1070 O THR A 75 11.502 -0.840 -0.123 1.00 0.00 O ATOM 1071 CB THR A 75 14.151 0.247 0.942 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.138 1.283 0.989 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.705 -1.017 1.583 1.00 0.00 C ATOM 0 H THR A 75 12.373 1.540 -0.870 1.00 0.00 H new ATOM 0 HA THR A 75 14.595 -0.380 -1.074 1.00 0.00 H new ATOM 0 HB THR A 75 13.268 0.562 1.499 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.929 1.901 1.720 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.994 -0.806 2.613 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.942 -1.795 1.573 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.577 -1.357 1.024 1.00 0.00 H new ATOM 1081 N PRO A 76 12.984 -2.278 -1.024 1.00 0.00 N ATOM 1082 CA PRO A 76 12.044 -3.400 -1.106 1.00 0.00 C ATOM 1083 C PRO A 76 11.681 -3.954 0.267 1.00 0.00 C ATOM 1084 O PRO A 76 12.548 -4.412 1.011 1.00 0.00 O ATOM 1085 CB PRO A 76 12.812 -4.445 -1.920 1.00 0.00 C ATOM 1086 CG PRO A 76 14.248 -4.126 -1.689 1.00 0.00 C ATOM 1087 CD PRO A 76 14.320 -2.632 -1.532 1.00 0.00 C ATOM 0 HA PRO A 76 11.094 -3.105 -1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.573 -5.456 -1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.559 -4.386 -2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.621 -4.631 -0.798 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.862 -4.461 -2.525 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.106 -2.338 -0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.533 -2.138 -2.480 1.00 0.00 H new ATOM 1095 N MET A 77 10.395 -3.910 0.596 1.00 0.00 N ATOM 1096 CA MET A 77 9.917 -4.410 1.880 1.00 0.00 C ATOM 1097 C MET A 77 9.321 -5.807 1.732 1.00 0.00 C ATOM 1098 O MET A 77 8.616 -6.287 2.619 1.00 0.00 O ATOM 1099 CB MET A 77 8.875 -3.457 2.468 1.00 0.00 C ATOM 1100 CG MET A 77 9.266 -1.992 2.367 1.00 0.00 C ATOM 1101 SD MET A 77 10.212 -1.426 3.793 1.00 0.00 S ATOM 1102 CE MET A 77 11.880 -1.499 3.145 1.00 0.00 C ATOM 0 H MET A 77 9.665 -3.533 -0.008 1.00 0.00 H new ATOM 0 HA MET A 77 10.768 -4.468 2.558 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.926 -3.608 1.954 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.713 -3.710 3.516 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.854 -1.838 1.462 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.366 -1.386 2.269 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.593 -1.458 3.969 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.016 -2.430 2.594 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.048 -0.654 2.477 1.00 0.00 H new ATOM 1112 N GLU A 78 9.608 -6.452 0.606 1.00 0.00 N ATOM 1113 CA GLU A 78 9.098 -7.792 0.343 1.00 0.00 C ATOM 1114 C GLU A 78 10.072 -8.853 0.847 1.00 0.00 C ATOM 1115 O GLU A 78 11.222 -8.911 0.413 1.00 0.00 O ATOM 1116 CB GLU A 78 8.849 -7.983 -1.155 1.00 0.00 C ATOM 1117 CG GLU A 78 10.047 -7.629 -2.020 1.00 0.00 C ATOM 1118 CD GLU A 78 10.061 -8.385 -3.335 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.452 -7.893 -4.308 1.00 0.00 O ATOM 1120 OE2 GLU A 78 10.679 -9.469 -3.390 1.00 0.00 O ATOM 0 H GLU A 78 10.191 -6.068 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 78 8.155 -7.905 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.572 -9.021 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.000 -7.368 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.041 -6.558 -2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.963 -7.845 -1.471 1.00 0.00 H new ATOM 1127 N ASP A 79 9.602 -9.690 1.765 1.00 0.00 N ATOM 1128 CA ASP A 79 10.430 -10.750 2.329 1.00 0.00 C ATOM 1129 C ASP A 79 11.532 -10.169 3.209 1.00 0.00 C ATOM 1130 O ASP A 79 12.682 -10.602 3.149 1.00 0.00 O ATOM 1131 CB ASP A 79 11.044 -11.595 1.212 1.00 0.00 C ATOM 1132 CG ASP A 79 11.247 -13.040 1.624 1.00 0.00 C ATOM 1133 OD1 ASP A 79 11.829 -13.273 2.704 1.00 0.00 O ATOM 1134 OD2 ASP A 79 10.823 -13.937 0.867 1.00 0.00 O ATOM 0 H ASP A 79 8.652 -9.655 2.135 1.00 0.00 H new ATOM 0 HA ASP A 79 9.794 -11.385 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.398 -11.558 0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.002 -11.165 0.920 1.00 0.00 H new ATOM 1139 N VAL A 80 11.172 -9.184 4.027 1.00 0.00 N ATOM 1140 CA VAL A 80 12.130 -8.543 4.920 1.00 0.00 C ATOM 1141 C VAL A 80 11.722 -8.716 6.378 1.00 0.00 C ATOM 1142 O VAL A 80 10.653 -9.251 6.677 1.00 0.00 O ATOM 1143 CB VAL A 80 12.266 -7.040 4.610 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.616 -6.826 3.146 1.00 0.00 C ATOM 1145 CG2 VAL A 80 10.986 -6.303 4.974 1.00 0.00 C ATOM 0 H VAL A 80 10.224 -8.813 4.089 1.00 0.00 H new ATOM 0 HA VAL A 80 13.092 -9.029 4.755 1.00 0.00 H new ATOM 0 HB VAL A 80 13.077 -6.634 5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.708 -5.758 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.562 -7.320 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.830 -7.246 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.100 -5.243 4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.155 -6.710 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.784 -6.428 6.038 1.00 0.00 H new ATOM 1155 N LEU A 81 12.579 -8.259 7.284 1.00 0.00 N ATOM 1156 CA LEU A 81 12.308 -8.362 8.714 1.00 0.00 C ATOM 1157 C LEU A 81 11.587 -7.118 9.223 1.00 0.00 C ATOM 1158 O LEU A 81 11.845 -6.005 8.762 1.00 0.00 O ATOM 1159 CB LEU A 81 13.613 -8.560 9.487 1.00 0.00 C ATOM 1160 CG LEU A 81 14.348 -9.877 9.237 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.658 -9.912 10.009 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.470 -11.059 9.621 1.00 0.00 C ATOM 0 H LEU A 81 13.467 -7.814 7.054 1.00 0.00 H new ATOM 0 HA LEU A 81 11.662 -9.225 8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.286 -7.739 9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.396 -8.485 10.552 1.00 0.00 H new ATOM 0 HG LEU A 81 14.574 -9.948 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.167 -10.857 9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.292 -9.086 9.687 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.454 -9.818 11.076 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.009 -11.988 9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.213 -10.993 10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.558 -11.044 9.024 1.00 0.00 H new ATOM 1174 N HIS A 82 10.682 -7.313 10.177 1.00 0.00 N ATOM 1175 CA HIS A 82 9.925 -6.207 10.751 1.00 0.00 C ATOM 1176 C HIS A 82 10.830 -5.007 11.014 1.00 0.00 C ATOM 1177 O HIS A 82 10.481 -3.871 10.693 1.00 0.00 O ATOM 1178 CB HIS A 82 9.247 -6.644 12.049 1.00 0.00 C ATOM 1179 CG HIS A 82 8.714 -5.503 12.861 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.354 -4.568 13.600 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.368 -5.226 12.976 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.394 -3.750 14.143 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.204 -4.168 13.750 1.00 0.00 N flip ATOM 0 H HIS A 82 10.455 -8.227 10.569 1.00 0.00 H new ATOM 0 HA HIS A 82 9.160 -5.912 10.033 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.428 -7.323 11.811 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.962 -7.205 12.651 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.573 -5.786 12.507 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.581 -2.903 14.786 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.310 -3.746 14.001 1.00 0.00 H new ATOM 1192 N SER A 83 11.994 -5.268 11.601 1.00 0.00 N ATOM 1193 CA SER A 83 12.947 -4.210 11.912 1.00 0.00 C ATOM 1194 C SER A 83 13.468 -3.555 10.636 1.00 0.00 C ATOM 1195 O SER A 83 13.737 -2.354 10.606 1.00 0.00 O ATOM 1196 CB SER A 83 14.116 -4.770 12.725 1.00 0.00 C ATOM 1197 OG SER A 83 14.962 -5.571 11.917 1.00 0.00 O ATOM 0 H SER A 83 12.299 -6.203 11.871 1.00 0.00 H new ATOM 0 HA SER A 83 12.431 -3.453 12.504 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.690 -3.949 13.156 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.734 -5.363 13.556 1.00 0.00 H new ATOM 0 HG SER A 83 15.702 -5.915 12.459 1.00 0.00 H new ATOM 1203 N PHE A 84 13.606 -4.354 9.583 1.00 0.00 N ATOM 1204 CA PHE A 84 14.095 -3.854 8.304 1.00 0.00 C ATOM 1205 C PHE A 84 13.123 -2.840 7.709 1.00 0.00 C ATOM 1206 O PHE A 84 13.534 -1.825 7.146 1.00 0.00 O ATOM 1207 CB PHE A 84 14.304 -5.012 7.326 1.00 0.00 C ATOM 1208 CG PHE A 84 14.824 -4.578 5.985 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.172 -4.314 5.802 1.00 0.00 C ATOM 1210 CD2 PHE A 84 13.965 -4.434 4.907 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.654 -3.914 4.570 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.441 -4.036 3.673 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.787 -3.774 3.504 1.00 0.00 C ATOM 0 H PHE A 84 13.386 -5.350 9.590 1.00 0.00 H new ATOM 0 HA PHE A 84 15.050 -3.357 8.477 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.002 -5.725 7.764 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.358 -5.536 7.188 1.00 0.00 H new ATOM 0 HD1 PHE A 84 16.854 -4.422 6.632 1.00 0.00 H new ATOM 0 HD2 PHE A 84 12.911 -4.635 5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.707 -3.711 4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.761 -3.930 2.840 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.160 -3.460 2.540 1.00 0.00 H new ATOM 1223 N ALA A 85 11.830 -3.122 7.837 1.00 0.00 N ATOM 1224 CA ALA A 85 10.799 -2.235 7.314 1.00 0.00 C ATOM 1225 C ALA A 85 10.816 -0.890 8.031 1.00 0.00 C ATOM 1226 O ALA A 85 10.842 0.164 7.395 1.00 0.00 O ATOM 1227 CB ALA A 85 9.429 -2.886 7.441 1.00 0.00 C ATOM 0 H ALA A 85 11.472 -3.958 8.299 1.00 0.00 H new ATOM 0 HA ALA A 85 11.009 -2.057 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.668 -2.212 7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.416 -3.819 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.221 -3.094 8.491 1.00 0.00 H new ATOM 1233 N VAL A 86 10.801 -0.933 9.360 1.00 0.00 N ATOM 1234 CA VAL A 86 10.815 0.283 10.164 1.00 0.00 C ATOM 1235 C VAL A 86 12.130 1.037 9.998 1.00 0.00 C ATOM 1236 O VAL A 86 12.153 2.267 9.982 1.00 0.00 O ATOM 1237 CB VAL A 86 10.600 -0.029 11.657 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.547 -1.128 12.115 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.783 1.227 12.495 1.00 0.00 C ATOM 0 H VAL A 86 10.779 -1.797 9.902 1.00 0.00 H new ATOM 0 HA VAL A 86 9.995 0.907 9.809 1.00 0.00 H new ATOM 0 HB VAL A 86 9.578 -0.383 11.793 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.380 -1.335 13.172 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.363 -2.032 11.535 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.578 -0.806 11.966 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.627 0.988 13.547 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.793 1.613 12.356 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.060 1.981 12.183 1.00 0.00 H new ATOM 1249 N GLN A 87 13.222 0.290 9.874 1.00 0.00 N ATOM 1250 CA GLN A 87 14.541 0.888 9.708 1.00 0.00 C ATOM 1251 C GLN A 87 14.483 2.082 8.761 1.00 0.00 C ATOM 1252 O GLN A 87 14.893 3.187 9.115 1.00 0.00 O ATOM 1253 CB GLN A 87 15.532 -0.150 9.179 1.00 0.00 C ATOM 1254 CG GLN A 87 16.969 0.109 9.604 1.00 0.00 C ATOM 1255 CD GLN A 87 17.354 -0.655 10.856 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.687 -0.557 11.886 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.434 -1.422 10.772 1.00 0.00 N ATOM 0 H GLN A 87 13.219 -0.730 9.885 1.00 0.00 H new ATOM 0 HA GLN A 87 14.878 1.238 10.684 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.231 -1.138 9.528 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.481 -0.167 8.090 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.640 -0.170 8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.106 1.176 9.778 1.00 0.00 H new ATOM 0 HE21 GLN A 87 18.957 -1.473 9.898 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.741 -1.961 11.582 1.00 0.00 H new ATOM 1266 N GLN A 88 13.971 1.851 7.557 1.00 0.00 N ATOM 1267 CA GLN A 88 13.860 2.908 6.559 1.00 0.00 C ATOM 1268 C GLN A 88 13.148 4.128 7.134 1.00 0.00 C ATOM 1269 O GLN A 88 13.517 5.268 6.849 1.00 0.00 O ATOM 1270 CB GLN A 88 13.110 2.399 5.327 1.00 0.00 C ATOM 1271 CG GLN A 88 13.702 1.130 4.736 1.00 0.00 C ATOM 1272 CD GLN A 88 15.032 1.370 4.049 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.214 2.373 3.358 1.00 0.00 O ATOM 1274 NE2 GLN A 88 15.970 0.449 4.235 1.00 0.00 N ATOM 0 H GLN A 88 13.627 0.942 7.249 1.00 0.00 H new ATOM 0 HA GLN A 88 14.868 3.203 6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.070 2.214 5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.108 3.178 4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.834 0.393 5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.999 0.705 4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.776 -0.367 4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.885 0.557 3.797 1.00 0.00 H new ATOM 1283 N LEU A 89 12.125 3.881 7.945 1.00 0.00 N ATOM 1284 CA LEU A 89 11.360 4.960 8.562 1.00 0.00 C ATOM 1285 C LEU A 89 12.239 5.787 9.494 1.00 0.00 C ATOM 1286 O LEU A 89 12.339 7.006 9.350 1.00 0.00 O ATOM 1287 CB LEU A 89 10.170 4.390 9.336 1.00 0.00 C ATOM 1288 CG LEU A 89 9.300 3.383 8.583 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.113 2.961 9.436 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.827 3.971 7.261 1.00 0.00 C ATOM 0 H LEU A 89 11.806 2.944 8.191 1.00 0.00 H new ATOM 0 HA LEU A 89 10.991 5.611 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.546 3.911 10.240 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.538 5.219 9.654 1.00 0.00 H new ATOM 0 HG LEU A 89 9.901 2.499 8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.505 2.244 8.884 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.472 2.500 10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.511 3.836 9.680 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.209 3.241 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.242 4.871 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.690 4.223 6.645 1.00 0.00 H new ATOM 1302 N ARG A 90 12.876 5.116 10.448 1.00 0.00 N ATOM 1303 CA ARG A 90 13.748 5.790 11.403 1.00 0.00 C ATOM 1304 C ARG A 90 14.906 6.481 10.689 1.00 0.00 C ATOM 1305 O ARG A 90 15.370 7.539 11.116 1.00 0.00 O ATOM 1306 CB ARG A 90 14.290 4.788 12.425 1.00 0.00 C ATOM 1307 CG ARG A 90 14.925 3.559 11.795 1.00 0.00 C ATOM 1308 CD ARG A 90 15.635 2.705 12.834 1.00 0.00 C ATOM 1309 NE ARG A 90 16.630 3.469 13.583 1.00 0.00 N ATOM 1310 CZ ARG A 90 16.349 4.166 14.678 1.00 0.00 C ATOM 1311 NH1 ARG A 90 15.111 4.195 15.150 1.00 0.00 N ATOM 1312 NH2 ARG A 90 17.309 4.835 15.305 1.00 0.00 N ATOM 0 H ARG A 90 12.805 4.107 10.580 1.00 0.00 H new ATOM 0 HA ARG A 90 13.160 6.547 11.922 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.028 5.286 13.053 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.477 4.472 13.078 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.158 2.966 11.298 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.636 3.868 11.029 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.901 2.290 13.525 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.120 1.863 12.341 1.00 0.00 H new ATOM 0 HE ARG A 90 17.593 3.467 13.247 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.371 3.681 14.672 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.898 4.731 15.991 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.263 4.814 14.946 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.092 5.370 16.146 1.00 0.00 H new ATOM 1326 N LYS A 91 15.368 5.877 9.600 1.00 0.00 N ATOM 1327 CA LYS A 91 16.471 6.434 8.826 1.00 0.00 C ATOM 1328 C LYS A 91 16.046 7.717 8.120 1.00 0.00 C ATOM 1329 O LYS A 91 16.720 8.743 8.218 1.00 0.00 O ATOM 1330 CB LYS A 91 16.965 5.413 7.798 1.00 0.00 C ATOM 1331 CG LYS A 91 17.587 4.175 8.420 1.00 0.00 C ATOM 1332 CD LYS A 91 17.621 3.015 7.439 1.00 0.00 C ATOM 1333 CE LYS A 91 18.926 2.984 6.658 1.00 0.00 C ATOM 1334 NZ LYS A 91 19.951 2.132 7.323 1.00 0.00 N ATOM 0 H LYS A 91 14.996 5.001 9.233 1.00 0.00 H new ATOM 0 HA LYS A 91 17.283 6.671 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.129 5.111 7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.698 5.890 7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.600 4.403 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.020 3.887 9.305 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.497 2.076 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.783 3.098 6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.738 2.608 5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.310 3.999 6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.825 2.137 6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.149 2.505 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.595 1.158 7.401 1.00 0.00 H new ATOM 1348 N SER A 92 14.925 7.654 7.409 1.00 0.00 N ATOM 1349 CA SER A 92 14.412 8.811 6.685 1.00 0.00 C ATOM 1350 C SER A 92 14.446 10.059 7.561 1.00 0.00 C ATOM 1351 O SER A 92 14.057 10.023 8.728 1.00 0.00 O ATOM 1352 CB SER A 92 12.982 8.548 6.209 1.00 0.00 C ATOM 1353 OG SER A 92 12.519 9.600 5.380 1.00 0.00 O ATOM 0 H SER A 92 14.354 6.813 7.319 1.00 0.00 H new ATOM 0 HA SER A 92 15.051 8.979 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.945 7.606 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.322 8.442 7.070 1.00 0.00 H new ATOM 0 HG SER A 92 11.860 10.136 5.869 1.00 0.00 H new ATOM 1359 N GLY A 93 14.916 11.163 6.989 1.00 0.00 N ATOM 1360 CA GLY A 93 14.994 12.408 7.731 1.00 0.00 C ATOM 1361 C GLY A 93 13.642 12.863 8.243 1.00 0.00 C ATOM 1362 O GLY A 93 13.269 12.572 9.379 1.00 0.00 O ATOM 0 H GLY A 93 15.244 11.218 6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.675 12.284 8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.416 13.183 7.091 1.00 0.00 H new ATOM 1366 N LYS A 94 12.905 13.583 7.403 1.00 0.00 N ATOM 1367 CA LYS A 94 11.586 14.081 7.776 1.00 0.00 C ATOM 1368 C LYS A 94 10.524 13.594 6.795 1.00 0.00 C ATOM 1369 O LYS A 94 9.399 13.283 7.188 1.00 0.00 O ATOM 1370 CB LYS A 94 11.590 15.610 7.822 1.00 0.00 C ATOM 1371 CG LYS A 94 10.221 16.215 8.083 1.00 0.00 C ATOM 1372 CD LYS A 94 10.330 17.562 8.777 1.00 0.00 C ATOM 1373 CE LYS A 94 9.000 18.300 8.772 1.00 0.00 C ATOM 1374 NZ LYS A 94 8.182 17.977 9.974 1.00 0.00 N ATOM 0 H LYS A 94 13.199 13.835 6.459 1.00 0.00 H new ATOM 0 HA LYS A 94 11.346 13.695 8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.278 15.940 8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.972 15.992 6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.688 16.333 7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.633 15.534 8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.663 17.417 9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.086 18.169 8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.181 19.374 8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.443 18.038 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.179 18.160 9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.308 16.975 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.487 18.571 10.771 1.00 0.00 H new ATOM 1388 N ILE A 95 10.888 13.531 5.519 1.00 0.00 N ATOM 1389 CA ILE A 95 9.967 13.080 4.483 1.00 0.00 C ATOM 1390 C ILE A 95 10.341 11.689 3.982 1.00 0.00 C ATOM 1391 O ILE A 95 11.516 11.391 3.767 1.00 0.00 O ATOM 1392 CB ILE A 95 9.940 14.053 3.290 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.689 15.482 3.776 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.876 13.633 2.288 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.385 15.645 4.526 1.00 0.00 C ATOM 0 H ILE A 95 11.815 13.787 5.177 1.00 0.00 H new ATOM 0 HA ILE A 95 8.976 13.046 4.936 1.00 0.00 H new ATOM 0 HB ILE A 95 10.910 14.023 2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.511 15.787 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.692 16.155 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.869 14.331 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.096 12.630 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.899 13.637 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.273 16.683 4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.554 15.372 3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.387 14.998 5.403 1.00 0.00 H new ATOM 1407 N ALA A 96 9.334 10.842 3.796 1.00 0.00 N ATOM 1408 CA ALA A 96 9.557 9.484 3.316 1.00 0.00 C ATOM 1409 C ALA A 96 8.480 9.070 2.319 1.00 0.00 C ATOM 1410 O ALA A 96 7.329 9.492 2.424 1.00 0.00 O ATOM 1411 CB ALA A 96 9.599 8.511 4.485 1.00 0.00 C ATOM 0 H ALA A 96 8.356 11.072 3.970 1.00 0.00 H new ATOM 0 HA ALA A 96 10.518 9.460 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.766 7.501 4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.409 8.787 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.651 8.547 5.023 1.00 0.00 H new ATOM 1417 N ALA A 97 8.862 8.243 1.352 1.00 0.00 N ATOM 1418 CA ALA A 97 7.928 7.772 0.336 1.00 0.00 C ATOM 1419 C ALA A 97 7.643 6.283 0.502 1.00 0.00 C ATOM 1420 O ALA A 97 8.556 5.488 0.729 1.00 0.00 O ATOM 1421 CB ALA A 97 8.474 8.055 -1.055 1.00 0.00 C ATOM 0 H ALA A 97 9.812 7.885 1.250 1.00 0.00 H new ATOM 0 HA ALA A 97 6.989 8.312 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.766 7.698 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.621 9.128 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.427 7.542 -1.183 1.00 0.00 H new ATOM 1427 N ILE A 98 6.372 5.912 0.388 1.00 0.00 N ATOM 1428 CA ILE A 98 5.968 4.519 0.525 1.00 0.00 C ATOM 1429 C ILE A 98 5.081 4.087 -0.638 1.00 0.00 C ATOM 1430 O ILE A 98 4.185 4.821 -1.055 1.00 0.00 O ATOM 1431 CB ILE A 98 5.215 4.278 1.847 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.098 4.657 3.038 1.00 0.00 C ATOM 1433 CG2 ILE A 98 4.774 2.825 1.948 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.321 4.901 4.312 1.00 0.00 C ATOM 0 H ILE A 98 5.605 6.557 0.201 1.00 0.00 H new ATOM 0 HA ILE A 98 6.881 3.924 0.523 1.00 0.00 H new ATOM 0 HB ILE A 98 4.326 4.909 1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.823 3.861 3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.664 5.555 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.243 2.670 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.113 2.587 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.649 2.176 1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.011 5.165 5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.615 5.717 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.776 3.997 4.585 1.00 0.00 H new ATOM 1446 N VAL A 99 5.336 2.890 -1.157 1.00 0.00 N ATOM 1447 CA VAL A 99 4.559 2.358 -2.270 1.00 0.00 C ATOM 1448 C VAL A 99 3.761 1.129 -1.846 1.00 0.00 C ATOM 1449 O VAL A 99 4.297 0.023 -1.773 1.00 0.00 O ATOM 1450 CB VAL A 99 5.464 1.984 -3.458 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.626 1.641 -4.681 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.433 3.116 -3.766 1.00 0.00 C ATOM 0 H VAL A 99 6.075 2.270 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 99 3.871 3.145 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 99 6.045 1.102 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.283 1.379 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.977 0.796 -4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.017 2.502 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.065 2.835 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.873 4.016 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.057 3.309 -2.893 1.00 0.00 H new ATOM 1462 N VAL A 100 2.477 1.331 -1.568 1.00 0.00 N ATOM 1463 CA VAL A 100 1.604 0.239 -1.153 1.00 0.00 C ATOM 1464 C VAL A 100 0.599 -0.106 -2.246 1.00 0.00 C ATOM 1465 O VAL A 100 0.344 0.694 -3.146 1.00 0.00 O ATOM 1466 CB VAL A 100 0.842 0.590 0.139 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.816 0.888 1.269 1.00 0.00 C ATOM 1468 CG2 VAL A 100 -0.090 1.769 -0.097 1.00 0.00 C ATOM 0 H VAL A 100 2.018 2.240 -1.623 1.00 0.00 H new ATOM 0 HA VAL A 100 2.243 -0.624 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 100 0.238 -0.270 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.260 1.134 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.439 0.013 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.448 1.731 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.621 2.004 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.492 2.635 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.810 1.514 -0.875 1.00 0.00 H new ATOM 1478 N LYS A 101 0.029 -1.303 -2.160 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.952 -1.756 -3.140 1.00 0.00 C ATOM 1480 C LYS A 101 -2.246 -2.185 -2.457 1.00 0.00 C ATOM 1481 O LYS A 101 -2.252 -3.106 -1.640 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.385 -2.919 -3.959 1.00 0.00 C ATOM 1483 CG LYS A 101 0.108 -4.077 -3.109 1.00 0.00 C ATOM 1484 CD LYS A 101 0.808 -5.129 -3.954 1.00 0.00 C ATOM 1485 CE LYS A 101 1.095 -6.388 -3.150 1.00 0.00 C ATOM 1486 NZ LYS A 101 2.313 -7.092 -3.638 1.00 0.00 N ATOM 0 H LYS A 101 0.229 -1.977 -1.422 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.173 -0.923 -3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.154 -3.281 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.438 -2.553 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.794 -3.705 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.734 -4.530 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.187 -5.379 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.742 -4.723 -4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.223 -6.127 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.239 -7.060 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.474 -7.944 -3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.181 -7.364 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.135 -6.460 -3.558 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.340 -1.513 -2.797 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.641 -1.825 -2.216 1.00 0.00 C ATOM 1502 C ARG A 102 -5.528 -2.547 -3.226 1.00 0.00 C ATOM 1503 O ARG A 102 -5.557 -2.217 -4.412 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.330 -0.546 -1.738 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.490 0.275 -0.773 1.00 0.00 C ATOM 1506 CD ARG A 102 -5.056 1.674 -0.592 1.00 0.00 C ATOM 1507 NE ARG A 102 -4.026 2.636 -0.208 1.00 0.00 N ATOM 1508 CZ ARG A 102 -4.281 3.761 0.452 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.524 4.063 0.799 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -3.290 4.585 0.766 1.00 0.00 N ATOM 0 H ARG A 102 -3.352 -0.748 -3.472 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.481 -2.484 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.578 0.068 -2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.271 -0.809 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.447 -0.229 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.467 0.340 -1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.526 1.998 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.835 1.654 0.170 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.059 2.433 -0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.288 3.431 0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.716 4.927 1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.332 4.355 0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.486 5.448 1.273 1.00 0.00 H new ATOM 1524 N PRO A 103 -6.270 -3.556 -2.747 1.00 0.00 N ATOM 1525 CA PRO A 103 -7.172 -4.346 -3.591 1.00 0.00 C ATOM 1526 C PRO A 103 -8.384 -3.544 -4.052 1.00 0.00 C ATOM 1527 O PRO A 103 -9.196 -3.104 -3.238 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.606 -5.491 -2.672 1.00 0.00 C ATOM 1529 CG PRO A 103 -7.456 -4.947 -1.293 1.00 0.00 C ATOM 1530 CD PRO A 103 -6.286 -4.004 -1.344 1.00 0.00 C ATOM 0 HA PRO A 103 -6.686 -4.679 -4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.635 -5.789 -2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.984 -6.374 -2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.361 -4.429 -0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.281 -5.748 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.414 -3.168 -0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.356 -4.502 -1.071 1.00 0.00 H new